#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1p4j s ILE 13 N 0.00 4.37 0.15 -0.39 -4.36 -1.26 -5.05 121.20 114.66 1p4j s ILE 13 Ca 0.00 -0.81 -0.18 0.00 -0.26 0.00 0.00 60.65 59.40 1p4j s ILE 13 Cb 0.00 -3.09 0.06 0.00 1.25 0.00 0.00 42.46 40.68 1p4j s ILE 13 CO 0.00 0.14 1.68 0.77 0.24 0.00 0.00 174.94 177.77 1p4j h SER 14 N 3.42 -0.32 0.00 4.36 4.64 -1.97 -2.28 113.55 121.40 1p4j h SER 14 Ca -0.47 0.10 0.00 0.00 -0.47 0.00 0.00 61.79 60.95 1p4j h SER 14 Cb 1.16 0.21 0.00 0.00 -0.31 0.00 0.00 62.40 63.47 1p4j h SER 14 CO 0.64 -0.12 0.02 1.33 -0.87 0.00 0.00 176.83 177.83 1p4j n VAL 15 N -5.28 1.87 0.86 0.95 0.24 -1.26 -2.05 118.33 113.66 1p4j n VAL 15 Ca 0.01 0.49 0.09 0.00 -2.04 0.00 0.00 64.34 62.88 1p4j n VAL 15 Cb 0.19 -1.49 0.27 0.00 -1.47 0.00 0.00 33.84 31.35 1p4j n VAL 15 CO 0.00 0.00 0.00 0.54 -2.14 0.00 0.00 176.83 175.23 1p4j n ARG 16 N -1.47 1.94 0.00 7.34 1.74 -0.86 -5.06 116.66 120.30 1p4j n ARG 16 Ca 0.00 -1.44 0.00 0.00 -0.77 0.00 0.00 57.85 55.64 1p4j n ARG 16 Cb 0.02 -1.38 0.00 0.00 -1.02 0.00 0.00 32.46 30.08 1p4j n ARG 16 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1p4j n GLY 17 N 1.20 -2.58 3.90 -0.13 0.00 -0.87 -1.70 105.19 105.01 1p4j n GLY 17 Ca 0.16 -1.82 -0.33 0.00 0.00 0.00 0.00 46.02 44.03 1p4j n GLY 17 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1p4j s LEU 18 N 0.00 4.34 -0.91 0.99 2.01 -1.26 -4.74 118.68 119.11 1p4j s LEU 18 Ca 0.00 0.32 0.00 0.00 0.01 0.00 0.00 54.13 54.46 1p4j s LEU 18 Cb 0.00 -2.65 0.31 0.00 0.01 0.00 0.00 46.19 43.86 1p4j s LEU 18 CO 0.00 0.25 1.37 0.00 1.01 0.00 0.00 176.35 178.98 1p4j n ALA 19 N 0.86 5.18 -1.67 4.21 0.00 -1.26 -3.94 120.51 123.88 1p4j n ALA 19 Ca -0.10 -4.73 -0.40 0.00 0.00 0.00 0.00 53.44 48.21 1p4j n ALA 19 Cb 0.52 -1.79 0.03 0.00 0.00 0.00 0.00 19.45 18.20 1p4j n ALA 19 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1p4j n GLY 20 N 0.59 0.24 0.08 0.00 0.00 -1.26 -4.84 105.19 100.01 1p4j n GLY 20 Ca 0.34 0.08 -0.10 0.00 0.00 0.00 0.00 46.02 46.34 1p4j n GLY 20 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 1p4j h VAL 21 N 1.52 0.91 -0.33 1.61 2.07 -2.00 -1.23 116.25 118.81 1p4j h VAL 21 Ca -0.48 -0.01 -0.02 0.00 0.82 0.00 0.00 66.70 67.01 1p4j h VAL 21 Cb 1.32 0.86 -0.01 0.00 -1.52 0.00 0.00 31.29 31.94 1p4j h VAL 21 CO 0.57 0.01 0.12 -0.33 0.02 0.00 0.00 177.57 177.96 1p4j h GLU 22 N 0.04 0.49 -0.62 1.57 3.07 -2.00 -2.63 114.58 114.51 1p4j h GLU 22 Ca 0.06 -0.09 -0.09 0.00 -0.50 0.00 0.00 59.36 58.73 1p4j h GLU 22 Cb 0.07 -0.08 -0.02 0.00 -0.84 0.00 0.00 28.75 27.88 1p4j h GLU 22 CO -0.11 0.50 0.02 -0.91 -1.40 0.00 0.00 179.01 177.12 1p4j h ASN 23 N 0.38 1.06 -0.60 1.42 4.21 -1.91 -0.11 115.58 120.02 1p4j h ASN 23 Ca 0.11 -0.29 -0.04 0.00 1.21 0.00 0.00 56.30 57.28 1p4j h ASN 23 Cb 0.20 -0.28 -0.03 0.00 -1.12 0.00 0.00 38.32 37.09 1p4j h ASN 23 CO -0.01 1.10 0.22 0.58 -1.29 0.00 0.00 177.43 178.03 1p4j h VAL 24 N 1.00 1.23 -0.31 2.81 2.07 -1.21 0.22 116.25 122.05 1p4j h VAL 24 Ca 0.18 -0.77 -0.07 0.00 0.82 0.00 0.00 66.70 66.86 1p4j h VAL 24 Cb 0.54 0.51 -0.01 0.00 -1.52 0.00 0.00 31.29 30.81 1p4j h VAL 24 CO 0.03 0.30 -0.08 0.74 0.02 0.00 0.00 177.57 178.58 1p4j h THR 25 N 0.92 1.28 -0.50 2.57 2.02 -1.19 -2.12 112.91 115.90 1p4j h THR 25 Ca 0.21 -1.12 -0.03 0.00 0.77 0.00 0.00 66.41 66.23 1p4j h THR 25 Cb 0.23 1.38 -0.02 0.00 -1.74 0.00 0.00 68.15 68.00 1p4j h THR 25 CO -0.01 0.36 0.17 -0.08 0.37 0.00 0.00 175.52 176.33 1p4j h GLU 26 N 0.37 0.76 -0.58 6.66 4.57 -0.62 -2.46 114.58 123.28 1p4j h GLU 26 Ca 0.08 -0.15 0.01 0.00 -1.18 0.00 0.00 59.36 58.11 1p4j h GLU 26 Cb 0.57 -0.12 -0.03 0.00 -0.16 0.00 0.00 28.75 29.02 1p4j h GLU 26 CO 0.03 0.70 0.38 -0.07 -1.18 0.00 0.00 179.01 178.87 1p4j h LEU 27 N 0.67 0.66 -0.41 1.64 3.38 -0.52 -2.01 115.31 118.71 1p4j h LEU 27 Ca 0.16 -0.02 -0.00 0.00 0.09 0.00 0.00 57.88 58.11 1p4j h LEU 27 Cb 0.24 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 40.81 1p4j h LEU 27 CO -0.01 0.48 0.25 0.11 0.09 0.00 0.00 178.44 179.36 1p4j h LYS 28 N 0.78 0.56 -0.63 1.13 1.57 -1.19 0.54 116.57 119.33 1p4j h LYS 28 Ca 0.21 -0.05 -0.09 0.00 -1.87 0.00 0.00 60.65 58.85 1p4j h LYS 28 Cb -0.09 -0.12 -0.02 0.00 0.08 0.00 0.00 32.23 32.08 1p4j h LYS 28 CO -0.05 0.41 0.02 1.57 -0.57 0.00 0.00 179.45 180.84 1p4j h LYS 29 N 0.54 1.09 -0.07 3.15 2.10 -1.29 -1.74 116.57 120.35 1p4j h LYS 29 Ca 0.15 -0.33 -0.10 0.00 -2.00 0.00 0.00 60.65 58.37 1p4j h LYS 29 Cb -0.00 -0.11 -0.01 0.00 -0.90 0.00 0.00 32.23 31.21 1p4j h LYS 29 CO -0.03 1.04 -0.40 -0.91 -2.00 0.00 0.00 179.45 177.16 1p4j h ASN 30 N 1.00 0.16 0.11 7.07 2.35 -1.16 0.52 115.58 125.62 1p4j h ASN 30 Ca 0.18 -0.06 -0.01 0.00 -0.55 0.00 0.00 56.30 55.86 1p4j h ASN 30 Cb 0.54 -0.04 0.00 0.00 0.05 0.00 0.00 38.32 38.87 1p4j h ASN 30 CO 0.03 0.54 -0.05 0.15 -1.65 0.00 0.00 177.43 176.45 1p4j h PHE 31 N 0.13 -0.14 -0.20 1.19 3.57 -0.52 -1.11 116.94 119.86 1p4j h PHE 31 Ca 0.01 -0.00 -0.06 0.00 3.53 0.00 0.00 57.97 61.45 1p4j h PHE 31 Cb 0.76 0.05 -0.01 0.00 2.79 0.00 0.00 35.95 39.54 1p4j h PHE 31 CO 0.01 0.03 -0.13 -0.91 -2.23 0.00 0.00 178.31 175.08 1p4j h ASN 32 N -0.29 0.30 -0.30 0.41 2.35 -1.09 -1.52 115.58 115.44 1p4j h ASN 32 Ca -0.02 -0.07 -0.02 0.00 -0.55 0.00 0.00 56.30 55.65 1p4j h ASN 32 Cb 0.24 -0.08 -0.01 0.00 0.05 0.00 0.00 38.32 38.51 1p4j h ASN 32 CO 0.03 0.46 0.10 -0.09 -1.65 0.00 0.00 177.43 176.28 1p4j h ARG 33 N 0.30 0.47 -0.34 0.81 2.43 -0.58 -2.02 114.38 115.45 1p4j h ARG 33 Ca 0.06 -0.10 -0.12 0.00 -0.81 0.00 0.00 59.98 59.01 1p4j h ARG 33 Cb 0.42 -0.07 -0.01 0.00 -0.42 0.00 0.00 29.97 29.88 1p4j h ARG 33 CO 0.02 0.50 -0.29 0.45 -1.51 0.00 0.00 179.97 179.15 1p4j h HIS 34 N 0.33 0.82 -0.71 2.20 3.86 -0.94 0.39 115.15 121.10 1p4j h HIS 34 Ca 0.10 -0.21 -0.01 0.00 -1.16 0.00 0.00 60.37 59.09 1p4j h HIS 34 Cb 0.22 -0.19 -0.03 0.00 1.06 0.00 0.00 27.41 28.47 1p4j h HIS 34 CO 0.00 0.92 0.40 1.25 0.86 0.00 0.00 177.93 181.36 1p4j h LEU 35 N 0.61 0.86 0.00 2.43 5.85 -1.14 0.84 115.31 124.76 1p4j h LEU 35 Ca 0.07 -0.06 -0.00 0.00 0.84 0.00 0.00 57.88 58.73 1p4j h LEU 35 Cb 0.80 -0.22 0.00 0.00 0.37 0.00 0.00 40.66 41.61 1p4j h LEU 35 CO 0.07 0.69 -0.00 -0.74 -0.34 0.00 0.00 178.44 178.11 1p4j h HIS 36 N 0.99 -0.00 -0.01 1.25 2.76 -1.16 -1.76 115.15 117.21 1p4j h HIS 36 Ca 0.25 -0.00 -0.24 0.00 -2.20 0.00 0.00 60.37 58.18 1p4j h HIS 36 Cb -0.00 0.00 0.01 0.00 1.55 0.00 0.00 27.41 28.97 1p4j h HIS 36 CO 0.01 -0.00 -0.97 0.74 -1.30 0.00 0.00 177.93 176.41 1p4j h PHE 37 N -0.59 0.82 0.00 5.26 0.04 -1.00 -2.24 116.94 119.24 1p4j h PHE 37 Ca -0.00 -0.44 -0.09 0.00 2.80 0.00 0.00 57.97 60.24 1p4j h PHE 37 Cb 0.00 -0.10 -0.01 0.00 2.20 0.00 0.00 35.95 38.04 1p4j h PHE 37 CO 0.00 1.26 -0.49 1.15 -0.60 0.00 0.00 178.31 179.64 1p4j h THR 38 N 0.32 1.31 0.00 -1.55 2.02 -1.05 -3.37 112.91 110.60 1p4j h THR 38 Ca -0.10 -2.17 0.00 0.00 0.77 0.00 0.00 66.41 64.91 1p4j h THR 38 Cb 1.61 2.67 0.00 0.00 -1.74 0.00 0.00 68.15 70.68 1p4j h THR 38 CO 0.18 0.45 -0.47 0.18 0.37 0.00 0.00 175.52 176.23 1p4j n LEU 39 N -4.55 0.72 -3.48 2.58 4.32 -0.10 -4.97 117.00 111.51 1p4j n LEU 39 Ca -0.18 0.31 -0.24 0.00 -0.02 0.00 0.00 56.01 55.89 1p4j n LEU 39 Cb 0.52 -0.22 0.06 0.00 -1.62 0.00 0.00 43.42 42.16 1p4j n LEU 39 CO 0.26 -0.08 -0.02 0.52 -1.22 0.00 0.00 177.39 176.84 1p4j n VAL 40 N -2.13 -7.36 -4.19 4.08 0.31 -0.84 -5.00 118.33 103.21 1p4j n VAL 40 Ca 0.04 -1.13 -0.12 0.00 -0.01 0.00 0.00 64.34 63.12 1p4j n VAL 40 Cb 0.43 -5.34 -0.10 0.00 -0.91 0.00 0.00 33.84 27.92 1p4j n VAL 40 CO 0.00 0.00 0.00 -0.54 -1.32 0.00 0.00 176.83 174.97 1p4j s LYS 41 N -5.25 1.15 0.10 5.55 -0.14 -0.68 -5.03 119.74 115.45 1p4j s LYS 41 Ca 0.45 -1.59 0.04 0.00 -1.36 0.00 0.00 55.97 53.51 1p4j s LYS 41 Cb -0.11 0.26 -0.04 0.00 -1.68 0.00 0.00 37.83 36.26 1p4j s LYS 41 CO 0.80 -0.37 -0.11 0.16 -0.76 0.00 0.00 175.35 175.08 1p4j s ASP 42 N -3.14 1.55 0.47 2.83 1.47 -1.26 -4.04 116.67 114.56 1p4j s ASP 42 Ca 0.36 -0.81 0.19 0.00 1.18 0.00 0.00 52.55 53.47 1p4j s ASP 42 Cb 0.07 -0.01 1.05 0.00 -0.34 0.00 0.00 42.92 43.70 1p4j s ASP 42 CO 0.10 -0.24 1.53 0.03 0.68 0.00 0.00 175.17 177.27 1p4j h ARG 43 N 3.55 0.00 0.00 2.11 2.47 -1.96 -1.24 114.38 119.31 1p4j h ARG 43 Ca -0.38 0.00 -0.01 0.00 -1.26 0.00 0.00 59.98 58.34 1p4j h ARG 43 Cb 1.19 0.00 -0.00 0.00 -1.65 0.00 0.00 29.97 29.51 1p4j h ARG 43 CO 0.53 0.00 -0.23 -0.91 0.56 0.00 0.00 179.97 179.92 1p4j h ASN 44 N 0.00 0.00 0.00 7.04 2.35 -2.05 -3.35 115.58 119.57 1p4j h ASN 44 Ca 0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 1p4j h ASN 44 Cb 0.68 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.05 1p4j h ASN 44 CO 0.00 0.02 0.00 1.33 -1.65 0.00 0.00 177.43 177.13 1p4j n VAL 45 N -3.02 0.00 -2.21 2.81 0.24 -0.52 -5.05 118.33 110.57 1p4j n VAL 45 Ca 0.03 -0.42 -0.41 0.00 -2.04 0.00 0.00 64.34 61.51 1p4j n VAL 45 Cb 0.54 1.13 -0.03 0.00 -1.47 0.00 0.00 33.84 34.02 1p4j n VAL 45 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1p4j s ALA 46 N -0.15 3.49 0.46 2.33 0.00 -0.88 -4.95 121.76 122.05 1p4j s ALA 46 Ca 0.00 1.16 0.07 0.00 0.00 0.00 0.00 51.96 53.19 1p4j s ALA 46 Cb 0.00 -3.45 -0.00 0.00 0.00 0.00 0.00 23.12 19.67 1p4j s ALA 46 CO 0.00 -0.52 0.39 0.95 0.00 0.00 0.00 175.76 176.58 1p4j s THR 47 N -0.89 2.35 0.42 0.00 -4.23 -1.26 -4.97 115.64 107.06 1p4j s THR 47 Ca 0.50 -1.39 0.13 0.00 -1.18 0.00 0.00 61.69 59.75 1p4j s THR 47 Cb -0.37 -2.74 0.33 0.00 1.34 0.00 0.00 72.50 71.06 1p4j s THR 47 CO 0.47 0.00 1.96 -0.65 -0.54 0.00 0.00 174.62 175.87 1p4j h PRO 48 N 0.94 0.43 -0.49 3.99 0.11 -2.00 -0.89 132.00 134.10 1p4j h PRO 48 Ca -0.40 -0.03 -0.10 0.00 0.11 0.00 0.00 66.00 65.59 1p4j h PRO 48 Cb 1.28 -0.10 -0.02 0.00 0.11 0.00 0.00 31.00 32.27 1p4j h PRO 48 CO 0.57 0.29 -0.10 -0.09 -0.21 0.00 0.00 178.00 178.46 1p4j h ARG 49 N 0.45 0.89 -0.69 1.05 2.43 -1.96 -1.13 114.38 115.40 1p4j h ARG 49 Ca 0.30 -0.30 -0.02 0.00 -0.81 0.00 0.00 59.98 59.15 1p4j h ARG 49 Cb 0.59 -0.07 -0.03 0.00 -0.42 0.00 0.00 29.97 30.04 1p4j h ARG 49 CO -0.09 0.94 0.35 -0.44 -1.51 0.00 0.00 179.97 179.23 1p4j h ASP 50 N 0.80 0.89 -0.59 -3.80 3.45 -1.56 -1.62 116.42 113.98 1p4j h ASP 50 Ca 0.13 -0.12 -0.07 0.00 0.43 0.00 0.00 57.03 57.40 1p4j h ASP 50 Cb 0.61 -0.23 -0.03 0.00 -0.56 0.00 0.00 39.33 39.13 1p4j h ASP 50 CO 0.04 0.75 0.10 1.88 -1.57 0.00 0.00 179.24 180.45 1p4j h TYR 51 N 0.96 1.06 -0.24 4.55 0.05 -1.06 -0.82 116.97 121.47 1p4j h TYR 51 Ca 0.24 -0.13 0.01 0.00 0.05 0.00 0.00 58.73 58.90 1p4j h TYR 51 Cb 0.08 -0.30 -0.02 0.00 1.01 0.00 0.00 36.73 37.51 1p4j h TYR 51 CO 0.00 0.90 0.14 -0.92 -1.05 0.00 0.00 178.16 177.22 1p4j h TYR 52 N 0.94 0.26 -0.40 4.88 3.20 -0.68 -1.42 116.97 123.75 1p4j h TYR 52 Ca 0.19 0.01 -0.06 0.00 3.14 0.00 0.00 58.73 62.01 1p4j h TYR 52 Cb 0.41 -0.08 -0.02 0.00 1.54 0.00 0.00 36.73 38.58 1p4j h TYR 52 CO 0.03 0.15 -0.00 0.74 -1.64 0.00 0.00 178.16 177.44 1p4j h PHE 53 N 0.29 0.68 -0.54 -3.82 -1.00 -0.95 0.24 116.94 111.83 1p4j h PHE 53 Ca 0.09 -0.08 -0.03 0.00 2.81 0.00 0.00 57.97 60.76 1p4j h PHE 53 Cb -0.00 -0.19 -0.02 0.00 3.61 0.00 0.00 35.95 39.34 1p4j h PHE 53 CO -0.08 0.65 0.20 0.00 -1.61 0.00 0.00 178.31 177.47 1p4j h ALA 54 N 1.39 0.70 -0.38 2.45 0.00 -0.79 -0.86 119.26 121.76 1p4j h ALA 54 Ca 0.13 -0.17 -0.06 0.00 0.00 0.00 0.00 54.91 54.81 1p4j h ALA 54 Cb 0.39 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.96 1p4j h ALA 54 CO 0.01 0.32 0.01 1.25 0.00 0.00 0.00 179.25 180.85 1p4j h LEU 55 N 0.73 0.66 -0.46 0.00 5.85 -0.88 -2.19 115.31 119.02 1p4j h LEU 55 Ca 0.18 -0.30 0.03 0.00 0.84 0.00 0.00 57.88 58.63 1p4j h LEU 55 Cb 0.22 -0.18 -0.04 0.00 0.37 0.00 0.00 40.66 41.04 1p4j h LEU 55 CO -0.01 0.80 0.24 0.00 -0.34 0.00 0.00 178.44 179.13 1p4j h ALA 56 N 0.88 0.58 -0.27 1.25 0.00 -0.66 -0.40 119.26 120.65 1p4j h ALA 56 Ca 0.11 0.01 -0.08 0.00 0.00 0.00 0.00 54.91 54.95 1p4j h ALA 56 Cb 0.45 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.14 1p4j h ALA 56 CO 0.02 -0.10 -0.16 0.45 0.00 0.00 0.00 179.25 179.46 1p4j h HIS 57 N 0.48 0.51 -0.26 0.00 3.86 -1.11 0.68 115.15 119.31 1p4j h HIS 57 Ca 0.19 -0.08 -0.03 0.00 -1.16 0.00 0.00 60.37 59.29 1p4j h HIS 57 Cb 0.08 -0.13 -0.01 0.00 1.06 0.00 0.00 27.41 28.40 1p4j h HIS 57 CO -0.09 0.61 0.03 1.15 0.86 0.00 0.00 177.93 180.49 1p4j h THR 58 N 0.43 1.24 -0.45 2.45 2.02 -0.70 -1.63 112.91 116.26 1p4j h THR 58 Ca 0.08 -0.82 -0.13 0.00 0.77 0.00 0.00 66.41 66.30 1p4j h THR 58 Cb 0.53 1.28 -0.01 0.00 -1.74 0.00 0.00 68.15 68.21 1p4j h THR 58 CO 0.03 0.26 -0.24 0.58 0.37 0.00 0.00 175.52 176.53 1p4j h VAL 59 N 0.24 1.27 -0.99 3.16 2.07 -0.91 -2.92 116.25 118.17 1p4j h VAL 59 Ca 0.08 -1.40 0.09 0.00 0.82 0.00 0.00 66.70 66.29 1p4j h VAL 59 Cb 0.36 1.20 -0.07 0.00 -1.52 0.00 0.00 31.29 31.26 1p4j h VAL 59 CO 0.01 0.48 0.63 -0.09 0.02 0.00 0.00 177.57 178.61 1p4j h ARG 60 N 0.79 1.04 -0.99 1.57 2.43 -0.74 -1.68 114.38 116.81 1p4j h ARG 60 Ca 0.10 -0.06 0.17 0.00 -0.81 0.00 0.00 59.98 59.38 1p4j h ARG 60 Cb 0.81 -0.24 -0.09 0.00 -0.42 0.00 0.00 29.97 30.04 1p4j h ARG 60 CO 0.07 0.69 0.61 -0.44 -1.51 0.00 0.00 179.97 179.39 1p4j h ASP 61 N 1.07 0.77 0.48 -3.80 3.45 -1.09 -0.30 116.42 117.01 1p4j h ASP 61 Ca 0.45 0.07 0.00 0.00 0.43 0.00 0.00 57.03 57.99 1p4j h ASP 61 Cb 0.30 -0.07 0.00 0.00 -0.56 0.00 0.00 39.33 39.00 1p4j h ASP 61 CO -0.21 0.32 0.00 1.41 -1.57 0.00 0.00 179.24 179.19 1p4j n HIS 62 N -4.68 0.48 -0.05 4.55 8.25 -0.63 -3.35 115.22 119.80 1p4j n HIS 62 Ca 0.21 0.20 -0.21 0.00 -0.26 0.00 0.00 57.72 57.67 1p4j n HIS 62 Cb 0.52 -0.83 -0.13 0.00 1.12 0.00 0.00 29.99 30.68 1p4j n HIS 62 CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26 1p4j n LEU 63 N -1.95 2.70 -0.21 2.41 4.77 -0.13 -4.45 117.00 120.13 1p4j n LEU 63 Ca 0.02 0.11 0.16 0.00 -0.03 0.00 0.00 56.01 56.27 1p4j n LEU 63 Cb 0.16 -1.04 0.48 0.00 -2.33 0.00 0.00 43.42 40.69 1p4j n LEU 63 CO 0.14 0.85 1.22 -0.37 -1.33 0.00 0.00 177.39 177.90 1p4j h VAL 64 N -0.03 0.76 0.08 4.08 -1.51 -1.54 0.35 116.25 118.45 1p4j h VAL 64 Ca -0.48 -0.16 -0.00 0.00 -1.23 0.00 0.00 66.70 64.83 1p4j h VAL 64 Cb 1.95 0.26 0.00 0.00 -2.13 0.00 0.00 31.29 31.36 1p4j h VAL 64 CO 0.00 0.08 -0.04 1.23 -1.23 0.00 0.00 177.57 177.62 1p4j h GLY 65 N 0.46 -0.12 1.76 5.19 0.00 -1.78 -1.19 103.07 107.40 1p4j h GLY 65 Ca 0.42 0.04 -0.11 0.00 0.00 0.00 0.00 47.33 47.69 1p4j h GLY 65 CO -0.16 -0.04 -0.41 3.21 0.00 0.00 0.00 176.54 179.15 1p4j h ARG 66 N -0.17 0.26 -0.20 4.80 3.08 -1.40 -2.64 114.38 118.11 1p4j h ARG 66 Ca -0.01 -0.12 -0.02 0.00 0.07 0.00 0.00 59.98 59.90 1p4j h ARG 66 Cb 0.14 -0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.18 1p4j h ARG 66 CO 0.02 0.63 0.06 2.35 -1.07 0.00 0.00 179.97 181.96 1p4j h TRP 67 N 0.22 0.33 -0.52 3.04 7.01 -0.15 -0.79 115.95 125.10 1p4j h TRP 67 Ca 0.02 -0.04 -0.05 0.00 2.11 0.00 0.00 58.89 60.94 1p4j h TRP 67 Cb 0.82 -0.10 -0.02 0.00 -2.10 0.00 0.00 29.16 27.76 1p4j h TRP 67 CO 0.02 0.41 0.13 0.82 -2.79 0.00 0.00 178.44 177.03 1p4j h ILE 68 N 0.15 1.24 -0.20 2.65 2.04 -1.18 -2.56 117.51 119.65 1p4j h ILE 68 Ca 0.07 -0.85 -0.01 0.00 1.00 0.00 0.00 64.86 65.06 1p4j h ILE 68 Cb 0.24 0.80 -0.01 0.00 -0.74 0.00 0.00 36.82 37.12 1p4j h ILE 68 CO -0.00 0.31 0.07 0.03 0.00 0.00 0.00 178.15 178.56 1p4j h ARG 69 N 0.72 0.31 -0.01 2.37 2.47 -1.38 -1.48 114.38 117.38 1p4j h ARG 69 Ca 0.16 -0.06 0.03 0.00 -1.26 0.00 0.00 59.98 58.85 1p4j h ARG 69 Cb 0.33 -0.05 -0.05 0.00 -1.65 0.00 0.00 29.97 28.56 1p4j h ARG 69 CO 0.00 0.40 -0.26 1.15 0.56 0.00 0.00 179.97 181.82 1p4j h THR 70 N 0.16 0.41 -0.71 2.04 2.02 -1.09 0.42 112.91 116.16 1p4j h THR 70 Ca 0.07 0.00 -0.01 0.00 0.77 0.00 0.00 66.41 67.23 1p4j h THR 70 Cb 0.21 0.41 -0.03 0.00 -1.74 0.00 0.00 68.15 67.00 1p4j h THR 70 CO -0.00 0.00 0.39 1.56 0.37 0.00 0.00 175.52 177.84 1p4j h GLN 71 N -0.40 0.99 -0.59 6.66 1.08 -1.41 -1.06 115.11 120.37 1p4j h GLN 71 Ca 0.06 -0.11 -0.07 0.00 -1.45 0.00 0.00 58.65 57.09 1p4j h GLN 71 Cb 0.48 -0.20 -0.02 0.00 -0.05 0.00 0.00 27.48 27.69 1p4j h GLN 71 CO -0.23 0.73 0.10 0.37 -0.95 0.00 0.00 178.83 178.84 1p4j h GLN 72 N 0.99 0.98 -0.56 1.46 5.75 -0.58 -2.20 115.11 120.96 1p4j h GLN 72 Ca 0.25 -0.26 0.05 0.00 -0.15 0.00 0.00 58.65 58.54 1p4j h GLN 72 Cb 0.03 -0.12 -0.05 0.00 1.07 0.00 0.00 27.48 28.41 1p4j h GLN 72 CO -0.04 0.93 0.29 1.25 -2.65 0.00 0.00 178.83 178.60 1p4j h HIS 73 N 0.89 0.52 -0.23 3.99 2.76 0.88 -1.30 115.15 122.66 1p4j h HIS 73 Ca 0.18 0.02 -0.06 0.00 -2.20 0.00 0.00 60.37 58.31 1p4j h HIS 73 Cb 0.42 -0.15 -0.01 0.00 1.55 0.00 0.00 27.41 29.21 1p4j h HIS 73 CO 0.03 0.25 -0.14 1.88 -1.30 0.00 0.00 177.93 178.65 1p4j h TYR 74 N 0.54 0.41 -0.28 5.26 0.05 -0.95 -0.69 116.97 121.32 1p4j h TYR 74 Ca 0.25 -0.06 -0.11 0.00 0.05 0.00 0.00 58.73 58.86 1p4j h TYR 74 Cb 0.17 -0.11 -0.01 0.00 1.01 0.00 0.00 36.73 37.78 1p4j h TYR 74 CO -0.10 0.52 -0.28 -0.92 -1.05 0.00 0.00 178.16 176.32 1p4j h TYR 75 N 0.36 0.65 0.00 4.88 3.20 -0.70 0.20 116.97 125.57 1p4j h TYR 75 Ca 0.07 -0.15 -0.05 0.00 3.14 0.00 0.00 58.73 61.73 1p4j h TYR 75 Cb 0.46 -0.15 0.00 0.00 1.54 0.00 0.00 36.73 38.58 1p4j h TYR 75 CO 0.01 0.80 -0.20 0.93 -1.64 0.00 0.00 178.16 178.06 1p4j h GLU 76 N 0.50 0.13 0.00 1.82 4.39 -0.78 -3.33 114.58 117.30 1p4j h GLU 76 Ca 0.07 -0.14 -0.01 0.00 0.34 0.00 0.00 59.36 59.62 1p4j h GLU 76 Cb 0.74 0.04 -0.00 0.00 -0.10 0.00 0.00 28.75 29.43 1p4j h GLU 76 CO 0.06 0.91 -0.31 0.87 -1.16 0.00 0.00 179.01 179.38 1p4j h LYS 77 N -0.59 0.00 -6.51 2.33 1.79 -1.19 -3.49 116.57 108.92 1p4j h LYS 77 Ca -0.03 0.00 -0.50 0.00 -2.18 0.00 0.00 60.65 57.94 1p4j h LYS 77 Cb 0.98 0.00 0.01 0.00 -1.58 0.00 0.00 32.23 31.65 1p4j h LYS 77 CO 0.04 0.02 -0.95 -3.47 -1.08 0.00 0.00 179.45 174.01 1p4j n ASP 78 N -2.99 -3.56 -4.57 0.86 2.03 0.71 -4.97 116.55 104.06 1p4j n ASP 78 Ca 0.03 -1.10 -0.29 0.00 0.52 0.00 0.00 54.79 53.94 1p4j n ASP 78 Cb 0.55 -2.79 0.14 0.00 -0.72 0.00 0.00 41.12 38.29 1p4j n ASP 78 CO 0.00 0.00 0.00 -2.16 -1.92 0.00 0.00 177.20 173.12 1p4j s PRO 79 N -6.55 1.19 0.17 -0.67 0.04 -1.26 -4.97 135.00 122.95 1p4j s PRO 79 Ca 0.35 -0.03 -0.31 0.00 0.04 0.00 0.00 61.00 61.05 1p4j s PRO 79 Cb -0.15 -1.87 -0.09 0.00 0.04 0.00 0.00 34.50 32.42 1p4j s PRO 79 CO 0.90 -2.10 1.47 0.21 0.04 0.00 0.00 177.00 177.52 1p4j s LYS 80 N -5.61 4.27 -0.04 4.56 2.20 -1.26 -4.97 119.74 118.88 1p4j s LYS 80 Ca 0.67 2.24 -0.14 0.00 -0.36 0.00 0.00 55.97 58.38 1p4j s LYS 80 Cb -0.09 -3.18 -0.05 0.00 -1.51 0.00 0.00 37.83 33.00 1p4j s LYS 80 CO 0.52 -0.49 0.36 1.03 -0.36 0.00 0.00 175.35 176.40 1p4j s ARG 81 N 0.73 3.92 -0.22 4.03 1.81 -0.13 -4.53 118.95 124.54 1p4j s ARG 81 Ca 0.65 0.30 -0.06 0.00 -1.72 0.00 0.00 55.73 54.90 1p4j s ARG 81 Cb -0.41 -3.26 -0.02 0.00 -0.45 0.00 0.00 34.95 30.81 1p4j s ARG 81 CO 0.34 0.61 0.03 0.42 -0.68 0.00 0.00 175.30 176.02 1p4j s ILE 82 N -0.77 4.06 -0.31 1.52 -1.09 -0.38 -1.59 121.20 122.65 1p4j s ILE 82 Ca 0.22 -0.27 -0.04 0.00 -2.23 0.00 0.00 60.65 58.33 1p4j s ILE 82 Cb -0.15 -2.87 0.04 0.00 -1.58 0.00 0.00 42.46 37.90 1p4j s ILE 82 CO 0.11 0.39 0.04 -0.31 -1.23 0.00 0.00 174.94 173.94 1p4j s TYR 83 N 1.32 3.23 -0.52 3.97 2.02 0.63 -0.64 117.35 127.36 1p4j s TYR 83 Ca 0.04 -1.58 -0.17 0.00 -0.37 0.00 0.00 57.07 54.99 1p4j s TYR 83 Cb -0.15 -2.18 0.08 0.00 -0.40 0.00 0.00 41.96 39.31 1p4j s TYR 83 CO 0.02 -0.75 0.55 -0.47 -1.57 0.00 0.00 175.55 173.33 1p4j s TYR 84 N 1.34 3.13 -0.18 2.71 5.04 -0.40 -0.82 117.35 128.18 1p4j s TYR 84 Ca -0.03 -0.85 -0.19 0.00 -2.44 0.00 0.00 57.07 53.57 1p4j s TYR 84 Cb -0.19 -3.55 -0.03 0.00 0.35 0.00 0.00 41.96 38.53 1p4j s TYR 84 CO 0.01 -1.01 0.52 -0.51 -1.34 0.00 0.00 175.55 173.22 1p4j s LEU 85 N 2.19 4.18 -0.09 6.97 1.02 -0.62 -1.75 118.68 130.58 1p4j s LEU 85 Ca 0.09 0.74 -0.18 0.00 0.02 0.00 0.00 54.13 54.80 1p4j s LEU 85 Cb -0.23 -2.73 0.04 0.00 0.02 0.00 0.00 46.19 43.29 1p4j s LEU 85 CO 0.08 -0.14 0.43 -0.55 0.02 0.00 0.00 176.35 176.19 1p4j s SER 86 N 1.01 -0.39 0.00 2.29 0.15 -0.94 -1.97 113.70 113.86 1p4j s SER 86 Ca 0.25 0.55 0.28 0.00 0.70 0.00 0.00 55.95 57.73 1p4j s SER 86 Cb -0.15 0.62 1.09 0.00 -1.71 0.00 0.00 66.02 65.86 1p4j s SER 86 CO 0.10 -0.34 1.77 0.18 1.20 0.00 0.00 173.24 176.14 1p4j n LEU 87 N 1.90 1.10 -3.86 3.45 4.32 -1.26 -4.15 117.00 118.51 1p4j n LEU 87 Ca -0.18 -0.33 -0.15 0.00 -0.02 0.00 0.00 56.01 55.34 1p4j n LEU 87 Cb 0.57 -0.05 -0.15 0.00 -1.62 0.00 0.00 43.42 42.16 1p4j n LEU 87 CO 0.18 0.19 -0.37 -1.61 -1.22 0.00 0.00 177.39 174.55 1p4j s GLU 88 N -2.18 0.21 -0.30 3.23 2.02 -1.26 -4.67 118.70 115.75 1p4j s GLU 88 Ca 0.35 0.00 -0.03 0.00 0.02 0.00 0.00 54.97 55.31 1p4j s GLU 88 Cb 0.21 -0.30 0.11 0.00 0.10 0.00 0.00 34.13 34.24 1p4j s GLU 88 CO 0.40 -0.04 0.17 -0.06 0.02 0.00 0.00 175.26 175.75 1p4j s PHE 89 N 0.47 0.22 -1.15 1.61 0.40 0.00 -4.61 117.98 114.93 1p4j s PHE 89 Ca -0.04 -0.85 -0.15 0.00 -0.60 0.00 0.00 56.93 55.28 1p4j s PHE 89 Cb -0.07 -0.82 0.15 0.00 0.51 0.00 0.00 43.02 42.80 1p4j s PHE 89 CO -0.01 -0.85 1.38 -0.47 0.70 0.00 0.00 175.22 175.98 1p4j s TYR 90 N 2.01 3.35 0.15 0.36 6.14 -0.41 -3.51 117.35 125.43 1p4j s TYR 90 Ca 0.10 -1.91 -0.01 0.00 0.64 0.00 0.00 57.07 55.89 1p4j s TYR 90 Cb -0.16 -4.34 -0.04 0.00 0.42 0.00 0.00 41.96 37.84 1p4j s TYR 90 CO -0.31 -1.45 1.35 0.52 0.64 0.00 0.00 175.55 176.30 1p4j h MET 91 N 7.61 0.30 0.00 4.97 2.86 -1.81 -3.41 114.93 125.45 1p4j h MET 91 Ca 0.29 -0.32 0.00 0.00 -2.06 0.00 0.00 59.70 57.61 1p4j h MET 91 Cb 0.91 0.09 0.00 0.00 0.06 0.00 0.00 31.60 32.66 1p4j h MET 91 CO 1.23 1.02 0.00 0.41 1.06 0.00 0.00 176.91 180.63 1p4j n GLY 92 N 0.88 0.05 3.84 8.32 0.00 -0.67 -4.81 105.19 112.79 1p4j n GLY 92 Ca -0.05 -0.95 -0.32 0.00 0.00 0.00 0.00 46.02 44.70 1p4j n GLY 92 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1p4j s ARG 93 N 0.00 3.93 -0.06 1.61 0.52 -1.26 -1.59 118.95 122.11 1p4j s ARG 93 Ca 0.00 1.00 0.08 0.00 -0.52 0.00 0.00 55.73 56.29 1p4j s ARG 93 Cb 0.00 -2.13 -0.12 0.00 0.52 0.00 0.00 34.95 33.21 1p4j s ARG 93 CO 0.00 -0.28 0.10 2.41 0.02 0.00 0.00 175.30 177.55 1p4j n THR 94 N -1.50 0.37 0.19 0.02 -1.04 -1.26 -4.68 114.28 106.37 1p4j n THR 94 Ca 0.07 -0.31 -0.13 0.00 -2.04 0.00 0.00 64.05 61.63 1p4j n THR 94 Cb 0.54 -0.36 -0.07 0.00 -1.82 0.00 0.00 70.33 68.62 1p4j n THR 94 CO 0.00 0.00 0.00 0.25 -0.64 0.00 0.00 175.07 174.68 1p4j h LEU 95 N 0.00 -1.08 -0.90 -4.42 5.85 -1.97 -1.24 115.31 111.55 1p4j h LEU 95 Ca -0.15 0.09 0.00 0.00 0.84 0.00 0.00 57.88 58.67 1p4j h LEU 95 Cb 1.11 0.37 -0.04 0.00 0.37 0.00 0.00 40.66 42.46 1p4j h LEU 95 CO 0.01 -0.48 0.57 -0.61 -0.34 0.00 0.00 178.44 177.58 1p4j h GLN 96 N -0.71 1.21 -0.97 1.25 4.15 -1.97 -1.96 115.11 116.11 1p4j h GLN 96 Ca -0.04 -0.09 0.02 0.00 0.77 0.00 0.00 58.65 59.31 1p4j h GLN 96 Cb 0.64 -0.26 -0.05 0.00 0.21 0.00 0.00 27.48 28.01 1p4j h GLN 96 CO -0.09 0.83 0.64 -0.97 -1.93 0.00 0.00 178.83 177.31 1p4j h ASN 97 N 1.24 1.09 -0.42 -0.69 -0.73 -1.81 -0.17 115.58 114.09 1p4j h ASN 97 Ca 0.33 -0.02 -0.05 0.00 1.87 0.00 0.00 56.30 58.42 1p4j h ASN 97 Cb -0.09 -0.26 -0.02 0.00 0.27 0.00 0.00 38.32 38.22 1p4j h ASN 97 CO -0.07 0.77 0.05 0.74 -0.37 0.00 0.00 177.43 178.55 1p4j h THR 98 N 1.27 1.25 -0.71 -3.57 2.02 -0.72 -2.10 112.91 110.36 1p4j h THR 98 Ca 0.37 -0.91 -0.02 0.00 0.77 0.00 0.00 66.41 66.61 1p4j h THR 98 Cb -0.08 1.03 -0.03 0.00 -1.74 0.00 0.00 68.15 67.33 1p4j h THR 98 CO -0.10 0.31 0.35 0.24 0.37 0.00 0.00 175.52 176.69 1p4j h MET 99 N 0.55 1.02 0.04 6.66 2.86 -0.75 -1.87 114.93 123.43 1p4j h MET 99 Ca 0.12 -0.15 -0.00 0.00 -2.06 0.00 0.00 59.70 57.62 1p4j h MET 99 Cb 0.40 -0.19 -0.00 0.00 0.06 0.00 0.00 31.60 31.87 1p4j h MET 99 CO 0.01 0.80 -0.02 0.28 1.06 0.00 0.00 176.91 179.03 1p4j h VAL 100 N 0.99 0.95 0.00 -2.22 2.07 -0.89 0.17 116.25 117.32 1p4j h VAL 100 Ca 0.25 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.77 1p4j h VAL 100 Cb 0.11 0.95 0.00 0.00 -1.52 0.00 0.00 31.29 30.82 1p4j h VAL 100 CO -0.03 0.00 0.00 0.78 0.02 0.00 0.00 177.57 178.34 1p4j h ASN 101 N -0.06 0.00 -0.23 0.57 4.21 -1.24 -2.55 115.58 116.28 1p4j h ASN 101 Ca -0.00 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.51 1p4j h ASN 101 Cb 0.05 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 37.25 1p4j h ASN 101 CO 0.00 0.00 0.00 0.18 -1.29 0.00 0.00 177.43 176.32 1p4j n LEU 102 N -2.82 2.85 -3.36 1.61 4.32 -0.72 -0.72 117.00 118.17 1p4j n LEU 102 Ca 0.01 -1.40 -0.24 0.00 -0.02 0.00 0.00 56.01 54.36 1p4j n LEU 102 Cb 0.25 -0.15 0.05 0.00 -1.62 0.00 0.00 43.42 41.96 1p4j n LEU 102 CO 0.24 0.60 0.12 0.00 -1.22 0.00 0.00 177.39 177.13 1p4j n ALA 103 N 1.02 -1.15 0.72 -1.18 0.00 -0.26 -4.91 120.51 114.75 1p4j n ALA 103 Ca 0.13 0.33 0.08 0.00 0.00 0.00 0.00 53.44 53.98 1p4j n ALA 103 Cb 0.47 -4.66 -0.04 0.00 0.00 0.00 0.00 19.45 15.22 1p4j n ALA 103 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1p4j n LEU 104 N -4.52 1.25 -0.07 0.00 4.77 0.44 -4.47 117.00 114.40 1p4j n LEU 104 Ca -0.04 -0.66 -0.08 0.00 -0.03 0.00 0.00 56.01 55.20 1p4j n LEU 104 Cb 0.58 0.00 -0.02 0.00 -2.33 0.00 0.00 43.42 41.66 1p4j n LEU 104 CO 0.58 0.26 0.67 -0.08 -1.33 0.00 0.00 177.39 177.48 1p4j h GLU 105 N 1.05 -0.25 -0.52 3.23 4.81 -1.64 -0.87 114.58 120.39 1p4j h GLU 105 Ca 0.00 0.02 -0.11 0.00 -0.13 0.00 0.00 59.36 59.14 1p4j h GLU 105 Cb 0.47 0.06 -0.02 0.00 0.63 0.00 0.00 28.75 29.89 1p4j h GLU 105 CO 0.00 -0.17 -0.11 -0.91 -0.73 0.00 0.00 179.01 177.09 1p4j h ASN 106 N -0.26 0.98 -0.41 1.04 2.35 -1.62 -1.00 115.58 116.65 1p4j h ASN 106 Ca 0.15 -0.32 -0.01 0.00 -0.55 0.00 0.00 56.30 55.57 1p4j h ASN 106 Cb 0.50 -0.27 -0.02 0.00 0.05 0.00 0.00 38.32 38.59 1p4j h ASN 106 CO -0.45 1.09 0.24 0.00 -1.65 0.00 0.00 177.43 176.67 1p4j h ALA 107 N 0.99 0.53 -0.30 -0.83 0.00 -1.60 0.65 119.26 118.70 1p4j h ALA 107 Ca 0.14 -0.07 -0.10 0.00 0.00 0.00 0.00 54.91 54.87 1p4j h ALA 107 Cb 0.66 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.28 1p4j h ALA 107 CO 0.05 0.04 -0.24 0.00 0.00 0.00 0.00 179.25 179.09 1p4j h ASP 109 N 0.51 0.42 0.09 0.00 1.82 -0.78 -0.21 116.42 118.27 1p4j h ASP 109 Ca 0.07 -0.18 -0.00 0.00 -0.39 0.00 0.00 57.03 56.52 1p4j h ASP 109 Cb 0.69 -0.11 0.00 0.00 0.68 0.00 0.00 39.33 40.59 1p4j h ASP 109 CO 0.05 0.49 -0.04 -0.08 -1.61 0.00 0.00 179.24 178.05 1p4j h GLU 110 N 0.32 -0.12 -0.50 0.28 4.57 -0.62 -0.59 114.58 117.92 1p4j h GLU 110 Ca 0.10 0.01 0.06 0.00 -1.18 0.00 0.00 59.36 58.35 1p4j h GLU 110 Cb 0.21 0.03 -0.05 0.00 -0.16 0.00 0.00 28.75 28.77 1p4j h GLU 110 CO -0.01 0.10 0.19 0.00 -1.18 0.00 0.00 179.01 178.12 1p4j h ALA 111 N 0.56 0.62 -0.20 2.92 0.00 -0.55 0.69 119.26 123.30 1p4j h ALA 111 Ca -0.01 0.06 -0.12 0.00 0.00 0.00 0.00 54.91 54.84 1p4j h ALA 111 Cb 0.28 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.07 1p4j h ALA 111 CO 0.02 -0.19 -0.38 1.79 0.00 0.00 0.00 179.25 180.49 1p4j h THR 112 N 0.38 1.30 -0.36 0.00 1.35 -1.01 -2.37 112.91 112.19 1p4j h THR 112 Ca 0.24 -1.50 -0.00 0.00 -0.55 0.00 0.00 66.41 64.59 1p4j h THR 112 Cb 0.23 1.56 -0.02 0.00 -1.73 0.00 0.00 68.15 68.19 1p4j h THR 112 CO -0.23 0.47 0.22 0.22 -0.25 0.00 0.00 175.52 175.95 1p4j h TYR 113 N 0.37 0.47 0.00 4.73 3.20 -0.09 0.15 116.97 125.80 1p4j h TYR 113 Ca 0.04 0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.91 1p4j h TYR 113 Cb 0.83 -0.16 0.00 0.00 1.54 0.00 0.00 36.73 38.95 1p4j h TYR 113 CO 0.03 0.33 0.00 1.96 -1.64 0.00 0.00 178.16 178.84 1p4j h GLN 114 N 0.47 0.00 -0.12 1.82 4.20 -0.65 0.51 115.11 121.35 1p4j h GLN 114 Ca 0.13 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.84 1p4j h GLN 114 Cb -0.00 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.78 1p4j h GLN 114 CO -0.02 0.00 0.00 1.28 -0.67 0.00 0.00 178.83 179.42 1p4j n LEU 115 N -3.06 1.86 -0.48 1.46 4.32 -0.63 -4.92 117.00 115.55 1p4j n LEU 115 Ca -0.01 -0.71 -0.04 0.00 -0.02 0.00 0.00 56.01 55.23 1p4j n LEU 115 Cb 0.20 -0.07 -0.00 0.00 -1.62 0.00 0.00 43.42 41.93 1p4j n LEU 115 CO 0.24 0.36 -0.05 0.61 -1.22 0.00 0.00 177.39 177.32 1p4j n GLY 116 N 1.20 0.21 3.29 -0.72 0.00 0.17 -5.05 105.19 104.28 1p4j n GLY 116 Ca 0.17 -0.71 -0.25 0.00 0.00 0.00 0.00 46.02 45.23 1p4j n GLY 116 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1p4j s LEU 117 N -1.20 2.27 -0.42 0.99 1.43 0.43 -5.01 118.68 117.18 1p4j s LEU 117 Ca 0.00 -0.66 -0.17 0.00 -1.03 0.00 0.00 54.13 52.27 1p4j s LEU 117 Cb -0.00 -0.95 0.02 0.00 0.03 0.00 0.00 46.19 45.29 1p4j s LEU 117 CO 0.00 0.10 0.41 -0.62 0.23 0.00 0.00 176.35 176.47 1p4j s ASP 118 N -1.77 6.18 0.36 2.29 3.68 -1.26 -3.40 116.67 122.76 1p4j s ASP 118 Ca 0.08 -0.70 0.05 0.00 2.13 0.00 0.00 52.55 54.10 1p4j s ASP 118 Cb -0.10 -2.21 0.72 0.00 -1.45 0.00 0.00 42.92 39.88 1p4j s ASP 118 CO 0.04 -0.55 1.99 -0.03 0.13 0.00 0.00 175.17 176.74 1p4j h MET 119 N 8.71 0.74 -0.57 4.34 1.85 -1.91 -1.91 114.93 126.18 1p4j h MET 119 Ca -0.27 -0.04 -0.02 0.00 -0.61 0.00 0.00 59.70 58.76 1p4j h MET 119 Cb 1.11 -0.17 -0.03 0.00 0.43 0.00 0.00 31.60 32.95 1p4j h MET 119 CO 0.78 0.49 0.26 0.93 -0.40 0.00 0.00 176.91 178.98 1p4j h GLU 120 N 0.77 0.81 -0.57 0.39 5.08 -2.00 -0.78 114.58 118.28 1p4j h GLU 120 Ca 0.27 -0.10 -0.09 0.00 -1.00 0.00 0.00 59.36 58.44 1p4j h GLU 120 Cb 0.11 -0.15 -0.02 0.00 0.50 0.00 0.00 28.75 29.19 1p4j h GLU 120 CO -0.08 0.63 0.02 1.49 -1.00 0.00 0.00 179.01 180.07 1p4j h GLU 121 N 0.80 1.00 -0.22 2.33 4.81 -1.78 -2.80 114.58 118.73 1p4j h GLU 121 Ca 0.20 -0.31 -0.09 0.00 -0.13 0.00 0.00 59.36 59.02 1p4j h GLU 121 Cb 0.10 -0.09 -0.01 0.00 0.63 0.00 0.00 28.75 29.37 1p4j h GLU 121 CO -0.02 0.99 -0.27 -0.07 -0.73 0.00 0.00 179.01 178.90 1p4j h LEU 122 N 0.89 0.42 -1.15 1.64 4.07 -1.09 -2.99 115.31 117.11 1p4j h LEU 122 Ca 0.16 -0.14 -0.06 0.00 0.08 0.00 0.00 57.88 57.92 1p4j h LEU 122 Cb 0.52 -0.12 -0.02 0.00 1.08 0.00 0.00 40.66 42.13 1p4j h LEU 122 CO 0.03 0.69 -0.03 -0.33 -1.08 0.00 0.00 178.44 177.72 1p4j h GLU 123 N 0.37 0.57 0.00 1.13 5.08 -0.91 -2.34 114.58 118.48 1p4j h GLU 123 Ca 0.05 -0.13 0.00 0.00 -1.00 0.00 0.00 59.36 58.28 1p4j h GLU 123 Cb 0.68 -0.08 0.00 0.00 0.50 0.00 0.00 28.75 29.85 1p4j h GLU 123 CO 0.05 0.61 0.00 0.39 -1.00 0.00 0.00 179.01 179.06 1p4j n GLU 124 N -4.25 0.08 0.09 2.33 -0.58 -1.12 -2.54 120.64 114.66 1p4j n GLU 124 Ca 0.01 0.38 -0.03 0.00 -0.42 0.00 0.00 57.16 57.11 1p4j n GLU 124 Cb 0.27 -1.68 -0.06 0.00 -0.57 0.00 0.00 31.44 29.40 1p4j n GLU 124 CO 0.00 0.00 0.00 0.82 -0.48 0.00 0.00 177.13 177.47 1p4j h ILE 125 N 0.00 1.36 -3.48 -3.67 2.04 -1.50 -3.46 117.51 108.81 1p4j h ILE 125 Ca 0.00 -2.93 -0.53 0.00 1.00 0.00 0.00 64.86 62.40 1p4j h ILE 125 Cb 0.23 2.67 0.08 0.00 -0.74 0.00 0.00 36.82 39.06 1p4j h ILE 125 CO 0.00 0.78 0.81 -0.70 0.00 0.00 0.00 178.15 179.03 1p4j s GLU 126 N -2.81 4.19 0.30 2.37 2.12 -1.05 -4.98 118.70 118.84 1p4j s GLU 126 Ca 0.02 2.45 -0.26 0.00 0.36 0.00 0.00 54.97 57.54 1p4j s GLU 126 Cb 0.09 -3.05 -0.10 0.00 0.26 0.00 0.00 34.13 31.33 1p4j s GLU 126 CO 0.79 -0.51 0.92 -2.00 -0.54 0.00 0.00 175.26 173.93 1p4j s GLU 127 N -0.78 4.58 0.30 4.30 2.56 -1.26 -4.97 118.70 123.44 1p4j s GLU 127 Ca 0.59 1.30 -0.29 0.00 0.00 0.00 0.00 54.97 56.58 1p4j s GLU 127 Cb -0.45 -2.86 -0.10 0.00 2.00 0.00 0.00 34.13 32.73 1p4j s GLU 127 CO 0.49 0.32 1.12 -0.51 -0.56 0.00 0.00 175.26 176.11 1p4j s ASP 128 N -1.57 7.12 -0.78 -1.70 -0.00 -1.26 -4.57 116.67 113.91 1p4j s ASP 128 Ca 0.48 2.30 -0.22 0.00 -0.00 0.00 0.00 52.55 55.11 1p4j s ASP 128 Cb -0.19 -2.62 0.08 0.00 -0.00 0.00 0.00 42.92 40.19 1p4j s ASP 128 CO 0.24 -0.25 1.08 0.00 -0.00 0.00 0.00 175.17 176.25 1p4j s ALA 129 N -1.22 3.13 -1.00 5.23 0.00 -0.62 -4.88 121.76 122.40 1p4j s ALA 129 Ca 0.47 -2.14 -0.02 0.00 0.00 0.00 0.00 51.96 50.28 1p4j s ALA 129 Cb -0.32 -4.01 0.31 0.00 0.00 0.00 0.00 23.12 19.10 1p4j s ALA 129 CO 0.41 -2.95 1.94 0.41 0.00 0.00 0.00 175.76 175.56 1p4j n GLY 130 N 5.53 5.90 1.96 0.00 0.00 -1.26 -1.68 105.19 115.65 1p4j n GLY 130 Ca 0.09 -2.50 -0.17 0.00 0.00 0.00 0.00 46.02 43.44 1p4j n GLY 130 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1p4j n LEU 131 N -0.01 6.30 -3.65 0.99 4.77 -1.23 -1.09 117.00 123.08 1p4j n LEU 131 Ca 0.50 -3.34 -0.09 0.00 -0.03 0.00 0.00 56.01 53.04 1p4j n LEU 131 Cb 0.26 -1.11 -0.02 0.00 -2.33 0.00 0.00 43.42 40.22 1p4j n LEU 131 CO 0.53 1.32 0.43 -0.83 -1.33 0.00 0.00 177.39 177.50 1p4j s GLY 132 N 0.48 -0.34 -0.13 -0.72 0.00 -1.26 -0.82 107.32 104.53 1p4j s GLY 132 Ca 0.34 0.07 0.04 0.00 0.00 0.00 0.00 44.72 45.17 1p4j s GLY 132 CO -0.04 0.02 0.30 0.70 0.00 0.00 0.00 173.10 174.08 1p4j n ASN 133 N -0.42 1.44 0.00 1.64 3.02 -1.26 -4.46 115.26 115.22 1p4j n ASN 133 Ca -0.10 0.18 0.00 0.00 -0.03 0.00 0.00 54.58 54.62 1p4j n ASN 133 Cb 0.62 -0.29 0.00 0.00 -0.61 0.00 0.00 39.78 39.50 1p4j n ASN 133 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1p4j n GLY 134 N 1.88 -0.09 0.24 7.41 0.00 -1.26 -4.93 105.19 108.44 1p4j n GLY 134 Ca -0.30 0.56 0.01 0.00 0.00 0.00 0.00 46.02 46.29 1p4j n GLY 134 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1p4j h GLY 135 N 0.00 0.84 0.87 -0.02 0.00 -1.98 0.01 103.07 102.78 1p4j h GLY 135 Ca 0.00 -0.08 -0.01 0.00 0.00 0.00 0.00 47.33 47.25 1p4j h GLY 135 CO 0.00 -0.08 0.04 -2.00 0.00 0.00 0.00 176.54 174.51 1p4j h LEU 136 N 0.33 0.16 -0.71 3.11 5.85 -1.99 -0.64 115.31 121.43 1p4j h LEU 136 Ca 0.32 -0.17 -0.11 0.00 0.84 0.00 0.00 57.88 58.77 1p4j h LEU 136 Cb 0.45 -0.04 -0.02 0.00 0.37 0.00 0.00 40.66 41.42 1p4j h LEU 136 CO -0.36 0.28 -0.16 1.23 -0.34 0.00 0.00 178.44 179.09 1p4j h GLY 137 N 0.02 0.89 1.68 3.75 0.00 -1.76 -2.93 103.07 104.72 1p4j h GLY 137 Ca 0.04 -0.72 -0.11 0.00 0.00 0.00 0.00 47.33 46.54 1p4j h GLY 137 CO -0.00 0.66 -0.39 -0.09 0.00 0.00 0.00 176.54 176.71 1p4j h ARG 138 N 0.73 0.36 -0.65 4.80 1.12 -0.91 -1.02 114.38 118.81 1p4j h ARG 138 Ca 0.11 -0.17 -0.03 0.00 -1.11 0.00 0.00 59.98 58.78 1p4j h ARG 138 Cb 0.67 -0.00 -0.03 0.00 -0.01 0.00 0.00 29.97 30.60 1p4j h ARG 138 CO 0.05 0.70 0.28 1.25 -3.11 0.00 0.00 179.97 179.14 1p4j h LEU 139 N 0.30 0.87 -0.99 3.80 5.85 -0.96 -0.78 115.31 123.41 1p4j h LEU 139 Ca 0.03 -0.16 -0.00 0.00 0.84 0.00 0.00 57.88 58.59 1p4j h LEU 139 Cb 0.82 -0.23 -0.05 0.00 0.37 0.00 0.00 40.66 41.58 1p4j h LEU 139 CO 0.07 0.79 0.58 0.00 -0.34 0.00 0.00 178.44 179.53 1p4j h ALA 140 N 1.12 1.24 -0.18 1.25 0.00 -1.34 0.19 119.26 121.53 1p4j h ALA 140 Ca 0.22 -0.10 -0.01 0.00 0.00 0.00 0.00 54.91 55.02 1p4j h ALA 140 Cb 0.17 -0.38 -0.01 0.00 0.00 0.00 0.00 17.79 17.58 1p4j h ALA 140 CO -0.02 0.66 0.05 0.00 0.00 0.00 0.00 179.25 179.94 1p4j h ALA 141 N 1.34 0.24 -0.85 0.00 0.00 -1.11 -1.73 119.26 117.15 1p4j h ALA 141 Ca 0.34 -0.13 -0.02 0.00 0.00 0.00 0.00 54.91 55.10 1p4j h ALA 141 Cb -0.07 -0.07 -0.04 0.00 0.00 0.00 0.00 17.79 17.61 1p4j h ALA 141 CO -0.07 -0.14 0.47 0.00 0.00 0.00 0.00 179.25 179.51 1p4j h PHE 143 N 1.19 0.93 -0.72 0.00 -1.00 -0.76 -1.30 116.94 115.29 1p4j h PHE 143 Ca 0.30 0.02 0.00 0.00 2.81 0.00 0.00 57.97 61.11 1p4j h PHE 143 Cb 0.03 -0.31 -0.04 0.00 3.61 0.00 0.00 35.95 39.24 1p4j h PHE 143 CO 0.01 0.58 0.47 -0.07 -1.61 0.00 0.00 178.31 177.68 1p4j h LEU 144 N 1.00 0.83 -0.32 1.54 4.07 -0.96 0.10 115.31 121.57 1p4j h LEU 144 Ca 0.27 -0.03 -0.00 0.00 0.08 0.00 0.00 57.88 58.20 1p4j h LEU 144 Cb -0.10 -0.21 -0.02 0.00 1.08 0.00 0.00 40.66 41.41 1p4j h LEU 144 CO -0.06 0.61 0.19 -0.78 -1.08 0.00 0.00 178.44 177.31 1p4j h ASP 145 N 0.97 0.39 -0.31 -0.43 3.58 -1.15 -2.40 116.42 117.07 1p4j h ASP 145 Ca 0.26 -0.07 -0.11 0.00 0.42 0.00 0.00 57.03 57.53 1p4j h ASP 145 Cb -0.10 -0.10 -0.01 0.00 1.72 0.00 0.00 39.33 40.84 1p4j h ASP 145 CO -0.05 0.34 -0.20 0.28 -2.88 0.00 0.00 179.24 176.73 1p4j h SER 146 N 0.41 0.79 -0.56 2.28 0.02 -0.75 -1.52 113.55 114.22 1p4j h SER 146 Ca 0.11 -0.27 -0.05 0.00 -0.84 0.00 0.00 61.79 60.74 1p4j h SER 146 Cb 0.03 -0.22 -0.03 0.00 0.14 0.00 0.00 62.40 62.33 1p4j h SER 146 CO -0.02 0.97 0.18 0.24 -1.14 0.00 0.00 176.83 177.06 1p4j h MET 147 N 0.69 0.91 -0.24 3.45 2.86 -0.64 0.80 114.93 122.75 1p4j h MET 147 Ca 0.10 -0.18 -0.20 0.00 -2.06 0.00 0.00 59.70 57.37 1p4j h MET 147 Cb 0.71 -0.14 0.00 0.00 0.06 0.00 0.00 31.60 32.23 1p4j h MET 147 CO 0.05 0.79 -0.61 0.00 1.06 0.00 0.00 176.91 178.20 1p4j h ALA 148 N 1.31 0.40 0.00 6.32 0.00 -1.32 -0.65 119.26 125.32 1p4j h ALA 148 Ca 0.20 -0.54 -0.06 0.00 0.00 0.00 0.00 54.91 54.51 1p4j h ALA 148 Cb 0.27 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.00 1p4j h ALA 148 CO -0.01 0.67 -0.30 1.15 0.00 0.00 0.00 179.25 180.76 1p4j h THR 149 N 0.62 1.09 -0.56 0.00 2.02 -0.89 -2.54 112.91 112.64 1p4j h THR 149 Ca -0.01 -1.06 0.00 0.00 0.77 0.00 0.00 66.41 66.12 1p4j h THR 149 Cb 1.23 1.59 0.00 0.00 -1.74 0.00 0.00 68.15 69.23 1p4j h THR 149 CO 0.13 0.29 0.00 0.18 0.37 0.00 0.00 175.52 176.49 1p4j n LEU 150 N -4.00 3.72 -2.45 2.58 4.77 0.24 -4.75 117.00 117.11 1p4j n LEU 150 Ca -0.02 -1.87 -0.20 0.00 -0.03 0.00 0.00 56.01 53.89 1p4j n LEU 150 Cb 0.36 -0.48 0.01 0.00 -2.33 0.00 0.00 43.42 40.98 1p4j n LEU 150 CO 0.37 0.72 -0.15 0.61 -1.33 0.00 0.00 177.39 177.61 1p4j n GLY 151 N 1.15 -0.43 3.84 -0.72 0.00 -0.96 0.28 105.19 108.35 1p4j n GLY 151 Ca 0.21 -0.02 -0.35 0.00 0.00 0.00 0.00 46.02 45.86 1p4j n GLY 151 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1p4j s LEU 152 N -5.83 4.34 -1.36 0.99 1.43 -0.28 -4.67 118.68 113.31 1p4j s LEU 152 Ca 0.11 1.12 -0.16 0.00 -1.03 0.00 0.00 54.13 54.17 1p4j s LEU 152 Cb -0.05 -3.29 0.07 0.00 0.03 0.00 0.00 46.19 42.95 1p4j s LEU 152 CO 0.14 0.10 1.93 0.00 0.23 0.00 0.00 176.35 178.75 1p4j n ALA 153 N 0.82 4.48 -2.67 4.21 0.00 -1.26 -4.67 120.51 121.41 1p4j n ALA 153 Ca -0.05 -3.91 -0.31 0.00 0.00 0.00 0.00 53.44 49.17 1p4j n ALA 153 Cb 0.52 -3.52 -0.09 0.00 0.00 0.00 0.00 19.45 16.36 1p4j n ALA 153 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1p4j s ALA 154 N 3.47 3.25 -0.06 0.00 0.00 -1.26 -1.25 121.76 125.91 1p4j s ALA 154 Ca 0.50 -1.06 0.01 0.00 0.00 0.00 0.00 51.96 51.41 1p4j s ALA 154 Cb 0.08 -1.23 0.02 0.00 0.00 0.00 0.00 23.12 21.99 1p4j s ALA 154 CO 0.00 0.67 -0.07 0.71 0.00 0.00 0.00 175.76 177.07 1p4j s TYR 155 N -1.20 1.09 -0.14 0.00 2.02 0.18 -4.00 117.35 115.29 1p4j s TYR 155 Ca 0.23 -0.39 -0.16 0.00 -0.37 0.00 0.00 57.07 56.38 1p4j s TYR 155 Cb -0.12 -0.89 -0.04 0.00 -0.40 0.00 0.00 41.96 40.51 1p4j s TYR 155 CO 0.15 -0.27 0.38 0.20 -1.57 0.00 0.00 175.55 174.43 1p4j s GLY 156 N 1.00 2.29 -0.11 0.71 0.00 -0.80 -1.27 107.32 109.14 1p4j s GLY 156 Ca -0.09 -0.33 0.03 0.00 0.00 0.00 0.00 44.72 44.32 1p4j s GLY 156 CO -0.00 0.61 -0.18 -0.19 0.00 0.00 0.00 173.10 173.33 1p4j s TYR 157 N 0.58 2.20 0.00 1.90 2.02 -0.72 0.27 117.35 123.60 1p4j s TYR 157 Ca 0.21 -1.00 0.00 0.00 -0.37 0.00 0.00 57.07 55.91 1p4j s TYR 157 Cb -0.14 -1.53 0.00 0.00 -0.40 0.00 0.00 41.96 39.89 1p4j s TYR 157 CO 0.07 -0.47 0.00 0.41 -1.57 0.00 0.00 175.55 173.99 1p4j n GLY 158 N 3.95 3.60 3.39 0.71 0.00 -0.86 -2.22 105.19 113.76 1p4j n GLY 158 Ca -0.20 -0.78 -0.32 0.00 0.00 0.00 0.00 46.02 44.72 1p4j n GLY 158 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1p4j s ILE 159 N -1.81 2.74 -0.93 -0.61 1.01 -1.26 -0.99 121.20 119.35 1p4j s ILE 159 Ca 0.00 -0.83 -0.18 0.00 0.00 0.00 0.00 60.65 59.64 1p4j s ILE 159 Cb 0.00 -2.06 0.14 0.00 0.01 0.00 0.00 42.46 40.55 1p4j s ILE 159 CO 0.00 0.57 1.11 -0.60 0.00 0.00 0.00 174.94 176.02 1p4j s ARG 160 N -0.39 3.62 0.30 2.79 3.52 -0.41 -4.77 118.95 123.60 1p4j s ARG 160 Ca 0.04 -1.85 -0.29 0.00 -0.13 0.00 0.00 55.73 53.50 1p4j s ARG 160 Cb -0.12 -4.88 -0.10 0.00 -1.56 0.00 0.00 34.95 28.29 1p4j s ARG 160 CO 0.02 -1.73 1.17 0.71 -0.81 0.00 0.00 175.30 174.66 1p4j s TYR 161 N 2.43 3.39 0.20 5.12 2.02 -1.26 -4.75 117.35 124.51 1p4j s TYR 161 Ca 0.32 1.60 -0.01 0.00 -0.37 0.00 0.00 57.07 58.61 1p4j s TYR 161 Cb -0.05 -3.42 0.12 0.00 -0.40 0.00 0.00 41.96 38.21 1p4j s TYR 161 CO -0.09 -1.01 1.49 1.49 -1.57 0.00 0.00 175.55 175.85 1p4j h GLU 162 N 3.70 0.41 -4.64 -0.62 4.81 -0.95 -3.41 114.58 113.88 1p4j h GLU 162 Ca -0.47 -0.30 -0.60 0.00 -0.13 0.00 0.00 59.36 57.85 1p4j h GLU 162 Cb 1.22 0.05 -0.36 0.00 0.63 0.00 0.00 28.75 30.28 1p4j h GLU 162 CO 0.67 0.92 -0.83 -0.06 -0.73 0.00 0.00 179.01 178.98 1p4j s PHE 163 N -3.77 2.21 0.00 0.92 0.40 -0.14 -4.32 117.98 113.27 1p4j s PHE 163 Ca -0.06 -1.29 0.00 0.00 -0.60 0.00 0.00 56.93 54.98 1p4j s PHE 163 Cb 0.11 -1.60 0.00 0.00 0.51 0.00 0.00 43.02 42.04 1p4j s PHE 163 CO 0.83 -0.68 0.00 0.41 0.70 0.00 0.00 175.22 176.48 1p4j n GLY 164 N 4.76 0.60 3.75 4.36 0.00 -1.23 -1.82 105.19 115.60 1p4j n GLY 164 Ca -0.16 -1.69 -0.42 0.00 0.00 0.00 0.00 46.02 43.75 1p4j n GLY 164 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 1p4j s ILE 165 N 0.76 2.02 0.65 -0.61 1.10 -0.25 -4.58 121.20 120.29 1p4j s ILE 165 Ca 0.00 0.02 -0.18 0.00 -0.51 0.00 0.00 60.65 59.98 1p4j s ILE 165 Cb 0.00 -3.01 -0.02 0.00 0.15 0.00 0.00 42.46 39.58 1p4j s ILE 165 CO 0.00 0.00 1.12 2.22 -2.11 0.00 0.00 174.94 176.17 1p4j n PHE 166 N 2.45 1.30 -2.90 3.50 1.16 -1.26 -4.58 117.46 117.13 1p4j n PHE 166 Ca 0.09 0.42 -0.41 0.00 -1.87 0.00 0.00 57.45 55.69 1p4j n PHE 166 Cb 0.37 -2.19 -0.04 0.00 -1.61 0.00 0.00 39.48 36.01 1p4j n PHE 166 CO 0.00 0.00 0.00 -0.80 -1.87 0.00 0.00 176.76 174.09 1p4j s ASN 167 N -1.39 7.21 -0.17 5.98 0.01 -0.13 -4.88 114.94 121.57 1p4j s ASN 167 Ca 0.79 1.46 -0.16 0.00 -0.71 0.00 0.00 52.86 54.23 1p4j s ASN 167 Cb -0.39 -2.49 -0.04 0.00 0.41 0.00 0.00 41.25 38.74 1p4j s ASN 167 CO 0.44 -0.11 0.41 -1.58 -1.51 0.00 0.00 177.10 174.75 1p4j s GLN 168 N 0.52 4.23 0.02 -0.60 0.74 -1.26 -1.78 119.66 121.52 1p4j s GLN 168 Ca 0.43 0.26 0.07 0.00 0.05 0.00 0.00 55.36 56.17 1p4j s GLN 168 Cb -0.20 -3.49 -0.03 0.00 1.10 0.00 0.00 33.01 30.39 1p4j s GLN 168 CO 0.23 0.05 -0.19 0.15 -0.55 0.00 0.00 175.29 174.98 1p4j s LYS 169 N 1.02 2.12 -0.27 1.67 -0.14 -0.15 -3.85 119.74 120.14 1p4j s LYS 169 Ca 0.21 -0.94 -0.06 0.00 -1.36 0.00 0.00 55.97 53.82 1p4j s LYS 169 Cb -0.15 -2.18 0.00 0.00 -1.68 0.00 0.00 37.83 33.83 1p4j s LYS 169 CO 0.08 0.56 0.04 0.42 -0.76 0.00 0.00 175.35 175.69 1p4j s ILE 170 N -0.83 3.82 -0.15 2.17 -1.09 -1.26 0.32 121.20 124.17 1p4j s ILE 170 Ca 0.13 -0.61 0.01 0.00 -2.23 0.00 0.00 60.65 57.95 1p4j s ILE 170 Cb -0.10 -2.90 0.02 0.00 -1.58 0.00 0.00 42.46 37.90 1p4j s ILE 170 CO 0.03 0.19 -0.16 0.00 -1.23 0.00 0.00 174.94 173.77 1p4j n GLY 172 N 4.61 -0.37 2.73 0.00 0.00 -1.26 -0.53 105.19 110.37 1p4j n GLY 172 Ca -0.18 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.84 1p4j n GLY 172 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1p4j n GLY 173 N -0.96 1.56 3.89 -0.02 0.00 -1.26 -5.02 105.19 103.37 1p4j n GLY 173 Ca -0.24 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.51 1p4j n GLY 173 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1p4j s TRP 174 N -3.51 3.39 0.12 1.61 0.52 0.31 -3.85 118.94 117.52 1p4j s TRP 174 Ca 0.00 0.11 -0.30 0.00 0.02 0.00 0.00 56.10 55.93 1p4j s TRP 174 Cb 0.00 -1.65 -0.06 0.00 -1.15 0.00 0.00 33.47 30.61 1p4j s TRP 174 CO 0.00 0.53 0.97 -1.14 0.02 0.00 0.00 176.95 177.34 1p4j s GLN 175 N -2.97 4.69 -0.02 4.98 0.74 -1.26 -0.25 119.66 125.56 1p4j s GLN 175 Ca 0.33 1.47 0.06 0.00 0.05 0.00 0.00 55.36 57.28 1p4j s GLN 175 Cb -0.11 -3.37 -0.01 0.00 1.10 0.00 0.00 33.01 30.62 1p4j s GLN 175 CO 0.27 0.21 -0.21 -1.64 -0.55 0.00 0.00 175.29 173.36 1p4j s MET 176 N -0.05 1.83 -0.05 1.67 -1.94 0.15 -4.90 119.30 116.02 1p4j s MET 176 Ca 0.47 -0.76 -0.02 0.00 -1.71 0.00 0.00 55.69 53.67 1p4j s MET 176 Cb -0.24 -1.72 -0.04 0.00 2.01 0.00 0.00 34.83 34.85 1p4j s MET 176 CO 0.30 0.42 0.06 -1.21 -0.01 0.00 0.00 175.02 174.58 1p4j s GLU 177 N -0.39 3.07 -0.02 2.03 8.01 -1.26 -0.98 118.70 129.15 1p4j s GLU 177 Ca 0.05 -0.42 -0.03 0.00 0.01 0.00 0.00 54.97 54.58 1p4j s GLU 177 Cb -0.09 -2.87 0.00 0.00 -4.31 0.00 0.00 34.13 26.86 1p4j s GLU 177 CO 0.00 0.68 0.07 -1.83 0.01 0.00 0.00 175.26 174.19 1p4j s GLU 178 N -1.35 0.17 0.19 1.61 -1.05 -0.73 -4.98 118.70 112.55 1p4j s GLU 178 Ca 0.18 -0.04 -0.33 0.00 -0.15 0.00 0.00 54.97 54.63 1p4j s GLU 178 Cb -0.12 0.07 -0.15 0.00 -0.44 0.00 0.00 34.13 33.50 1p4j s GLU 178 CO 0.08 -0.03 1.34 0.00 0.95 0.00 0.00 175.26 177.61 1p4j n ALA 179 N 2.66 0.25 -3.07 -0.84 0.00 -1.26 -0.96 120.51 117.30 1p4j n ALA 179 Ca -0.15 0.45 -0.44 0.00 0.00 0.00 0.00 53.44 53.29 1p4j n ALA 179 Cb 0.58 -2.18 -0.00 0.00 0.00 0.00 0.00 19.45 17.85 1p4j n ALA 179 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 1p4j s ASP 180 N 0.31 7.10 -1.51 0.00 3.68 -1.26 -4.68 116.67 120.30 1p4j s ASP 180 Ca 0.73 -3.08 -0.11 0.00 2.13 0.00 0.00 52.55 52.23 1p4j s ASP 180 Cb -0.76 -2.34 -0.01 0.00 -1.45 0.00 0.00 42.92 38.36 1p4j s ASP 180 CO 0.48 -0.64 2.59 -0.67 0.13 0.00 0.00 175.17 177.07 1p4j n ASP 181 N 4.85 6.96 0.21 -0.34 2.03 -1.26 -3.52 116.55 125.48 1p4j n ASP 181 Ca 0.31 -2.76 0.15 0.00 0.52 0.00 0.00 54.79 53.01 1p4j n ASP 181 Cb 0.42 -1.56 0.72 0.00 -0.72 0.00 0.00 41.12 39.99 1p4j n ASP 181 CO 0.00 0.00 0.00 4.11 -1.92 0.00 0.00 177.20 179.39 1p4j h TRP 182 N 5.30 0.00 -0.08 -0.67 5.08 -1.91 -2.55 115.95 121.12 1p4j h TRP 182 Ca 0.73 0.00 0.00 0.00 1.08 0.00 0.00 58.89 60.70 1p4j h TRP 182 Cb 0.42 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 26.58 1p4j h TRP 182 CO 1.68 0.00 0.00 1.28 -1.28 0.00 0.00 178.44 180.12 1p4j n LEU 183 N -2.58 2.62 -0.29 0.11 4.77 -1.26 -4.61 117.00 115.75 1p4j n LEU 183 Ca -0.01 -0.92 -0.05 0.00 -0.03 0.00 0.00 56.01 55.01 1p4j n LEU 183 Cb 0.14 -0.04 0.00 0.00 -2.33 0.00 0.00 43.42 41.20 1p4j n LEU 183 CO 0.18 0.46 0.59 -0.09 -1.33 0.00 0.00 177.39 177.20 1p4j h ARG 184 N 3.97 -0.10 -0.27 3.23 2.43 -1.84 0.12 114.38 121.92 1p4j h ARG 184 Ca 0.00 0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.18 1p4j h ARG 184 Cb 0.85 0.02 0.00 0.00 -0.42 0.00 0.00 29.97 30.42 1p4j h ARG 184 CO 0.00 -0.07 0.00 0.66 -1.51 0.00 0.00 179.97 179.05 1p4j n TYR 185 N -5.43 0.36 0.00 2.20 4.01 -1.26 -5.04 117.16 111.99 1p4j n TYR 185 Ca 0.06 -0.18 0.00 0.00 -0.16 0.00 0.00 57.90 57.62 1p4j n TYR 185 Cb 0.37 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.40 1p4j n TYR 185 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1p4j n GLY 186 N 1.16 0.58 2.97 2.72 0.00 0.03 -4.96 105.19 107.70 1p4j n GLY 186 Ca 0.15 -1.74 -0.31 0.00 0.00 0.00 0.00 46.02 44.12 1p4j n GLY 186 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1p4j s ASN 187 N -1.35 4.37 0.54 1.61 2.47 -1.26 -4.88 114.94 116.44 1p4j s ASN 187 Ca 0.00 -1.69 0.32 0.00 0.42 0.00 0.00 52.86 51.91 1p4j s ASN 187 Cb 0.00 -1.39 1.46 0.00 -1.45 0.00 0.00 41.25 39.87 1p4j s ASN 187 CO 0.00 -0.31 2.03 1.55 -3.72 0.00 0.00 177.10 176.65 1p4j h PRO 188 N 7.80 0.00 0.00 0.43 0.13 -1.99 -3.22 132.00 135.15 1p4j h PRO 188 Ca -0.12 0.00 -0.15 0.00 -0.87 0.00 0.00 66.00 64.86 1p4j h PRO 188 Cb 1.04 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.14 1p4j h PRO 188 CO 0.47 0.07 -0.71 -1.49 -0.23 0.00 0.00 178.00 176.12 1p4j h TRP 189 N 0.00 0.00 -3.56 1.56 4.06 -1.95 -3.47 115.95 112.59 1p4j h TRP 189 Ca -0.00 0.00 -0.50 0.00 2.06 0.00 0.00 58.89 60.45 1p4j h TRP 189 Cb 0.44 0.00 -0.00 0.00 -1.00 0.00 0.00 29.16 28.60 1p4j h TRP 189 CO 0.00 0.71 0.04 -1.83 -3.56 0.00 0.00 178.44 173.80 1p4j s GLU 190 N -2.93 3.75 -0.19 0.49 -1.05 -1.22 -4.31 118.70 113.25 1p4j s GLU 190 Ca 0.02 0.35 -0.01 0.00 -0.15 0.00 0.00 54.97 55.19 1p4j s GLU 190 Cb 0.09 -2.47 0.05 0.00 -0.44 0.00 0.00 34.13 31.37 1p4j s GLU 190 CO 0.77 0.05 -0.02 0.21 0.95 0.00 0.00 175.26 177.22 1p4j s LYS 191 N -3.70 1.16 0.44 -4.83 2.47 0.34 -4.95 119.74 110.67 1p4j s LYS 191 Ca 0.49 -0.57 -0.25 0.00 -1.56 0.00 0.00 55.97 54.08 1p4j s LYS 191 Cb -0.10 -2.14 -0.08 0.00 -1.46 0.00 0.00 37.83 34.05 1p4j s LYS 191 CO 0.30 -0.54 1.33 0.00 0.16 0.00 0.00 175.35 176.60 1p4j s ALA 192 N 1.67 3.18 -0.47 3.13 0.00 -1.26 -1.29 121.76 126.72 1p4j s ALA 192 Ca -0.01 1.28 0.09 0.00 0.00 0.00 0.00 51.96 53.32 1p4j s ALA 192 Cb -0.17 -3.52 0.34 0.00 0.00 0.00 0.00 23.12 19.78 1p4j s ALA 192 CO -0.07 -0.98 0.82 0.54 0.00 0.00 0.00 175.76 176.07 1p4j n ARG 193 N -0.15 1.98 0.27 0.00 5.12 0.09 -4.90 116.66 119.07 1p4j n ARG 193 Ca 0.05 -4.05 0.16 0.00 -1.93 0.00 0.00 57.85 52.08 1p4j n ARG 193 Cb 0.44 -1.94 0.77 0.00 -1.16 0.00 0.00 32.46 30.57 1p4j n ARG 193 CO 0.00 0.00 0.00 -1.00 -1.93 0.00 0.00 177.63 174.70 1p4j h PRO 194 N 3.05 0.00 0.00 5.56 0.13 -1.93 -0.22 132.00 138.58 1p4j h PRO 194 Ca 0.11 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.24 1p4j h PRO 194 Cb 0.76 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.89 1p4j h PRO 194 CO 0.65 0.00 0.00 1.05 -0.23 0.00 0.00 178.00 179.47 1p4j h GLU 195 N 0.00 0.00 -0.48 0.86 9.09 -1.94 -2.97 114.58 119.14 1p4j h GLU 195 Ca 0.05 0.00 -0.08 0.00 0.05 0.00 0.00 59.36 59.38 1p4j h GLU 195 Cb 0.83 0.00 -0.05 0.00 -1.65 0.00 0.00 28.75 27.88 1p4j h GLU 195 CO -0.00 0.00 0.07 1.19 0.05 0.00 0.00 179.01 180.32 1p4j n PHE 196 N -2.88 1.65 -1.87 2.06 0.99 -0.09 -5.01 117.46 112.31 1p4j n PHE 196 Ca 0.01 -1.02 -0.41 0.00 -0.00 0.00 0.00 57.45 56.03 1p4j n PHE 196 Cb 0.30 -0.49 -0.01 0.00 -1.00 0.00 0.00 39.48 38.28 1p4j n PHE 196 CO 0.00 0.00 0.00 0.99 -0.00 0.00 0.00 176.76 177.75 1p4j s THR 197 N -2.91 2.24 0.09 4.37 2.01 -1.12 -4.70 115.64 115.61 1p4j s THR 197 Ca 0.49 0.22 0.07 0.00 0.31 0.00 0.00 61.69 62.79 1p4j s THR 197 Cb 0.39 -3.14 -0.03 0.00 0.01 0.00 0.00 72.50 69.73 1p4j s THR 197 CO 0.11 0.05 -0.19 -0.76 -0.69 0.00 0.00 174.62 173.13 1p4j s LEU 198 N -1.42 2.28 0.12 4.42 1.02 -0.55 -4.94 118.68 119.61 1p4j s LEU 198 Ca 0.56 -0.65 -0.20 0.00 0.02 0.00 0.00 54.13 53.86 1p4j s LEU 198 Cb -0.45 -0.79 -0.07 0.00 0.02 0.00 0.00 46.19 44.89 1p4j s LEU 198 CO 0.55 0.03 0.63 -2.16 0.02 0.00 0.00 176.35 175.43 1p4j s PRO 199 N -1.79 4.26 -0.04 1.29 0.04 -1.26 0.09 135.00 137.59 1p4j s PRO 199 Ca 0.04 0.82 0.06 0.00 0.04 0.00 0.00 61.00 61.96 1p4j s PRO 199 Cb -0.10 -3.16 -0.01 0.00 0.04 0.00 0.00 34.50 31.27 1p4j s PRO 199 CO 0.03 0.58 -0.22 0.08 0.04 0.00 0.00 177.00 177.51 1p4j s VAL 200 N -1.21 1.76 -0.01 -0.36 1.01 0.63 -4.86 120.40 117.36 1p4j s VAL 200 Ca 0.33 -0.92 -0.01 0.00 0.00 0.00 0.00 61.98 61.39 1p4j s VAL 200 Cb -0.19 -1.49 -0.04 0.00 0.00 0.00 0.00 36.38 34.66 1p4j s VAL 200 CO 0.21 0.50 0.08 -1.00 0.00 0.00 0.00 175.10 174.89 1p4j s HIS 201 N -0.17 3.29 0.04 5.22 3.76 -1.26 -0.94 115.29 125.23 1p4j s HIS 201 Ca -0.01 0.21 -0.00 0.00 -0.15 0.00 0.00 55.06 55.11 1p4j s HIS 201 Cb -0.12 -1.74 -0.03 0.00 1.11 0.00 0.00 32.58 31.80 1p4j s HIS 201 CO 0.02 0.55 -0.04 -0.06 -0.85 0.00 0.00 174.74 174.37 1p4j s PHE 202 N -1.19 0.47 0.00 1.40 0.40 -0.41 -4.96 117.98 113.68 1p4j s PHE 202 Ca 0.23 -0.84 0.00 0.00 -0.60 0.00 0.00 56.93 55.72 1p4j s PHE 202 Cb -0.12 -0.33 0.00 0.00 0.51 0.00 0.00 43.02 43.08 1p4j s PHE 202 CO 0.14 -0.28 0.00 0.66 0.70 0.00 0.00 175.22 176.44 1p4j n TYR 203 N 0.70 0.00 -4.21 0.36 4.01 0.36 -0.68 117.16 117.70 1p4j n TYR 203 Ca -0.18 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.56 1p4j n TYR 203 Cb 0.59 0.02 0.00 0.00 -0.31 0.00 0.00 39.34 39.64 1p4j n TYR 203 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1p4j n GLY 204 N 0.00 -1.00 3.49 2.72 0.00 -1.21 -4.58 105.19 104.61 1p4j n GLY 204 Ca 0.00 -1.21 -0.10 0.00 0.00 0.00 0.00 46.02 44.71 1p4j n GLY 204 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1p4j s ARG 205 N 0.00 1.33 -0.17 1.61 1.70 -0.09 -4.87 118.95 118.47 1p4j s ARG 205 Ca 0.00 -0.89 -0.08 0.00 -0.47 0.00 0.00 55.73 54.29 1p4j s ARG 205 Cb 0.00 0.50 -0.04 0.00 -0.57 0.00 0.00 34.95 34.84 1p4j s ARG 205 CO 0.00 -0.56 0.10 0.08 -1.08 0.00 0.00 175.30 173.85 1p4j s VAL 206 N -3.88 5.18 -0.17 4.99 1.01 -1.26 -0.94 120.40 125.33 1p4j s VAL 206 Ca 0.10 0.10 -0.01 0.00 0.00 0.00 0.00 61.98 62.17 1p4j s VAL 206 Cb -0.00 -3.32 -0.01 0.00 0.00 0.00 0.00 36.38 33.05 1p4j s VAL 206 CO -0.03 0.50 -0.12 -1.61 0.00 0.00 0.00 175.10 173.84 1p4j s GLU 207 N -0.05 3.31 -0.43 2.72 2.02 0.11 -4.93 118.70 121.46 1p4j s GLU 207 Ca 0.09 -0.70 -0.15 0.00 0.02 0.00 0.00 54.97 54.23 1p4j s GLU 207 Cb -0.12 -2.73 0.04 0.00 0.10 0.00 0.00 34.13 31.42 1p4j s GLU 207 CO 0.00 0.01 0.32 -1.01 0.02 0.00 0.00 175.26 174.61 1p4j s HIS 208 N 0.86 3.24 0.00 1.61 3.76 -1.26 0.51 115.29 124.00 1p4j s HIS 208 Ca -0.03 -0.71 0.00 0.00 -0.15 0.00 0.00 55.06 54.16 1p4j s HIS 208 Cb -0.15 -2.76 0.00 0.00 1.11 0.00 0.00 32.58 30.78 1p4j s HIS 208 CO 0.00 -0.66 0.00 0.25 -0.85 0.00 0.00 174.74 173.48 1p4j n THR 209 N 5.16 0.00 -0.13 1.30 -2.24 -0.66 -5.00 114.28 112.71 1p4j n THR 209 Ca -0.11 0.00 -0.04 0.00 -2.27 0.00 0.00 64.05 61.62 1p4j n THR 209 Cb 0.46 -0.63 0.04 0.00 -2.10 0.00 0.00 70.33 68.10 1p4j n THR 209 CO 0.00 0.00 0.00 0.77 -0.57 0.00 0.00 175.07 175.27 1p4j h SER 210 N 0.00 0.07 -2.13 3.42 4.64 -2.03 -3.32 113.55 114.21 1p4j h SER 210 Ca 0.00 0.06 -0.58 0.00 -0.47 0.00 0.00 61.79 60.80 1p4j h SER 210 Cb 0.00 0.07 -0.41 0.00 -0.31 0.00 0.00 62.40 61.75 1p4j h SER 210 CO 0.00 0.07 -0.82 1.67 -0.87 0.00 0.00 176.83 176.88 1p4j n GLN 211 N -5.06 1.69 0.00 4.77 -0.06 -1.26 -5.08 117.38 112.38 1p4j n GLN 211 Ca 0.03 -4.02 0.00 0.00 -2.00 0.00 0.00 57.00 51.02 1p4j n GLN 211 Cb 0.18 -1.80 0.00 0.00 -4.06 0.00 0.00 30.24 24.57 1p4j n GLN 211 CO 0.00 0.00 0.00 0.41 -0.20 0.00 0.00 177.06 177.27 1p4j n GLY 212 N 1.15 2.96 3.82 1.69 0.00 -1.25 -5.06 105.19 108.51 1p4j n GLY 212 Ca 0.26 -1.90 -0.35 0.00 0.00 0.00 0.00 46.02 44.04 1p4j n GLY 212 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1p4j s ALA 213 N -2.72 3.29 -0.03 4.61 0.00 -1.26 -1.66 121.76 123.99 1p4j s ALA 213 Ca 0.00 0.23 0.03 0.00 0.00 0.00 0.00 51.96 52.21 1p4j s ALA 213 Cb 0.00 -2.92 0.00 0.00 0.00 0.00 0.00 23.12 20.20 1p4j s ALA 213 CO 0.00 0.27 -0.10 0.15 0.00 0.00 0.00 175.76 176.08 1p4j s LYS 214 N -2.50 1.05 -0.41 0.00 1.02 0.18 -4.90 119.74 114.18 1p4j s LYS 214 Ca 0.51 -0.34 -0.17 0.00 0.02 0.00 0.00 55.97 55.98 1p4j s LYS 214 Cb -0.14 -0.97 0.01 0.00 -0.52 0.00 0.00 37.83 36.22 1p4j s LYS 214 CO 0.19 0.13 0.45 -0.46 -0.92 0.00 0.00 175.35 174.74 1p4j s TRP 215 N 0.16 3.17 0.42 3.18 -0.00 -1.26 0.08 118.94 124.68 1p4j s TRP 215 Ca -0.03 -0.26 0.04 0.00 -0.00 0.00 0.00 56.10 55.85 1p4j s TRP 215 Cb -0.09 -2.90 -0.05 0.00 -0.00 0.00 0.00 33.47 30.44 1p4j s TRP 215 CO 0.01 -0.66 0.04 0.14 -0.00 0.00 0.00 176.95 176.48 1p4j s VAL 216 N 2.19 1.28 -1.52 5.86 -7.23 -0.12 -4.81 120.40 116.05 1p4j s VAL 216 Ca 0.13 -2.00 -0.13 0.00 -1.81 0.00 0.00 61.98 58.17 1p4j s VAL 216 Cb -0.17 -2.59 0.08 0.00 0.56 0.00 0.00 36.38 34.27 1p4j s VAL 216 CO 0.14 0.00 0.97 0.47 -0.31 0.00 0.00 175.10 176.36 1p4j n ASP 217 N -1.05 -4.58 -4.92 4.85 8.00 -1.26 -0.91 116.55 116.68 1p4j n ASP 217 Ca -0.08 -0.78 -0.26 0.00 0.71 0.00 0.00 54.79 54.38 1p4j n ASP 217 Cb 0.66 -3.89 0.01 0.00 -0.02 0.00 0.00 41.12 37.88 1p4j n ASP 217 CO 0.00 0.00 0.00 0.42 -0.39 0.00 0.00 177.20 177.23 1p4j s THR 218 N -3.33 4.44 -0.14 -3.53 -4.23 -1.26 -3.35 115.64 104.24 1p4j s THR 218 Ca 0.62 -0.07 -0.12 0.00 -1.18 0.00 0.00 61.69 60.94 1p4j s THR 218 Cb -0.31 -3.69 -0.05 0.00 1.34 0.00 0.00 72.50 69.80 1p4j s THR 218 CO 0.83 -0.61 0.25 -1.58 -0.54 0.00 0.00 174.62 172.96 1p4j s GLN 219 N -4.71 4.06 -0.15 3.99 0.74 0.14 -4.90 119.66 118.83 1p4j s GLN 219 Ca 0.48 0.03 -0.06 0.00 0.05 0.00 0.00 55.36 55.86 1p4j s GLN 219 Cb -0.10 -3.36 -0.04 0.00 1.10 0.00 0.00 33.01 30.61 1p4j s GLN 219 CO 0.42 0.40 0.04 0.08 -0.55 0.00 0.00 175.29 175.69 1p4j s VAL 220 N -0.01 4.64 -0.06 1.34 1.01 -1.26 -1.29 120.40 124.77 1p4j s VAL 220 Ca 0.15 -0.10 0.03 0.00 0.00 0.00 0.00 61.98 62.07 1p4j s VAL 220 Cb -0.13 -3.04 0.01 0.00 0.00 0.00 0.00 36.38 33.21 1p4j s VAL 220 CO 0.04 0.52 -0.16 -0.69 0.00 0.00 0.00 175.10 174.81 1p4j s VAL 221 N -0.10 1.39 0.24 2.92 1.01 -0.12 -4.48 120.40 121.26 1p4j s VAL 221 Ca 0.06 -0.65 -0.18 0.00 0.00 0.00 0.00 61.98 61.21 1p4j s VAL 221 Cb -0.12 -1.22 -0.08 0.00 0.00 0.00 0.00 36.38 34.95 1p4j s VAL 221 CO 0.01 0.41 0.71 -0.76 0.00 0.00 0.00 175.10 175.47 1p4j s LEU 222 N 0.40 4.28 -0.28 3.92 1.43 0.11 -0.27 118.68 128.27 1p4j s LEU 222 Ca -0.12 1.36 -0.02 0.00 -1.03 0.00 0.00 54.13 54.32 1p4j s LEU 222 Cb -0.15 -3.67 0.04 0.00 0.03 0.00 0.00 46.19 42.45 1p4j s LEU 222 CO 0.04 -0.01 -0.02 0.00 0.23 0.00 0.00 176.35 176.59 1p4j s ALA 223 N -1.62 2.78 -0.23 4.21 0.00 0.11 -0.63 121.76 126.39 1p4j s ALA 223 Ca 0.45 -1.64 -0.09 0.00 0.00 0.00 0.00 51.96 50.68 1p4j s ALA 223 Cb -0.15 -1.86 -0.04 0.00 0.00 0.00 0.00 23.12 21.07 1p4j s ALA 223 CO 0.20 -1.09 0.12 1.41 0.00 0.00 0.00 175.76 176.40 1p4j s MET 224 N 1.29 3.97 0.18 0.00 1.75 0.45 -1.48 119.30 125.46 1p4j s MET 224 Ca -0.03 -0.33 -0.15 0.00 -1.25 0.00 0.00 55.69 53.93 1p4j s MET 224 Cb -0.18 -3.43 -0.07 0.00 2.84 0.00 0.00 34.83 33.98 1p4j s MET 224 CO -0.02 0.05 0.61 -1.25 -0.65 0.00 0.00 175.02 173.75 1p4j s PRO 225 N 1.05 4.04 -0.12 4.11 0.04 -1.26 -0.33 135.00 142.54 1p4j s PRO 225 Ca 0.06 0.59 0.02 0.00 0.04 0.00 0.00 61.00 61.71 1p4j s PRO 225 Cb -0.14 -2.87 0.01 0.00 0.04 0.00 0.00 34.50 31.55 1p4j s PRO 225 CO 0.04 0.43 -0.16 0.71 0.04 0.00 0.00 177.00 178.06 1p4j s TYR 226 N -1.53 2.06 -0.13 0.56 1.51 -0.33 -0.73 117.35 118.76 1p4j s TYR 226 Ca 0.41 -0.99 -0.06 0.00 -1.01 0.00 0.00 57.07 55.41 1p4j s TYR 226 Cb -0.15 -1.48 -0.04 0.00 -0.11 0.00 0.00 41.96 40.18 1p4j s TYR 226 CO 0.20 -0.51 0.09 -0.51 -1.11 0.00 0.00 175.55 173.71 1p4j s ASP 227 N 1.01 5.94 -0.06 2.29 -0.00 -0.41 -1.27 116.67 124.17 1p4j s ASP 227 Ca -0.06 0.30 0.04 0.00 -0.00 0.00 0.00 52.55 52.83 1p4j s ASP 227 Cb -0.15 -1.89 -0.00 0.00 -0.00 0.00 0.00 42.92 40.88 1p4j s ASP 227 CO -0.02 0.34 -0.19 -0.89 -0.00 0.00 0.00 175.17 174.41 1p4j s THR 228 N -0.64 1.59 0.36 -1.27 2.01 -0.38 -0.50 115.64 116.80 1p4j s THR 228 Ca 0.12 -0.79 -0.26 0.00 0.31 0.00 0.00 61.69 61.07 1p4j s THR 228 Cb -0.12 -1.37 -0.09 0.00 0.01 0.00 0.00 72.50 70.93 1p4j s THR 228 CO 0.02 0.45 1.08 -2.16 -0.69 0.00 0.00 174.62 173.33 1p4j s PRO 229 N 0.13 4.32 -0.39 4.92 0.04 -1.26 -1.47 135.00 141.29 1p4j s PRO 229 Ca -0.08 1.66 0.02 0.00 0.04 0.00 0.00 61.00 62.65 1p4j s PRO 229 Cb -0.13 -2.79 0.12 0.00 0.04 0.00 0.00 34.50 31.73 1p4j s PRO 229 CO 0.04 -0.04 0.15 0.08 0.04 0.00 0.00 177.00 177.27 1p4j s VAL 230 N -1.44 1.71 0.19 -0.36 1.01 0.39 -4.90 120.40 117.00 1p4j s VAL 230 Ca 0.53 -2.33 -0.30 0.00 0.00 0.00 0.00 61.98 59.88 1p4j s VAL 230 Cb -0.27 -2.24 -0.08 0.00 0.00 0.00 0.00 36.38 33.80 1p4j s VAL 230 CO 0.34 -0.74 1.03 -2.16 0.00 0.00 0.00 175.10 173.57 1p4j s PRO 231 N 0.72 4.69 0.77 2.72 0.04 -1.26 -0.53 135.00 142.15 1p4j s PRO 231 Ca 0.14 1.61 -0.12 0.00 0.04 0.00 0.00 61.00 62.68 1p4j s PRO 231 Cb -0.21 -3.29 0.06 0.00 0.04 0.00 0.00 34.50 31.10 1p4j s PRO 231 CO -0.09 0.23 1.15 0.20 0.04 0.00 0.00 177.00 178.53 1p4j s GLY 232 N -0.45 1.60 -0.68 0.56 0.00 0.11 -4.76 107.32 103.71 1p4j s GLY 232 Ca 0.46 -0.58 -0.27 0.00 0.00 0.00 0.00 44.72 44.32 1p4j s GLY 232 CO 0.34 -0.13 1.33 -0.47 0.00 0.00 0.00 173.10 174.17 1p4j s TYR 233 N -3.50 2.29 -1.23 1.90 6.14 -1.26 -4.24 117.35 117.45 1p4j s TYR 233 Ca 0.61 0.18 -0.08 0.00 0.64 0.00 0.00 57.07 58.41 1p4j s TYR 233 Cb -0.11 -4.53 0.06 0.00 0.42 0.00 0.00 41.96 37.80 1p4j s TYR 233 CO 0.49 -1.99 0.43 0.54 0.64 0.00 0.00 175.55 175.66 1p4j n ARG 234 N 9.09 -3.25 0.00 4.97 1.74 0.10 -4.81 116.66 124.50 1p4j n ARG 234 Ca 0.07 0.48 0.00 0.00 -0.77 0.00 0.00 57.85 57.63 1p4j n ARG 234 Cb 0.49 -5.17 0.00 0.00 -1.02 0.00 0.00 32.46 26.76 1p4j n ARG 234 CO 0.00 0.00 0.00 0.27 -1.52 0.00 0.00 177.63 176.38 1p4j n ASN 235 N -2.22 1.69 -0.66 0.55 2.04 -1.26 -4.95 115.26 110.45 1p4j n ASN 235 Ca -0.03 -1.71 -0.09 0.00 -0.44 0.00 0.00 54.58 52.31 1p4j n ASN 235 Cb 0.55 0.00 -0.04 0.00 -2.53 0.00 0.00 39.78 37.76 1p4j n ASN 235 CO 0.00 0.00 0.00 0.59 -0.44 0.00 0.00 177.26 177.41 1p4j n ASN 236 N -0.35 -5.16 -4.79 0.53 3.02 -1.26 -0.90 115.26 106.35 1p4j n ASN 236 Ca 0.00 0.21 -0.37 0.00 -0.03 0.00 0.00 54.58 54.39 1p4j n ASN 236 Cb 0.19 -3.42 -0.06 0.00 -0.61 0.00 0.00 39.78 35.87 1p4j n ASN 236 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 1p4j s VAL 237 N -1.95 5.20 -0.24 2.41 1.01 -1.26 -4.76 120.40 120.81 1p4j s VAL 237 Ca 0.00 0.69 -0.03 0.00 0.00 0.00 0.00 61.98 62.64 1p4j s VAL 237 Cb 0.00 -3.67 0.08 0.00 0.00 0.00 0.00 36.38 32.79 1p4j s VAL 237 CO 0.00 0.48 0.07 -0.69 0.00 0.00 0.00 175.10 174.96 1p4j s VAL 238 N -0.31 0.49 0.66 2.92 1.01 -1.26 0.10 120.40 124.00 1p4j s VAL 238 Ca 0.21 -0.79 -0.05 0.00 0.00 0.00 0.00 61.98 61.35 1p4j s VAL 238 Cb -0.15 -1.16 0.14 0.00 0.00 0.00 0.00 36.38 35.21 1p4j s VAL 238 CO 0.09 -0.42 0.90 0.59 0.00 0.00 0.00 175.10 176.26 1p4j n ASN 239 N 5.04 0.76 -4.24 3.32 3.02 0.31 -4.68 115.26 118.79 1p4j n ASN 239 Ca -0.07 -1.75 -0.27 0.00 -0.03 0.00 0.00 54.58 52.46 1p4j n ASN 239 Cb 0.45 -0.63 -0.15 0.00 -0.61 0.00 0.00 39.78 38.84 1p4j n ASN 239 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 1p4j s THR 240 N -2.77 1.71 -0.24 3.41 2.01 -1.26 -0.46 115.64 118.04 1p4j s THR 240 Ca 0.56 -0.98 -0.01 0.00 0.31 0.00 0.00 61.69 61.58 1p4j s THR 240 Cb -0.03 -1.43 0.03 0.00 0.01 0.00 0.00 72.50 71.08 1p4j s THR 240 CO 0.38 0.43 -0.09 -0.32 -0.69 0.00 0.00 174.62 174.34 1p4j s MET 241 N -0.63 2.82 -0.23 4.92 1.75 -0.54 -1.90 119.30 125.49 1p4j s MET 241 Ca 0.08 -0.98 -0.06 0.00 -1.25 0.00 0.00 55.69 53.49 1p4j s MET 241 Cb -0.08 -2.91 -0.02 0.00 2.84 0.00 0.00 34.83 34.66 1p4j s MET 241 CO -0.00 -0.38 0.03 0.50 -0.65 0.00 0.00 175.02 174.52 1p4j s ARG 242 N 1.30 3.58 -0.12 4.11 3.52 0.14 -1.25 118.95 130.24 1p4j s ARG 242 Ca 0.00 -0.52 0.00 0.00 -0.13 0.00 0.00 55.73 55.08 1p4j s ARG 242 Cb -0.16 -3.19 -0.02 0.00 -1.56 0.00 0.00 34.95 30.02 1p4j s ARG 242 CO -0.06 -0.14 -0.12 -0.51 -0.81 0.00 0.00 175.30 173.66 1p4j s LEU 243 N 1.43 2.80 0.07 -0.88 1.43 -0.40 -2.03 118.68 121.12 1p4j s LEU 243 Ca 0.05 -0.27 -0.19 0.00 -1.03 0.00 0.00 54.13 52.70 1p4j s LEU 243 Cb -0.15 -1.63 -0.07 0.00 0.03 0.00 0.00 46.19 44.38 1p4j s LEU 243 CO 0.01 0.21 0.56 0.26 0.23 0.00 0.00 176.35 177.62 1p4j s TRP 244 N 0.11 3.79 -0.05 0.29 0.52 -0.16 -1.18 118.94 122.26 1p4j s TRP 244 Ca -0.05 1.25 0.06 0.00 0.02 0.00 0.00 56.10 57.38 1p4j s TRP 244 Cb -0.15 -2.48 -0.02 0.00 -1.15 0.00 0.00 33.47 29.68 1p4j s TRP 244 CO 0.04 0.58 -0.24 0.45 0.02 0.00 0.00 176.95 177.81 1p4j s SER 245 N -1.14 3.21 0.11 2.95 0.15 0.55 -1.29 113.70 118.23 1p4j s SER 245 Ca 0.29 -0.45 -0.29 0.00 0.70 0.00 0.00 55.95 56.20 1p4j s SER 245 Cb -0.19 -0.70 -0.06 0.00 -1.71 0.00 0.00 66.02 63.36 1p4j s SER 245 CO 0.19 0.28 0.90 0.00 1.20 0.00 0.00 173.24 175.81 1p4j s ALA 246 N -0.36 3.29 -0.01 5.45 0.00 -1.26 -0.41 121.76 128.45 1p4j s ALA 246 Ca 0.03 0.50 0.00 0.00 0.00 0.00 0.00 51.96 52.49 1p4j s ALA 246 Cb -0.12 -3.19 0.01 0.00 0.00 0.00 0.00 23.12 19.82 1p4j s ALA 246 CO 0.02 0.03 -0.00 0.15 0.00 0.00 0.00 175.76 175.95 1p4j s LYS 247 N -0.16 0.16 0.21 0.00 -0.14 0.19 -4.69 119.74 115.32 1p4j s LYS 247 Ca 0.44 0.04 -0.28 0.00 -1.36 0.00 0.00 55.97 54.80 1p4j s LYS 247 Cb -0.23 -0.28 -0.08 0.00 -1.68 0.00 0.00 37.83 35.56 1p4j s LYS 247 CO 0.28 -0.06 0.88 0.00 -0.76 0.00 0.00 175.35 175.69 1p4j s ALA 248 N 0.56 3.37 0.84 5.17 0.00 -1.26 0.05 121.76 130.49 1p4j s ALA 248 Ca -0.05 0.52 -0.11 0.00 0.00 0.00 0.00 51.96 52.32 1p4j s ALA 248 Cb -0.08 -3.12 0.10 0.00 0.00 0.00 0.00 23.12 20.02 1p4j s ALA 248 CO -0.01 0.23 1.14 -1.25 0.00 0.00 0.00 175.76 175.87 1p4j s PRO 249 N -1.10 1.60 0.06 0.00 0.04 -1.26 -4.88 135.00 129.47 1p4j s PRO 249 Ca 0.39 1.49 0.21 0.00 0.04 0.00 0.00 61.00 63.13 1p4j s PRO 249 Cb -0.25 -1.80 0.85 0.00 0.04 0.00 0.00 34.50 33.34 1p4j s PRO 249 CO 0.30 -2.19 1.65 0.09 0.04 0.00 0.00 177.00 176.89 1p4j n ASN 250 N -3.71 0.19 -1.22 6.66 3.02 -1.26 -2.06 115.26 116.87 1p4j n ASN 250 Ca 0.11 0.54 0.08 0.00 -0.03 0.00 0.00 54.58 55.28 1p4j n ASN 250 Cb 0.52 -0.58 0.29 0.00 -0.61 0.00 0.00 39.78 39.40 1p4j n ASN 250 CO 0.00 0.00 0.00 -0.90 -2.62 0.00 0.00 177.26 173.74 1p4j n ASP 251 N -1.69 4.18 -4.71 6.41 5.75 -1.26 -4.86 116.55 120.36 1p4j n ASP 251 Ca 0.04 -2.50 -0.42 0.00 -0.01 0.00 0.00 54.79 51.90 1p4j n ASP 251 Cb 0.24 -0.50 -0.03 0.00 -1.03 0.00 0.00 41.12 39.81 1p4j n ASP 251 CO 0.00 0.00 0.00 0.12 -0.11 0.00 0.00 177.20 177.21 1p4j s PHE 252 N -1.92 2.77 0.00 2.11 5.36 -0.87 -0.63 117.98 124.79 1p4j s PHE 252 Ca 0.43 0.31 0.00 0.00 -0.96 0.00 0.00 56.93 56.70 1p4j s PHE 252 Cb 0.29 -4.12 0.00 0.00 -0.34 0.00 0.00 43.02 38.85 1p4j s PHE 252 CO 0.19 -4.31 0.00 0.09 -1.46 0.00 0.00 175.22 169.73 1p4j n ASN 253 N 4.35 0.00 -4.04 6.13 3.02 -1.26 -4.83 115.26 118.62 1p4j n ASN 253 Ca 0.16 0.00 -0.32 0.00 -0.03 0.00 0.00 54.58 54.39 1p4j n ASN 253 Cb 0.36 -2.11 -0.15 0.00 -0.61 0.00 0.00 39.78 37.27 1p4j n ASN 253 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 1p4j s LEU 254 N 0.00 3.43 0.00 3.41 1.43 0.20 -4.87 118.68 122.27 1p4j s LEU 254 Ca 0.00 -1.43 0.00 0.00 -1.03 0.00 0.00 54.13 51.67 1p4j s LEU 254 Cb 0.00 -1.50 0.00 0.00 0.03 0.00 0.00 46.19 44.72 1p4j s LEU 254 CO 0.00 -0.21 0.00 0.61 0.23 0.00 0.00 176.35 176.98 1p4j n GLY 261 N 4.45 0.00 0.08 -3.19 0.00 -1.26 -5.01 105.19 100.26 1p4j n GLY 261 Ca -0.12 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.79 1p4j n GLY 261 CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 1p4j h TYR 262 N 0.00 0.07 -0.42 1.61 3.20 -1.99 -1.81 116.97 117.62 1p4j h TYR 262 Ca 0.00 0.01 0.04 0.00 3.14 0.00 0.00 58.73 61.92 1p4j h TYR 262 Cb 0.00 -0.01 -0.04 0.00 1.54 0.00 0.00 36.73 38.22 1p4j h TYR 262 CO 0.00 0.03 0.19 0.82 -1.64 0.00 0.00 178.16 177.56 1p4j h ILE 263 N 0.09 0.93 -0.78 1.81 1.08 -2.02 -2.25 117.51 116.37 1p4j h ILE 263 Ca 0.05 -0.13 -0.02 0.00 -0.39 0.00 0.00 64.86 64.36 1p4j h ILE 263 Cb 0.03 0.52 -0.04 0.00 -3.07 0.00 0.00 36.82 34.26 1p4j h ILE 263 CO -0.05 0.07 0.39 1.56 -0.69 0.00 0.00 178.15 179.43 1p4j h GLN 264 N 0.38 1.11 -0.81 2.37 1.08 -1.96 -1.13 115.11 116.15 1p4j h GLN 264 Ca 0.19 -0.14 -0.02 0.00 -1.45 0.00 0.00 58.65 57.22 1p4j h GLN 264 Cb 0.13 -0.21 -0.04 0.00 -0.05 0.00 0.00 27.48 27.31 1p4j h GLN 264 CO -0.15 0.84 0.43 0.00 -0.95 0.00 0.00 178.83 178.99 1p4j h ALA 265 N 1.33 1.04 -0.35 3.87 0.00 -0.87 0.60 119.26 124.88 1p4j h ALA 265 Ca 0.27 -0.13 -0.09 0.00 0.00 0.00 0.00 54.91 54.96 1p4j h ALA 265 Cb 0.08 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 17.54 1p4j h ALA 265 CO -0.04 0.57 -0.15 0.28 0.00 0.00 0.00 179.25 179.91 1p4j h VAL 266 N 1.13 1.28 -0.13 0.00 2.07 -0.95 -3.03 116.25 116.63 1p4j h VAL 266 Ca 0.28 -1.26 -0.07 0.00 0.82 0.00 0.00 66.70 66.48 1p4j h VAL 266 Cb 0.05 1.36 -0.01 0.00 -1.52 0.00 0.00 31.29 31.17 1p4j h VAL 266 CO -0.04 0.41 -0.22 -0.07 0.02 0.00 0.00 177.57 177.67 1p4j h LEU 267 N 0.50 0.22 0.00 2.57 3.38 -0.85 -2.40 115.31 118.73 1p4j h LEU 267 Ca 0.08 -0.06 0.00 0.00 0.09 0.00 0.00 57.88 57.99 1p4j h LEU 267 Cb 0.69 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 41.38 1p4j h LEU 267 CO 0.05 0.45 0.00 0.47 0.09 0.00 0.00 178.44 179.50 1p4j n ASP 268 N -4.20 0.00 0.21 -0.43 8.00 0.17 -2.86 116.55 117.45 1p4j n ASP 268 Ca -0.01 -0.06 0.06 0.00 0.71 0.00 0.00 54.79 55.49 1p4j n ASP 268 Cb 0.33 -0.24 0.53 0.00 -0.02 0.00 0.00 41.12 41.72 1p4j n ASP 268 CO 0.00 0.00 0.00 0.03 -0.39 0.00 0.00 177.20 176.84 1p4j h ARG 269 N 0.00 0.07 0.00 -1.24 3.08 -1.44 -1.11 114.38 113.74 1p4j h ARG 269 Ca 0.00 -0.01 0.00 0.00 0.07 0.00 0.00 59.98 60.04 1p4j h ARG 269 Cb 0.14 -0.01 0.00 0.00 0.08 0.00 0.00 29.97 30.18 1p4j h ARG 269 CO 0.00 0.15 0.00 0.09 -1.07 0.00 0.00 179.97 179.14 1p4j n ASN 270 N -4.41 0.05 0.00 7.04 5.03 -1.13 -1.90 115.26 119.94 1p4j n ASN 270 Ca -0.02 0.52 -0.18 0.00 0.87 0.00 0.00 54.58 55.77 1p4j n ASN 270 Cb 0.17 -0.53 -0.10 0.00 -1.02 0.00 0.00 39.78 38.31 1p4j n ASN 270 CO 0.00 0.00 0.00 -0.07 -1.83 0.00 0.00 177.26 175.36 1p4j h LEU 271 N 0.00 0.70 -0.14 3.41 4.07 -1.45 -2.56 115.31 119.34 1p4j h LEU 271 Ca 0.00 -0.71 -0.21 0.00 0.08 0.00 0.00 57.88 57.04 1p4j h LEU 271 Cb 0.03 -0.21 -0.02 0.00 1.08 0.00 0.00 40.66 41.55 1p4j h LEU 271 CO 0.00 1.31 -0.97 0.00 -1.08 0.00 0.00 178.44 177.70 1p4j h ALA 272 N 0.41 0.41 0.00 1.53 0.00 -1.55 -3.22 119.26 116.85 1p4j h ALA 272 Ca -0.07 -0.81 0.00 0.00 0.00 0.00 0.00 54.91 54.02 1p4j h ALA 272 Cb 1.37 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 19.07 1p4j h ALA 272 CO 0.14 1.05 0.00 0.39 0.00 0.00 0.00 179.25 180.83 1p4j n GLU 273 N -3.52 0.14 0.17 0.00 1.02 -1.05 -3.11 120.64 114.29 1p4j n GLU 273 Ca -0.03 0.21 0.12 0.00 -0.02 0.00 0.00 57.16 57.44 1p4j n GLU 273 Cb 0.88 -1.69 0.59 0.00 -0.02 0.00 0.00 31.44 31.20 1p4j n GLU 273 CO 0.00 0.00 0.00 -0.91 1.18 0.00 0.00 177.13 177.40 1p4j h ASN 274 N 0.00 0.00 -0.97 1.62 2.35 -1.46 -3.04 115.58 114.08 1p4j h ASN 274 Ca 0.00 0.00 0.08 0.00 -0.55 0.00 0.00 56.30 55.83 1p4j h ASN 274 Cb 0.52 0.00 -0.07 0.00 0.05 0.00 0.00 38.32 38.82 1p4j h ASN 274 CO 0.00 0.00 0.62 0.40 -1.65 0.00 0.00 177.43 176.80 1p4j h ILE 275 N 0.00 1.04 -0.43 2.81 2.04 -1.77 -2.30 117.51 118.89 1p4j h ILE 275 Ca 0.00 -0.37 0.00 0.00 1.00 0.00 0.00 64.86 65.49 1p4j h ILE 275 Cb 0.16 -0.15 0.00 0.00 -0.74 0.00 0.00 36.82 36.09 1p4j h ILE 275 CO 0.00 0.20 0.00 -1.54 0.00 0.00 0.00 178.15 176.81 1p4j n SER 276 N -4.56 4.90 -0.04 1.72 3.41 -1.15 -4.66 113.62 113.24 1p4j n SER 276 Ca 0.16 -2.97 -0.14 0.00 -0.26 0.00 0.00 58.87 55.66 1p4j n SER 276 Cb 0.22 -0.62 -0.09 0.00 -0.26 0.00 0.00 64.21 63.47 1p4j n SER 276 CO 0.00 0.00 0.00 -0.09 -0.16 0.00 0.00 175.04 174.79 1p4j h ARG 277 N 3.00 0.29 -3.10 4.33 9.65 -1.52 -1.96 114.38 125.07 1p4j h ARG 277 Ca 0.00 -0.19 -0.14 0.00 -1.10 0.00 0.00 59.98 58.55 1p4j h ARG 277 Cb 1.74 0.02 -0.23 0.00 -1.39 0.00 0.00 29.97 30.12 1p4j h ARG 277 CO 0.37 0.79 -0.35 0.54 2.80 0.00 0.00 179.97 184.11 1p4j s VAL 278 N -3.96 0.03 0.10 0.20 0.11 -1.26 -0.97 120.40 114.66 1p4j s VAL 278 Ca -0.15 -0.28 -0.30 0.00 -2.93 0.00 0.00 61.98 58.33 1p4j s VAL 278 Cb 0.04 -0.49 -0.06 0.00 -1.53 0.00 0.00 36.38 34.34 1p4j s VAL 278 CO 0.75 -0.15 1.07 -0.22 -3.33 0.00 0.00 175.10 173.22 1p4j s LEU 279 N -0.62 4.44 -0.04 2.54 2.96 -0.75 -4.99 118.68 122.22 1p4j s LEU 279 Ca -0.07 1.93 -0.30 0.00 -0.22 0.00 0.00 54.13 55.47 1p4j s LEU 279 Cb -0.04 -3.59 -0.05 0.00 0.50 0.00 0.00 46.19 43.01 1p4j s LEU 279 CO 0.02 -0.26 1.42 -0.31 -1.32 0.00 0.00 176.35 175.91 1p4j s TYR 280 N 0.35 2.69 -0.02 5.38 1.51 -1.26 -4.85 117.35 121.15 1p4j s TYR 280 Ca 0.52 0.73 0.00 0.00 -1.01 0.00 0.00 57.07 57.31 1p4j s TYR 280 Cb -0.27 -3.68 0.02 0.00 -0.11 0.00 0.00 41.96 37.92 1p4j s TYR 280 CO 0.31 -2.59 1.28 -0.35 -1.11 0.00 0.00 175.55 173.10 1p4j n PRO 281 N 5.90 1.05 -3.71 -1.71 -0.04 -1.26 -4.90 135.00 130.33 1p4j n PRO 281 Ca 0.14 -0.10 -0.36 0.00 -0.04 0.00 0.00 63.50 63.13 1p4j n PRO 281 Cb 0.44 -1.04 -0.07 0.00 -0.04 0.00 0.00 33.50 32.79 1p4j n PRO 281 CO 0.00 0.00 0.00 -0.80 -0.04 0.00 0.00 175.50 174.66 1p4j s ASN 282 N 1.17 6.39 -0.21 3.54 0.01 -1.26 -4.45 114.94 120.13 1p4j s ASN 282 Ca 0.02 0.46 -0.01 0.00 -0.71 0.00 0.00 52.86 52.62 1p4j s ASN 282 Cb 0.02 -2.12 0.01 0.00 0.41 0.00 0.00 41.25 39.57 1p4j s ASN 282 CO 0.00 0.26 -0.12 -0.62 -1.51 0.00 0.00 177.10 175.11 1p4j s ASP 283 N -0.25 3.80 -1.39 -1.22 2.15 -1.26 -4.66 116.67 113.84 1p4j s ASP 283 Ca 0.14 -0.65 -0.09 0.00 0.43 0.00 0.00 52.55 52.38 1p4j s ASP 283 Cb -0.12 -1.60 0.03 0.00 -0.30 0.00 0.00 42.92 40.92 1p4j s ASP 283 CO 0.03 -0.04 1.09 0.59 -0.17 0.00 0.00 175.17 176.67 1p4j n ASN 284 N 4.68 -5.31 -3.68 -0.34 3.02 -1.26 -4.99 115.26 107.38 1p4j n ASN 284 Ca -0.19 -0.63 -0.09 0.00 -0.03 0.00 0.00 54.58 53.64 1p4j n ASN 284 Cb 0.49 -4.68 -0.10 0.00 -0.61 0.00 0.00 39.78 34.88 1p4j n ASN 284 CO 0.00 0.00 0.00 0.12 -2.62 0.00 0.00 177.26 174.76 1p4j s PHE 285 N -3.34 -0.71 -0.14 3.10 5.36 -1.26 -4.18 117.98 116.81 1p4j s PHE 285 Ca 0.53 1.44 -0.16 0.00 -0.96 0.00 0.00 56.93 57.78 1p4j s PHE 285 Cb -0.24 0.31 -0.04 0.00 -0.34 0.00 0.00 43.02 42.70 1p4j s PHE 285 CO 0.76 -0.41 0.40 0.12 -1.46 0.00 0.00 175.22 174.63 1p4j s PHE 286 N 1.88 3.49 -0.30 10.12 2.19 0.31 -4.85 117.98 130.81 1p4j s PHE 286 Ca -0.07 0.76 0.01 0.00 0.33 0.00 0.00 56.93 57.97 1p4j s PHE 286 Cb -0.10 -2.46 0.09 0.00 -1.31 0.00 0.00 43.02 39.24 1p4j s PHE 286 CO -0.13 0.20 0.04 -2.00 1.83 0.00 0.00 175.22 175.16 1p4j s GLU 287 N 0.54 1.22 -0.85 10.12 2.12 -1.26 -4.95 118.70 125.64 1p4j s GLU 287 Ca 0.22 -1.34 -0.16 0.00 0.36 0.00 0.00 54.97 54.05 1p4j s GLU 287 Cb -0.14 -2.59 -0.11 0.00 0.26 0.00 0.00 34.13 31.55 1p4j s GLU 287 CO 0.08 -0.87 2.00 0.41 -0.54 0.00 0.00 175.26 176.34 1p4j n GLY 288 N 4.59 2.85 3.89 -1.50 0.00 -1.26 -4.92 105.19 108.84 1p4j n GLY 288 Ca -0.02 -1.13 -0.35 0.00 0.00 0.00 0.00 46.02 44.51 1p4j n GLY 288 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1p4j s LYS 289 N 4.34 3.49 0.24 1.61 -0.14 -1.26 -5.01 119.74 123.01 1p4j s LYS 289 Ca 0.50 -0.17 -0.05 0.00 -1.36 0.00 0.00 55.97 54.89 1p4j s LYS 289 Cb 0.13 -3.13 0.34 0.00 -1.68 0.00 0.00 37.83 33.49 1p4j s LYS 289 CO 0.05 0.71 1.86 1.49 -0.76 0.00 0.00 175.35 178.70 1p4j h GLU 290 N 4.29 0.97 -0.93 1.68 4.81 -2.00 -1.98 114.58 121.42 1p4j h GLU 290 Ca -0.51 -0.06 0.06 0.00 -0.13 0.00 0.00 59.36 58.72 1p4j h GLU 290 Cb 1.21 -0.22 -0.06 0.00 0.63 0.00 0.00 28.75 30.30 1p4j h GLU 290 CO 0.64 0.64 0.59 1.25 -0.73 0.00 0.00 179.01 181.40 1p4j h LEU 291 N 1.00 0.94 -0.66 1.64 5.85 -1.98 -0.72 115.31 121.39 1p4j h LEU 291 Ca 0.38 0.01 -0.02 0.00 0.84 0.00 0.00 57.88 59.09 1p4j h LEU 291 Cb 0.16 -0.19 -0.03 0.00 0.37 0.00 0.00 40.66 40.97 1p4j h LEU 291 CO -0.17 0.61 0.32 -0.09 -0.34 0.00 0.00 178.44 178.76 1p4j h ARG 292 N 1.08 0.95 -0.68 1.25 9.65 -1.73 -1.57 114.38 123.33 1p4j h ARG 292 Ca 0.40 -0.14 -0.05 0.00 -1.10 0.00 0.00 59.98 59.08 1p4j h ARG 292 Cb 0.15 -0.17 -0.03 0.00 -1.39 0.00 0.00 29.97 28.53 1p4j h ARG 292 CO -0.17 0.75 0.21 1.25 2.80 0.00 0.00 179.97 184.82 1p4j h LEU 293 N 0.91 0.98 -0.82 3.80 5.85 -0.97 -1.70 115.31 123.37 1p4j h LEU 293 Ca 0.23 -0.18 -0.03 0.00 0.84 0.00 0.00 57.88 58.74 1p4j h LEU 293 Cb 0.11 -0.26 -0.04 0.00 0.37 0.00 0.00 40.66 40.85 1p4j h LEU 293 CO -0.03 0.92 0.39 0.11 -0.34 0.00 0.00 178.44 179.49 1p4j h LYS 294 N 1.01 1.18 -0.50 1.25 1.57 -0.65 -1.37 116.57 119.07 1p4j h LYS 294 Ca 0.22 -0.18 -0.02 0.00 -1.87 0.00 0.00 60.65 58.80 1p4j h LYS 294 Cb 0.29 -0.21 -0.02 0.00 0.08 0.00 0.00 32.23 32.37 1p4j h LYS 294 CO -0.01 0.91 0.23 1.96 -0.57 0.00 0.00 179.45 181.97 1p4j h GLN 295 N 1.16 0.74 -0.74 3.15 4.20 -0.86 0.61 115.11 123.37 1p4j h GLN 295 Ca 0.28 -0.12 -0.02 0.00 0.06 0.00 0.00 58.65 58.85 1p4j h GLN 295 Cb 0.13 -0.13 -0.03 0.00 0.30 0.00 0.00 27.48 27.74 1p4j h GLN 295 CO -0.03 0.63 0.37 0.93 -0.67 0.00 0.00 178.83 180.06 1p4j h GLU 296 N 0.67 1.06 -0.09 1.46 5.08 -0.83 -2.10 114.58 119.82 1p4j h GLU 296 Ca 0.17 -0.15 -0.24 0.00 -1.00 0.00 0.00 59.36 58.14 1p4j h GLU 296 Cb 0.15 -0.20 0.01 0.00 0.50 0.00 0.00 28.75 29.22 1p4j h GLU 296 CO -0.02 0.82 -0.88 -0.92 -1.00 0.00 0.00 179.01 177.00 1p4j h TYR 297 N 1.04 1.05 -0.35 4.33 3.20 -1.09 -2.99 116.97 122.15 1p4j h TYR 297 Ca 0.26 -0.51 0.07 0.00 3.14 0.00 0.00 58.73 61.70 1p4j h TYR 297 Cb 0.09 -0.15 -0.07 0.00 1.54 0.00 0.00 36.73 38.14 1p4j h TYR 297 CO 0.01 1.34 -0.14 0.35 -1.64 0.00 0.00 178.16 178.08 1p4j h PHE 298 N 0.48 -0.33 -0.64 -3.82 3.57 -0.66 0.26 116.94 115.80 1p4j h PHE 298 Ca -0.08 0.04 -0.09 0.00 3.53 0.00 0.00 57.97 61.37 1p4j h PHE 298 Cb 1.52 0.20 -0.02 0.00 2.79 0.00 0.00 35.95 40.44 1p4j h PHE 298 CO 0.09 -0.21 0.06 -0.24 -2.23 0.00 0.00 178.31 175.78 1p4j h VAL 299 N -0.07 1.26 -0.22 1.41 3.04 -1.45 -2.69 116.25 117.53 1p4j h VAL 299 Ca 0.18 -1.09 -0.06 0.00 -1.01 0.00 0.00 66.70 64.72 1p4j h VAL 299 Cb 0.34 0.71 -0.01 0.00 -2.01 0.00 0.00 31.29 30.32 1p4j h VAL 299 CO -0.40 0.40 -0.09 0.58 -1.01 0.00 0.00 177.57 177.05 1p4j h VAL 300 N 1.01 1.30 -0.15 1.51 2.07 -1.24 -2.24 116.25 118.51 1p4j h VAL 300 Ca 0.19 -1.15 -0.01 0.00 0.82 0.00 0.00 66.70 66.55 1p4j h VAL 300 Cb 0.50 1.59 -0.01 0.00 -1.52 0.00 0.00 31.29 31.85 1p4j h VAL 300 CO 0.02 0.35 0.04 0.00 0.02 0.00 0.00 177.57 178.00 1p4j h ALA 301 N 0.72 0.20 -0.42 1.67 0.00 -0.51 -1.69 119.26 119.21 1p4j h ALA 301 Ca 0.05 -0.14 -0.04 0.00 0.00 0.00 0.00 54.91 54.78 1p4j h ALA 301 Cb 0.58 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.29 1p4j h ALA 301 CO 0.03 -0.16 0.11 0.00 0.00 0.00 0.00 179.25 179.23 1p4j h ALA 302 N 0.84 0.56 -0.05 0.00 0.00 -1.57 -2.85 119.26 116.18 1p4j h ALA 302 Ca 0.05 -0.19 -0.00 0.00 0.00 0.00 0.00 54.91 54.77 1p4j h ALA 302 Cb 0.26 -0.16 -0.00 0.00 0.00 0.00 0.00 17.79 17.89 1p4j h ALA 302 CO 0.00 0.23 0.03 1.15 0.00 0.00 0.00 179.25 180.66 1p4j h THR 303 N 0.55 1.05 -0.38 0.00 2.02 -1.38 -2.45 112.91 112.32 1p4j h THR 303 Ca 0.13 -0.12 -0.02 0.00 0.77 0.00 0.00 66.41 67.17 1p4j h THR 303 Cb 0.30 1.03 -0.02 0.00 -1.74 0.00 0.00 68.15 67.72 1p4j h THR 303 CO -0.00 0.04 0.16 -0.07 0.37 0.00 0.00 175.52 176.02 1p4j h LEU 304 N 0.03 0.47 -0.68 2.58 3.38 -1.31 0.22 115.31 120.00 1p4j h LEU 304 Ca 0.02 -0.04 -0.10 0.00 0.09 0.00 0.00 57.88 57.85 1p4j h LEU 304 Cb 0.04 -0.12 -0.02 0.00 0.09 0.00 0.00 40.66 40.65 1p4j h LEU 304 CO -0.00 0.42 -0.08 1.56 0.09 0.00 0.00 178.44 180.43 1p4j h GLN 305 N 0.53 0.94 -0.52 1.13 4.20 -1.35 -1.44 115.11 118.60 1p4j h GLN 305 Ca 0.13 -0.32 -0.08 0.00 0.06 0.00 0.00 58.65 58.44 1p4j h GLN 305 Cb 0.10 -0.08 -0.02 0.00 0.30 0.00 0.00 27.48 27.78 1p4j h GLN 305 CO -0.02 0.98 -0.00 0.22 -0.67 0.00 0.00 178.83 179.34 1p4j h ASP 306 N 0.85 0.91 -0.32 1.46 -0.00 -0.86 -1.23 116.42 117.22 1p4j h ASP 306 Ca 0.14 -0.31 -0.02 0.00 -0.00 0.00 0.00 57.03 56.84 1p4j h ASP 306 Cb 0.61 -0.24 -0.01 0.00 -0.00 0.00 0.00 39.33 39.68 1p4j h ASP 306 CO 0.04 0.99 0.12 0.40 -0.00 0.00 0.00 179.24 180.79 1p4j h ILE 307 N 0.79 1.19 -0.32 2.25 2.04 -0.78 -1.85 117.51 120.84 1p4j h ILE 307 Ca 0.15 -0.61 -0.06 0.00 1.00 0.00 0.00 64.86 65.34 1p4j h ILE 307 Cb 0.53 0.99 -0.01 0.00 -0.74 0.00 0.00 36.82 37.59 1p4j h ILE 307 CO 0.03 0.21 -0.02 0.40 0.00 0.00 0.00 178.15 178.77 1p4j h ILE 308 N 0.37 1.26 -0.24 -0.67 2.04 -1.22 -0.90 117.51 118.16 1p4j h ILE 308 Ca 0.11 -1.00 0.05 0.00 1.00 0.00 0.00 64.86 65.02 1p4j h ILE 308 Cb 0.21 1.27 -0.05 0.00 -0.74 0.00 0.00 36.82 37.52 1p4j h ILE 308 CO -0.01 0.32 -0.08 -0.09 0.00 0.00 0.00 178.15 178.30 1p4j h ARG 309 N 0.37 -0.02 -0.54 2.37 2.43 -1.15 0.17 114.38 118.01 1p4j h ARG 309 Ca 0.09 0.00 -0.01 0.00 -0.81 0.00 0.00 59.98 59.25 1p4j h ARG 309 Cb 0.47 0.01 -0.03 0.00 -0.42 0.00 0.00 29.97 30.00 1p4j h ARG 309 CO 0.02 -0.02 0.31 -0.09 -1.51 0.00 0.00 179.97 178.68 1p4j h ARG 310 N -0.02 0.73 -0.22 0.20 2.43 -1.21 -1.94 114.38 114.34 1p4j h ARG 310 Ca 0.12 -0.07 -0.13 0.00 -0.81 0.00 0.00 59.98 59.09 1p4j h ARG 310 Cb 0.20 -0.15 -0.01 0.00 -0.42 0.00 0.00 29.97 29.59 1p4j h ARG 310 CO -0.26 0.53 -0.42 0.35 -1.51 0.00 0.00 179.97 178.66 1p4j h PHE 311 N 0.74 0.63 0.00 2.20 3.57 0.22 -2.93 116.94 121.37 1p4j h PHE 311 Ca 0.19 -0.19 0.00 0.00 3.53 0.00 0.00 57.97 61.51 1p4j h PHE 311 Cb 0.00 -0.13 0.00 0.00 2.79 0.00 0.00 35.95 38.61 1p4j h PHE 311 CO 0.00 0.86 0.00 1.63 -2.23 0.00 0.00 178.31 178.58 1p4j n LYS 312 N -4.02 0.08 -0.46 1.11 5.02 0.47 -2.98 118.16 117.38 1p4j n LYS 312 Ca -0.02 0.11 0.09 0.00 -2.02 0.00 0.00 58.31 56.47 1p4j n LYS 312 Cb 0.52 -1.60 0.31 0.00 -0.02 0.00 0.00 35.03 34.24 1p4j n LYS 312 CO 0.00 0.00 0.00 0.43 -0.52 0.00 0.00 177.40 177.31 1p4j n SER 313 N -1.74 4.18 0.29 4.39 7.64 -0.90 -5.07 113.62 122.41 1p4j n SER 313 Ca 0.06 -2.28 -0.12 0.00 1.01 0.00 0.00 58.87 57.54 1p4j n SER 313 Cb 0.34 -0.49 -0.05 0.00 -1.01 0.00 0.00 64.21 62.99 1p4j n SER 313 CO 0.00 0.00 0.00 0.28 -3.01 0.00 0.00 175.04 172.31 1p4j h SER 314 N 3.65 -0.64 -2.16 6.43 0.02 -1.51 -3.50 113.55 115.85 1p4j h SER 314 Ca 0.00 0.02 -0.58 0.00 -0.84 0.00 0.00 61.79 60.39 1p4j h SER 314 Cb 1.20 0.16 -0.40 0.00 0.14 0.00 0.00 62.40 63.51 1p4j h SER 314 CO 0.13 -0.37 -0.93 0.41 -1.14 0.00 0.00 176.83 174.92 1p4j n THR 324 N -4.47 0.17 -3.84 -2.27 -1.04 -1.26 -5.10 114.28 96.48 1p4j n THR 324 Ca -0.09 -4.30 -0.30 0.00 -2.04 0.00 0.00 64.05 57.31 1p4j n THR 324 Cb 0.30 -1.97 -0.15 0.00 -1.82 0.00 0.00 70.33 66.68 1p4j n THR 324 CO 0.00 0.00 0.00 0.21 -0.64 0.00 0.00 175.07 174.64 1p4j s ASN 325 N -1.38 4.12 0.00 8.00 3.84 -1.26 -4.96 114.94 123.30 1p4j s ASN 325 Ca 0.35 -1.64 0.00 0.00 0.21 0.00 0.00 52.86 51.78 1p4j s ASN 325 Cb 0.14 -1.10 0.00 0.00 -0.55 0.00 0.00 41.25 39.74 1p4j s ASN 325 CO -0.10 -0.37 0.09 0.49 -2.79 0.00 0.00 177.10 174.42 1p4j n PHE 326 N 4.68 0.00 -0.02 0.43 3.72 -1.26 -2.13 117.46 122.88 1p4j n PHE 326 Ca -0.03 0.00 -0.05 0.00 -0.05 0.00 0.00 57.45 57.33 1p4j n PHE 326 Cb 0.43 0.00 0.17 0.00 -0.94 0.00 0.00 39.48 39.14 1p4j n PHE 326 CO 0.00 0.00 0.00 -0.44 -0.05 0.00 0.00 176.76 176.27 1p4j h ASP 327 N 0.00 0.58 0.08 4.37 5.19 -1.97 -2.09 116.42 122.58 1p4j h ASP 327 Ca 0.00 -0.19 0.00 0.00 -0.62 0.00 0.00 57.03 56.22 1p4j h ASP 327 Cb 0.00 -0.16 0.00 0.00 0.18 0.00 0.00 39.33 39.35 1p4j h ASP 327 CO 0.00 0.80 -0.08 0.00 -3.12 0.00 0.00 179.24 176.84 1p4j n ALA 328 N -2.49 2.73 -0.10 3.45 0.00 -0.90 -4.30 120.51 118.90 1p4j n ALA 328 Ca 0.00 -0.41 -0.06 0.00 0.00 0.00 0.00 53.44 52.97 1p4j n ALA 328 Cb 0.40 -1.18 0.01 0.00 0.00 0.00 0.00 19.45 18.68 1p4j n ALA 328 CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 177.50 177.85 1p4j h PHE 329 N 1.83 -0.31 0.00 0.00 3.04 -1.56 -0.24 116.94 119.70 1p4j h PHE 329 Ca 0.00 0.04 0.00 0.00 3.98 0.00 0.00 57.97 61.99 1p4j h PHE 329 Cb 0.47 0.19 0.00 0.00 2.56 0.00 0.00 35.95 39.17 1p4j h PHE 329 CO 0.00 -0.20 0.00 -1.35 -2.02 0.00 0.00 178.31 174.74 1p4j h PRO 330 N -0.06 0.00 0.00 6.41 0.11 -1.76 0.15 132.00 136.85 1p4j h PRO 330 Ca 0.18 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 66.28 1p4j h PRO 330 Cb 0.33 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 31.44 1p4j h PRO 330 CO -0.40 0.00 -0.36 -0.44 -0.21 0.00 0.00 178.00 176.59 1p4j h ASP 331 N 0.00 0.00 -0.00 -2.05 3.32 -1.32 -3.34 116.42 113.03 1p4j h ASP 331 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1p4j h ASP 331 Cb 0.23 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.78 1p4j h ASP 331 CO 0.00 0.05 -0.34 0.29 -1.72 0.00 0.00 179.24 177.52 1p4j n LYS 332 N -2.98 4.36 -4.18 3.56 4.76 -0.72 -4.58 118.16 118.38 1p4j n LYS 332 Ca 0.02 -0.03 -0.17 0.00 -2.87 0.00 0.00 58.31 55.26 1p4j n LYS 332 Cb 0.56 -0.87 -0.15 0.00 -1.84 0.00 0.00 35.03 32.73 1p4j n LYS 332 CO 0.00 0.00 0.00 0.08 -1.37 0.00 0.00 177.40 176.11 1p4j s VAL 333 N -1.68 0.45 -0.04 -0.18 1.01 0.44 -0.96 120.40 119.44 1p4j s VAL 333 Ca 0.03 -0.22 0.01 0.00 0.00 0.00 0.00 61.98 61.80 1p4j s VAL 333 Cb 0.06 -0.39 0.02 0.00 0.00 0.00 0.00 36.38 36.07 1p4j s VAL 333 CO 0.30 0.14 -0.03 0.00 0.00 0.00 0.00 175.10 175.51 1p4j s ALA 334 N 0.01 0.61 -0.18 5.51 0.00 -0.62 -4.49 121.76 122.60 1p4j s ALA 334 Ca 0.00 -0.03 0.01 0.00 0.00 0.00 0.00 51.96 51.95 1p4j s ALA 334 Cb -0.04 -0.44 0.02 0.00 0.00 0.00 0.00 23.12 22.66 1p4j s ALA 334 CO -0.00 -0.08 -0.19 0.42 0.00 0.00 0.00 175.76 175.91 1p4j s ILE 335 N 1.06 2.15 -0.24 0.00 1.01 -0.07 -0.27 121.20 124.84 1p4j s ILE 335 Ca -0.09 -0.91 -0.08 0.00 0.00 0.00 0.00 60.65 59.56 1p4j s ILE 335 Cb -0.14 -1.90 -0.04 0.00 0.01 0.00 0.00 42.46 40.39 1p4j s ILE 335 CO -0.01 0.53 0.10 -1.58 0.00 0.00 0.00 174.94 173.99 1p4j s GLN 336 N 1.27 3.80 -0.43 2.79 2.00 -0.00 -1.75 119.66 127.33 1p4j s GLN 336 Ca 0.04 -0.41 -0.21 0.00 -2.00 0.00 0.00 55.36 52.79 1p4j s GLN 336 Cb -0.13 -3.40 0.02 0.00 0.80 0.00 0.00 33.01 30.30 1p4j s GLN 336 CO -0.12 -0.09 0.65 -0.51 -0.50 0.00 0.00 175.29 174.72 1p4j s LEU 337 N 1.41 4.46 -0.90 3.68 1.02 -0.01 -1.59 118.68 126.74 1p4j s LEU 337 Ca 0.06 -0.29 -0.24 0.00 0.02 0.00 0.00 54.13 53.69 1p4j s LEU 337 Cb -0.15 -2.75 0.05 0.00 0.02 0.00 0.00 46.19 43.36 1p4j s LEU 337 CO 0.05 -0.78 1.33 0.21 0.02 0.00 0.00 176.35 177.19 1p4j s ASN 338 N 2.00 6.39 0.23 2.29 2.47 -0.83 -2.00 114.94 125.49 1p4j s ASN 338 Ca 0.23 -1.19 0.00 0.00 0.42 0.00 0.00 52.86 52.32 1p4j s ASN 338 Cb -0.14 -2.54 0.00 0.00 -1.45 0.00 0.00 41.25 37.12 1p4j s ASN 338 CO 0.19 -1.55 0.00 -0.67 -3.72 0.00 0.00 177.10 171.35 1p4j n ASP 339 N 8.70 -1.27 -0.26 -4.21 4.64 -0.62 -4.19 116.55 119.35 1p4j n ASP 339 Ca 0.21 0.00 0.13 0.00 -1.38 0.00 0.00 54.79 53.75 1p4j n ASP 339 Cb 0.50 0.00 0.43 0.00 -1.04 0.00 0.00 41.12 41.01 1p4j n ASP 339 CO 0.00 0.00 0.00 0.35 -0.82 0.00 0.00 177.20 176.73 1p4j n THR 340 N -0.38 0.00 -0.33 5.18 -2.24 -1.26 -4.35 114.28 110.90 1p4j n THR 340 Ca 0.00 -0.13 0.15 0.00 -2.27 0.00 0.00 64.05 61.80 1p4j n THR 340 Cb 0.00 0.34 0.34 0.00 -2.10 0.00 0.00 70.33 68.91 1p4j n THR 340 CO 0.00 0.00 0.00 0.45 -0.57 0.00 0.00 175.07 174.95 1p4j h HIS 341 N 1.26 0.92 -0.68 4.78 3.86 -1.96 0.17 115.15 123.49 1p4j h HIS 341 Ca 0.00 0.04 -0.19 0.00 -1.16 0.00 0.00 60.37 59.05 1p4j h HIS 341 Cb 0.48 -0.26 -0.12 0.00 1.06 0.00 0.00 27.41 28.58 1p4j h HIS 341 CO 0.00 0.08 0.22 -0.35 0.86 0.00 0.00 177.93 178.74 1p4j n PRO 342 N -4.90 3.60 0.20 2.45 -0.04 -1.26 -4.64 135.00 130.41 1p4j n PRO 342 Ca 0.24 -3.09 0.17 0.00 -0.04 0.00 0.00 63.50 60.78 1p4j n PRO 342 Cb 0.67 -2.17 0.82 0.00 -0.04 0.00 0.00 33.50 32.78 1p4j n PRO 342 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 1p4j h SER 343 N 2.55 0.00 0.14 3.54 4.64 -0.91 -1.35 113.55 122.15 1p4j h SER 343 Ca 0.24 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.56 1p4j h SER 343 Cb 2.23 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 64.32 1p4j h SER 343 CO 0.68 0.00 0.00 0.18 -0.87 0.00 0.00 176.83 176.82 1p4j n LEU 344 N -3.86 0.00 0.13 5.97 4.77 -1.26 -1.94 117.00 120.81 1p4j n LEU 344 Ca 0.02 0.28 0.04 0.00 -0.03 0.00 0.00 56.01 56.32 1p4j n LEU 344 Cb 0.32 -0.28 0.45 0.00 -2.33 0.00 0.00 43.42 41.58 1p4j n LEU 344 CO 0.28 -0.22 0.97 0.00 -1.33 0.00 0.00 177.39 177.10 1p4j h ALA 345 N 2.34 1.65 0.44 -1.18 0.00 -1.61 -0.99 119.26 119.92 1p4j h ALA 345 Ca 0.00 -0.13 -0.02 0.00 0.00 0.00 0.00 54.91 54.76 1p4j h ALA 345 Cb 0.07 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.78 1p4j h ALA 345 CO 0.00 0.26 -0.21 0.82 0.00 0.00 0.00 179.25 180.12 1p4j h ILE 346 N 0.22 0.48 0.00 0.00 2.04 -1.64 -0.11 117.51 118.51 1p4j h ILE 346 Ca 0.05 -0.44 -0.07 0.00 1.00 0.00 0.00 64.86 65.40 1p4j h ILE 346 Cb 0.22 0.66 -0.01 0.00 -0.74 0.00 0.00 36.82 36.95 1p4j h ILE 346 CO 0.01 0.07 -0.33 1.55 0.00 0.00 0.00 178.15 179.45 1p4j h PRO 347 N -0.89 0.00 -0.39 2.37 0.13 -1.73 -2.56 132.00 128.93 1p4j h PRO 347 Ca -0.06 0.00 -0.13 0.00 -0.87 0.00 0.00 66.00 64.94 1p4j h PRO 347 Cb 0.57 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.69 1p4j h PRO 347 CO 0.10 0.33 -0.28 1.49 -0.23 0.00 0.00 178.00 179.41 1p4j h GLU 348 N 0.00 0.87 -0.69 0.86 4.57 -1.14 0.55 114.58 119.60 1p4j h GLU 348 Ca -0.00 -0.42 -0.05 0.00 -1.18 0.00 0.00 59.36 57.71 1p4j h GLU 348 Cb 0.83 -0.00 -0.03 0.00 -0.16 0.00 0.00 28.75 29.38 1p4j h GLU 348 CO 0.04 1.06 0.23 1.25 -1.18 0.00 0.00 179.01 180.41 1p4j h LEU 349 N 0.67 0.99 -0.44 1.64 5.85 -0.86 -1.23 115.31 121.93 1p4j h LEU 349 Ca 0.07 -0.20 -0.02 0.00 0.84 0.00 0.00 57.88 58.57 1p4j h LEU 349 Cb 0.85 -0.26 -0.02 0.00 0.37 0.00 0.00 40.66 41.61 1p4j h LEU 349 CO 0.07 0.93 0.20 0.24 -0.34 0.00 0.00 178.44 179.54 1p4j h MET 350 N 1.00 0.63 -0.22 1.25 2.86 -1.27 -1.02 114.93 118.16 1p4j h MET 350 Ca 0.22 -0.10 0.04 0.00 -2.06 0.00 0.00 59.70 57.80 1p4j h MET 350 Cb 0.28 -0.11 -0.04 0.00 0.06 0.00 0.00 31.60 31.79 1p4j h MET 350 CO -0.01 0.56 -0.04 -0.09 1.06 0.00 0.00 176.91 178.39 1p4j h ARG 351 N 0.56 0.02 -0.01 1.72 2.43 -0.50 0.18 114.38 118.78 1p4j h ARG 351 Ca 0.15 -0.00 -0.00 0.00 -0.81 0.00 0.00 59.98 59.32 1p4j h ARG 351 Cb 0.14 -0.01 -0.00 0.00 -0.42 0.00 0.00 29.97 29.69 1p4j h ARG 351 CO -0.02 0.02 0.00 0.28 -1.51 0.00 0.00 179.97 178.74 1p4j h VAL 352 N 0.02 1.08 -0.68 0.20 2.07 -1.04 0.17 116.25 118.07 1p4j h VAL 352 Ca 0.11 -0.25 -0.06 0.00 0.82 0.00 0.00 66.70 67.32 1p4j h VAL 352 Cb 0.15 1.24 -0.03 0.00 -1.52 0.00 0.00 31.29 31.13 1p4j h VAL 352 CO -0.21 0.07 0.20 -0.07 0.02 0.00 0.00 177.57 177.57 1p4j h LEU 353 N -0.09 0.98 0.00 2.57 3.38 -0.94 0.40 115.31 121.61 1p4j h LEU 353 Ca 0.00 -0.18 -0.04 0.00 0.09 0.00 0.00 57.88 57.75 1p4j h LEU 353 Cb 0.10 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 40.59 1p4j h LEU 353 CO -0.00 0.92 -0.35 0.58 0.09 0.00 0.00 178.44 179.68 1p4j h VAL 354 N 1.01 0.48 -0.32 1.22 2.07 -0.62 0.14 116.25 120.24 1p4j h VAL 354 Ca 0.22 -1.44 -0.18 0.00 0.82 0.00 0.00 66.70 66.12 1p4j h VAL 354 Cb 0.30 0.99 -0.00 0.00 -1.52 0.00 0.00 31.29 31.06 1p4j h VAL 354 CO -0.01 0.16 -0.49 0.44 0.02 0.00 0.00 177.57 177.69 1p4j h ASP 355 N -1.00 0.99 0.01 0.57 3.45 -0.79 -2.83 116.42 116.81 1p4j h ASP 355 Ca -0.06 -0.50 -0.41 0.00 0.43 0.00 0.00 57.03 56.49 1p4j h ASP 355 Cb 0.54 -0.28 -0.06 0.00 -0.56 0.00 0.00 39.33 38.97 1p4j h ASP 355 CO -0.03 1.30 -2.30 0.18 -1.57 0.00 0.00 179.24 176.83 1p4j n LEU 356 N -4.02 2.19 0.09 1.55 4.77 -0.54 -4.49 117.00 116.55 1p4j n LEU 356 Ca -0.04 0.25 0.13 0.00 -0.03 0.00 0.00 56.01 56.32 1p4j n LEU 356 Cb 0.60 -0.88 0.30 0.00 -2.33 0.00 0.00 43.42 41.12 1p4j n LEU 356 CO 0.50 0.62 0.67 -0.33 -1.33 0.00 0.00 177.39 177.52 1p4j h GLU 357 N -0.73 0.00 -1.84 3.23 4.39 -1.00 -3.48 114.58 115.15 1p4j h GLU 357 Ca -0.61 0.00 -0.23 0.00 0.34 0.00 0.00 59.36 58.86 1p4j h GLU 357 Cb 1.65 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 30.30 1p4j h GLU 357 CO -0.29 0.00 -0.31 0.54 -1.16 0.00 0.00 179.01 177.79 1p4j n ARG 358 N -2.24 -1.22 -2.12 2.33 5.12 -0.73 -4.96 116.66 112.83 1p4j n ARG 358 Ca 0.05 0.56 -0.32 0.00 -1.93 0.00 0.00 57.85 56.21 1p4j n ARG 358 Cb 0.44 -4.70 -0.01 0.00 -1.16 0.00 0.00 32.46 27.03 1p4j n ARG 358 CO 0.00 0.00 0.00 -0.51 -1.93 0.00 0.00 177.63 175.19 1p4j s LEU 359 N -3.48 3.44 0.57 0.55 1.02 0.42 -4.97 118.68 116.23 1p4j s LEU 359 Ca 0.03 1.54 -0.17 0.00 0.02 0.00 0.00 54.13 55.54 1p4j s LEU 359 Cb -0.01 -4.50 -0.05 0.00 0.02 0.00 0.00 46.19 41.66 1p4j s LEU 359 CO 0.03 -0.79 1.07 1.51 0.02 0.00 0.00 176.35 178.19 1p4j s ASP 360 N -3.51 5.83 0.14 2.29 -4.77 -1.26 -4.43 116.67 110.96 1p4j s ASP 360 Ca 0.58 1.90 -0.29 0.00 -3.30 0.00 0.00 52.55 51.44 1p4j s ASP 360 Cb -0.11 -2.55 -0.04 0.00 -1.09 0.00 0.00 42.92 39.13 1p4j s ASP 360 CO 0.42 -1.13 1.57 -0.25 0.70 0.00 0.00 175.17 176.47 1p4j h TRP 361 N 0.73 -1.37 -0.89 2.11 2.91 -1.97 -1.62 115.95 115.86 1p4j h TRP 361 Ca -0.48 0.07 0.15 0.00 1.13 0.00 0.00 58.89 59.76 1p4j h TRP 361 Cb 1.23 0.64 -0.10 0.00 -0.51 0.00 0.00 29.16 30.42 1p4j h TRP 361 CO 0.57 -0.47 0.49 -0.44 -1.03 0.00 0.00 178.44 177.56 1p4j h ASP 362 N -0.40 0.62 -0.30 2.65 3.45 -1.99 0.10 116.42 120.54 1p4j h ASP 362 Ca 0.10 0.09 -0.07 0.00 0.43 0.00 0.00 57.03 57.58 1p4j h ASP 362 Cb 0.61 -0.02 -0.01 0.00 -0.56 0.00 0.00 39.33 39.35 1p4j h ASP 362 CO -0.53 0.26 -0.08 0.50 -1.57 0.00 0.00 179.24 177.82 1p4j h LYS 363 N 0.69 0.59 -0.63 3.56 1.63 -1.82 -2.08 116.57 118.50 1p4j h LYS 363 Ca 0.49 -0.23 -0.01 0.00 -0.85 0.00 0.00 60.65 60.05 1p4j h LYS 363 Cb 0.68 -0.03 -0.03 0.00 -0.60 0.00 0.00 32.23 32.25 1p4j h LYS 363 CO -0.36 0.78 0.36 0.00 -3.45 0.00 0.00 179.45 176.78 1p4j h ALA 364 N 0.79 0.80 -0.70 5.00 0.00 -0.35 -2.00 119.26 122.80 1p4j h ALA 364 Ca 0.08 -0.09 -0.03 0.00 0.00 0.00 0.00 54.91 54.87 1p4j h ALA 364 Cb 0.57 -0.25 -0.03 0.00 0.00 0.00 0.00 17.79 18.07 1p4j h ALA 364 CO 0.03 0.31 0.33 2.35 0.00 0.00 0.00 179.25 182.27 1p4j h TRP 365 N 0.86 1.02 -0.27 0.00 2.91 -0.75 0.03 115.95 119.74 1p4j h TRP 365 Ca 0.22 -0.05 0.00 0.00 1.13 0.00 0.00 58.89 60.19 1p4j h TRP 365 Cb 0.02 -0.31 -0.01 0.00 -0.51 0.00 0.00 29.16 28.34 1p4j h TRP 365 CO -0.01 0.76 0.17 1.49 -1.03 0.00 0.00 178.44 179.82 1p4j h GLU 366 N 0.98 0.34 -0.06 2.65 4.81 -1.07 -1.02 114.58 121.21 1p4j h GLU 366 Ca 0.24 -0.02 -0.00 0.00 -0.13 0.00 0.00 59.36 59.45 1p4j h GLU 366 Cb 0.13 -0.08 -0.00 0.00 0.63 0.00 0.00 28.75 29.43 1p4j h GLU 366 CO -0.03 0.23 0.03 0.28 -0.73 0.00 0.00 179.01 178.79 1p4j h VAL 367 N 0.35 1.07 -0.10 0.32 2.07 -1.01 -2.38 116.25 116.58 1p4j h VAL 367 Ca 0.10 -0.21 0.04 0.00 0.82 0.00 0.00 66.70 67.44 1p4j h VAL 367 Cb -0.03 1.10 -0.04 0.00 -1.52 0.00 0.00 31.29 30.80 1p4j h VAL 367 CO -0.03 0.06 -0.13 0.74 0.02 0.00 0.00 177.57 178.23 1p4j h THR 368 N 0.02 0.65 -0.86 2.57 2.02 -0.77 -1.75 112.91 114.78 1p4j h THR 368 Ca 0.02 0.00 0.01 0.00 0.77 0.00 0.00 66.41 67.21 1p4j h THR 368 Cb 0.07 0.65 -0.04 0.00 -1.74 0.00 0.00 68.15 67.08 1p4j h THR 368 CO -0.00 0.00 0.57 0.58 0.37 0.00 0.00 175.52 177.04 1p4j h VAL 369 N -0.17 1.22 0.00 3.16 2.07 -1.15 -0.96 116.25 120.42 1p4j h VAL 369 Ca 0.08 -0.41 0.00 0.00 0.82 0.00 0.00 66.70 67.19 1p4j h VAL 369 Cb 0.29 -0.05 0.00 0.00 -1.52 0.00 0.00 31.29 30.01 1p4j h VAL 369 CO -0.20 0.22 0.00 0.11 0.02 0.00 0.00 177.57 177.71 1p4j h LYS 370 N 1.17 0.00 0.06 1.57 1.57 -1.15 -2.20 116.57 117.60 1p4j h LYS 370 Ca 0.32 0.00 -0.33 0.00 -1.87 0.00 0.00 60.65 58.77 1p4j h LYS 370 Cb -0.13 0.00 -0.04 0.00 0.08 0.00 0.00 32.23 32.14 1p4j h LYS 370 CO -0.07 0.00 -1.88 2.41 -0.57 0.00 0.00 179.45 179.34 1p4j n THR 371 N -3.07 1.69 -3.59 -0.16 -1.04 -0.68 -4.90 114.28 102.52 1p4j n THR 371 Ca 0.01 -0.73 -0.36 0.00 -2.04 0.00 0.00 64.05 60.93 1p4j n THR 371 Cb 0.33 -1.36 -0.06 0.00 -1.82 0.00 0.00 70.33 67.42 1p4j n THR 371 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1p4j s ALA 373 N -1.25 0.14 -0.06 0.00 0.00 -0.72 -1.39 121.76 118.49 1p4j s ALA 373 Ca 0.28 -0.15 0.06 0.00 0.00 0.00 0.00 51.96 52.14 1p4j s ALA 373 Cb -0.15 -0.01 -0.01 0.00 0.00 0.00 0.00 23.12 22.96 1p4j s ALA 373 CO 0.15 0.01 -0.24 -0.47 0.00 0.00 0.00 175.76 175.20 1p4j s TYR 374 N -0.25 2.39 -0.18 0.00 6.14 -0.26 -0.83 117.35 124.35 1p4j s TYR 374 Ca -0.02 -0.72 -0.02 0.00 0.64 0.00 0.00 57.07 56.95 1p4j s TYR 374 Cb -0.02 -1.57 -0.01 0.00 0.42 0.00 0.00 41.96 40.78 1p4j s TYR 374 CO -0.00 -0.22 -0.08 0.99 0.64 0.00 0.00 175.55 176.87 1p4j s THR 375 N -0.12 3.18 -0.02 4.34 2.01 -0.85 -1.78 115.64 122.39 1p4j s THR 375 Ca -0.04 -0.58 -0.14 0.00 0.31 0.00 0.00 61.69 61.24 1p4j s THR 375 Cb -0.14 -2.40 -0.05 0.00 0.01 0.00 0.00 72.50 69.92 1p4j s THR 375 CO 0.04 0.47 0.37 0.21 -0.69 0.00 0.00 174.62 175.02 1p4j s ASN 376 N 1.05 6.75 0.00 3.53 3.84 -0.51 -1.58 114.94 128.01 1p4j s ASN 376 Ca -0.00 0.89 0.00 0.00 0.21 0.00 0.00 52.86 53.96 1p4j s ASN 376 Cb -0.15 -2.23 0.00 0.00 -0.55 0.00 0.00 41.25 38.33 1p4j s ASN 376 CO -0.01 0.32 0.76 1.41 -2.79 0.00 0.00 177.10 176.79 1p4j n HIS 377 N 1.93 0.00 -3.56 0.43 8.25 -1.26 -4.08 115.22 116.93 1p4j n HIS 377 Ca -0.15 -0.27 -0.08 0.00 -0.26 0.00 0.00 57.72 56.97 1p4j n HIS 377 Cb 0.53 -0.03 -0.03 0.00 1.12 0.00 0.00 29.99 31.58 1p4j n HIS 377 CO 0.00 0.00 0.00 -0.08 0.64 0.00 0.00 176.34 176.90 1p4j s THR 378 N -0.54 0.00 -0.41 1.59 -1.32 -1.26 -4.56 115.64 109.14 1p4j s THR 378 Ca 0.00 0.00 0.04 0.00 -1.21 0.00 0.00 61.69 60.52 1p4j s THR 378 Cb 0.00 -1.00 0.02 0.00 -1.51 0.00 0.00 72.50 70.01 1p4j s THR 378 CO 0.00 0.00 0.52 1.33 -2.21 0.00 0.00 174.62 174.26 1p4j n VAL 379 N 0.15 0.00 -2.12 5.08 0.24 -1.26 -4.99 118.33 115.42 1p4j n VAL 379 Ca -0.06 -0.48 -0.42 0.00 -2.04 0.00 0.00 64.34 61.33 1p4j n VAL 379 Cb 0.59 1.06 -0.03 0.00 -1.47 0.00 0.00 33.84 34.00 1p4j n VAL 379 CO 0.00 0.00 0.00 0.27 -2.14 0.00 0.00 176.83 174.96 1p4j s ILE 380 N -0.54 3.37 0.29 1.34 -4.36 -1.26 -4.91 121.20 115.14 1p4j s ILE 380 Ca 0.04 0.86 0.04 0.00 -0.26 0.00 0.00 60.65 61.33 1p4j s ILE 380 Cb 0.03 -3.55 0.29 0.00 1.25 0.00 0.00 42.46 40.48 1p4j s ILE 380 CO 0.07 0.02 1.80 1.55 0.24 0.00 0.00 174.94 178.62 1p4j h PRO 381 N 7.62 0.85 0.00 0.37 0.13 -1.97 -1.58 132.00 137.42 1p4j h PRO 381 Ca -0.40 -0.05 0.00 0.00 -0.87 0.00 0.00 66.00 64.67 1p4j h PRO 381 Cb 1.19 -0.19 0.00 0.00 0.13 0.00 0.00 31.00 32.13 1p4j h PRO 381 CO 0.90 0.56 0.00 -0.85 -0.23 0.00 0.00 178.00 178.38 1p4j n GLU 382 N -4.70 0.07 0.02 0.86 0.00 -1.26 -2.47 120.64 113.16 1p4j n GLU 382 Ca 0.21 0.37 0.11 0.00 0.00 0.00 0.00 57.16 57.85 1p4j n GLU 382 Cb 0.47 -1.66 -0.08 0.00 0.00 0.00 0.00 31.44 30.18 1p4j n GLU 382 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 1p4j n ALA 383 N -1.61 3.37 -2.11 -1.84 0.00 -0.60 -0.53 120.51 117.19 1p4j n ALA 383 Ca 0.02 -0.47 -0.42 0.00 0.00 0.00 0.00 53.44 52.58 1p4j n ALA 383 Cb 0.16 -0.87 -0.03 0.00 0.00 0.00 0.00 19.45 18.71 1p4j n ALA 383 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1p4j s LEU 384 N -4.09 4.39 -0.27 0.00 2.01 -1.03 -4.29 118.68 115.40 1p4j s LEU 384 Ca -0.00 2.36 -0.28 0.00 0.01 0.00 0.00 54.13 56.22 1p4j s LEU 384 Cb 0.14 -3.60 0.01 0.00 0.01 0.00 0.00 46.19 42.76 1p4j s LEU 384 CO 0.85 -0.61 1.02 -1.61 1.01 0.00 0.00 176.35 177.01 1p4j s GLU 385 N 0.64 4.16 -0.35 1.70 2.02 -1.26 -4.80 118.70 120.81 1p4j s GLU 385 Ca 0.62 1.17 -0.00 0.00 0.02 0.00 0.00 54.97 56.78 1p4j s GLU 385 Cb -0.37 -3.68 0.12 0.00 0.10 0.00 0.00 34.13 30.29 1p4j s GLU 385 CO 0.33 -0.72 0.15 1.03 0.02 0.00 0.00 175.26 176.07 1p4j s ARG 386 N 3.32 0.80 -0.03 1.61 0.52 -1.26 -2.13 118.95 121.79 1p4j s ARG 386 Ca 0.43 -1.32 -0.26 0.00 -0.52 0.00 0.00 55.73 54.06 1p4j s ARG 386 Cb -0.14 -1.92 -0.04 0.00 0.52 0.00 0.00 34.95 33.37 1p4j s ARG 386 CO 0.10 -1.07 0.82 -1.58 0.02 0.00 0.00 175.30 173.59 1p4j s TRP 387 N 1.23 3.63 0.25 -0.53 0.52 -0.98 -4.73 118.94 118.33 1p4j s TRP 387 Ca 0.13 1.46 -0.31 0.00 0.02 0.00 0.00 56.10 57.40 1p4j s TRP 387 Cb -0.20 -2.94 -0.11 0.00 -1.15 0.00 0.00 33.47 29.07 1p4j s TRP 387 CO -0.15 0.07 1.62 -2.14 0.02 0.00 0.00 176.95 176.36 1p4j s PRO 388 N 0.80 4.15 0.28 4.98 0.02 -1.26 -0.62 135.00 143.34 1p4j s PRO 388 Ca 0.44 2.54 0.00 0.00 0.02 0.00 0.00 61.00 64.00 1p4j s PRO 388 Cb -0.19 -3.06 0.50 0.00 0.02 0.00 0.00 34.50 31.77 1p4j s PRO 388 CO 0.23 -0.65 1.88 0.28 -0.33 0.00 0.00 177.00 178.40 1p4j h VAL 389 N 3.61 1.02 0.00 3.83 2.07 -1.55 -1.71 116.25 123.52 1p4j h VAL 389 Ca -0.45 -0.37 -0.01 0.00 0.82 0.00 0.00 66.70 66.70 1p4j h VAL 389 Cb 1.21 -0.14 -0.00 0.00 -1.52 0.00 0.00 31.29 30.84 1p4j h VAL 389 CO 0.86 0.19 -0.02 1.12 0.02 0.00 0.00 177.57 179.74 1p4j h HIS 390 N 1.07 0.00 -0.00 1.57 2.07 -1.91 0.25 115.15 118.20 1p4j h HIS 390 Ca 0.44 0.00 -0.05 0.00 -2.85 0.00 0.00 60.37 57.92 1p4j h HIS 390 Cb 0.30 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.28 1p4j h HIS 390 CO -0.00 0.02 -0.17 -0.07 -3.07 0.00 0.00 177.93 174.64 1p4j h LEU 391 N 0.00 0.16 -1.10 6.12 3.38 -1.69 -2.91 115.31 119.27 1p4j h LEU 391 Ca -0.00 -0.77 -0.07 0.00 0.09 0.00 0.00 57.88 57.12 1p4j h LEU 391 Cb 0.07 -0.05 -0.01 0.00 0.09 0.00 0.00 40.66 40.75 1p4j h LEU 391 CO 0.00 0.91 -0.16 -0.07 0.09 0.00 0.00 178.44 179.21 1p4j h LEU 392 N -0.57 0.44 -1.12 1.67 3.38 -1.32 -1.03 115.31 116.74 1p4j h LEU 392 Ca -0.02 -0.12 0.00 0.00 0.09 0.00 0.00 57.88 57.83 1p4j h LEU 392 Cb 0.93 -0.12 -0.04 0.00 0.09 0.00 0.00 40.66 41.52 1p4j h LEU 392 CO 0.03 0.62 0.55 -0.08 0.09 0.00 0.00 178.44 179.65 1p4j h GLU 393 N 0.41 1.14 0.16 1.13 4.81 -0.55 0.15 114.58 121.83 1p4j h GLU 393 Ca 0.07 -0.08 -0.35 0.00 -0.13 0.00 0.00 59.36 58.87 1p4j h GLU 393 Cb 0.53 -0.25 -0.00 0.00 0.63 0.00 0.00 28.75 29.65 1p4j h GLU 393 CO 0.03 0.77 -1.82 1.15 -0.73 0.00 0.00 179.01 178.41 1p4j h THR 394 N 1.17 0.84 0.19 0.32 2.02 -1.29 -3.30 112.91 112.85 1p4j h THR 394 Ca 0.31 -2.48 -0.30 0.00 0.77 0.00 0.00 66.41 64.71 1p4j h THR 394 Cb -0.10 2.67 0.02 0.00 -1.74 0.00 0.00 68.15 69.00 1p4j h THR 394 CO -0.06 0.86 -1.42 0.25 0.37 0.00 0.00 175.52 175.52 1p4j h LEU 395 N 0.09 0.62 -6.00 2.58 5.85 -1.17 -3.37 115.31 113.90 1p4j h LEU 395 Ca -0.36 -0.92 -0.55 0.00 0.84 0.00 0.00 57.88 56.88 1p4j h LEU 395 Cb 2.07 -0.20 -0.40 0.00 0.37 0.00 0.00 40.66 42.50 1p4j h LEU 395 CO 0.15 1.66 -1.02 0.18 -0.34 0.00 0.00 178.44 179.06 1p4j n LEU 396 N -3.80 1.03 -0.34 2.25 4.77 0.50 -0.48 117.00 120.92 1p4j n LEU 396 Ca -0.20 -4.90 0.10 0.00 -0.03 0.00 0.00 56.01 50.97 1p4j n LEU 396 Cb 1.00 0.40 0.27 0.00 -2.33 0.00 0.00 43.42 42.76 1p4j n LEU 396 CO 0.52 2.12 1.17 1.55 -1.33 0.00 0.00 177.39 181.42 1p4j h PRO 397 N 3.82 0.74 -0.38 3.23 0.13 -1.61 -2.18 132.00 135.75 1p4j h PRO 397 Ca 0.10 -0.04 -0.16 0.00 -0.87 0.00 0.00 66.00 65.03 1p4j h PRO 397 Cb 0.84 -0.17 -0.01 0.00 0.13 0.00 0.00 31.00 31.80 1p4j h PRO 397 CO 0.54 0.49 -0.38 -0.09 -0.23 0.00 0.00 178.00 178.33 1p4j h ARG 398 N 0.76 0.93 -0.36 0.86 9.65 -1.91 -2.92 114.38 121.39 1p4j h ARG 398 Ca 0.53 -0.49 -0.05 0.00 -1.10 0.00 0.00 59.98 58.87 1p4j h ARG 398 Cb 0.74 0.02 -0.02 0.00 -1.39 0.00 0.00 29.97 29.32 1p4j h ARG 398 CO -0.35 1.15 0.03 0.45 2.80 0.00 0.00 179.97 184.04 1p4j h HIS 399 N 0.75 0.57 -0.56 2.20 3.86 -1.77 -1.84 115.15 118.35 1p4j h HIS 399 Ca 0.06 -0.05 -0.07 0.00 -1.16 0.00 0.00 60.37 59.15 1p4j h HIS 399 Cb 0.98 -0.17 -0.02 0.00 1.06 0.00 0.00 27.41 29.26 1p4j h HIS 399 CO 0.06 0.54 0.08 1.25 0.86 0.00 0.00 177.93 180.72 1p4j h LEU 400 N 0.53 0.90 -0.61 2.43 6.46 -1.33 -0.31 115.31 123.39 1p4j h LEU 400 Ca 0.12 -0.27 -0.02 0.00 -0.12 0.00 0.00 57.88 57.59 1p4j h LEU 400 Cb 0.30 -0.24 -0.03 0.00 -0.73 0.00 0.00 40.66 39.96 1p4j h LEU 400 CO 0.01 0.94 0.31 1.56 -0.62 0.00 0.00 178.44 180.64 1p4j h GLN 401 N 0.83 0.86 -0.62 1.25 4.20 -1.25 -1.41 115.11 118.97 1p4j h GLN 401 Ca 0.17 -0.11 -0.07 0.00 0.06 0.00 0.00 58.65 58.69 1p4j h GLN 401 Cb 0.43 -0.16 -0.03 0.00 0.30 0.00 0.00 27.48 28.03 1p4j h GLN 401 CO 0.01 0.68 0.10 0.82 -0.67 0.00 0.00 178.83 179.77 1p4j h ILE 402 N 0.83 1.25 -0.64 2.54 2.04 -1.05 -2.14 117.51 120.34 1p4j h ILE 402 Ca 0.21 -0.99 -0.06 0.00 1.00 0.00 0.00 64.86 65.02 1p4j h ILE 402 Cb 0.08 0.67 -0.03 0.00 -0.74 0.00 0.00 36.82 36.81 1p4j h ILE 402 CO -0.03 0.37 0.16 0.40 0.00 0.00 0.00 178.15 179.05 1p4j h ILE 403 N 0.95 1.25 -0.65 -0.67 2.04 -0.62 -0.41 117.51 119.39 1p4j h ILE 403 Ca 0.19 -0.91 -0.08 0.00 1.00 0.00 0.00 64.86 65.06 1p4j h ILE 403 Cb 0.41 0.58 -0.03 0.00 -0.74 0.00 0.00 36.82 37.05 1p4j h ILE 403 CO 0.01 0.35 0.09 1.88 0.00 0.00 0.00 178.15 180.48 1p4j h TYR 404 N 0.97 1.17 -0.58 1.37 0.05 -0.98 -0.75 116.97 118.21 1p4j h TYR 404 Ca 0.21 -0.17 -0.09 0.00 0.05 0.00 0.00 58.73 58.73 1p4j h TYR 404 Cb 0.34 -0.32 -0.02 0.00 1.01 0.00 0.00 36.73 37.74 1p4j h TYR 404 CO 0.02 0.99 0.01 1.49 -1.05 0.00 0.00 178.16 179.62 1p4j h GLU 405 N 1.01 1.02 -0.30 4.88 4.57 -1.04 -0.10 114.58 124.63 1p4j h GLU 405 Ca 0.20 -0.32 -0.01 0.00 -1.18 0.00 0.00 59.36 58.04 1p4j h GLU 405 Cb 0.46 -0.09 -0.01 0.00 -0.16 0.00 0.00 28.75 28.94 1p4j h GLU 405 CO 0.02 1.01 0.15 0.82 -1.18 0.00 0.00 179.01 179.83 1p4j h ILE 406 N 0.91 1.14 -0.59 2.32 2.04 -0.84 -1.94 117.51 120.56 1p4j h ILE 406 Ca 0.17 -0.39 0.01 0.00 1.00 0.00 0.00 64.86 65.64 1p4j h ILE 406 Cb 0.54 0.86 -0.03 0.00 -0.74 0.00 0.00 36.82 37.45 1p4j h ILE 406 CO 0.03 0.14 0.38 -1.13 0.00 0.00 0.00 178.15 177.58 1p4j h ASN 407 N 0.35 0.66 0.12 1.72 -1.24 -0.88 -0.02 115.58 116.28 1p4j h ASN 407 Ca 0.10 -0.01 0.01 0.00 0.71 0.00 0.00 56.30 57.11 1p4j h ASN 407 Cb 0.09 -0.16 -0.03 0.00 0.73 0.00 0.00 38.32 38.96 1p4j h ASN 407 CO -0.01 0.47 -0.20 -0.61 -1.29 0.00 0.00 177.43 175.79 1p4j h GLN 408 N 0.78 -0.37 -0.37 6.67 4.15 -0.78 0.02 115.11 125.21 1p4j h GLN 408 Ca 0.22 0.03 -0.10 0.00 0.77 0.00 0.00 58.65 59.57 1p4j h GLN 408 Cb -0.07 0.08 -0.02 0.00 0.21 0.00 0.00 27.48 27.69 1p4j h GLN 408 CO -0.06 -0.25 -0.18 0.00 -1.93 0.00 0.00 178.83 176.42 1p4j h ARG 409 N -0.38 0.69 -0.05 1.69 3.08 -1.18 -2.24 114.38 115.99 1p4j h ARG 409 Ca 0.02 -0.25 -0.00 0.00 0.07 0.00 0.00 59.98 59.82 1p4j h ARG 409 Cb 0.40 -0.05 -0.00 0.00 0.08 0.00 0.00 29.97 30.40 1p4j h ARG 409 CO -0.10 0.83 0.02 0.35 -1.07 0.00 0.00 179.97 179.99 1p4j h PHE 410 N 0.61 0.08 -0.08 3.04 3.57 -0.71 -2.69 116.94 120.77 1p4j h PHE 410 Ca 0.10 -0.01 -0.03 0.00 3.53 0.00 0.00 57.97 61.56 1p4j h PHE 410 Cb 0.65 -0.02 -0.01 0.00 2.79 0.00 0.00 35.95 39.35 1p4j h PHE 410 CO 0.03 0.25 -0.09 -0.07 -2.23 0.00 0.00 178.31 176.20 1p4j h LEU 411 N -0.11 0.11 -1.15 0.59 3.38 -0.93 -0.55 115.31 116.64 1p4j h LEU 411 Ca 0.02 -0.01 -0.05 0.00 0.09 0.00 0.00 57.88 57.92 1p4j h LEU 411 Cb 0.21 -0.03 -0.02 0.00 0.09 0.00 0.00 40.66 40.91 1p4j h LEU 411 CO -0.00 0.21 0.02 0.78 0.09 0.00 0.00 178.44 179.54 1p4j h ASN 412 N 0.11 0.57 -0.45 -0.43 -0.26 -1.18 0.99 115.58 114.92 1p4j h ASN 412 Ca 0.03 -0.11 -0.14 0.00 -0.56 0.00 0.00 56.30 55.52 1p4j h ASN 412 Cb 0.23 -0.15 -0.01 0.00 -1.06 0.00 0.00 38.32 37.33 1p4j h ASN 412 CO 0.01 0.63 -0.25 0.03 -1.06 0.00 0.00 177.43 176.79 1p4j h ARG 413 N 0.58 0.97 -0.22 0.81 3.08 -0.81 -1.97 114.38 116.81 1p4j h ARG 413 Ca 0.12 -0.44 -0.03 0.00 0.07 0.00 0.00 59.98 59.71 1p4j h ARG 413 Cb 0.34 -0.02 -0.01 0.00 0.08 0.00 0.00 29.97 30.37 1p4j h ARG 413 CO 0.01 1.11 0.04 0.28 -1.07 0.00 0.00 179.97 180.33 1p4j h VAL 414 N 0.81 1.23 -0.85 2.04 2.07 -0.75 -2.31 116.25 118.49 1p4j h VAL 414 Ca 0.10 -0.75 0.07 0.00 0.82 0.00 0.00 66.70 66.93 1p4j h VAL 414 Cb 0.84 1.30 -0.06 0.00 -1.52 0.00 0.00 31.29 31.85 1p4j h VAL 414 CO 0.07 0.24 0.55 0.00 0.02 0.00 0.00 177.57 178.45 1p4j h ALA 415 N 0.84 1.58 -0.06 1.67 0.00 -0.74 0.13 119.26 122.68 1p4j h ALA 415 Ca 0.07 -0.02 -0.13 0.00 0.00 0.00 0.00 54.91 54.82 1p4j h ALA 415 Cb 0.32 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.86 1p4j h ALA 415 CO 0.00 0.28 -0.56 0.00 0.00 0.00 0.00 179.25 178.98 1p4j h ALA 416 N 1.54 0.94 0.00 0.00 0.00 -1.18 -2.41 119.26 118.16 1p4j h ALA 416 Ca 0.37 -0.51 -0.23 0.00 0.00 0.00 0.00 54.91 54.54 1p4j h ALA 416 Cb 0.24 -0.09 -0.04 0.00 0.00 0.00 0.00 17.79 17.90 1p4j h ALA 416 CO -0.14 0.70 -1.24 0.00 0.00 0.00 0.00 179.25 178.57 1p4j h ALA 417 N 1.28 0.53 -2.09 0.00 0.00 -0.73 -3.39 119.26 114.86 1p4j h ALA 417 Ca -0.00 -1.08 -0.56 0.00 0.00 0.00 0.00 54.91 53.27 1p4j h ALA 417 Cb 1.03 0.10 -0.40 0.00 0.00 0.00 0.00 17.79 18.51 1p4j h ALA 417 CO 0.08 1.32 -0.92 1.19 0.00 0.00 0.00 179.25 180.93 1p4j n PHE 418 N -3.21 1.44 -1.63 0.00 3.72 0.35 -5.10 117.46 113.02 1p4j n PHE 418 Ca -0.06 -3.83 -0.49 0.00 -0.05 0.00 0.00 57.45 53.02 1p4j n PHE 418 Cb 0.96 -0.44 -0.05 0.00 -0.94 0.00 0.00 39.48 39.02 1p4j n PHE 418 CO 0.00 0.00 0.00 -2.30 -0.05 0.00 0.00 176.76 174.41 1p4j n PRO 419 N 0.85 1.62 0.00 -1.08 -0.02 -0.91 -1.94 135.00 133.53 1p4j n PRO 419 Ca 0.26 0.58 0.00 0.00 -2.02 0.00 0.00 63.50 62.32 1p4j n PRO 419 Cb 0.50 -2.27 0.00 0.00 -0.02 0.00 0.00 33.50 31.71 1p4j n PRO 419 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1p4j n GLY 420 N 2.83 2.81 3.27 -1.23 0.00 -1.26 -4.94 105.19 106.67 1p4j n GLY 420 Ca 0.17 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.79 1p4j n GLY 420 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1p4j n ASP 421 N 0.00 3.83 0.17 1.61 4.64 -0.82 -4.74 116.55 121.24 1p4j n ASP 421 Ca 0.00 -2.81 0.02 0.00 -1.38 0.00 0.00 54.79 50.62 1p4j n ASP 421 Cb 0.00 -1.61 0.37 0.00 -1.04 0.00 0.00 41.12 38.84 1p4j n ASP 421 CO 0.00 0.00 0.00 -0.37 -0.82 0.00 0.00 177.20 176.01 1p4j h VAL 422 N 5.09 1.23 -0.20 5.18 -1.51 -1.92 -2.67 116.25 121.46 1p4j h VAL 422 Ca 0.43 -1.09 -0.14 0.00 -1.23 0.00 0.00 66.70 64.67 1p4j h VAL 422 Cb 0.79 1.53 -0.01 0.00 -2.13 0.00 0.00 31.29 31.47 1p4j h VAL 422 CO 1.61 0.32 -0.46 -0.78 -1.23 0.00 0.00 177.57 177.03 1p4j h ASP 423 N 0.07 0.54 -0.75 4.19 3.58 -2.00 -2.82 116.42 119.24 1p4j h ASP 423 Ca 0.01 -0.26 0.01 0.00 0.42 0.00 0.00 57.03 57.21 1p4j h ASP 423 Cb 0.56 -0.15 -0.04 0.00 1.72 0.00 0.00 39.33 41.42 1p4j h ASP 423 CO 0.04 0.92 0.49 -0.09 -2.88 0.00 0.00 179.24 177.72 1p4j h ARG 424 N 0.40 0.98 -0.23 0.28 2.43 -1.88 -0.98 114.38 115.38 1p4j h ARG 424 Ca 0.03 -0.06 0.05 0.00 -0.81 0.00 0.00 59.98 59.19 1p4j h ARG 424 Cb 0.96 -0.22 -0.05 0.00 -0.42 0.00 0.00 29.97 30.24 1p4j h ARG 424 CO 0.08 0.65 -0.10 -0.07 -1.51 0.00 0.00 179.97 179.02 1p4j h LEU 425 N 1.00 -0.34 -1.09 3.80 3.38 -1.31 0.25 115.31 121.00 1p4j h LEU 425 Ca 0.27 0.09 -0.09 0.00 0.09 0.00 0.00 57.88 58.24 1p4j h LEU 425 Cb -0.11 0.19 -0.01 0.00 0.09 0.00 0.00 40.66 40.82 1p4j h LEU 425 CO -0.06 -0.13 -0.30 0.08 0.09 0.00 0.00 178.44 178.12 1p4j h ARG 426 N -0.06 0.26 -0.21 1.13 -0.00 -1.29 -1.95 114.38 112.26 1p4j h ARG 426 Ca 0.12 -0.10 -0.15 0.00 -0.00 0.00 0.00 59.98 59.86 1p4j h ARG 426 Cb 0.25 -0.02 -0.01 0.00 -0.00 0.00 0.00 29.97 30.19 1p4j h ARG 426 CO -0.28 0.54 -0.48 0.00 -0.00 0.00 0.00 179.97 179.76 1p4j h ARG 427 N 0.23 0.54 0.00 0.08 3.08 -0.36 -3.22 114.38 114.74 1p4j h ARG 427 Ca 0.03 -0.31 0.00 0.00 0.07 0.00 0.00 59.98 59.77 1p4j h ARG 427 Cb 0.66 0.02 0.00 0.00 0.08 0.00 0.00 29.97 30.73 1p4j h ARG 427 CO 0.05 0.91 -0.55 -1.33 -1.07 0.00 0.00 179.97 177.98 1p4j n MET 428 N -3.99 0.21 -1.59 0.04 2.81 -0.00 -4.95 117.12 109.64 1p4j n MET 428 Ca -0.02 0.07 -0.40 0.00 -1.81 0.00 0.00 57.70 55.53 1p4j n MET 428 Cb 0.56 -1.64 0.02 0.00 -0.71 0.00 0.00 33.22 31.45 1p4j n MET 428 CO 0.00 0.00 0.00 0.45 1.51 0.00 0.00 175.97 177.93 1p4j n SER 429 N -1.95 0.91 0.20 7.83 2.88 -0.74 -4.86 113.62 117.88 1p4j n SER 429 Ca 0.04 0.96 0.13 0.00 -1.33 0.00 0.00 58.87 58.67 1p4j n SER 429 Cb 0.41 -1.34 0.25 0.00 -0.75 0.00 0.00 64.21 62.79 1p4j n SER 429 CO 0.00 0.00 0.00 -0.07 -1.23 0.00 0.00 175.04 173.74 1p4j h LEU 430 N 1.21 0.00 -8.87 2.46 3.38 -1.91 -3.43 115.31 108.15 1p4j h LEU 430 Ca -0.45 0.00 -0.64 0.00 0.09 0.00 0.00 57.88 56.88 1p4j h LEU 430 Cb 1.35 0.00 -0.18 0.00 0.09 0.00 0.00 40.66 41.92 1p4j h LEU 430 CO 0.55 0.00 -0.55 -0.69 0.09 0.00 0.00 178.44 177.83 1p4j s VAL 431 N -3.22 4.98 -0.20 1.22 1.01 -1.26 -0.15 120.40 122.79 1p4j s VAL 431 Ca 0.07 0.05 -0.10 0.00 0.00 0.00 0.00 61.98 62.00 1p4j s VAL 431 Cb 0.07 -3.34 -0.05 0.00 0.00 0.00 0.00 36.38 33.06 1p4j s VAL 431 CO 0.64 0.31 0.15 -1.61 0.00 0.00 0.00 175.10 174.59 1p4j s GLU 432 N 1.50 4.19 0.20 2.72 2.02 0.87 -4.96 118.70 125.24 1p4j s GLU 432 Ca 0.07 -0.19 -0.07 0.00 0.02 0.00 0.00 54.97 54.80 1p4j s GLU 432 Cb -0.15 -3.43 -0.06 0.00 0.10 0.00 0.00 34.13 30.59 1p4j s GLU 432 CO 0.07 0.28 0.48 -1.21 0.02 0.00 0.00 175.26 174.89 1p4j s GLU 433 N 0.42 3.69 0.00 1.61 0.41 -1.26 -1.65 118.70 121.91 1p4j s GLU 433 Ca 0.09 0.07 0.00 0.00 -0.41 0.00 0.00 54.97 54.72 1p4j s GLU 433 Cb -0.11 -2.73 0.00 0.00 -1.78 0.00 0.00 34.13 29.50 1p4j s GLU 433 CO -0.01 0.36 0.00 0.41 -0.49 0.00 0.00 175.26 175.53 1p4j n GLY 434 N -0.19 -0.36 0.44 -1.39 0.00 -1.26 -4.95 105.19 97.48 1p4j n GLY 434 Ca -0.01 -0.95 -0.12 0.00 0.00 0.00 0.00 46.02 44.93 1p4j n GLY 434 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1p4j h ALA 435 N 0.00 -0.67 -3.94 4.61 0.00 -2.06 -3.38 119.26 113.82 1p4j h ALA 435 Ca 0.00 0.06 -0.52 0.00 0.00 0.00 0.00 54.91 54.44 1p4j h ALA 435 Cb 0.00 1.25 -0.31 0.00 0.00 0.00 0.00 17.79 18.73 1p4j h ALA 435 CO 0.00 -1.01 -0.82 0.14 0.00 0.00 0.00 179.25 177.55 1p4j s VAL 436 N -5.57 1.25 0.41 0.00 -7.23 -1.26 -5.12 120.40 102.89 1p4j s VAL 436 Ca -0.13 -0.63 -0.25 0.00 -1.81 0.00 0.00 61.98 59.16 1p4j s VAL 436 Cb 0.10 -1.08 -0.08 0.00 0.56 0.00 0.00 36.38 35.88 1p4j s VAL 436 CO 0.62 0.36 1.24 -0.54 -0.31 0.00 0.00 175.10 176.47 1p4j s LYS 437 N 0.01 3.97 0.09 4.82 1.02 -1.26 -4.83 119.74 123.57 1p4j s LYS 437 Ca -0.02 2.00 0.00 0.00 0.02 0.00 0.00 55.97 57.97 1p4j s LYS 437 Cb -0.10 -2.69 -0.04 0.00 -0.52 0.00 0.00 37.83 34.48 1p4j s LYS 437 CO 0.01 -0.44 -0.03 1.03 -0.92 0.00 0.00 175.35 175.00 1p4j s ARG 438 N -2.30 0.80 -0.19 1.68 0.52 -0.66 -1.37 118.95 117.44 1p4j s ARG 438 Ca 0.58 -1.33 -0.05 0.00 -0.52 0.00 0.00 55.73 54.41 1p4j s ARG 438 Cb -0.34 -0.01 -0.03 0.00 0.52 0.00 0.00 34.95 35.09 1p4j s ARG 438 CO 0.44 -0.09 -0.01 0.42 0.02 0.00 0.00 175.30 176.07 1p4j s ILE 439 N -3.78 3.93 -0.57 1.52 -1.09 0.20 -0.09 121.20 121.32 1p4j s ILE 439 Ca 0.13 -0.33 -0.25 0.00 -2.23 0.00 0.00 60.65 57.97 1p4j s ILE 439 Cb 0.07 -2.76 0.04 0.00 -1.58 0.00 0.00 42.46 38.22 1p4j s ILE 439 CO -0.05 0.45 1.01 0.21 -1.23 0.00 0.00 174.94 175.33 1p4j s ASN 440 N 0.81 6.34 0.46 3.58 3.84 0.79 -2.32 114.94 128.43 1p4j s ASN 440 Ca -0.00 -0.30 0.16 0.00 0.21 0.00 0.00 52.86 52.94 1p4j s ASN 440 Cb -0.14 -2.47 1.06 0.00 -0.55 0.00 0.00 41.25 39.15 1p4j s ASN 440 CO 0.02 -1.32 2.00 0.24 -2.79 0.00 0.00 177.10 175.24 1p4j h MET 441 N 9.41 0.00 -0.58 0.43 2.86 -1.74 -2.34 114.93 122.97 1p4j h MET 441 Ca -0.26 0.00 -0.10 0.00 -2.06 0.00 0.00 59.70 57.27 1p4j h MET 441 Cb 1.07 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 32.71 1p4j h MET 441 CO 1.12 0.18 -0.05 0.00 1.06 0.00 0.00 176.91 179.23 1p4j h ALA 442 N 1.82 0.78 -0.48 6.32 0.00 -1.91 -1.39 119.26 124.40 1p4j h ALA 442 Ca -0.00 -0.33 -0.09 0.00 0.00 0.00 0.00 54.91 54.49 1p4j h ALA 442 Cb 0.34 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.90 1p4j h ALA 442 CO 0.02 0.66 -0.05 0.45 0.00 0.00 0.00 179.25 180.34 1p4j h HIS 443 N 0.94 0.90 -0.48 0.00 3.86 -1.81 -1.94 115.15 116.62 1p4j h HIS 443 Ca 0.16 -0.15 -0.01 0.00 -1.16 0.00 0.00 60.37 59.22 1p4j h HIS 443 Cb 0.61 -0.24 -0.02 0.00 1.06 0.00 0.00 27.41 28.82 1p4j h HIS 443 CO 0.04 0.84 0.27 1.25 0.86 0.00 0.00 177.93 181.20 1p4j h LEU 444 N 0.76 0.59 -0.61 2.43 6.46 -1.16 -2.15 115.31 121.63 1p4j h LEU 444 Ca 0.14 -0.08 -0.04 0.00 -0.12 0.00 0.00 57.88 57.79 1p4j h LEU 444 Cb 0.53 -0.15 -0.03 0.00 -0.73 0.00 0.00 40.66 40.28 1p4j h LEU 444 CO 0.03 0.49 0.24 0.00 -0.62 0.00 0.00 178.44 178.58 1p4j h ILE 446 N 0.85 1.23 -0.85 0.00 2.04 -1.24 -2.28 117.51 117.26 1p4j h ILE 446 Ca 0.20 -0.80 -0.02 0.00 1.00 0.00 0.00 64.86 65.24 1p4j h ILE 446 Cb 0.21 1.05 -0.04 0.00 -0.74 0.00 0.00 36.82 37.30 1p4j h ILE 446 CO -0.02 0.27 0.45 0.00 0.00 0.00 0.00 178.15 178.86 1p4j h ALA 447 N 0.92 1.19 -0.58 1.87 0.00 -1.27 -3.10 119.26 118.29 1p4j h ALA 447 Ca 0.11 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.89 1p4j h ALA 447 Cb 0.33 -0.34 0.00 0.00 0.00 0.00 0.00 17.79 17.78 1p4j h ALA 447 CO 0.00 0.64 0.00 0.41 0.00 0.00 0.00 179.25 180.30 1p4j n GLY 448 N -1.12 2.22 3.34 0.00 0.00 -0.66 -4.94 105.19 104.03 1p4j n GLY 448 Ca 0.09 -0.71 -0.25 0.00 0.00 0.00 0.00 46.02 45.15 1p4j n GLY 448 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1p4j s SER 449 N -0.88 2.86 0.00 1.61 0.01 -0.87 -3.99 113.70 112.44 1p4j s SER 449 Ca 0.43 -0.76 0.25 0.00 1.31 0.00 0.00 55.95 57.18 1p4j s SER 449 Cb 0.27 -0.18 0.52 0.00 0.21 0.00 0.00 66.02 66.84 1p4j s SER 449 CO 0.23 0.07 1.42 0.00 0.41 0.00 0.00 173.24 175.38 1p4j n HIS 450 N 0.77 0.00 -3.77 2.43 1.44 -0.49 -4.87 115.22 110.73 1p4j n HIS 450 Ca -0.17 0.00 -0.13 0.00 -2.01 0.00 0.00 57.72 55.41 1p4j n HIS 450 Cb 0.54 -0.21 -0.11 0.00 0.12 0.00 0.00 29.99 30.34 1p4j n HIS 450 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 1p4j s ALA 451 N -2.88 -0.72 -0.06 1.59 0.00 -1.26 -4.55 121.76 113.87 1p4j s ALA 451 Ca 0.14 0.84 0.00 0.00 0.00 0.00 0.00 51.96 52.94 1p4j s ALA 451 Cb 0.18 -0.49 0.02 0.00 0.00 0.00 0.00 23.12 22.83 1p4j s ALA 451 CO 0.67 -0.14 -0.04 0.08 0.00 0.00 0.00 175.76 176.32 1p4j s VAL 452 N 0.21 0.61 0.08 0.00 1.01 0.28 -1.10 120.40 121.49 1p4j s VAL 452 Ca -0.00 -0.10 0.05 0.00 0.00 0.00 0.00 61.98 61.92 1p4j s VAL 452 Cb -0.02 -0.67 -0.03 0.00 0.00 0.00 0.00 36.38 35.66 1p4j s VAL 452 CO -0.00 0.27 -0.13 0.54 0.00 0.00 0.00 175.10 175.78 1p4j s ASN 453 N 1.34 1.62 0.62 3.32 4.22 -0.74 -0.79 114.94 124.54 1p4j s ASN 453 Ca -0.04 -0.69 0.05 0.00 -2.14 0.00 0.00 52.86 50.04 1p4j s ASN 453 Cb -0.14 -0.03 0.10 0.00 1.28 0.00 0.00 41.25 42.46 1p4j s ASN 453 CO -0.03 -0.14 0.86 -0.83 -2.04 0.00 0.00 177.10 174.93 1p4j s GLY 454 N -2.01 1.76 0.00 0.45 0.00 -1.02 -1.42 107.32 105.09 1p4j s GLY 454 Ca 0.01 -1.90 0.11 0.00 0.00 0.00 0.00 44.72 42.93 1p4j s GLY 454 CO 0.02 -1.42 1.26 3.33 0.00 0.00 0.00 173.10 176.28 1p4j n VAL 455 N -2.47 1.00 -3.57 1.40 0.24 -1.26 -2.33 118.33 111.35 1p4j n VAL 455 Ca 0.14 -1.00 -0.13 0.00 -2.04 0.00 0.00 64.34 61.32 1p4j n VAL 455 Cb 0.61 0.50 -0.06 0.00 -1.47 0.00 0.00 33.84 33.42 1p4j n VAL 455 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1p4j s ALA 456 N -1.00 -1.88 0.20 2.33 0.00 -1.26 -1.13 121.76 119.02 1p4j s ALA 456 Ca 0.23 1.55 -0.14 0.00 0.00 0.00 0.00 51.96 53.60 1p4j s ALA 456 Cb 0.12 -0.57 0.22 0.00 0.00 0.00 0.00 23.12 22.89 1p4j s ALA 456 CO 0.16 -0.32 1.65 -0.09 0.00 0.00 0.00 175.76 177.15 1p4j h ARG 457 N 2.94 0.03 -0.29 0.00 2.43 -1.90 -0.20 114.38 117.39 1p4j h ARG 457 Ca -0.22 -0.00 -0.08 0.00 -0.81 0.00 0.00 59.98 58.86 1p4j h ARG 457 Cb 1.16 -0.01 -0.02 0.00 -0.42 0.00 0.00 29.97 30.68 1p4j h ARG 457 CO 0.31 0.02 -0.16 0.97 -1.51 0.00 0.00 179.97 179.60 1p4j h ILE 458 N 0.04 1.24 -0.18 1.20 2.10 -1.91 -2.08 117.51 117.93 1p4j h ILE 458 Ca 0.28 -1.11 -0.05 0.00 1.08 0.00 0.00 64.86 65.06 1p4j h ILE 458 Cb 0.43 1.20 -0.00 0.00 -1.09 0.00 0.00 36.82 37.36 1p4j h ILE 458 CO -0.55 0.36 -0.08 -0.74 -1.08 0.00 0.00 178.15 176.07 1p4j h HIS 459 N 0.46 0.42 -0.49 2.19 2.76 -1.51 -1.62 115.15 117.36 1p4j h HIS 459 Ca 0.08 -0.10 -0.02 0.00 -2.20 0.00 0.00 60.37 58.13 1p4j h HIS 459 Cb 0.56 -0.10 -0.02 0.00 1.55 0.00 0.00 27.41 29.40 1p4j h HIS 459 CO 0.02 0.66 0.23 0.77 -1.30 0.00 0.00 177.93 178.31 1p4j h SER 460 N 0.05 0.61 -0.34 3.26 0.02 -0.92 -0.94 113.55 115.28 1p4j h SER 460 Ca 0.04 -0.05 -0.16 0.00 -0.84 0.00 0.00 61.79 60.78 1p4j h SER 460 Cb 0.55 -0.15 -0.01 0.00 0.14 0.00 0.00 62.40 62.93 1p4j h SER 460 CO 0.02 0.52 -0.39 -0.33 -1.14 0.00 0.00 176.83 175.51 1p4j h GLU 461 N 0.68 0.90 -0.50 3.45 4.39 -1.27 -2.84 114.58 119.39 1p4j h GLU 461 Ca 0.17 -0.47 -0.04 0.00 0.34 0.00 0.00 59.36 59.36 1p4j h GLU 461 Cb 0.07 0.02 -0.02 0.00 -0.10 0.00 0.00 28.75 28.72 1p4j h GLU 461 CO -0.02 1.12 0.14 0.82 -1.16 0.00 0.00 179.01 179.91 1p4j h ILE 462 N 0.73 1.21 -0.53 3.13 2.04 -0.56 -1.28 117.51 122.25 1p4j h ILE 462 Ca 0.06 -0.72 -0.01 0.00 1.00 0.00 0.00 64.86 65.19 1p4j h ILE 462 Cb 0.98 0.67 -0.03 0.00 -0.74 0.00 0.00 36.82 37.70 1p4j h ILE 462 CO 0.09 0.27 0.30 -0.07 0.00 0.00 0.00 178.15 178.74 1p4j h LEU 463 N 0.73 0.65 -0.74 1.44 3.38 -0.99 0.22 115.31 120.00 1p4j h LEU 463 Ca 0.17 -0.08 -0.10 0.00 0.09 0.00 0.00 57.88 57.95 1p4j h LEU 463 Cb 0.24 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 40.81 1p4j h LEU 463 CO -0.01 0.55 -0.50 0.11 0.09 0.00 0.00 178.44 178.69 1p4j h LYS 464 N 0.71 0.00 0.00 1.13 1.57 -1.23 0.42 116.57 119.16 1p4j h LYS 464 Ca 0.19 0.00 -0.12 0.00 -1.87 0.00 0.00 60.65 58.85 1p4j h LYS 464 Cb 0.04 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.33 1p4j h LYS 464 CO -0.03 0.50 -1.35 1.63 -0.57 0.00 0.00 179.45 179.62 1p4j n LYS 465 N -3.57 0.62 0.00 3.15 5.02 -0.52 -3.80 118.16 119.06 1p4j n LYS 465 Ca -0.00 0.17 0.00 0.00 -2.02 0.00 0.00 58.31 56.45 1p4j n LYS 465 Cb 0.59 -1.79 0.00 0.00 -0.02 0.00 0.00 35.03 33.81 1p4j n LYS 465 CO 0.00 0.00 0.00 0.25 -0.52 0.00 0.00 177.40 177.13 1p4j n THR 466 N -2.79 0.00 -0.30 -0.18 -2.24 0.04 -4.73 114.28 104.09 1p4j n THR 466 Ca -0.07 0.00 0.11 0.00 -2.27 0.00 0.00 64.05 61.82 1p4j n THR 466 Cb 0.75 -0.04 0.28 0.00 -2.10 0.00 0.00 70.33 69.21 1p4j n THR 466 CO 0.00 0.00 0.00 -0.29 -0.57 0.00 0.00 175.07 174.21 1p4j h ILE 467 N 0.00 0.52 -0.15 2.28 6.09 -1.68 -2.50 117.51 122.06 1p4j h ILE 467 Ca 0.00 -0.14 -0.06 0.00 -1.37 0.00 0.00 64.86 63.29 1p4j h ILE 467 Cb 0.00 0.07 -0.04 0.00 0.47 0.00 0.00 36.82 37.32 1p4j h ILE 467 CO 0.00 0.08 -0.19 0.49 -3.07 0.00 0.00 178.15 175.46 1p4j n PHE 468 N -5.04 0.50 -0.17 2.19 0.99 0.13 -4.79 117.46 111.27 1p4j n PHE 468 Ca 0.20 -1.34 -0.01 0.00 -0.00 0.00 0.00 57.45 56.29 1p4j n PHE 468 Cb 0.59 -0.32 0.08 0.00 -1.00 0.00 0.00 39.48 38.83 1p4j n PHE 468 CO 0.00 0.00 0.00 -0.22 -0.00 0.00 0.00 176.76 176.54 1p4j h LYS 469 N 0.90 0.29 -0.94 -1.08 3.64 -1.43 -0.74 116.57 117.21 1p4j h LYS 469 Ca 0.07 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.44 1p4j h LYS 469 Cb 1.28 -0.06 -0.05 0.00 -0.41 0.00 0.00 32.23 32.99 1p4j h LYS 469 CO 0.16 0.19 0.60 -0.44 -2.27 0.00 0.00 179.45 177.69 1p4j h ASP 470 N 0.30 1.10 -0.35 4.20 3.32 -1.87 -1.95 116.42 121.16 1p4j h ASP 470 Ca 0.27 -0.05 -0.15 0.00 0.02 0.00 0.00 57.03 57.13 1p4j h ASP 470 Cb 0.35 -0.28 -0.01 0.00 0.22 0.00 0.00 39.33 39.62 1p4j h ASP 470 CO -0.32 0.81 -0.33 -0.26 -1.72 0.00 0.00 179.24 177.42 1p4j h PHE 471 N 1.28 1.05 -0.75 4.55 0.04 -1.78 -2.43 116.94 118.90 1p4j h PHE 471 Ca 0.34 -0.29 -0.03 0.00 2.80 0.00 0.00 57.97 60.78 1p4j h PHE 471 Cb -0.11 -0.23 -0.03 0.00 2.20 0.00 0.00 35.95 37.78 1p4j h PHE 471 CO -0.00 1.10 0.34 -0.92 -0.60 0.00 0.00 178.31 178.23 1p4j h TYR 472 N 0.74 1.08 -0.13 -0.55 3.20 -0.85 0.29 116.97 120.76 1p4j h TYR 472 Ca 0.07 -0.05 -0.10 0.00 3.14 0.00 0.00 58.73 61.79 1p4j h TYR 472 Cb 0.91 -0.33 -0.01 0.00 1.54 0.00 0.00 36.73 38.83 1p4j h TYR 472 CO 0.05 0.80 -0.36 0.93 -1.64 0.00 0.00 178.16 177.94 1p4j h GLU 473 N 1.07 0.28 0.03 1.82 5.08 -1.18 -1.16 114.58 120.52 1p4j h GLU 473 Ca 0.26 -0.12 -0.13 0.00 -1.00 0.00 0.00 59.36 58.36 1p4j h GLU 473 Cb 0.14 -0.01 0.01 0.00 0.50 0.00 0.00 28.75 29.39 1p4j h GLU 473 CO -0.03 0.61 -0.54 1.25 -1.00 0.00 0.00 179.01 179.30 1p4j h LEU 474 N 0.24 0.42 -6.22 1.33 5.85 -0.94 -3.41 115.31 112.58 1p4j h LEU 474 Ca 0.03 -0.82 -0.58 0.00 0.84 0.00 0.00 57.88 57.35 1p4j h LEU 474 Cb 0.75 -0.13 -0.39 0.00 0.37 0.00 0.00 40.66 41.26 1p4j h LEU 474 CO 0.06 1.19 -0.95 -0.62 -0.34 0.00 0.00 178.44 177.78 1p4j n GLU 475 N -4.28 0.92 -0.17 1.25 1.02 0.05 -4.98 120.64 114.44 1p4j n GLU 475 Ca -0.11 -3.52 0.13 0.00 -0.02 0.00 0.00 57.16 53.63 1p4j n GLU 475 Cb 0.66 -1.58 0.46 0.00 -0.02 0.00 0.00 31.44 30.95 1p4j n GLU 475 CO 0.00 0.00 0.00 -1.00 1.18 0.00 0.00 177.13 177.31 1p4j h PRO 476 N 4.61 0.51 0.00 3.49 0.13 -1.41 -2.50 132.00 136.82 1p4j h PRO 476 Ca 0.15 -0.03 -0.00 0.00 -0.87 0.00 0.00 66.00 65.25 1p4j h PRO 476 Cb 0.85 -0.11 -0.00 0.00 0.13 0.00 0.00 31.00 31.86 1p4j h PRO 476 CO 0.51 0.33 -0.02 1.12 -0.23 0.00 0.00 178.00 179.72 1p4j h HIS 477 N 0.52 0.00 0.00 1.56 2.07 -1.94 -2.87 115.15 114.49 1p4j h HIS 477 Ca 0.36 0.00 -0.09 0.00 -2.85 0.00 0.00 60.37 57.79 1p4j h HIS 477 Cb 0.67 0.00 -0.01 0.00 2.57 0.00 0.00 27.41 30.64 1p4j h HIS 477 CO -0.00 0.02 -0.42 0.87 -3.07 0.00 0.00 177.93 175.33 1p4j h LYS 478 N 0.00 0.00 -6.12 5.12 1.57 -1.68 -3.45 116.57 112.00 1p4j h LYS 478 Ca -0.00 0.00 -0.56 0.00 -1.87 0.00 0.00 60.65 58.22 1p4j h LYS 478 Cb 0.04 0.00 -0.05 0.00 0.08 0.00 0.00 32.23 32.31 1p4j h LYS 478 CO 0.00 0.42 0.31 -0.06 -0.57 0.00 0.00 179.45 179.55 1p4j s PHE 479 N -3.85 3.54 0.29 -1.35 0.08 -1.09 -0.56 117.98 115.04 1p4j s PHE 479 Ca -0.01 1.40 0.04 0.00 0.12 0.00 0.00 56.93 58.48 1p4j s PHE 479 Cb 0.13 -2.99 -0.03 0.00 -0.57 0.00 0.00 43.02 39.55 1p4j s PHE 479 CO 0.71 -0.08 0.21 -0.65 -0.10 0.00 0.00 175.22 175.31 1p4j s GLN 480 N 1.43 1.58 0.04 0.44 -0.21 0.03 -4.96 119.66 118.01 1p4j s GLN 480 Ca 0.43 -1.89 0.05 0.00 0.02 0.00 0.00 55.36 53.96 1p4j s GLN 480 Cb -0.18 0.20 -0.02 0.00 1.00 0.00 0.00 33.01 34.00 1p4j s GLN 480 CO 0.19 -0.53 -0.16 1.21 -2.12 0.00 0.00 175.29 173.88 1p4j s ASN 481 N -3.32 1.86 -0.34 5.90 3.84 -1.26 -2.42 114.94 119.19 1p4j s ASN 481 Ca 0.39 -0.46 0.01 0.00 0.21 0.00 0.00 52.86 53.01 1p4j s ASN 481 Cb 0.04 -0.13 0.15 0.00 -0.55 0.00 0.00 41.25 40.75 1p4j s ASN 481 CO 0.21 0.07 0.32 -0.54 -2.79 0.00 0.00 177.10 174.37 1p4j s LYS 482 N -1.12 0.51 0.19 0.43 -0.14 -0.98 -4.91 119.74 113.72 1p4j s LYS 482 Ca 0.03 -0.68 -0.31 0.00 -1.36 0.00 0.00 55.97 53.65 1p4j s LYS 482 Cb -0.08 -0.79 -0.10 0.00 -1.68 0.00 0.00 37.83 35.17 1p4j s LYS 482 CO 0.01 -1.14 1.56 0.99 -0.76 0.00 0.00 175.35 176.01 1p4j s THR 483 N 1.70 2.53 1.14 2.17 2.01 -1.26 -4.20 115.64 119.73 1p4j s THR 483 Ca 0.14 0.39 -0.15 0.00 0.31 0.00 0.00 61.69 62.39 1p4j s THR 483 Cb -0.16 -3.25 0.21 0.00 0.01 0.00 0.00 72.50 69.31 1p4j s THR 483 CO -0.13 0.04 0.62 0.59 -0.69 0.00 0.00 174.62 175.05 1p4j n ASN 484 N 3.52 -1.94 -3.31 3.53 5.03 -0.29 -4.64 115.26 117.16 1p4j n ASN 484 Ca 0.12 -0.12 -0.08 0.00 0.87 0.00 0.00 54.58 55.37 1p4j n ASN 484 Cb 0.38 -1.15 0.00 0.00 -1.02 0.00 0.00 39.78 37.99 1p4j n ASN 484 CO 0.00 0.00 0.00 -0.83 -1.83 0.00 0.00 177.26 174.60 1p4j s GLY 485 N -2.18 0.27 0.08 7.41 0.00 -1.26 -4.83 107.32 106.80 1p4j s GLY 485 Ca 0.64 -0.64 0.05 0.00 0.00 0.00 0.00 44.72 44.76 1p4j s GLY 485 CO 0.65 -0.28 -0.12 -0.26 0.00 0.00 0.00 173.10 173.09 1p4j s ILE 486 N -2.98 1.02 -0.11 0.90 -4.36 -0.01 -4.49 121.20 111.16 1p4j s ILE 486 Ca 0.15 -1.38 -0.30 0.00 -0.26 0.00 0.00 60.65 58.86 1p4j s ILE 486 Cb -0.05 -1.11 -0.01 0.00 1.25 0.00 0.00 42.46 42.54 1p4j s ILE 486 CO 0.10 -0.33 1.08 0.28 0.24 0.00 0.00 174.94 176.31 1p4j s THR 487 N -1.60 4.60 -1.00 8.37 -1.32 -1.26 -1.26 115.64 122.18 1p4j s THR 487 Ca -0.01 1.89 0.13 0.00 -1.21 0.00 0.00 61.69 62.50 1p4j s THR 487 Cb -0.08 -4.22 0.11 0.00 -1.51 0.00 0.00 72.50 66.80 1p4j s THR 487 CO 0.02 -0.03 1.43 -0.81 -2.21 0.00 0.00 174.62 173.02 1p4j n PRO 488 N 5.31 0.00 0.13 7.08 -0.04 -1.26 -1.89 135.00 144.33 1p4j n PRO 488 Ca 0.10 0.27 -0.06 0.00 -0.04 0.00 0.00 63.50 63.77 1p4j n PRO 488 Cb 0.47 -1.50 -0.03 0.00 -0.04 0.00 0.00 33.50 32.41 1p4j n PRO 488 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1p4j h ARG 489 N 0.00 -0.37 -0.44 0.54 -0.00 -1.91 -2.76 114.38 109.44 1p4j h ARG 489 Ca 0.00 0.03 -0.13 0.00 -0.50 0.00 0.00 59.98 59.37 1p4j h ARG 489 Cb 0.23 0.08 -0.01 0.00 0.00 0.00 0.00 29.97 30.27 1p4j h ARG 489 CO 0.00 -0.25 -0.26 -0.09 0.00 0.00 0.00 179.97 179.37 1p4j h ARG 490 N -0.84 0.93 -0.41 0.04 2.43 -1.97 -0.30 114.38 114.26 1p4j h ARG 490 Ca -0.04 -0.41 0.00 0.00 -0.81 0.00 0.00 59.98 58.72 1p4j h ARG 490 Cb 0.30 -0.02 0.00 0.00 -0.42 0.00 0.00 29.97 29.82 1p4j h ARG 490 CO 0.06 1.07 0.00 0.91 -1.51 0.00 0.00 179.97 180.50 1p4j n TRP 491 N -4.10 0.48 0.02 2.20 7.02 -0.79 -2.85 117.44 119.41 1p4j n TRP 491 Ca -0.00 -0.21 0.00 0.00 -1.02 0.00 0.00 57.50 56.27 1p4j n TRP 491 Cb 0.47 -0.06 0.00 0.00 -2.42 0.00 0.00 31.31 29.31 1p4j n TRP 491 CO 0.00 0.00 0.00 -0.11 -2.02 0.00 0.00 177.69 175.56 1p4j n LEU 492 N 0.31 -0.19 -0.04 -0.99 7.94 -1.07 -4.78 117.00 118.19 1p4j n LEU 492 Ca 0.10 0.07 -0.09 0.00 -1.11 0.00 0.00 56.01 54.98 1p4j n LEU 492 Cb 0.32 0.36 -0.03 0.00 0.53 0.00 0.00 43.42 44.60 1p4j n LEU 492 CO 0.08 -0.49 0.91 0.58 -1.11 0.00 0.00 177.39 177.36 1p4j h VAL 493 N 0.00 0.95 0.08 1.96 2.07 -1.25 0.28 116.25 120.34 1p4j h VAL 493 Ca 0.00 -0.05 -0.00 0.00 0.82 0.00 0.00 66.70 67.46 1p4j h VAL 493 Cb 0.00 0.78 0.00 0.00 -1.52 0.00 0.00 31.29 30.55 1p4j h VAL 493 CO 0.00 0.03 -0.04 0.25 0.02 0.00 0.00 177.57 177.83 1p4j h LEU 494 N 0.16 -0.09 0.00 2.57 6.46 -1.20 -3.17 115.31 120.04 1p4j h LEU 494 Ca 0.09 -0.43 0.00 0.00 -0.12 0.00 0.00 57.88 57.41 1p4j h LEU 494 Cb 0.06 0.02 0.00 0.00 -0.73 0.00 0.00 40.66 40.01 1p4j h LEU 494 CO -0.09 0.42 -0.45 0.00 -0.62 0.00 0.00 178.44 177.69 1p4j n ASN 496 N -2.19 0.52 0.07 0.00 2.85 0.99 -4.85 115.26 112.65 1p4j n ASN 496 Ca 0.04 -2.86 0.05 0.00 -0.11 0.00 0.00 54.58 51.69 1p4j n ASN 496 Cb 0.44 -0.63 0.47 0.00 1.24 0.00 0.00 39.78 41.30 1p4j n ASN 496 CO 0.00 0.00 0.00 1.55 -2.11 0.00 0.00 177.26 176.70 1p4j h PRO 497 N 3.47 0.39 -0.81 1.20 0.13 -1.63 -1.94 132.00 132.81 1p4j h PRO 497 Ca 0.09 -0.03 0.03 0.00 -0.87 0.00 0.00 66.00 65.22 1p4j h PRO 497 Cb 0.93 -0.08 -0.05 0.00 0.13 0.00 0.00 31.00 31.93 1p4j h PRO 497 CO 0.48 0.28 0.52 0.78 -0.23 0.00 0.00 178.00 179.83 1p4j h GLY 498 N 0.45 1.17 1.09 1.56 0.00 -1.91 0.30 103.07 105.74 1p4j h GLY 498 Ca 0.10 -0.39 -0.22 0.00 0.00 0.00 0.00 47.33 46.82 1p4j h GLY 498 CO -0.02 0.34 -0.85 -2.00 0.00 0.00 0.00 176.54 174.01 1p4j h LEU 499 N 1.01 0.83 -1.34 3.11 5.85 -1.81 -2.90 115.31 120.07 1p4j h LEU 499 Ca 0.32 -0.70 0.03 0.00 0.84 0.00 0.00 57.88 58.36 1p4j h LEU 499 Cb 0.01 -0.25 -0.04 0.00 0.37 0.00 0.00 40.66 40.75 1p4j h LEU 499 CO -0.11 1.42 0.46 0.00 -0.34 0.00 0.00 178.44 179.87 1p4j h ALA 500 N 0.43 1.57 0.18 1.25 0.00 -1.04 -2.25 119.26 119.40 1p4j h ALA 500 Ca -0.09 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.77 1p4j h ALA 500 Cb 1.50 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 19.04 1p4j h ALA 500 CO 0.17 0.37 -0.09 1.49 0.00 0.00 0.00 179.25 181.19 1p4j h GLU 501 N 0.88 -0.23 0.00 0.00 4.57 -0.92 -1.23 114.58 117.65 1p4j h GLU 501 Ca 0.27 0.02 -0.02 0.00 -1.18 0.00 0.00 59.36 58.45 1p4j h GLU 501 Cb 0.01 0.05 -0.00 0.00 -0.16 0.00 0.00 28.75 28.65 1p4j h GLU 501 CO -0.07 0.12 -0.10 -0.84 -1.18 0.00 0.00 179.01 176.95 1p4j h ILE 502 N -0.63 0.77 -0.07 2.32 3.07 -1.40 -0.45 117.51 121.12 1p4j h ILE 502 Ca -0.02 -0.37 -0.10 0.00 1.55 0.00 0.00 64.86 65.92 1p4j h ILE 502 Cb 0.46 1.22 0.00 0.00 -0.27 0.00 0.00 36.82 38.23 1p4j h ILE 502 CO 0.04 0.09 -0.34 0.40 -1.05 0.00 0.00 178.15 177.30 1p4j h ILE 503 N 0.00 1.42 -0.23 0.16 2.04 -1.33 -3.19 117.51 116.38 1p4j h ILE 503 Ca -0.00 -1.74 -0.02 0.00 1.00 0.00 0.00 64.86 64.10 1p4j h ILE 503 Cb 0.21 2.32 -0.01 0.00 -0.74 0.00 0.00 36.82 38.59 1p4j h ILE 503 CO 0.01 0.50 0.06 0.00 0.00 0.00 0.00 178.15 178.72 1p4j h ALA 504 N 0.43 1.68 0.00 1.87 0.00 -0.49 -1.55 119.26 121.20 1p4j h ALA 504 Ca -0.02 -0.09 -0.00 0.00 0.00 0.00 0.00 54.91 54.79 1p4j h ALA 504 Cb 0.99 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 18.68 1p4j h ALA 504 CO 0.07 0.25 -0.00 0.93 0.00 0.00 0.00 179.25 180.50 1p4j h GLU 505 N 0.32 0.00 0.02 0.00 5.08 -1.09 0.22 114.58 119.13 1p4j h GLU 505 Ca 0.08 0.00 -0.40 0.00 -1.00 0.00 0.00 59.36 58.04 1p4j h GLU 505 Cb 0.12 0.00 -0.06 0.00 0.50 0.00 0.00 28.75 29.31 1p4j h GLU 505 CO -0.00 0.00 -2.34 0.54 -1.00 0.00 0.00 179.01 176.20 1p4j n ARG 506 N -4.32 0.64 -0.03 2.33 5.12 -0.70 -4.73 116.66 114.98 1p4j n ARG 506 Ca -0.03 0.23 0.02 0.00 -1.93 0.00 0.00 57.85 56.14 1p4j n ARG 506 Cb 0.09 -1.56 0.04 0.00 -1.16 0.00 0.00 32.46 29.87 1p4j n ARG 506 CO 0.00 0.00 0.00 0.44 -1.93 0.00 0.00 177.63 176.14 1p4j n ILE 507 N -3.64 0.52 -1.16 0.55 -5.35 -0.67 -5.13 119.36 104.49 1p4j n ILE 507 Ca -0.45 -0.76 0.00 0.00 -0.27 0.00 0.00 62.75 61.27 1p4j n ILE 507 Cb 0.95 0.78 0.00 0.00 -1.74 0.00 0.00 39.64 39.63 1p4j n ILE 507 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1p4j n GLY 508 N 0.03 -2.43 0.00 3.28 0.00 0.78 -4.66 105.19 102.19 1p4j n GLY 508 Ca 0.03 -1.81 0.09 0.00 0.00 0.00 0.00 46.02 44.34 1p4j n GLY 508 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1p4j n GLU 509 N -0.16 0.46 -0.07 1.61 1.02 -1.26 -4.08 120.64 118.16 1p4j n GLU 509 Ca 0.00 -0.00 0.25 0.00 -0.02 0.00 0.00 57.16 57.39 1p4j n GLU 509 Cb 0.00 -1.44 0.72 0.00 -0.02 0.00 0.00 31.44 30.70 1p4j n GLU 509 CO 0.00 0.00 0.00 1.49 1.18 0.00 0.00 177.13 179.80 1p4j h GLU 510 N 0.00 0.00 0.00 3.49 4.22 -1.97 -1.55 114.58 118.78 1p4j h GLU 510 Ca 0.00 0.00 -0.02 0.00 0.08 0.00 0.00 59.36 59.42 1p4j h GLU 510 Cb 0.48 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.72 1p4j h GLU 510 CO 0.00 0.00 -0.07 0.10 -2.18 0.00 0.00 179.01 176.86 1p4j h TYR 511 N 0.00 0.00 -0.00 0.92 -0.00 -1.80 -2.78 116.97 113.30 1p4j h TYR 511 Ca 0.33 0.00 0.00 0.00 -0.00 0.00 0.00 58.73 59.07 1p4j h TYR 511 Cb 1.51 0.00 -0.00 0.00 -0.00 0.00 0.00 36.73 38.24 1p4j h TYR 511 CO 0.00 0.07 0.04 0.82 -0.00 0.00 0.00 178.16 179.10 1p4j h ILE 512 N 0.00 0.03 0.00 -0.90 2.04 -1.63 -0.85 117.51 116.20 1p4j h ILE 512 Ca -0.00 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.86 1p4j h ILE 512 Cb 0.26 0.96 0.00 0.00 -0.74 0.00 0.00 36.82 37.30 1p4j h ILE 512 CO 0.01 0.00 -0.23 -1.54 0.00 0.00 0.00 178.15 176.39 1p4j n SER 513 N -3.11 1.18 -2.75 1.72 3.41 -1.06 -4.67 113.62 108.35 1p4j n SER 513 Ca -0.03 -2.47 -0.08 0.00 -0.26 0.00 0.00 58.87 56.03 1p4j n SER 513 Cb 0.11 -0.29 0.05 0.00 -0.26 0.00 0.00 64.21 63.82 1p4j n SER 513 CO 0.00 0.00 0.00 -0.67 -0.16 0.00 0.00 175.04 174.21 1p4j n ASP 514 N -0.70 -2.82 0.30 4.04 4.64 -0.43 -5.02 116.55 116.56 1p4j n ASP 514 Ca 0.08 -3.31 0.19 0.00 -1.38 0.00 0.00 54.79 50.37 1p4j n ASP 514 Cb 0.65 1.82 1.04 0.00 -1.04 0.00 0.00 41.12 43.59 1p4j n ASP 514 CO 0.00 0.00 0.00 0.25 -0.82 0.00 0.00 177.20 176.63 1p4j h LEU 515 N 3.88 0.00 -2.88 -2.67 5.85 -1.58 -1.88 115.31 116.03 1p4j h LEU 515 Ca -0.15 0.00 -0.00 0.00 0.84 0.00 0.00 57.88 58.57 1p4j h LEU 515 Cb 1.04 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 42.07 1p4j h LEU 515 CO 0.30 0.00 -0.00 0.44 -0.34 0.00 0.00 178.44 178.84 1p4j h ASP 516 N 0.00 0.00 0.51 1.25 3.32 -1.85 -1.08 116.42 118.57 1p4j h ASP 516 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1p4j h ASP 516 Cb 0.06 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.61 1p4j h ASP 516 CO 0.00 0.00 0.00 1.56 -1.72 0.00 0.00 179.24 179.08 1p4j h GLN 517 N 0.00 0.00 0.00 3.56 4.20 -1.67 -2.68 115.11 118.52 1p4j h GLN 517 Ca -0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 1p4j h GLN 517 Cb 0.00 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.78 1p4j h GLN 517 CO 0.00 0.00 0.00 -0.07 -0.67 0.00 0.00 178.83 178.09 1p4j h LEU 518 N 0.00 0.00 -1.97 1.46 3.38 -1.42 -1.37 115.31 115.39 1p4j h LEU 518 Ca 0.00 0.00 0.04 0.00 0.09 0.00 0.00 57.88 58.01 1p4j h LEU 518 Cb 0.25 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.00 1p4j h LEU 518 CO 0.00 0.00 0.11 0.03 0.09 0.00 0.00 178.44 178.67 1p4j h ARG 519 N 0.00 0.04 0.00 1.13 3.08 -1.10 -0.65 114.38 116.87 1p4j h ARG 519 Ca 0.00 -0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 1p4j h ARG 519 Cb 0.01 -0.01 0.00 0.00 0.08 0.00 0.00 29.97 30.05 1p4j h ARG 519 CO 0.00 0.03 0.07 0.87 -1.07 0.00 0.00 179.97 179.86 1p4j h LYS 520 N 0.04 0.00 0.00 0.04 1.57 -1.50 -0.45 116.57 116.27 1p4j h LYS 520 Ca 0.07 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.85 1p4j h LYS 520 Cb 0.23 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.54 1p4j h LYS 520 CO -0.00 0.00 0.00 1.28 -0.57 0.00 0.00 179.45 180.16 1p4j n LEU 521 N -2.87 0.05 0.15 2.94 4.77 -0.25 -2.81 117.00 118.98 1p4j n LEU 521 Ca -0.02 0.51 0.03 0.00 -0.03 0.00 0.00 56.01 56.50 1p4j n LEU 521 Cb 0.12 -0.50 0.42 0.00 -2.33 0.00 0.00 43.42 41.13 1p4j n LEU 521 CO 0.17 -0.21 0.89 -0.07 -1.33 0.00 0.00 177.39 176.84 1p4j h LEU 522 N 0.00 0.16 0.00 2.23 4.07 -1.26 -1.67 115.31 118.83 1p4j h LEU 522 Ca 0.00 -0.03 0.00 0.00 0.08 0.00 0.00 57.88 57.93 1p4j h LEU 522 Cb 0.32 -0.04 0.00 0.00 1.08 0.00 0.00 40.66 42.02 1p4j h LEU 522 CO 0.00 0.33 0.00 -1.54 -1.08 0.00 0.00 178.44 176.15 1p4j n SER 523 N -4.28 0.00 -0.14 -0.43 3.41 -1.12 -2.60 113.62 108.45 1p4j n SER 523 Ca -0.01 -1.27 0.02 0.00 -0.26 0.00 0.00 58.87 57.35 1p4j n SER 523 Cb 0.26 0.00 0.02 0.00 -0.26 0.00 0.00 64.21 64.24 1p4j n SER 523 CO 0.00 0.00 0.00 -1.22 -0.16 0.00 0.00 175.04 173.66 1p4j n TYR 524 N -0.74 0.05 0.29 7.33 4.01 -0.63 -4.67 117.16 122.79 1p4j n TYR 524 Ca 0.10 -0.18 0.18 0.00 -0.16 0.00 0.00 57.90 57.84 1p4j n TYR 524 Cb 0.04 -0.02 0.98 0.00 -0.31 0.00 0.00 39.34 40.04 1p4j n TYR 524 CO 0.00 0.00 0.00 -0.24 -0.46 0.00 0.00 176.86 176.16 1p4j h VAL 525 N 0.58 0.29 -0.22 -0.72 3.04 -1.53 0.07 116.25 117.75 1p4j h VAL 525 Ca 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.69 1p4j h VAL 525 Cb 0.29 0.92 0.00 0.00 -2.01 0.00 0.00 31.29 30.48 1p4j h VAL 525 CO 0.00 0.00 0.00 0.47 -1.01 0.00 0.00 177.57 177.03 1p4j n ASP 526 N -3.49 2.65 -4.61 3.17 10.43 -1.26 -4.88 116.55 118.55 1p4j n ASP 526 Ca -0.02 -1.79 -0.43 0.00 2.57 0.00 0.00 54.79 55.13 1p4j n ASP 526 Cb 0.18 -0.14 -0.02 0.00 1.84 0.00 0.00 41.12 42.98 1p4j n ASP 526 CO 0.00 0.00 0.00 -0.62 -1.07 0.00 0.00 177.20 175.51 1p4j s ASP 527 N -1.07 6.66 0.52 -2.24 3.68 0.01 -4.89 116.67 119.34 1p4j s ASP 527 Ca 0.22 0.79 0.24 0.00 2.13 0.00 0.00 52.55 55.94 1p4j s ASP 527 Cb 0.13 -2.55 1.44 0.00 -1.45 0.00 0.00 42.92 40.50 1p4j s ASP 527 CO 0.18 -1.17 2.11 -0.08 0.13 0.00 0.00 175.17 176.35 1p4j h GLU 528 N 9.20 0.00 0.11 4.34 4.57 -1.92 -1.08 114.58 129.80 1p4j h GLU 528 Ca -0.24 0.00 -0.29 0.00 -1.18 0.00 0.00 59.36 57.66 1p4j h GLU 528 Cb 1.07 0.00 0.03 0.00 -0.16 0.00 0.00 28.75 29.69 1p4j h GLU 528 CO 1.08 0.09 -1.19 0.00 -1.18 0.00 0.00 179.01 177.82 1p4j h ALA 529 N 1.91 -0.00 -0.15 2.92 0.00 -1.94 -2.89 119.26 119.10 1p4j h ALA 529 Ca -0.00 -0.75 -0.03 0.00 0.00 0.00 0.00 54.91 54.12 1p4j h ALA 529 Cb 0.22 0.11 -0.00 0.00 0.00 0.00 0.00 17.79 18.11 1p4j h ALA 529 CO 0.01 0.66 -0.02 0.35 0.00 0.00 0.00 179.25 180.24 1p4j h PHE 530 N 0.24 0.32 -0.69 0.00 -0.00 -1.79 -1.73 116.94 113.30 1p4j h PHE 530 Ca -0.18 -0.06 0.12 0.00 -0.00 0.00 0.00 57.97 57.85 1p4j h PHE 530 Cb 1.86 -0.08 -0.09 0.00 -0.00 0.00 0.00 35.95 37.65 1p4j h PHE 530 CO 0.12 0.55 0.24 0.82 -0.00 0.00 0.00 178.31 180.04 1p4j h ILE 531 N -0.00 0.68 -0.68 1.41 2.04 -1.30 0.17 117.51 119.82 1p4j h ILE 531 Ca 0.04 -0.13 -0.05 0.00 1.00 0.00 0.00 64.86 65.72 1p4j h ILE 531 Cb 0.44 0.25 -0.03 0.00 -0.74 0.00 0.00 36.82 36.74 1p4j h ILE 531 CO 0.01 0.07 0.22 -0.09 0.00 0.00 0.00 178.15 178.37 1p4j h ARG 532 N 0.39 1.04 -0.24 2.37 2.43 -1.32 -2.06 114.38 116.99 1p4j h ARG 532 Ca 0.37 -0.22 -0.09 0.00 -0.81 0.00 0.00 59.98 59.23 1p4j h ARG 532 Cb 0.53 -0.15 -0.00 0.00 -0.42 0.00 0.00 29.97 29.92 1p4j h ARG 532 CO -0.38 0.90 -0.19 -0.44 -1.51 0.00 0.00 179.97 178.34 1p4j h ASP 533 N 0.98 0.58 -0.44 -3.80 3.32 -0.27 -0.73 116.42 116.06 1p4j h ASP 533 Ca 0.22 -0.45 0.05 0.00 0.02 0.00 0.00 57.03 56.87 1p4j h ASP 533 Cb 0.28 -0.16 -0.05 0.00 0.22 0.00 0.00 39.33 39.62 1p4j h ASP 533 CO -0.01 0.91 0.18 0.58 -1.72 0.00 0.00 179.24 179.18 1p4j h VAL 534 N 0.26 0.90 -0.23 -1.35 2.07 -0.65 -0.02 116.25 117.22 1p4j h VAL 534 Ca 0.04 -0.12 -0.07 0.00 0.82 0.00 0.00 66.70 67.37 1p4j h VAL 534 Cb 0.73 0.50 -0.01 0.00 -1.52 0.00 0.00 31.29 30.98 1p4j h VAL 534 CO 0.05 0.07 -0.17 0.00 0.02 0.00 0.00 177.57 177.53 1p4j h ALA 535 N 1.27 1.27 -0.17 1.67 0.00 -1.32 -2.59 119.26 119.38 1p4j h ALA 535 Ca 0.20 -0.28 -0.03 0.00 0.00 0.00 0.00 54.91 54.80 1p4j h ALA 535 Cb 0.17 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.84 1p4j h ALA 535 CO -0.19 0.48 -0.01 -0.22 0.00 0.00 0.00 179.25 179.31 1p4j h LYS 536 N 0.37 0.32 -0.74 0.00 3.64 -0.00 -1.92 116.57 118.24 1p4j h LYS 536 Ca 0.07 -0.11 0.00 0.00 -1.27 0.00 0.00 60.65 59.34 1p4j h LYS 536 Cb 0.52 -0.02 -0.04 0.00 -0.41 0.00 0.00 32.23 32.28 1p4j h LYS 536 CO 0.03 0.55 0.46 0.28 -2.27 0.00 0.00 179.45 178.50 1p4j h VAL 537 N 0.05 1.20 -0.62 2.00 2.07 -0.93 -0.47 116.25 119.54 1p4j h VAL 537 Ca 0.05 -0.42 -0.03 0.00 0.82 0.00 0.00 66.70 67.12 1p4j h VAL 537 Cb 0.42 0.15 -0.03 0.00 -1.52 0.00 0.00 31.29 30.31 1p4j h VAL 537 CO 0.01 0.21 0.29 0.50 0.02 0.00 0.00 177.57 178.59 1p4j h LYS 538 N 1.01 0.91 -0.74 1.57 1.63 -1.41 -0.64 116.57 118.90 1p4j h LYS 538 Ca 0.27 -0.14 -0.03 0.00 -0.85 0.00 0.00 60.65 59.89 1p4j h LYS 538 Cb -0.06 -0.16 -0.03 0.00 -0.60 0.00 0.00 32.23 31.37 1p4j h LYS 538 CO -0.05 0.74 0.33 0.37 -3.45 0.00 0.00 179.45 177.38 1p4j h GLN 539 N 0.86 1.08 -0.62 1.90 5.75 -0.79 -1.40 115.11 121.89 1p4j h GLN 539 Ca 0.21 -0.18 -0.04 0.00 -0.15 0.00 0.00 58.65 58.49 1p4j h GLN 539 Cb 0.14 -0.18 -0.03 0.00 1.07 0.00 0.00 27.48 28.48 1p4j h GLN 539 CO -0.02 0.87 0.23 0.93 -2.65 0.00 0.00 178.83 178.18 1p4j h GLU 540 N 1.05 0.94 -0.78 1.69 5.08 -0.74 -1.89 114.58 119.92 1p4j h GLU 540 Ca 0.25 -0.18 -0.02 0.00 -1.00 0.00 0.00 59.36 58.40 1p4j h GLU 540 Cb 0.17 -0.15 -0.04 0.00 0.50 0.00 0.00 28.75 29.23 1p4j h GLU 540 CO -0.03 0.81 0.39 -0.91 -1.00 0.00 0.00 179.01 178.28 1p4j h ASN 541 N 0.88 1.00 -0.23 1.42 2.35 -0.67 -0.86 115.58 119.47 1p4j h ASN 541 Ca 0.21 -0.11 -0.13 0.00 -0.55 0.00 0.00 56.30 55.72 1p4j h ASN 541 Cb 0.24 -0.26 -0.01 0.00 0.05 0.00 0.00 38.32 38.34 1p4j h ASN 541 CO -0.01 0.83 -0.34 0.11 -1.65 0.00 0.00 177.43 176.37 1p4j h LYS 542 N 1.10 0.75 -0.51 0.81 1.57 -1.00 -0.67 116.57 118.61 1p4j h LYS 542 Ca 0.27 -0.35 -0.12 0.00 -1.87 0.00 0.00 60.65 58.57 1p4j h LYS 542 Cb 0.09 -0.01 -0.01 0.00 0.08 0.00 0.00 32.23 32.38 1p4j h LYS 542 CO -0.04 0.97 -0.17 -0.07 -0.57 0.00 0.00 179.45 179.58 1p4j h LEU 543 N 0.63 1.03 -0.44 2.94 3.38 -1.05 0.27 115.31 122.07 1p4j h LEU 543 Ca 0.07 -0.38 -0.02 0.00 0.09 0.00 0.00 57.88 57.64 1p4j h LEU 543 Cb 0.87 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 41.32 1p4j h LEU 543 CO 0.08 1.17 0.20 0.50 0.09 0.00 0.00 178.44 180.48 1p4j h LYS 544 N 0.88 0.64 -0.17 1.13 3.11 -1.00 -1.59 116.57 119.57 1p4j h LYS 544 Ca 0.12 -0.10 -0.19 0.00 -2.81 0.00 0.00 60.65 57.67 1p4j h LYS 544 Cb 0.75 -0.11 0.00 0.00 -1.00 0.00 0.00 32.23 31.86 1p4j h LYS 544 CO 0.06 0.56 -0.67 0.35 -2.81 0.00 0.00 179.45 176.94 1p4j h PHE 545 N 0.57 0.86 0.00 1.91 3.57 -0.93 -2.01 116.94 120.92 1p4j h PHE 545 Ca 0.15 -0.35 -0.02 0.00 3.53 0.00 0.00 57.97 61.28 1p4j h PHE 545 Cb 0.13 -0.14 -0.00 0.00 2.79 0.00 0.00 35.95 38.73 1p4j h PHE 545 CO -0.01 1.14 -0.11 0.00 -2.23 0.00 0.00 178.31 177.10 1p4j h ALA 546 N 0.77 1.44 0.11 2.41 0.00 -0.29 -1.16 119.26 122.54 1p4j h ALA 546 Ca -0.02 -0.10 -0.15 0.00 0.00 0.00 0.00 54.91 54.64 1p4j h ALA 546 Cb 1.26 -0.02 0.02 0.00 0.00 0.00 0.00 17.79 19.05 1p4j h ALA 546 CO 0.13 0.14 -0.65 0.00 0.00 0.00 0.00 179.25 178.87 1p4j h ALA 547 N 1.89 -0.07 -0.84 0.00 0.00 -1.10 -3.26 119.26 115.88 1p4j h ALA 547 Ca -0.00 -0.66 0.06 0.00 0.00 0.00 0.00 54.91 54.31 1p4j h ALA 547 Cb 0.27 0.08 -0.05 0.00 0.00 0.00 0.00 17.79 18.09 1p4j h ALA 547 CO 0.01 0.30 0.55 -0.92 0.00 0.00 0.00 179.25 179.20 1p4j h TYR 548 N -0.50 0.94 -0.90 0.00 5.03 -0.95 -0.47 116.97 120.12 1p4j h TYR 548 Ca -0.11 0.02 0.03 0.00 2.58 0.00 0.00 58.73 61.25 1p4j h TYR 548 Cb 1.51 -0.31 -0.05 0.00 1.55 0.00 0.00 36.73 39.43 1p4j h TYR 548 CO 0.21 0.49 0.59 1.25 -1.32 0.00 0.00 178.16 179.39 1p4j h LEU 549 N 0.93 0.98 0.00 2.82 5.85 -1.30 -1.76 115.31 122.83 1p4j h LEU 549 Ca 0.36 -0.01 -0.12 0.00 0.84 0.00 0.00 57.88 58.95 1p4j h LEU 549 Cb 0.22 -0.23 -0.02 0.00 0.37 0.00 0.00 40.66 41.00 1p4j h LEU 549 CO -0.13 0.68 -0.74 -0.33 -0.34 0.00 0.00 178.44 177.57 1p4j h GLU 550 N 1.14 0.00 0.00 1.25 5.08 -1.32 -2.45 114.58 118.27 1p4j h GLU 550 Ca 0.36 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.72 1p4j h GLU 550 Cb 0.00 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.25 1p4j h GLU 550 CO -0.10 0.47 0.00 0.54 -1.00 0.00 0.00 179.01 178.91 1p4j n ARG 551 N -3.14 0.00 -0.15 2.33 5.12 -0.29 -2.36 116.66 118.17 1p4j n ARG 551 Ca -0.01 0.48 0.10 0.00 -1.93 0.00 0.00 57.85 56.49 1p4j n ARG 551 Cb 0.77 -1.37 0.29 0.00 -1.16 0.00 0.00 32.46 30.99 1p4j n ARG 551 CO 0.00 0.00 0.00 0.39 -1.93 0.00 0.00 177.63 176.09 1p4j n GLU 552 N -1.93 2.00 -0.32 5.56 -0.58 -0.84 -4.36 120.64 120.18 1p4j n GLU 552 Ca 0.00 -1.53 0.00 0.00 -0.42 0.00 0.00 57.16 55.21 1p4j n GLU 552 Cb 0.00 -1.41 0.00 0.00 -0.57 0.00 0.00 31.44 29.46 1p4j n GLU 552 CO 0.00 0.00 0.00 0.66 -0.48 0.00 0.00 177.13 177.31 1p4j n TYR 553 N 0.74 0.00 -3.48 -0.32 4.01 -0.96 -5.06 117.16 112.08 1p4j n TYR 553 Ca 0.17 0.00 -0.18 0.00 -0.16 0.00 0.00 57.90 57.72 1p4j n TYR 553 Cb 0.41 0.10 0.00 0.00 -0.31 0.00 0.00 39.34 39.55 1p4j n TYR 553 CO 0.00 0.00 0.00 1.63 -0.46 0.00 0.00 176.86 178.03 1p4j n LYS 554 N 0.00 -0.74 -3.63 -0.72 4.76 -0.97 -4.81 118.16 112.05 1p4j n LYS 554 Ca 0.00 0.16 -0.28 0.00 -2.87 0.00 0.00 58.31 55.32 1p4j n LYS 554 Cb 0.56 -1.07 -0.16 0.00 -1.84 0.00 0.00 35.03 32.52 1p4j n LYS 554 CO 0.00 0.00 0.00 0.14 -1.37 0.00 0.00 177.40 176.17 1p4j s VAL 555 N -3.18 0.13 0.38 -0.18 -7.23 -1.04 -4.92 120.40 104.36 1p4j s VAL 555 Ca 0.10 -0.54 -0.24 0.00 -1.81 0.00 0.00 61.98 59.49 1p4j s VAL 555 Cb -0.06 -0.90 -0.09 0.00 0.56 0.00 0.00 36.38 35.89 1p4j s VAL 555 CO 0.50 -0.44 1.01 -2.28 -0.31 0.00 0.00 175.10 173.57 1p4j s HIS 556 N 2.02 3.42 0.14 2.82 2.46 -1.26 -3.78 115.29 121.11 1p4j s HIS 556 Ca 0.04 1.69 -0.11 0.00 0.47 0.00 0.00 55.06 57.15 1p4j s HIS 556 Cb -0.16 -3.03 0.00 0.00 -0.13 0.00 0.00 32.58 29.26 1p4j s HIS 556 CO -0.19 -0.30 0.30 0.96 -2.47 0.00 0.00 174.74 173.04 1p4j s ILE 557 N -1.69 0.08 -0.43 0.89 -4.36 -1.26 -5.09 121.20 109.35 1p4j s ILE 557 Ca 0.56 -1.18 -0.16 0.00 -0.26 0.00 0.00 60.65 59.60 1p4j s ILE 557 Cb -0.20 -1.61 0.03 0.00 1.25 0.00 0.00 42.46 41.93 1p4j s ILE 557 CO 0.25 -0.38 0.39 0.21 0.24 0.00 0.00 174.94 175.66 1p4j s ASN 558 N -2.91 6.16 0.15 4.36 2.47 -1.26 -4.95 114.94 118.96 1p4j s ASN 558 Ca 0.11 -0.82 0.11 0.00 0.42 0.00 0.00 52.86 52.68 1p4j s ASN 558 Cb 0.03 -2.20 0.58 0.00 -1.45 0.00 0.00 41.25 38.21 1p4j s ASN 558 CO -0.05 -0.56 1.33 -2.65 -3.72 0.00 0.00 177.10 171.46 1p4j n PRO 559 N 5.44 0.07 0.07 0.43 -0.02 -1.26 -1.96 135.00 137.77 1p4j n PRO 559 Ca -0.09 0.56 0.12 0.00 -2.02 0.00 0.00 63.50 62.06 1p4j n PRO 559 Cb 0.47 -1.72 0.08 0.00 -0.02 0.00 0.00 33.50 32.31 1p4j n PRO 559 CO 0.00 0.00 0.00 -0.91 1.98 0.00 0.00 175.50 176.57 1p4j h ASN 560 N 0.00 0.00 -4.26 2.55 -0.26 -1.98 -3.47 115.58 108.16 1p4j h ASN 560 Ca 0.00 -0.16 -0.47 0.00 -0.56 0.00 0.00 56.30 55.10 1p4j h ASN 560 Cb 0.01 0.00 0.12 0.00 -1.06 0.00 0.00 38.32 37.40 1p4j h ASN 560 CO 0.00 0.08 0.31 -0.94 -1.06 0.00 0.00 177.43 175.83 1p4j s SER 561 N -4.59 3.94 -0.08 5.81 1.04 -0.83 -4.96 113.70 114.03 1p4j s SER 561 Ca 0.03 1.13 -0.30 0.00 0.48 0.00 0.00 55.95 57.29 1p4j s SER 561 Cb 0.12 -1.78 -0.02 0.00 0.10 0.00 0.00 66.02 64.45 1p4j s SER 561 CO 0.76 -2.30 1.03 -0.22 0.98 0.00 0.00 173.24 173.49 1p4j s LEU 562 N -5.92 4.27 -0.66 2.42 0.20 0.13 -4.81 118.68 114.30 1p4j s LEU 562 Ca 0.62 1.59 -0.24 0.00 0.69 0.00 0.00 54.13 56.80 1p4j s LEU 562 Cb -0.15 -3.56 0.06 0.00 -0.43 0.00 0.00 46.19 42.11 1p4j s LEU 562 CO 0.54 -0.44 1.04 -0.36 -0.29 0.00 0.00 176.35 176.84 1p4j s PHE 563 N 1.88 2.59 -0.47 5.38 2.99 -1.26 -0.83 117.98 128.27 1p4j s PHE 563 Ca 0.50 -0.33 -0.19 0.00 0.00 0.00 0.00 56.93 56.90 1p4j s PHE 563 Cb -0.20 -4.35 0.04 0.00 0.00 0.00 0.00 43.02 38.51 1p4j s PHE 563 CO 0.20 -1.71 0.61 0.34 -0.00 0.00 0.00 175.22 174.65 1p4j s ASP 564 N 3.56 6.26 -0.07 1.36 3.68 0.07 -1.60 116.67 129.92 1p4j s ASP 564 Ca 0.27 -0.65 0.04 0.00 2.13 0.00 0.00 52.55 54.34 1p4j s ASP 564 Cb -0.14 -2.29 0.00 0.00 -1.45 0.00 0.00 42.92 39.04 1p4j s ASP 564 CO 0.13 -0.81 -0.20 -0.69 0.13 0.00 0.00 175.17 173.74 1p4j s VAL 565 N 2.65 1.70 -0.31 1.11 1.01 -0.54 0.72 120.40 126.73 1p4j s VAL 565 Ca 0.18 -0.83 0.00 0.00 0.00 0.00 0.00 61.98 61.33 1p4j s VAL 565 Cb -0.17 -1.47 0.10 0.00 0.00 0.00 0.00 36.38 34.84 1p4j s VAL 565 CO 0.15 0.48 0.08 -1.58 0.00 0.00 0.00 175.10 174.23 1p4j s GLN 566 N 0.27 0.88 -0.12 2.72 0.74 0.26 -2.00 119.66 122.41 1p4j s GLN 566 Ca -0.12 -1.22 0.02 0.00 0.05 0.00 0.00 55.36 54.09 1p4j s GLN 566 Cb -0.15 -2.24 0.01 0.00 1.10 0.00 0.00 33.01 31.73 1p4j s GLN 566 CO 0.05 -0.96 -0.19 0.14 -0.55 0.00 0.00 175.29 173.78 1p4j s VAL 567 N 1.47 1.80 0.00 1.34 -7.23 -1.26 -1.84 120.40 114.68 1p4j s VAL 567 Ca 0.10 -0.83 0.00 0.00 -1.81 0.00 0.00 61.98 59.44 1p4j s VAL 567 Cb -0.18 -1.61 0.00 0.00 0.56 0.00 0.00 36.38 35.16 1p4j s VAL 567 CO -0.21 0.50 0.00 2.29 -0.31 0.00 0.00 175.10 177.37 1p4j n LYS 568 N 4.09 0.00 -1.73 4.82 2.85 -0.87 -4.99 118.16 122.32 1p4j n LYS 568 Ca -0.20 0.00 -0.39 0.00 -1.05 0.00 0.00 58.31 56.67 1p4j n LYS 568 Cb 0.51 0.00 0.04 0.00 -0.65 0.00 0.00 35.03 34.93 1p4j n LYS 568 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 177.40 177.89 1p4j n ARG 569 N -0.33 1.75 -2.40 -1.58 5.12 -1.26 -3.95 116.66 114.00 1p4j n ARG 569 Ca 0.00 0.64 -0.43 0.00 -1.93 0.00 0.00 57.85 56.13 1p4j n ARG 569 Cb 0.00 -2.54 -0.02 0.00 -1.16 0.00 0.00 32.46 28.74 1p4j n ARG 569 CO 0.00 0.00 0.00 0.42 -1.93 0.00 0.00 177.63 176.12 1p4j s ILE 570 N -1.28 4.25 -0.04 0.55 -1.09 -0.49 -4.90 121.20 118.21 1p4j s ILE 570 Ca 0.69 1.51 -0.13 0.00 -2.23 0.00 0.00 60.65 60.49 1p4j s ILE 570 Cb -0.43 -3.97 0.02 0.00 -1.58 0.00 0.00 42.46 36.50 1p4j s ILE 570 CO 0.51 -0.13 0.29 -1.00 -1.23 0.00 0.00 174.94 173.39 1p4j s HIS 571 N 3.48 -0.20 0.19 3.97 3.76 -1.26 -4.72 115.29 120.52 1p4j s HIS 571 Ca 0.56 0.36 -0.07 0.00 -0.15 0.00 0.00 55.06 55.75 1p4j s HIS 571 Cb -0.22 0.09 0.11 0.00 1.11 0.00 0.00 32.58 33.67 1p4j s HIS 571 CO 0.16 -0.33 1.64 0.93 -0.85 0.00 0.00 174.74 176.28 1p4j h GLU 572 N 4.31 0.98 0.00 1.40 5.08 -1.97 -2.75 114.58 121.63 1p4j h GLU 572 Ca -0.29 -0.34 -0.04 0.00 -1.00 0.00 0.00 59.36 57.70 1p4j h GLU 572 Cb 1.18 -0.08 -0.01 0.00 0.50 0.00 0.00 28.75 30.35 1p4j h GLU 572 CO 0.38 1.01 -0.17 0.10 -1.00 0.00 0.00 179.01 179.33 1p4j h TYR 573 N 0.88 0.00 0.00 4.33 -0.00 -1.97 -1.48 116.97 118.73 1p4j h TYR 573 Ca 0.15 0.00 0.00 0.00 0.00 0.00 0.00 58.73 58.88 1p4j h TYR 573 Cb 0.62 0.00 0.00 0.00 0.00 0.00 0.00 36.73 37.35 1p4j h TYR 573 CO 0.04 0.17 0.00 1.63 -0.00 0.00 0.00 178.16 180.00 1p4j n LYS 574 N -3.69 0.10 -3.77 0.10 5.02 -1.05 -2.99 118.16 111.88 1p4j n LYS 574 Ca -0.02 0.11 -0.23 0.00 -2.02 0.00 0.00 58.31 56.16 1p4j n LYS 574 Cb 0.29 -1.62 0.02 0.00 -0.02 0.00 0.00 35.03 33.70 1p4j n LYS 574 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 1p4j n ARG 575 N -1.80 -4.65 0.29 1.97 1.74 -0.56 -4.10 116.66 109.55 1p4j n ARG 575 Ca 0.06 0.58 0.17 0.00 -0.77 0.00 0.00 57.85 57.88 1p4j n ARG 575 Cb 0.36 -5.08 0.95 0.00 -1.02 0.00 0.00 32.46 27.66 1p4j n ARG 575 CO 0.00 0.00 0.00 1.96 -1.52 0.00 0.00 177.63 178.07 1p4j h GLN 576 N -1.88 0.00 -0.48 5.56 7.50 -1.84 -0.89 115.11 123.08 1p4j h GLN 576 Ca -0.61 0.00 -0.04 0.00 0.50 0.00 0.00 58.65 58.50 1p4j h GLN 576 Cb 1.36 0.00 -0.02 0.00 0.05 0.00 0.00 27.48 28.87 1p4j h GLN 576 CO 0.59 0.00 0.13 -0.07 -1.50 0.00 0.00 178.83 177.97 1p4j h LEU 577 N 0.00 0.67 -0.82 1.46 3.38 -1.90 -0.98 115.31 117.11 1p4j h LEU 577 Ca 0.01 -0.10 -0.08 0.00 0.09 0.00 0.00 57.88 57.80 1p4j h LEU 577 Cb 0.10 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 40.65 1p4j h LEU 577 CO -0.00 0.65 0.01 0.25 0.09 0.00 0.00 178.44 179.45 1p4j h LEU 578 N 0.70 0.86 -0.49 1.67 5.85 -1.53 -1.09 115.31 121.29 1p4j h LEU 578 Ca 0.16 -0.22 -0.04 0.00 0.84 0.00 0.00 57.88 58.63 1p4j h LEU 578 Cb 0.25 -0.23 -0.02 0.00 0.37 0.00 0.00 40.66 41.03 1p4j h LEU 578 CO -0.00 0.92 0.17 -1.13 -0.34 0.00 0.00 178.44 178.05 1p4j h ASN 579 N 0.83 0.70 -0.76 1.25 -0.00 -1.36 -2.32 115.58 113.93 1p4j h ASN 579 Ca 0.16 -0.20 0.03 0.00 -0.00 0.00 0.00 56.30 56.30 1p4j h ASN 579 Cb 0.48 -0.18 -0.05 0.00 -0.00 0.00 0.00 38.32 38.57 1p4j h ASN 579 CO 0.02 0.71 0.48 0.00 -0.00 0.00 0.00 177.43 178.64 1p4j h LEU 581 N 0.93 0.80 -0.11 0.00 3.38 -0.88 -1.32 115.31 118.11 1p4j h LEU 581 Ca 0.31 -0.06 -0.03 0.00 0.09 0.00 0.00 57.88 58.19 1p4j h LEU 581 Cb 0.02 -0.20 -0.00 0.00 0.09 0.00 0.00 40.66 40.57 1p4j h LEU 581 CO -0.11 0.65 -0.03 -0.74 0.09 0.00 0.00 178.44 178.29 1p4j h HIS 582 N 0.91 0.25 -0.66 1.13 2.76 -0.79 -1.85 115.15 116.89 1p4j h HIS 582 Ca 0.23 -0.05 0.09 0.00 -2.20 0.00 0.00 60.37 58.44 1p4j h HIS 582 Cb 0.02 -0.06 -0.07 0.00 1.55 0.00 0.00 27.41 28.85 1p4j h HIS 582 CO 0.01 0.52 0.29 0.28 -1.30 0.00 0.00 177.93 177.73 1p4j h VAL 583 N -0.10 0.80 -0.39 5.26 2.07 -0.77 -0.27 116.25 122.85 1p4j h VAL 583 Ca 0.03 -0.17 -0.07 0.00 0.82 0.00 0.00 66.70 67.30 1p4j h VAL 583 Cb 0.44 0.26 -0.02 0.00 -1.52 0.00 0.00 31.29 30.45 1p4j h VAL 583 CO 0.01 0.09 -0.07 0.40 0.02 0.00 0.00 177.57 178.03 1p4j h ILE 584 N 0.50 1.24 -0.41 4.57 2.04 -1.21 -1.62 117.51 122.62 1p4j h ILE 584 Ca 0.33 -1.02 -0.01 0.00 1.00 0.00 0.00 64.86 65.16 1p4j h ILE 584 Cb 0.38 1.01 -0.02 0.00 -0.74 0.00 0.00 36.82 37.46 1p4j h ILE 584 CO -0.29 0.35 0.23 0.74 0.00 0.00 0.00 178.15 179.17 1p4j h THR 585 N 0.60 1.15 -0.80 -0.27 2.02 -0.24 -0.24 112.91 115.14 1p4j h THR 585 Ca 0.11 -0.40 -0.03 0.00 0.77 0.00 0.00 66.41 66.87 1p4j h THR 585 Cb 0.48 0.67 -0.04 0.00 -1.74 0.00 0.00 68.15 67.52 1p4j h THR 585 CO 0.03 0.16 0.39 -0.07 0.37 0.00 0.00 175.52 176.39 1p4j h LEU 586 N 0.53 1.05 -0.08 2.58 4.07 -0.76 -1.23 115.31 121.47 1p4j h LEU 586 Ca 0.14 -0.13 -0.00 0.00 0.08 0.00 0.00 57.88 57.97 1p4j h LEU 586 Cb 0.06 -0.27 -0.00 0.00 1.08 0.00 0.00 40.66 41.52 1p4j h LEU 586 CO -0.02 0.89 0.03 0.22 -1.08 0.00 0.00 178.44 178.48 1p4j h TYR 587 N 1.14 0.12 -0.52 1.13 5.03 -0.91 -2.04 116.97 120.91 1p4j h TYR 587 Ca 0.28 -0.01 -0.04 0.00 2.58 0.00 0.00 58.73 61.54 1p4j h TYR 587 Cb 0.12 -0.04 -0.02 0.00 1.55 0.00 0.00 36.73 38.34 1p4j h TYR 587 CO 0.01 0.21 0.16 -0.91 -1.32 0.00 0.00 178.16 176.31 1p4j h ASN 588 N -0.01 0.71 -0.09 -2.11 2.35 -0.85 -1.57 115.58 114.00 1p4j h ASN 588 Ca 0.03 -0.11 -0.09 0.00 -0.55 0.00 0.00 56.30 55.58 1p4j h ASN 588 Cb 0.14 -0.18 -0.01 0.00 0.05 0.00 0.00 38.32 38.32 1p4j h ASN 588 CO -0.00 0.68 -0.23 0.03 -1.65 0.00 0.00 177.43 176.26 1p4j h ARG 589 N 0.75 0.51 -0.23 0.81 3.08 -1.09 -1.19 114.38 117.02 1p4j h ARG 589 Ca 0.17 -0.18 -0.11 0.00 0.07 0.00 0.00 59.98 59.93 1p4j h ARG 589 Cb 0.23 -0.03 -0.00 0.00 0.08 0.00 0.00 29.97 30.24 1p4j h ARG 589 CO -0.01 0.70 -0.27 0.82 -1.07 0.00 0.00 179.97 180.14 1p4j h ILE 590 N 0.45 1.32 0.00 2.04 2.04 -0.90 -2.30 117.51 120.17 1p4j h ILE 590 Ca 0.07 -1.45 -0.04 0.00 1.00 0.00 0.00 64.86 64.44 1p4j h ILE 590 Cb 0.64 1.71 -0.01 0.00 -0.74 0.00 0.00 36.82 38.43 1p4j h ILE 590 CO 0.05 0.45 -0.17 0.11 0.00 0.00 0.00 178.15 178.59 1p4j h LYS 591 N 0.30 0.00 -0.07 2.37 1.79 -1.12 0.49 116.57 120.33 1p4j h LYS 591 Ca 0.03 0.00 -0.24 0.00 -2.18 0.00 0.00 60.65 58.26 1p4j h LYS 591 Cb 0.84 0.00 0.02 0.00 -1.58 0.00 0.00 32.23 31.50 1p4j h LYS 591 CO 0.07 0.17 -0.90 -0.22 -1.08 0.00 0.00 179.45 177.49 1p4j h LYS 592 N 0.00 0.73 -2.35 3.15 1.63 -1.08 -3.39 116.57 115.27 1p4j h LYS 592 Ca -0.00 -0.69 -0.59 0.00 -0.85 0.00 0.00 60.65 58.52 1p4j h LYS 592 Cb 0.31 0.18 -0.39 0.00 -0.60 0.00 0.00 32.23 31.72 1p4j h LYS 592 CO 0.02 1.28 -0.92 0.39 -3.45 0.00 0.00 179.45 176.77 1p4j n GLU 593 N -3.92 0.79 -0.36 1.90 1.02 -0.88 -5.01 120.64 114.19 1p4j n GLU 593 Ca -0.09 -3.51 0.07 0.00 -0.02 0.00 0.00 57.16 53.60 1p4j n GLU 593 Cb 0.81 -1.68 0.25 0.00 -0.02 0.00 0.00 31.44 30.80 1p4j n GLU 593 CO 0.00 0.00 0.00 -1.35 1.18 0.00 0.00 177.13 176.96 1p4j h PRO 594 N 4.99 0.96 -0.88 3.49 0.11 -1.11 -2.83 132.00 136.74 1p4j h PRO 594 Ca 0.19 -0.06 -0.25 0.00 0.11 0.00 0.00 66.00 65.99 1p4j h PRO 594 Cb 0.86 -0.22 -0.15 0.00 0.11 0.00 0.00 31.00 31.60 1p4j h PRO 594 CO 0.49 0.64 0.32 0.09 -0.21 0.00 0.00 178.00 179.32 1p4j n ASN 595 N -4.60 3.99 -4.80 -2.05 4.13 -1.26 -4.85 115.26 105.81 1p4j n ASN 595 Ca 0.18 -3.05 -0.36 0.00 1.68 0.00 0.00 54.58 53.04 1p4j n ASN 595 Cb 0.35 -0.72 -0.07 0.00 -1.54 0.00 0.00 39.78 37.80 1p4j n ASN 595 CO 0.00 0.00 0.00 -0.75 0.28 0.00 0.00 177.26 176.79 1p4j s LYS 596 N -2.47 3.25 0.32 3.52 2.36 -1.07 -5.08 119.74 120.57 1p4j s LYS 596 Ca 0.43 -0.26 -0.27 0.00 -2.55 0.00 0.00 55.97 53.32 1p4j s LYS 596 Cb 0.35 -3.02 -0.09 0.00 -1.05 0.00 0.00 37.83 34.02 1p4j s LYS 596 CO 0.10 0.74 1.03 0.12 1.55 0.00 0.00 175.35 178.89 1p4j s PHE 597 N -1.00 3.56 -0.04 4.03 5.36 -1.26 -5.06 117.98 123.57 1p4j s PHE 597 Ca 0.15 1.73 -0.08 0.00 -0.96 0.00 0.00 56.93 57.77 1p4j s PHE 597 Cb -0.12 -3.11 0.01 0.00 -0.34 0.00 0.00 43.02 39.46 1p4j s PHE 597 CO 0.05 -0.27 0.19 0.14 -1.46 0.00 0.00 175.22 173.87 1p4j s VAL 598 N -1.43 0.04 0.05 3.12 -7.23 -1.26 -5.12 120.40 108.58 1p4j s VAL 598 Ca 0.50 -0.33 -0.30 0.00 -1.81 0.00 0.00 61.98 60.03 1p4j s VAL 598 Cb -0.25 -0.39 -0.08 0.00 0.56 0.00 0.00 36.38 36.22 1p4j s VAL 598 CO 0.32 -0.18 1.69 -0.69 -0.31 0.00 0.00 175.10 175.92 1p4j s VAL 599 N -0.66 3.09 0.42 1.32 1.01 -1.26 -4.94 120.40 119.38 1p4j s VAL 599 Ca -0.07 0.46 -0.26 0.00 0.00 0.00 0.00 61.98 62.10 1p4j s VAL 599 Cb -0.04 -3.29 -0.09 0.00 0.00 0.00 0.00 36.38 32.95 1p4j s VAL 599 CO 0.01 -0.01 1.40 -2.84 0.00 0.00 0.00 175.10 173.66 1p4j s PRO 600 N 3.01 3.89 0.01 2.72 0.02 -1.26 -4.92 135.00 138.47 1p4j s PRO 600 Ca 0.75 2.36 -0.02 0.00 0.02 0.00 0.00 61.00 64.12 1p4j s PRO 600 Cb -0.39 -2.77 -0.01 0.00 0.02 0.00 0.00 34.50 31.34 1p4j s PRO 600 CO 0.33 -0.63 0.01 1.03 -0.33 0.00 0.00 177.00 177.42 1p4j s ARG 601 N -2.28 0.30 -0.28 5.54 0.52 -0.71 -0.69 118.95 121.34 1p4j s ARG 601 Ca 0.57 -0.45 0.03 0.00 -0.52 0.00 0.00 55.73 55.36 1p4j s ARG 601 Cb -0.42 0.11 0.07 0.00 0.52 0.00 0.00 34.95 35.23 1p4j s ARG 601 CO 0.55 -0.06 -0.04 0.99 0.02 0.00 0.00 175.30 176.77 1p4j s THR 602 N -1.19 2.04 -0.32 0.02 2.01 -0.01 -2.20 115.64 115.99 1p4j s THR 602 Ca -0.13 -1.79 -0.18 0.00 0.31 0.00 0.00 61.69 59.90 1p4j s THR 602 Cb -0.08 -2.30 -0.01 0.00 0.01 0.00 0.00 72.50 70.12 1p4j s THR 602 CO -0.00 -0.25 0.52 -0.69 -0.69 0.00 0.00 174.62 173.50 1p4j s VAL 603 N 1.11 5.03 -0.16 3.82 1.01 -0.51 -0.75 120.40 129.95 1p4j s VAL 603 Ca -0.01 0.53 -0.02 0.00 0.00 0.00 0.00 61.98 62.48 1p4j s VAL 603 Cb -0.19 -3.92 -0.01 0.00 0.00 0.00 0.00 36.38 32.25 1p4j s VAL 603 CO -0.07 -0.12 -0.09 -0.04 0.00 0.00 0.00 175.10 174.78 1p4j s MET 604 N 2.38 3.43 -0.06 2.72 -1.94 0.22 -1.44 119.30 124.60 1p4j s MET 604 Ca 0.20 -0.64 0.02 0.00 -1.71 0.00 0.00 55.69 53.56 1p4j s MET 604 Cb -0.15 -2.78 0.01 0.00 2.01 0.00 0.00 34.83 33.92 1p4j s MET 604 CO 0.12 0.11 -0.12 0.42 -0.01 0.00 0.00 175.02 175.54 1p4j s ILE 605 N 0.66 1.08 0.07 2.53 1.01 -0.60 -0.57 121.20 125.38 1p4j s ILE 605 Ca -0.05 -0.46 -0.10 0.00 0.00 0.00 0.00 60.65 60.04 1p4j s ILE 605 Cb -0.15 -0.99 0.01 0.00 0.01 0.00 0.00 42.46 41.33 1p4j s ILE 605 CO 0.02 0.34 0.22 -0.83 0.00 0.00 0.00 174.94 174.70 1p4j s GLY 606 N 0.61 0.02 0.00 6.18 0.00 -0.77 -0.44 107.32 112.93 1p4j s GLY 606 Ca -0.13 -0.41 0.00 0.00 0.00 0.00 0.00 44.72 44.18 1p4j s GLY 606 CO 0.03 -0.60 0.00 0.61 0.00 0.00 0.00 173.10 173.14 1p4j n GLY 607 N 0.21 3.93 3.91 0.20 0.00 -1.25 -2.05 105.19 110.14 1p4j n GLY 607 Ca -0.17 -0.99 -0.30 0.00 0.00 0.00 0.00 46.02 44.56 1p4j n GLY 607 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1p4j s LYS 608 N -2.71 3.56 -0.03 1.61 1.02 -1.26 -4.63 119.74 117.31 1p4j s LYS 608 Ca 0.00 -0.21 0.02 0.00 0.02 0.00 0.00 55.97 55.80 1p4j s LYS 608 Cb 0.00 -2.86 -0.03 0.00 -0.52 0.00 0.00 37.83 34.42 1p4j s LYS 608 CO 0.00 0.45 -0.07 0.00 -0.92 0.00 0.00 175.35 174.81 1p4j s ALA 609 N -1.73 2.98 0.34 5.17 0.00 -1.26 -1.39 121.76 125.87 1p4j s ALA 609 Ca 0.40 -0.97 -0.29 0.00 0.00 0.00 0.00 51.96 51.10 1p4j s ALA 609 Cb -0.12 -1.16 -0.11 0.00 0.00 0.00 0.00 23.12 21.74 1p4j s ALA 609 CO 0.27 0.59 1.45 0.00 0.00 0.00 0.00 175.76 178.07 1p4j s ALA 610 N -0.90 3.58 0.35 0.00 0.00 -1.26 -4.88 121.76 118.65 1p4j s ALA 610 Ca 0.15 1.46 0.14 0.00 0.00 0.00 0.00 51.96 53.70 1p4j s ALA 610 Cb -0.11 -3.57 1.00 0.00 0.00 0.00 0.00 23.12 20.43 1p4j s ALA 610 CO 0.05 -0.90 1.73 -1.35 0.00 0.00 0.00 175.76 175.29 1p4j h PRO 611 N 3.62 0.46 -0.54 0.00 0.11 -1.98 -1.64 132.00 132.02 1p4j h PRO 611 Ca -0.49 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.59 1p4j h PRO 611 Cb 1.23 -0.10 0.00 0.00 0.11 0.00 0.00 31.00 32.24 1p4j h PRO 611 CO 0.68 0.31 0.00 0.41 -0.21 0.00 0.00 178.00 179.19 1p4j n GLY 612 N -1.37 1.69 3.39 -0.55 0.00 -1.26 -4.75 105.19 102.34 1p4j n GLY 612 Ca 0.27 -0.64 -0.45 0.00 0.00 0.00 0.00 46.02 45.20 1p4j n GLY 612 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1p4j s TYR 613 N -1.28 3.53 0.15 1.61 6.04 -0.62 -4.93 117.35 121.86 1p4j s TYR 613 Ca 0.39 -1.84 -0.21 0.00 0.04 0.00 0.00 57.07 55.45 1p4j s TYR 613 Cb 0.21 -4.05 0.02 0.00 -1.04 0.00 0.00 41.96 37.10 1p4j s TYR 613 CO 0.28 -1.22 1.65 1.25 -1.54 0.00 0.00 175.55 175.96 1p4j h HIS 614 N 8.03 -0.48 -0.95 4.97 -0.00 -1.85 -2.10 115.15 122.77 1p4j h HIS 614 Ca 0.15 0.03 0.06 0.00 -0.00 0.00 0.00 60.37 60.62 1p4j h HIS 614 Cb 1.00 0.25 -0.06 0.00 -0.00 0.00 0.00 27.41 28.60 1p4j h HIS 614 CO 1.07 -0.26 0.62 1.98 -0.00 0.00 0.00 177.93 181.33 1p4j h MET 615 N -0.19 1.08 -0.66 5.26 1.85 -1.98 -0.65 114.93 119.64 1p4j h MET 615 Ca 0.13 -0.06 -0.05 0.00 -0.61 0.00 0.00 59.70 59.11 1p4j h MET 615 Cb 0.39 -0.24 -0.03 0.00 0.43 0.00 0.00 31.60 32.15 1p4j h MET 615 CO -0.34 0.71 0.21 0.00 -0.40 0.00 0.00 176.91 177.09 1p4j h ALA 616 N 1.48 1.13 -0.01 0.39 0.00 -1.79 -1.25 119.26 119.20 1p4j h ALA 616 Ca 0.40 -0.20 -0.12 0.00 0.00 0.00 0.00 54.91 54.99 1p4j h ALA 616 Cb 0.16 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 17.67 1p4j h ALA 616 CO -0.15 0.60 -0.55 0.87 0.00 0.00 0.00 179.25 180.02 1p4j h LYS 617 N 0.97 0.04 -0.06 0.00 1.57 -0.61 -2.81 116.57 115.67 1p4j h LYS 617 Ca 0.22 -0.02 -0.14 0.00 -1.87 0.00 0.00 60.65 58.84 1p4j h LYS 617 Cb 0.27 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.57 1p4j h LYS 617 CO -0.01 0.58 -0.59 0.52 -0.57 0.00 0.00 179.45 179.38 1p4j h MET 618 N 0.03 0.18 -0.58 3.15 2.86 -0.53 -2.82 114.93 117.23 1p4j h MET 618 Ca -0.00 -0.12 -0.10 0.00 -2.06 0.00 0.00 59.70 57.41 1p4j h MET 618 Cb 0.98 0.02 -0.02 0.00 0.06 0.00 0.00 31.60 32.64 1p4j h MET 618 CO 0.07 0.72 -0.05 0.82 1.06 0.00 0.00 176.91 179.54 1p4j h ILE 619 N 0.14 1.27 -0.41 -1.22 2.04 -1.01 -1.27 117.51 117.04 1p4j h ILE 619 Ca -0.00 -1.20 -0.02 0.00 1.00 0.00 0.00 64.86 64.64 1p4j h ILE 619 Cb 1.07 0.87 -0.02 0.00 -0.74 0.00 0.00 36.82 38.00 1p4j h ILE 619 CO 0.09 0.43 0.19 0.40 0.00 0.00 0.00 178.15 179.26 1p4j h ILE 620 N 0.94 1.18 -0.84 -0.67 2.04 -1.40 -1.31 117.51 117.44 1p4j h ILE 620 Ca 0.16 -0.51 -0.01 0.00 1.00 0.00 0.00 64.86 65.50 1p4j h ILE 620 Cb 0.60 0.76 -0.04 0.00 -0.74 0.00 0.00 36.82 37.40 1p4j h ILE 620 CO 0.04 0.19 0.50 0.50 0.00 0.00 0.00 178.15 179.38 1p4j h LYS 621 N 0.52 1.14 -0.43 2.37 1.63 -1.28 -1.92 116.57 118.61 1p4j h LYS 621 Ca 0.14 -0.11 -0.01 0.00 -0.85 0.00 0.00 60.65 59.82 1p4j h LYS 621 Cb 0.13 -0.24 -0.02 0.00 -0.60 0.00 0.00 32.23 31.50 1p4j h LYS 621 CO -0.02 0.81 0.22 1.25 -3.45 0.00 0.00 179.45 178.26 1p4j h LEU 622 N 1.16 0.56 -0.33 5.20 6.46 -0.80 -0.28 115.31 127.28 1p4j h LEU 622 Ca 0.30 -0.12 0.00 0.00 -0.12 0.00 0.00 57.88 57.95 1p4j h LEU 622 Cb -0.03 -0.14 -0.02 0.00 -0.73 0.00 0.00 40.66 39.74 1p4j h LEU 622 CO -0.05 0.52 0.22 0.40 -0.62 0.00 0.00 178.44 178.90 1p4j h ILE 623 N 0.56 1.08 -0.11 4.05 2.04 -0.71 -0.51 117.51 123.91 1p4j h ILE 623 Ca 0.15 -0.15 -0.10 0.00 1.00 0.00 0.00 64.86 65.76 1p4j h ILE 623 Cb 0.10 0.60 -0.01 0.00 -0.74 0.00 0.00 36.82 36.77 1p4j h ILE 623 CO -0.02 0.08 -0.38 0.71 0.00 0.00 0.00 178.15 178.54 1p4j h THR 624 N 0.44 1.29 -0.44 -0.27 1.35 -1.22 -2.20 112.91 111.86 1p4j h THR 624 Ca 0.12 -1.44 -0.11 0.00 -0.55 0.00 0.00 66.41 64.44 1p4j h THR 624 Cb -0.05 1.63 -0.02 0.00 -1.73 0.00 0.00 68.15 67.98 1p4j h THR 624 CO -0.03 0.43 -0.15 0.00 -0.25 0.00 0.00 175.52 175.53 1p4j h ALA 625 N 1.41 0.90 -0.30 6.62 0.00 -0.55 -0.86 119.26 126.47 1p4j h ALA 625 Ca 0.02 -0.34 -0.03 0.00 0.00 0.00 0.00 54.91 54.55 1p4j h ALA 625 Cb 0.76 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.37 1p4j h ALA 625 CO 0.06 0.63 0.05 0.82 0.00 0.00 0.00 179.25 180.81 1p4j h ILE 626 N 0.74 1.23 -0.95 0.00 2.04 -0.87 -2.85 117.51 116.85 1p4j h ILE 626 Ca 0.12 -0.79 0.04 0.00 1.00 0.00 0.00 64.86 65.22 1p4j h ILE 626 Cb 0.66 1.17 -0.06 0.00 -0.74 0.00 0.00 36.82 37.85 1p4j h ILE 626 CO 0.05 0.26 0.62 1.23 0.00 0.00 0.00 178.15 180.31 1p4j h GLY 627 N 0.32 1.39 0.72 5.37 0.00 -1.12 0.20 103.07 109.95 1p4j h GLY 627 Ca 0.09 -0.47 0.09 0.00 0.00 0.00 0.00 47.33 47.04 1p4j h GLY 627 CO 0.01 0.40 0.60 -0.55 0.00 0.00 0.00 176.54 177.00 1p4j h ASP 628 N 1.20 0.89 0.00 0.19 3.45 -0.94 0.19 116.42 121.40 1p4j h ASP 628 Ca 0.38 0.02 -0.02 0.00 0.43 0.00 0.00 57.03 57.84 1p4j h ASP 628 Cb 0.00 -0.17 -0.00 0.00 -0.56 0.00 0.00 39.33 38.60 1p4j h ASP 628 CO -0.12 0.53 -0.11 0.58 -1.57 0.00 0.00 179.24 178.55 1p4j h VAL 629 N 0.99 1.66 -0.29 -1.35 2.07 -1.22 -3.34 116.25 114.77 1p4j h VAL 629 Ca 0.42 -2.29 -0.03 0.00 0.82 0.00 0.00 66.70 65.62 1p4j h VAL 629 Cb 0.33 3.19 -0.01 0.00 -1.52 0.00 0.00 31.29 33.27 1p4j h VAL 629 CO -0.18 0.56 0.07 0.58 0.02 0.00 0.00 177.57 178.62 1p4j h VAL 630 N -1.00 1.22 0.00 2.57 2.07 -0.86 -2.99 116.25 117.27 1p4j h VAL 630 Ca -0.03 -0.73 0.00 0.00 0.82 0.00 0.00 66.70 66.76 1p4j h VAL 630 Cb 1.00 1.15 0.00 0.00 -1.52 0.00 0.00 31.29 31.92 1p4j h VAL 630 CO -0.02 0.24 0.00 0.59 0.02 0.00 0.00 177.57 178.40 1p4j n ASN 631 N -4.68 0.00 -0.07 0.57 3.02 0.66 -2.93 115.26 111.84 1p4j n ASN 631 Ca -0.03 0.43 0.01 0.00 -0.03 0.00 0.00 54.58 54.96 1p4j n ASN 631 Cb 0.19 -0.47 0.02 0.00 -0.61 0.00 0.00 39.78 38.91 1p4j n ASN 631 CO 0.00 0.00 0.00 1.41 -2.62 0.00 0.00 177.26 176.05 1p4j n HIS 632 N -1.47 0.05 -2.94 3.10 8.25 -1.18 -4.97 115.22 116.07 1p4j n HIS 632 Ca 0.04 -0.47 -0.43 0.00 -0.26 0.00 0.00 57.72 56.61 1p4j n HIS 632 Cb 0.16 -0.04 -0.05 0.00 1.12 0.00 0.00 29.99 31.18 1p4j n HIS 632 CO 0.00 0.00 0.00 0.34 0.64 0.00 0.00 176.34 177.32 1p4j s ASP 633 N -0.94 6.49 0.27 0.41 -1.08 -1.14 -4.94 116.67 115.74 1p4j s ASP 633 Ca 0.02 0.13 0.01 0.00 -0.52 0.00 0.00 52.55 52.19 1p4j s ASP 633 Cb 0.01 -2.40 0.59 0.00 -1.46 0.00 0.00 42.92 39.67 1p4j s ASP 633 CO 0.02 -0.85 1.74 -0.65 0.52 0.00 0.00 175.17 175.95 1p4j h PRO 634 N 8.77 0.54 -0.07 4.34 0.11 -1.93 -1.28 132.00 142.48 1p4j h PRO 634 Ca -0.25 -0.03 -0.02 0.00 0.11 0.00 0.00 66.00 65.81 1p4j h PRO 634 Cb 1.09 -0.12 -0.01 0.00 0.11 0.00 0.00 31.00 32.07 1p4j h PRO 634 CO 0.95 0.36 -0.04 0.28 -0.21 0.00 0.00 178.00 179.34 1p4j h VAL 635 N 0.56 1.07 -0.09 3.15 2.07 -1.98 -2.90 116.25 118.13 1p4j h VAL 635 Ca 0.49 -0.30 -0.10 0.00 0.82 0.00 0.00 66.70 67.62 1p4j h VAL 635 Cb 0.78 1.06 0.00 0.00 -1.52 0.00 0.00 31.29 31.62 1p4j h VAL 635 CO -0.41 0.09 -0.32 0.58 0.02 0.00 0.00 177.57 177.53 1p4j h VAL 636 N 0.09 1.40 0.00 2.57 2.07 -1.57 -3.49 116.25 117.32 1p4j h VAL 636 Ca 0.02 -1.67 0.00 0.00 0.82 0.00 0.00 66.70 65.87 1p4j h VAL 636 Cb 0.13 2.23 0.00 0.00 -1.52 0.00 0.00 31.29 32.13 1p4j h VAL 636 CO 0.01 0.49 0.00 0.61 0.02 0.00 0.00 177.57 178.69 1p4j n GLY 637 N 0.61 1.91 1.61 2.17 0.00 -1.10 -2.65 105.19 107.75 1p4j n GLY 637 Ca -0.08 -0.60 0.05 0.00 0.00 0.00 0.00 46.02 45.40 1p4j n GLY 637 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1p4j n ASP 638 N 2.11 4.77 0.14 1.61 5.75 -1.26 -4.27 116.55 125.41 1p4j n ASP 638 Ca 0.00 -2.74 0.04 0.00 -0.01 0.00 0.00 54.79 52.08 1p4j n ASP 638 Cb 0.00 -0.65 0.03 0.00 -1.03 0.00 0.00 41.12 39.47 1p4j n ASP 638 CO 0.00 0.00 0.00 0.03 -0.11 0.00 0.00 177.20 177.12 1p4j h ARG 639 N 3.17 0.00 -2.36 0.11 3.08 -1.85 -3.43 114.38 113.10 1p4j h ARG 639 Ca 0.00 0.00 -0.05 0.00 0.07 0.00 0.00 59.98 60.00 1p4j h ARG 639 Cb 1.68 0.00 -0.25 0.00 0.08 0.00 0.00 29.97 31.48 1p4j h ARG 639 CO 0.39 0.40 -0.26 -1.17 -1.07 0.00 0.00 179.97 178.27 1p4j s LEU 640 N -6.34 -0.69 0.08 3.04 2.96 -1.26 -1.74 118.68 114.73 1p4j s LEU 640 Ca 0.04 1.17 0.07 0.00 -0.22 0.00 0.00 54.13 55.19 1p4j s LEU 640 Cb 0.07 1.69 -0.03 0.00 0.50 0.00 0.00 46.19 48.42 1p4j s LEU 640 CO 0.74 -0.22 -0.20 -0.13 -1.32 0.00 0.00 176.35 175.22 1p4j s ARG 641 N 2.32 1.16 -0.23 1.98 1.81 -0.93 -4.65 118.95 120.41 1p4j s ARG 641 Ca -0.05 -1.05 -0.00 0.00 -1.72 0.00 0.00 55.73 52.90 1p4j s ARG 641 Cb -0.10 -1.34 0.06 0.00 -0.45 0.00 0.00 34.95 33.11 1p4j s ARG 641 CO -0.15 0.32 -0.02 0.08 -0.68 0.00 0.00 175.30 174.85 1p4j s VAL 642 N -1.04 1.22 -0.09 3.52 1.01 -1.26 -1.42 120.40 122.34 1p4j s VAL 642 Ca 0.06 -1.07 0.03 0.00 0.00 0.00 0.00 61.98 60.99 1p4j s VAL 642 Cb -0.09 -1.59 -0.01 0.00 0.00 0.00 0.00 36.38 34.68 1p4j s VAL 642 CO 0.03 -0.18 -0.18 -0.63 0.00 0.00 0.00 175.10 174.15 1p4j s ILE 643 N 1.53 2.68 -0.34 2.22 -1.09 -0.52 -4.55 121.20 121.13 1p4j s ILE 643 Ca -0.03 -0.82 -0.12 0.00 -2.23 0.00 0.00 60.65 57.45 1p4j s ILE 643 Cb -0.18 -2.07 -0.01 0.00 -1.58 0.00 0.00 42.46 38.62 1p4j s ILE 643 CO -0.08 0.55 0.22 0.12 -1.23 0.00 0.00 174.94 174.53 1p4j s PHE 644 N -0.00 3.22 -0.48 3.97 2.19 -1.26 -1.55 117.98 124.06 1p4j s PHE 644 Ca -0.06 -0.31 -0.28 0.00 0.33 0.00 0.00 56.93 56.61 1p4j s PHE 644 Cb -0.15 -2.45 0.01 0.00 -1.31 0.00 0.00 43.02 39.12 1p4j s PHE 644 CO 0.05 -0.39 1.45 -0.51 1.83 0.00 0.00 175.22 177.64 1p4j s LEU 645 N 1.70 3.49 0.35 6.12 1.02 0.41 -4.96 118.68 126.81 1p4j s LEU 645 Ca 0.06 0.59 -0.27 0.00 0.02 0.00 0.00 54.13 54.53 1p4j s LEU 645 Cb -0.17 -3.29 -0.09 0.00 0.02 0.00 0.00 46.19 42.65 1p4j s LEU 645 CO 0.10 -1.60 1.17 -0.70 0.02 0.00 0.00 176.35 175.33 1p4j s GLU 646 N 5.30 4.30 -1.38 1.70 2.12 -1.26 -3.94 118.70 125.53 1p4j s GLU 646 Ca 0.58 1.89 -0.03 0.00 0.36 0.00 0.00 54.97 57.78 1p4j s GLU 646 Cb -0.13 -2.90 0.02 0.00 0.26 0.00 0.00 34.13 31.38 1p4j s GLU 646 CO 0.29 -0.13 0.65 -1.71 -0.54 0.00 0.00 175.26 173.82 1p4j n ASN 647 N 0.55 -1.44 -4.70 -1.70 5.15 -1.25 -4.89 115.26 106.97 1p4j n ASN 647 Ca 0.02 -0.88 -0.44 0.00 -0.60 0.00 0.00 54.58 52.68 1p4j n ASN 647 Cb 0.45 -3.67 -0.03 0.00 -0.53 0.00 0.00 39.78 36.00 1p4j n ASN 647 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1p4j n TYR 648 N -4.37 2.54 -3.81 1.20 9.36 -1.26 -4.87 117.16 115.95 1p4j n TYR 648 Ca -0.24 0.19 -0.09 0.00 3.32 0.00 0.00 57.90 61.07 1p4j n TYR 648 Cb 0.65 -2.60 0.03 0.00 -0.63 0.00 0.00 39.34 36.79 1p4j n TYR 648 CO 0.00 0.00 0.00 -0.98 0.22 0.00 0.00 176.86 176.10 1p4j s ARG 649 N 0.68 2.28 0.13 2.98 1.70 -1.26 -4.73 118.95 120.72 1p4j s ARG 649 Ca 0.74 -1.49 -0.20 0.00 -0.47 0.00 0.00 55.73 54.31 1p4j s ARG 649 Cb -0.58 0.63 -0.01 0.00 -0.57 0.00 0.00 34.95 34.42 1p4j s ARG 649 CO 0.38 -1.07 1.69 0.28 -1.08 0.00 0.00 175.30 175.51 1p4j h VAL 650 N 2.00 0.71 0.00 4.99 2.07 -1.97 -0.28 116.25 123.78 1p4j h VAL 650 Ca -0.33 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.18 1p4j h VAL 650 Cb 1.25 0.71 -0.00 0.00 -1.52 0.00 0.00 31.29 31.73 1p4j h VAL 650 CO 0.42 0.00 -0.05 0.77 0.02 0.00 0.00 177.57 178.73 1p4j h SER 651 N -0.06 0.00 0.28 0.57 4.64 -1.97 -1.61 113.55 115.40 1p4j h SER 651 Ca 0.11 0.00 -0.25 0.00 -0.47 0.00 0.00 61.79 61.17 1p4j h SER 651 Cb 0.22 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 62.32 1p4j h SER 651 CO -0.24 0.05 -1.06 0.25 -0.87 0.00 0.00 176.83 174.96 1p4j h LEU 652 N 0.00 0.65 -0.99 5.97 5.85 -1.66 -3.20 115.31 121.92 1p4j h LEU 652 Ca -0.00 -0.56 0.03 0.00 0.84 0.00 0.00 57.88 58.19 1p4j h LEU 652 Cb 0.09 -0.20 -0.05 0.00 0.37 0.00 0.00 40.66 40.87 1p4j h LEU 652 CO 0.01 1.37 0.65 0.00 -0.34 0.00 0.00 178.44 180.13 1p4j h ALA 653 N 0.58 1.29 0.00 1.25 0.00 -0.19 -0.13 119.26 122.06 1p4j h ALA 653 Ca -0.12 -0.06 -0.00 0.00 0.00 0.00 0.00 54.91 54.74 1p4j h ALA 653 Cb 1.72 -0.37 -0.00 0.00 0.00 0.00 0.00 17.79 19.13 1p4j h ALA 653 CO 0.19 0.59 -0.00 0.93 0.00 0.00 0.00 179.25 180.96 1p4j h GLU 654 N 1.29 0.00 0.03 0.00 5.08 -1.33 -1.80 114.58 117.86 1p4j h GLU 654 Ca 0.38 0.00 -0.37 0.00 -1.00 0.00 0.00 59.36 58.37 1p4j h GLU 654 Cb -0.07 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 29.13 1p4j h GLU 654 CO -0.10 0.00 -2.11 1.63 -1.00 0.00 0.00 179.01 177.43 1p4j n LYS 655 N -3.12 0.64 0.10 2.33 5.02 -0.20 -4.50 118.16 118.43 1p4j n LYS 655 Ca -0.02 0.31 -0.16 0.00 -2.02 0.00 0.00 58.31 56.42 1p4j n LYS 655 Cb 0.12 -1.61 -0.11 0.00 -0.02 0.00 0.00 35.03 33.41 1p4j n LYS 655 CO 0.00 0.00 0.00 -0.24 -0.52 0.00 0.00 177.40 176.64 1p4j h VAL 656 N -0.50 1.45 -0.46 -0.18 3.04 -1.09 -3.35 116.25 115.16 1p4j h VAL 656 Ca -0.53 -2.82 -0.01 0.00 -1.01 0.00 0.00 66.70 62.33 1p4j h VAL 656 Cb 1.71 2.78 -0.02 0.00 -2.01 0.00 0.00 31.29 33.75 1p4j h VAL 656 CO -0.17 0.83 0.26 0.40 -1.01 0.00 0.00 177.57 177.88 1p4j h ILE 657 N 0.13 1.16 0.00 3.17 2.04 -1.57 -1.81 117.51 120.64 1p4j h ILE 657 Ca -0.13 -0.41 0.00 0.00 1.00 0.00 0.00 64.86 65.33 1p4j h ILE 657 Cb 1.86 0.59 0.00 0.00 -0.74 0.00 0.00 36.82 38.53 1p4j h ILE 657 CO 0.20 0.17 0.00 -0.65 0.00 0.00 0.00 178.15 177.87 1p4j h PRO 658 N 0.61 0.00 -0.02 2.37 0.11 -1.79 -2.26 132.00 131.02 1p4j h PRO 658 Ca 0.16 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.27 1p4j h PRO 658 Cb 0.04 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.15 1p4j h PRO 658 CO -0.03 0.00 -0.07 0.00 -0.21 0.00 0.00 178.00 177.69 1p4j n ALA 659 N -1.96 2.66 -1.97 -0.75 0.00 -0.71 -4.78 120.51 113.01 1p4j n ALA 659 Ca -0.01 -0.59 -0.34 0.00 0.00 0.00 0.00 53.44 52.50 1p4j n ALA 659 Cb 0.15 -0.94 -0.06 0.00 0.00 0.00 0.00 19.45 18.60 1p4j n ALA 659 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1p4j s ALA 660 N -2.09 3.22 -0.20 0.00 0.00 -0.85 -4.64 121.76 117.19 1p4j s ALA 660 Ca 0.30 0.26 -0.03 0.00 0.00 0.00 0.00 51.96 52.48 1p4j s ALA 660 Cb 0.20 -2.97 -0.11 0.00 0.00 0.00 0.00 23.12 20.24 1p4j s ALA 660 CO 0.36 0.24 -0.20 -0.25 0.00 0.00 0.00 175.76 175.90 1p4j n ASP 661 N -0.17 2.11 -4.15 0.00 8.00 -0.86 -4.18 116.55 117.31 1p4j n ASP 661 Ca 0.04 0.03 -0.31 0.00 0.71 0.00 0.00 54.79 55.26 1p4j n ASP 661 Cb 0.53 -0.41 -0.17 0.00 -0.02 0.00 0.00 41.12 41.05 1p4j n ASP 661 CO 0.00 0.00 0.00 -0.22 -0.39 0.00 0.00 177.20 176.59 1p4j s LEU 662 N -6.49 1.99 -0.26 0.64 2.96 -0.63 -0.24 118.68 116.65 1p4j s LEU 662 Ca -0.27 -0.53 -0.09 0.00 -0.22 0.00 0.00 54.13 53.02 1p4j s LEU 662 Cb 0.08 -1.31 -0.04 0.00 0.50 0.00 0.00 46.19 45.42 1p4j s LEU 662 CO 0.41 0.09 0.14 -0.55 -1.32 0.00 0.00 176.35 175.12 1p4j s SER 663 N 0.67 5.67 -0.40 3.68 0.15 0.08 -1.46 113.70 122.09 1p4j s SER 663 Ca -0.12 -0.07 -0.19 0.00 0.70 0.00 0.00 55.95 56.27 1p4j s SER 663 Cb -0.16 -2.04 0.01 0.00 -1.71 0.00 0.00 66.02 62.12 1p4j s SER 663 CO 0.02 -0.03 0.57 -1.61 1.20 0.00 0.00 173.24 173.40 1p4j s GLU 664 N 1.60 3.40 -0.54 5.44 0.41 -0.85 -1.57 118.70 126.60 1p4j s GLU 664 Ca 0.07 -0.32 0.06 0.00 -0.41 0.00 0.00 54.97 54.36 1p4j s GLU 664 Cb -0.15 -3.89 0.21 0.00 -1.78 0.00 0.00 34.13 28.51 1p4j s GLU 664 CO 0.07 -0.84 0.52 1.04 -0.49 0.00 0.00 175.26 175.57 1p4j n GLN 665 N 5.97 1.30 -1.33 1.61 1.13 -0.82 -4.80 117.38 120.45 1p4j n GLN 665 Ca -0.03 -3.89 -0.18 0.00 -1.94 0.00 0.00 57.00 50.96 1p4j n GLN 665 Cb 0.48 -1.86 0.11 0.00 0.11 0.00 0.00 30.24 29.09 1p4j n GLN 665 CO 0.00 0.00 0.00 0.44 -1.44 0.00 0.00 177.06 176.06 1p4j n ILE 666 N 1.79 2.80 -1.41 5.09 -5.35 -1.26 -2.37 119.36 118.65 1p4j n ILE 666 Ca 0.25 -3.26 -0.33 0.00 -0.27 0.00 0.00 62.75 59.14 1p4j n ILE 666 Cb 0.44 -0.77 0.09 0.00 -1.74 0.00 0.00 39.64 37.66 1p4j n ILE 666 CO 0.00 0.00 0.00 -0.94 -1.76 0.00 0.00 176.55 173.85 1p4j s SER 667 N -2.71 4.31 0.19 7.28 1.04 -1.26 -4.65 113.70 117.90 1p4j s SER 667 Ca 0.51 2.18 -0.30 0.00 0.48 0.00 0.00 55.95 58.82 1p4j s SER 667 Cb 0.43 -2.57 -0.09 0.00 0.10 0.00 0.00 66.02 63.90 1p4j s SER 667 CO 0.01 -2.18 1.36 -0.89 0.98 0.00 0.00 173.24 172.52 1p4j s THR 668 N -2.26 3.09 -0.03 2.02 2.01 -1.16 -4.66 115.64 114.64 1p4j s THR 668 Ca 0.70 0.87 -0.38 0.00 0.31 0.00 0.00 61.69 63.19 1p4j s THR 668 Cb -0.25 -3.56 -0.17 0.00 0.01 0.00 0.00 72.50 68.54 1p4j s THR 668 CO 0.47 0.12 1.40 0.00 -0.69 0.00 0.00 174.62 175.91 1p4j n ALA 669 N 2.89 -1.25 -0.31 7.40 0.00 -1.26 -1.86 120.51 126.11 1p4j n ALA 669 Ca 0.08 0.50 0.00 0.00 0.00 0.00 0.00 53.44 54.02 1p4j n ALA 669 Cb 0.42 -2.05 0.00 0.00 0.00 0.00 0.00 19.45 17.82 1p4j n ALA 669 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1p4j n GLY 670 N 2.78 0.71 0.07 0.00 0.00 -1.26 -4.71 105.19 102.78 1p4j n GLY 670 Ca 0.21 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 46.15 1p4j n GLY 670 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1p4j n THR 671 N -2.09 0.85 -2.98 2.61 -2.24 -0.78 -4.86 114.28 104.80 1p4j n THR 671 Ca 0.00 -0.44 -0.43 0.00 -2.27 0.00 0.00 64.05 60.90 1p4j n THR 671 Cb 0.00 -0.83 -0.05 0.00 -2.10 0.00 0.00 70.33 67.35 1p4j n THR 671 CO 0.00 0.00 0.00 -0.70 -0.57 0.00 0.00 175.07 173.80 1p4j s GLU 672 N -2.30 3.19 0.26 -0.78 2.56 -1.26 -4.74 118.70 115.63 1p4j s GLU 672 Ca -0.12 -0.67 -0.05 0.00 0.00 0.00 0.00 54.97 54.13 1p4j s GLU 672 Cb 0.04 -4.12 0.52 0.00 2.00 0.00 0.00 34.13 32.57 1p4j s GLU 672 CO 0.44 -1.46 1.63 0.00 -0.56 0.00 0.00 175.26 175.31 1p4j h ALA 673 N 9.24 0.91 0.00 6.30 0.00 -1.89 -2.89 119.26 130.92 1p4j h ALA 673 Ca -0.27 0.25 0.00 0.00 0.00 0.00 0.00 54.91 54.89 1p4j h ALA 673 Cb 1.08 0.42 0.00 0.00 0.00 0.00 0.00 17.79 19.29 1p4j h ALA 673 CO 1.06 -0.44 0.00 0.45 0.00 0.00 0.00 179.25 180.32 1p4j n SER 674 N -5.34 -1.37 0.00 0.00 2.88 -1.26 -4.21 113.62 104.32 1p4j n SER 674 Ca 0.16 0.58 0.00 0.00 -1.33 0.00 0.00 58.87 58.27 1p4j n SER 674 Cb 0.54 1.43 0.00 0.00 -0.75 0.00 0.00 64.21 65.43 1p4j n SER 674 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1p4j n GLY 675 N 0.55 -0.67 0.00 0.46 0.00 -1.26 -1.04 105.19 103.23 1p4j n GLY 675 Ca 0.00 -1.47 0.00 0.00 0.00 0.00 0.00 46.02 44.55 1p4j n GLY 675 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1p4j n THR 676 N 0.05 0.00 -0.12 2.61 -2.24 -1.26 -4.73 114.28 108.58 1p4j n THR 676 Ca 0.00 0.00 0.03 0.00 -2.27 0.00 0.00 64.05 61.81 1p4j n THR 676 Cb 0.00 -0.08 0.34 0.00 -2.10 0.00 0.00 70.33 68.49 1p4j n THR 676 CO 0.00 0.00 0.00 1.23 -0.57 0.00 0.00 175.07 175.73 1p4j h GLY 677 N 0.00 0.84 0.62 3.38 0.00 -1.95 -1.50 103.07 104.46 1p4j h GLY 677 Ca 0.00 -0.30 0.09 0.00 0.00 0.00 0.00 47.33 47.12 1p4j h GLY 677 CO 0.00 0.28 0.62 3.45 0.00 0.00 0.00 176.54 180.89 1p4j h ASN 678 N 0.77 0.95 -0.18 0.19 -0.00 -1.94 -1.77 115.58 113.60 1p4j h ASN 678 Ca 0.23 0.03 -0.14 0.00 -0.00 0.00 0.00 56.30 56.42 1p4j h ASN 678 Cb -0.01 -0.17 -0.01 0.00 -0.00 0.00 0.00 38.32 38.13 1p4j h ASN 678 CO -0.06 0.57 -0.37 0.24 -0.00 0.00 0.00 177.43 177.81 1p4j h MET 679 N 1.06 0.71 -0.48 4.14 2.86 -1.59 -2.63 114.93 118.99 1p4j h MET 679 Ca 0.45 -0.35 -0.00 0.00 -2.06 0.00 0.00 59.70 57.73 1p4j h MET 679 Cb 0.30 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 31.94 1p4j h MET 679 CO -0.21 0.96 0.28 0.87 1.06 0.00 0.00 176.91 179.87 1p4j h LYS 680 N 0.58 0.65 -0.66 1.72 1.57 -0.96 -2.13 116.57 117.35 1p4j h LYS 680 Ca 0.05 -0.06 -0.08 0.00 -1.87 0.00 0.00 60.65 58.69 1p4j h LYS 680 Cb 0.90 -0.13 -0.03 0.00 0.08 0.00 0.00 32.23 33.05 1p4j h LYS 680 CO 0.08 0.49 0.09 0.74 -0.57 0.00 0.00 179.45 180.28 1p4j h PHE 681 N 0.63 1.16 -0.71 -1.35 0.04 -1.37 -2.70 116.94 112.63 1p4j h PHE 681 Ca 0.17 -0.16 -0.05 0.00 2.80 0.00 0.00 57.97 60.73 1p4j h PHE 681 Cb 0.01 -0.32 -0.03 0.00 2.20 0.00 0.00 35.95 37.81 1p4j h PHE 681 CO -0.03 0.98 0.26 1.98 -0.60 0.00 0.00 178.31 180.90 1p4j h MET 682 N 1.02 1.07 0.00 1.51 4.05 -1.22 -2.29 114.93 119.06 1p4j h MET 682 Ca 0.20 -0.20 -0.03 0.00 -0.28 0.00 0.00 59.70 59.39 1p4j h MET 682 Cb 0.45 -0.17 -0.00 0.00 -0.80 0.00 0.00 31.60 31.08 1p4j h MET 682 CO 0.01 0.89 -0.15 1.25 0.23 0.00 0.00 176.91 179.15 1p4j h LEU 683 N 1.04 0.00 -3.29 3.39 5.85 -1.27 -3.27 115.31 117.76 1p4j h LEU 683 Ca 0.24 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.96 1p4j h LEU 683 Cb 0.23 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.26 1p4j h LEU 683 CO -0.02 0.15 0.00 0.59 -0.34 0.00 0.00 178.44 178.82 1p4j n ASN 684 N -3.23 4.89 0.00 1.25 3.02 -0.97 -4.92 115.26 115.30 1p4j n ASN 684 Ca 0.01 -2.67 0.00 0.00 -0.03 0.00 0.00 54.58 51.89 1p4j n ASN 684 Cb 0.44 -0.59 0.00 0.00 -0.61 0.00 0.00 39.78 39.02 1p4j n ASN 684 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1p4j n GLY 685 N 0.70 0.84 3.60 7.41 0.00 -1.16 -4.80 105.19 111.79 1p4j n GLY 685 Ca 0.25 -0.61 -0.30 0.00 0.00 0.00 0.00 46.02 45.36 1p4j n GLY 685 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1p4j s ALA 686 N -2.00 3.04 0.33 4.61 0.00 -0.90 -4.77 121.76 122.07 1p4j s ALA 686 Ca 0.00 -1.19 -0.06 0.00 0.00 0.00 0.00 51.96 50.71 1p4j s ALA 686 Cb 0.00 -0.99 -0.05 0.00 0.00 0.00 0.00 23.12 22.08 1p4j s ALA 686 CO 0.00 0.65 0.62 -0.51 0.00 0.00 0.00 175.76 176.53 1p4j s LEU 687 N -2.15 3.97 -0.13 0.00 1.02 0.66 -4.44 118.68 117.61 1p4j s LEU 687 Ca 0.22 0.82 -0.01 0.00 0.02 0.00 0.00 54.13 55.18 1p4j s LEU 687 Cb -0.11 -3.67 -0.02 0.00 0.02 0.00 0.00 46.19 42.41 1p4j s LEU 687 CO 0.14 -0.28 -0.11 -0.89 0.02 0.00 0.00 176.35 175.23 1p4j s THR 688 N -2.21 3.26 -0.22 5.49 2.01 -1.26 -0.74 115.64 121.97 1p4j s THR 688 Ca 0.46 -0.59 -0.04 0.00 0.31 0.00 0.00 61.69 61.83 1p4j s THR 688 Cb -0.10 -2.37 -0.01 0.00 0.01 0.00 0.00 72.50 70.02 1p4j s THR 688 CO 0.32 0.52 -0.05 -0.51 -0.69 0.00 0.00 174.62 174.21 1p4j s ILE 689 N 0.24 3.34 0.15 1.82 2.07 -0.61 -1.27 121.20 126.94 1p4j s ILE 689 Ca -0.07 -0.50 -0.24 0.00 -1.41 0.00 0.00 60.65 58.42 1p4j s ILE 689 Cb -0.15 -2.51 0.08 0.00 0.13 0.00 0.00 42.46 40.00 1p4j s ILE 689 CO 0.05 0.43 1.03 -0.83 -1.91 0.00 0.00 174.94 173.71 1p4j s GLY 690 N 1.43 -0.10 0.54 1.50 0.00 -0.05 -1.94 107.32 108.69 1p4j s GLY 690 Ca 0.05 -0.01 -0.04 0.00 0.00 0.00 0.00 44.72 44.72 1p4j s GLY 690 CO -0.03 1.10 0.83 -0.51 0.00 0.00 0.00 173.10 174.49 1p4j s THR 691 N -2.70 3.90 -1.36 0.90 -4.23 -1.00 -2.43 115.64 108.73 1p4j s THR 691 Ca 0.17 -0.09 -0.15 0.00 -1.18 0.00 0.00 61.69 60.44 1p4j s THR 691 Cb -0.01 -3.51 0.08 0.00 1.34 0.00 0.00 72.50 70.39 1p4j s THR 691 CO 0.03 -0.49 1.94 0.23 -0.54 0.00 0.00 174.62 175.79 1p4j n MET 692 N -2.42 3.12 -4.21 3.99 2.81 -1.26 -4.70 117.12 114.46 1p4j n MET 692 Ca 0.03 -3.08 -0.18 0.00 -1.81 0.00 0.00 57.70 52.67 1p4j n MET 692 Cb 0.57 -3.29 -0.11 0.00 -0.71 0.00 0.00 33.22 29.68 1p4j n MET 692 CO 0.00 0.00 0.00 0.34 1.51 0.00 0.00 175.97 177.82 1p4j s ASP 693 N 3.22 1.81 0.18 7.83 3.68 -1.26 -4.64 116.67 127.48 1p4j s ASP 693 Ca 0.48 -0.74 0.00 0.00 2.13 0.00 0.00 52.55 54.42 1p4j s ASP 693 Cb 0.08 -0.05 0.00 0.00 -1.45 0.00 0.00 42.92 41.50 1p4j s ASP 693 CO -0.01 -0.14 0.00 0.61 0.13 0.00 0.00 175.17 175.76 1p4j n GLY 694 N 0.81 1.95 0.22 2.66 0.00 -1.09 -1.25 105.19 108.49 1p4j n GLY 694 Ca -0.18 -0.18 0.15 0.00 0.00 0.00 0.00 46.02 45.82 1p4j n GLY 694 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1p4j h ALA 695 N -0.13 1.00 -1.00 4.61 0.00 -1.30 -3.12 119.26 119.32 1p4j h ALA 695 Ca 0.00 0.00 0.21 0.00 0.00 0.00 0.00 54.91 55.12 1p4j h ALA 695 Cb 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 17.79 17.68 1p4j h ALA 695 CO 0.00 0.00 0.61 -0.91 0.00 0.00 0.00 179.25 178.95 1p4j h ASN 696 N 0.00 0.73 -0.34 0.00 4.21 -1.38 -0.04 115.58 118.75 1p4j h ASN 696 Ca 0.00 0.11 0.03 0.00 1.21 0.00 0.00 56.30 57.65 1p4j h ASN 696 Cb 0.39 -0.02 -0.03 0.00 -1.12 0.00 0.00 38.32 37.54 1p4j h ASN 696 CO 0.00 0.21 0.14 0.58 -1.29 0.00 0.00 177.43 177.07 1p4j h VAL 697 N 0.68 0.93 -0.01 2.81 2.07 -1.61 -0.65 116.25 120.48 1p4j h VAL 697 Ca 0.60 -0.10 -0.14 0.00 0.82 0.00 0.00 66.70 67.88 1p4j h VAL 697 Cb 1.04 0.61 -0.02 0.00 -1.52 0.00 0.00 31.29 31.40 1p4j h VAL 697 CO -0.41 0.05 -0.64 -0.33 0.02 0.00 0.00 177.57 176.27 1p4j h GLU 698 N 0.30 0.04 -0.19 1.57 5.08 -1.35 -1.84 114.58 118.19 1p4j h GLU 698 Ca 0.15 -0.03 -0.03 0.00 -1.00 0.00 0.00 59.36 58.45 1p4j h GLU 698 Cb 0.10 0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.35 1p4j h GLU 698 CO -0.14 0.66 0.02 0.52 -1.00 0.00 0.00 179.01 179.07 1p4j h MET 699 N 0.03 0.33 -0.82 2.33 2.86 -0.64 -0.30 114.93 118.72 1p4j h MET 699 Ca -0.01 -0.10 -0.03 0.00 -2.06 0.00 0.00 59.70 57.50 1p4j h MET 699 Cb 1.13 -0.03 -0.04 0.00 0.06 0.00 0.00 31.60 32.72 1p4j h MET 699 CO 0.09 0.51 0.38 0.00 1.06 0.00 0.00 176.91 178.94 1p4j h ALA 700 N 0.80 1.12 -0.84 6.32 0.00 -1.08 -1.16 119.26 124.42 1p4j h ALA 700 Ca 0.06 -0.17 -0.04 0.00 0.00 0.00 0.00 54.91 54.76 1p4j h ALA 700 Cb 0.35 -0.32 -0.04 0.00 0.00 0.00 0.00 17.79 17.78 1p4j h ALA 700 CO 0.01 0.66 0.38 1.49 0.00 0.00 0.00 179.25 181.78 1p4j h GLU 701 N 1.17 1.22 -0.15 0.00 4.81 -1.12 0.78 114.58 121.30 1p4j h GLU 701 Ca 0.28 -0.20 -0.14 0.00 -0.13 0.00 0.00 59.36 59.18 1p4j h GLU 701 Cb 0.14 -0.21 0.00 0.00 0.63 0.00 0.00 28.75 29.32 1p4j h GLU 701 CO -0.03 0.96 -0.44 0.93 -0.73 0.00 0.00 179.01 179.69 1p4j h GLU 702 N 1.20 0.57 0.00 1.92 4.39 -0.62 -3.32 114.58 118.72 1p4j h GLU 702 Ca 0.28 -0.41 -0.12 0.00 0.34 0.00 0.00 59.36 59.46 1p4j h GLU 702 Cb 0.16 0.07 -0.02 0.00 -0.10 0.00 0.00 28.75 28.85 1p4j h GLU 702 CO -0.03 1.03 -0.90 0.00 -1.16 0.00 0.00 179.01 177.95 1p4j h ALA 703 N 0.54 0.66 0.00 3.43 0.00 -1.14 -3.47 119.26 119.29 1p4j h ALA 703 Ca -0.01 -0.55 0.00 0.00 0.00 0.00 0.00 54.91 54.34 1p4j h ALA 703 Cb 1.06 0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.93 1p4j h ALA 703 CO 0.10 0.66 0.00 0.41 0.00 0.00 0.00 179.25 180.42 1p4j n GLY 704 N 1.29 2.07 0.35 0.00 0.00 0.27 -4.64 105.19 104.53 1p4j n GLY 704 Ca -0.03 -1.36 0.18 0.00 0.00 0.00 0.00 46.02 44.81 1p4j n GLY 704 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1p4j h GLU 705 N 0.00 0.00 0.00 1.61 5.08 -1.86 0.38 114.58 119.79 1p4j h GLU 705 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1p4j h GLU 705 Cb 0.00 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.25 1p4j h GLU 705 CO 0.00 0.00 0.00 0.39 -1.00 0.00 0.00 179.01 178.40 1p4j n GLU 706 N -3.87 0.20 -0.55 2.33 4.71 -1.26 -2.35 120.64 119.85 1p4j n GLU 706 Ca 0.03 0.40 0.08 0.00 -0.01 0.00 0.00 57.16 57.67 1p4j n GLU 706 Cb 0.40 -1.87 0.30 0.00 -1.01 0.00 0.00 31.44 29.26 1p4j n GLU 706 CO 0.00 0.00 0.00 0.09 0.09 0.00 0.00 177.13 177.31 1p4j n ASN 707 N -2.25 4.36 -4.10 1.62 3.02 0.12 -4.95 115.26 113.09 1p4j n ASN 707 Ca 0.02 -2.77 -0.14 0.00 -0.03 0.00 0.00 54.58 51.67 1p4j n ASN 707 Cb 0.25 -0.54 -0.11 0.00 -0.61 0.00 0.00 39.78 38.76 1p4j n ASN 707 CO 0.00 0.00 0.00 0.12 -2.62 0.00 0.00 177.26 174.76 1p4j s PHE 708 N -2.41 0.81 -0.90 3.10 5.36 -0.99 -4.80 117.98 118.16 1p4j s PHE 708 Ca 0.44 -0.56 -0.07 0.00 -0.96 0.00 0.00 56.93 55.79 1p4j s PHE 708 Cb 0.33 -0.47 0.23 0.00 -0.34 0.00 0.00 43.02 42.76 1p4j s PHE 708 CO 0.14 -0.06 0.81 -0.06 -1.46 0.00 0.00 175.22 174.59 1p4j s PHE 709 N -1.73 3.89 0.03 10.12 0.08 -0.40 -4.95 117.98 125.02 1p4j s PHE 709 Ca -0.05 -2.66 -0.15 0.00 0.12 0.00 0.00 56.93 54.19 1p4j s PHE 709 Cb -0.08 -3.53 -0.06 0.00 -0.57 0.00 0.00 43.02 38.79 1p4j s PHE 709 CO 0.00 -0.87 0.44 0.42 -0.10 0.00 0.00 175.22 175.11 1p4j s ILE 710 N -0.79 4.98 0.31 0.64 -1.09 -1.26 -0.88 121.20 123.12 1p4j s ILE 710 Ca 0.25 0.84 -0.14 0.00 -2.23 0.00 0.00 60.65 59.37 1p4j s ILE 710 Cb -0.11 -3.73 0.02 0.00 -1.58 0.00 0.00 42.46 37.06 1p4j s ILE 710 CO -0.09 0.51 0.63 0.72 -1.23 0.00 0.00 174.94 175.47 1p4j s PHE 711 N -1.16 0.28 0.04 3.97 -0.71 -1.02 -4.95 117.98 114.42 1p4j s PHE 711 Ca 0.27 -0.73 0.00 0.00 -1.04 0.00 0.00 56.93 55.43 1p4j s PHE 711 Cb -0.17 0.45 0.00 0.00 -1.21 0.00 0.00 43.02 42.10 1p4j s PHE 711 CO 0.15 -1.24 0.00 0.41 -1.34 0.00 0.00 175.22 173.20 1p4j n GLY 712 N -0.48 -1.45 3.76 1.99 0.00 -1.26 -4.29 105.19 103.46 1p4j n GLY 712 Ca -0.04 -1.49 -0.37 0.00 0.00 0.00 0.00 46.02 44.12 1p4j n GLY 712 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1p4j s MET 713 N -1.29 3.25 0.55 1.61 -1.94 -1.26 -4.90 119.30 115.32 1p4j s MET 713 Ca 0.00 1.95 0.05 0.00 -1.71 0.00 0.00 55.69 55.98 1p4j s MET 713 Cb 0.00 -2.18 0.06 0.00 2.01 0.00 0.00 34.83 34.72 1p4j s MET 713 CO 0.00 -1.02 0.76 1.03 -0.01 0.00 0.00 175.02 175.79 1p4j s ARG 714 N -3.00 2.41 0.26 2.03 1.81 -1.26 -4.51 118.95 116.68 1p4j s ARG 714 Ca 0.72 -1.17 -0.02 0.00 -1.72 0.00 0.00 55.73 53.54 1p4j s ARG 714 Cb -0.33 -2.57 0.49 0.00 -0.45 0.00 0.00 34.95 32.09 1p4j s ARG 714 CO 0.38 -0.76 1.78 0.28 -0.68 0.00 0.00 175.30 176.31 1p4j h VAL 715 N 0.14 0.80 -0.18 3.52 2.07 -1.84 -0.93 116.25 119.83 1p4j h VAL 715 Ca -0.38 -0.24 -0.04 0.00 0.82 0.00 0.00 66.70 66.87 1p4j h VAL 715 Cb 1.28 0.04 -0.01 0.00 -1.52 0.00 0.00 31.29 31.08 1p4j h VAL 715 CO 0.45 0.13 -0.06 -0.33 0.02 0.00 0.00 177.57 177.78 1p4j h GLU 716 N 0.70 0.27 -0.27 1.57 3.07 -1.96 -2.00 114.58 115.95 1p4j h GLU 716 Ca 0.44 -0.05 -0.17 0.00 -0.50 0.00 0.00 59.36 59.09 1p4j h GLU 716 Cb 0.55 -0.04 -0.00 0.00 -0.84 0.00 0.00 28.75 28.42 1p4j h GLU 716 CO -0.32 0.35 -0.49 -0.44 -1.40 0.00 0.00 179.01 176.71 1p4j h ASP 717 N 0.26 0.82 -0.42 1.42 3.45 -1.56 -2.06 116.42 118.34 1p4j h ASP 717 Ca 0.06 -0.42 -0.03 0.00 0.43 0.00 0.00 57.03 57.07 1p4j h ASP 717 Cb 0.29 -0.23 -0.02 0.00 -0.56 0.00 0.00 39.33 38.80 1p4j h ASP 717 CO 0.01 1.17 0.16 0.58 -1.57 0.00 0.00 179.24 179.59 1p4j h VAL 718 N 0.59 1.21 -0.79 -1.35 2.07 -0.90 -1.60 116.25 115.47 1p4j h VAL 718 Ca 0.03 -0.65 -0.02 0.00 0.82 0.00 0.00 66.70 66.88 1p4j h VAL 718 Cb 1.06 0.84 -0.04 0.00 -1.52 0.00 0.00 31.29 31.64 1p4j h VAL 718 CO 0.10 0.23 0.42 0.44 0.02 0.00 0.00 177.57 178.79 1p4j h ASP 719 N 0.54 1.00 -0.58 0.57 3.32 -1.30 -1.39 116.42 118.58 1p4j h ASP 719 Ca 0.14 -0.11 0.00 0.00 0.02 0.00 0.00 57.03 57.08 1p4j h ASP 719 Cb 0.21 -0.26 -0.03 0.00 0.22 0.00 0.00 39.33 39.48 1p4j h ASP 719 CO -0.01 0.83 0.36 0.03 -1.72 0.00 0.00 179.24 178.73 1p4j h ARG 720 N 1.10 0.77 -0.66 3.56 3.08 -1.12 -0.49 114.38 120.63 1p4j h ARG 720 Ca 0.28 -0.06 -0.04 0.00 0.07 0.00 0.00 59.98 60.22 1p4j h ARG 720 Cb 0.06 -0.17 -0.03 0.00 0.08 0.00 0.00 29.97 29.91 1p4j h ARG 720 CO -0.04 0.54 0.24 -0.07 -1.07 0.00 0.00 179.97 179.57 1p4j h LEU 721 N 0.78 0.91 -0.58 3.04 3.38 -0.87 -2.42 115.31 119.55 1p4j h LEU 721 Ca 0.21 -0.14 -0.12 0.00 0.09 0.00 0.00 57.88 57.92 1p4j h LEU 721 Cb -0.05 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 40.45 1p4j h LEU 721 CO -0.04 0.83 -0.19 0.44 0.09 0.00 0.00 178.44 179.56 1p4j h ASP 722 N 0.96 0.94 -0.89 -0.43 3.32 -0.72 0.15 116.42 119.75 1p4j h ASP 722 Ca 0.22 -0.34 0.00 0.00 0.02 0.00 0.00 57.03 56.93 1p4j h ASP 722 Cb 0.22 -0.26 -0.04 0.00 0.22 0.00 0.00 39.33 39.47 1p4j h ASP 722 CO -0.01 1.11 0.56 1.56 -1.72 0.00 0.00 179.24 180.74 1p4j h GLN 723 N 0.81 1.18 -0.02 3.56 4.20 -0.75 -2.70 115.11 121.39 1p4j h GLN 723 Ca 0.11 -0.09 0.00 0.00 0.06 0.00 0.00 58.65 58.73 1p4j h GLN 723 Cb 0.75 -0.26 0.00 0.00 0.30 0.00 0.00 27.48 28.27 1p4j h GLN 723 CO 0.06 0.80 -0.21 2.89 -0.67 0.00 0.00 178.83 181.70 1p4j n ARG 724 N -4.38 1.55 -0.52 1.46 1.85 -0.94 -5.05 116.66 110.61 1p4j n ARG 724 Ca 0.10 -1.17 0.00 0.00 -1.00 0.00 0.00 57.85 55.78 1p4j n ARG 724 Cb 0.04 -1.48 0.00 0.00 -1.05 0.00 0.00 32.46 29.97 1p4j n ARG 724 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 1p4j n GLY 725 N 1.34 -1.77 3.68 2.89 0.00 0.50 -4.98 105.19 106.85 1p4j n GLY 725 Ca 0.13 -0.81 -0.43 0.00 0.00 0.00 0.00 46.02 44.92 1p4j n GLY 725 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1p4j s TYR 726 N 0.00 3.12 -0.32 1.61 5.04 -1.20 -4.91 117.35 120.69 1p4j s TYR 726 Ca 0.00 1.19 0.02 0.00 -2.44 0.00 0.00 57.07 55.83 1p4j s TYR 726 Cb 0.00 -3.43 0.10 0.00 0.35 0.00 0.00 41.96 38.98 1p4j s TYR 726 CO 0.00 -1.33 0.07 1.21 -1.34 0.00 0.00 175.55 174.17 1p4j s ASN 727 N 1.58 4.39 0.41 4.32 2.47 -1.26 -4.99 114.94 121.86 1p4j s ASN 727 Ca 0.55 -1.89 0.08 0.00 0.42 0.00 0.00 52.86 52.02 1p4j s ASN 727 Cb -0.23 -1.24 0.89 0.00 -1.45 0.00 0.00 41.25 39.22 1p4j s ASN 727 CO 0.19 -0.40 2.04 0.00 -3.72 0.00 0.00 177.10 175.22 1p4j h ALA 728 N 7.86 1.76 -0.99 1.71 0.00 -1.87 -2.61 119.26 125.12 1p4j h ALA 728 Ca -0.09 -0.02 0.19 0.00 0.00 0.00 0.00 54.91 54.99 1p4j h ALA 728 Cb 1.02 -0.15 -0.11 0.00 0.00 0.00 0.00 17.79 18.55 1p4j h ALA 728 CO 0.49 0.20 0.60 0.37 0.00 0.00 0.00 179.25 180.91 1p4j h GLN 729 N 0.53 0.73 -0.28 0.00 5.75 -1.92 -1.78 115.11 118.14 1p4j h GLN 729 Ca 0.18 -0.04 0.06 0.00 -0.15 0.00 0.00 58.65 58.69 1p4j h GLN 729 Cb 0.05 -0.16 -0.06 0.00 1.07 0.00 0.00 27.48 28.38 1p4j h GLN 729 CO -0.04 0.48 -0.09 1.49 -2.65 0.00 0.00 178.83 178.02 1p4j h GLU 730 N 0.75 -0.03 -0.73 1.69 4.81 -1.89 0.10 114.58 119.29 1p4j h GLU 730 Ca 0.58 0.00 -0.06 0.00 -0.13 0.00 0.00 59.36 59.75 1p4j h GLU 730 Cb 0.90 0.01 -0.03 0.00 0.63 0.00 0.00 28.75 30.25 1p4j h GLU 730 CO -0.39 -0.02 0.23 1.88 -0.73 0.00 0.00 179.01 179.99 1p4j h TYR 731 N -0.03 1.16 -0.82 0.92 -1.99 -1.49 -1.81 116.97 112.91 1p4j h TYR 731 Ca 0.14 -0.11 -0.00 0.00 2.00 0.00 0.00 58.73 60.75 1p4j h TYR 731 Cb 0.24 -0.34 -0.04 0.00 2.00 0.00 0.00 36.73 38.59 1p4j h TYR 731 CO -0.29 0.92 0.49 -0.92 -0.00 0.00 0.00 178.16 178.36 1p4j h TYR 732 N 1.07 1.07 0.00 4.88 5.03 -0.85 -0.86 116.97 127.31 1p4j h TYR 732 Ca 0.23 -0.00 -0.10 0.00 2.58 0.00 0.00 58.73 61.44 1p4j h TYR 732 Cb 0.30 -0.35 -0.01 0.00 1.55 0.00 0.00 36.73 38.21 1p4j h TYR 732 CO 0.02 0.72 -0.48 -0.44 -1.32 0.00 0.00 178.16 176.66 1p4j h ASP 733 N 1.12 0.00 0.09 -2.11 3.32 -0.47 -3.31 116.42 115.05 1p4j h ASP 733 Ca 0.29 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.34 1p4j h ASP 733 Cb -0.05 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.50 1p4j h ASP 733 CO -0.06 0.48 -1.07 0.54 -1.72 0.00 0.00 179.24 177.41 1p4j n ARG 734 N -3.68 0.10 -4.01 3.56 1.74 -0.71 -4.82 116.66 108.84 1p4j n ARG 734 Ca -0.01 -0.02 -0.31 0.00 -0.77 0.00 0.00 57.85 56.74 1p4j n ARG 734 Cb 0.55 -1.51 -0.15 0.00 -1.02 0.00 0.00 32.46 30.33 1p4j n ARG 734 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 1p4j s ILE 735 N -3.08 2.33 0.24 0.55 1.01 -0.36 -5.00 121.20 116.89 1p4j s ILE 735 Ca 0.06 -2.31 -0.06 0.00 0.00 0.00 0.00 60.65 58.34 1p4j s ILE 735 Cb 0.16 -2.71 0.20 0.00 0.01 0.00 0.00 42.46 40.12 1p4j s ILE 735 CO 0.85 -0.59 1.72 -0.65 0.00 0.00 0.00 174.94 176.28 1p4j h PRO 736 N 7.64 0.37 -0.54 2.79 0.11 -1.88 -1.15 132.00 139.34 1p4j h PRO 736 Ca -0.05 -0.02 -0.06 0.00 0.11 0.00 0.00 66.00 65.97 1p4j h PRO 736 Cb 1.02 -0.08 -0.02 0.00 0.11 0.00 0.00 31.00 32.02 1p4j h PRO 736 CO 0.53 0.24 0.08 0.93 -0.21 0.00 0.00 178.00 179.57 1p4j h GLU 737 N 0.38 0.86 -0.41 1.05 5.08 -1.96 -1.56 114.58 118.02 1p4j h GLU 737 Ca 0.39 -0.20 -0.10 0.00 -1.00 0.00 0.00 59.36 58.45 1p4j h GLU 737 Cb 0.59 -0.11 -0.01 0.00 0.50 0.00 0.00 28.75 29.71 1p4j h GLU 737 CO -0.41 0.80 -0.13 1.25 -1.00 0.00 0.00 179.01 179.52 1p4j h LEU 738 N 0.81 0.82 -0.50 1.33 5.85 -1.73 -2.72 115.31 119.18 1p4j h LEU 738 Ca 0.17 -0.38 0.02 0.00 0.84 0.00 0.00 57.88 58.53 1p4j h LEU 738 Cb 0.37 -0.23 -0.03 0.00 0.37 0.00 0.00 40.66 41.15 1p4j h LEU 738 CO 0.01 1.01 0.31 -0.09 -0.34 0.00 0.00 178.44 179.34 1p4j h ARG 739 N 0.63 0.61 -0.89 1.25 2.43 -0.94 -2.08 114.38 115.39 1p4j h ARG 739 Ca 0.10 -0.04 0.05 0.00 -0.81 0.00 0.00 59.98 59.29 1p4j h ARG 739 Cb 0.67 -0.14 -0.06 0.00 -0.42 0.00 0.00 29.97 30.02 1p4j h ARG 739 CO 0.05 0.41 0.56 0.37 -1.51 0.00 0.00 179.97 179.85 1p4j h GLN 740 N 0.63 1.02 -0.28 0.20 4.15 -1.18 -1.52 115.11 118.13 1p4j h GLN 740 Ca 0.19 -0.06 -0.03 0.00 0.77 0.00 0.00 58.65 59.52 1p4j h GLN 740 Cb -0.02 -0.23 -0.01 0.00 0.21 0.00 0.00 27.48 27.43 1p4j h GLN 740 CO -0.07 0.67 0.06 0.82 -1.93 0.00 0.00 178.83 178.38 1p4j h ILE 741 N 1.05 1.22 -0.71 2.39 2.04 -1.10 -1.00 117.51 121.40 1p4j h ILE 741 Ca 0.38 -0.74 -0.02 0.00 1.00 0.00 0.00 64.86 65.48 1p4j h ILE 741 Cb 0.11 1.17 -0.03 0.00 -0.74 0.00 0.00 36.82 37.33 1p4j h ILE 741 CO -0.15 0.24 0.39 0.40 0.00 0.00 0.00 178.15 179.02 1p4j h ILE 742 N 0.28 1.22 -0.17 -0.67 1.08 -1.09 -1.42 117.51 116.74 1p4j h ILE 742 Ca 0.09 -0.56 -0.07 0.00 -0.39 0.00 0.00 64.86 63.92 1p4j h ILE 742 Cb 0.30 0.29 -0.01 0.00 -3.07 0.00 0.00 36.82 34.33 1p4j h ILE 742 CO 0.00 0.24 -0.23 -0.33 -0.69 0.00 0.00 178.15 177.15 1p4j h GLU 743 N 0.98 0.30 -0.32 2.37 5.08 -1.14 0.44 114.58 122.30 1p4j h GLU 743 Ca 0.25 -0.10 -0.06 0.00 -1.00 0.00 0.00 59.36 58.45 1p4j h GLU 743 Cb 0.05 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.26 1p4j h GLU 743 CO -0.04 0.52 -0.04 1.96 -1.00 0.00 0.00 179.01 180.40 1p4j h GLN 744 N 0.27 0.59 -0.44 2.33 4.20 -0.54 -0.62 115.11 120.91 1p4j h GLN 744 Ca 0.05 -0.21 -0.02 0.00 0.06 0.00 0.00 58.65 58.52 1p4j h GLN 744 Cb 0.56 -0.04 -0.02 0.00 0.30 0.00 0.00 27.48 28.28 1p4j h GLN 744 CO 0.04 0.75 0.18 -0.07 -0.67 0.00 0.00 178.83 179.06 1p4j h LEU 745 N 0.37 0.61 -0.78 1.46 3.38 -0.92 -1.61 115.31 117.83 1p4j h LEU 745 Ca 0.08 -0.16 -0.09 0.00 0.09 0.00 0.00 57.88 57.80 1p4j h LEU 745 Cb 0.52 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 41.09 1p4j h LEU 745 CO 0.03 0.60 -0.06 0.28 0.09 0.00 0.00 178.44 179.38 1p4j h SER 746 N 0.57 0.85 1.29 -0.43 0.02 -0.82 -3.16 113.55 111.87 1p4j h SER 746 Ca 0.15 -0.24 0.00 0.00 -0.84 0.00 0.00 61.79 60.86 1p4j h SER 746 Cb 0.18 -0.23 0.00 0.00 0.14 0.00 0.00 62.40 62.49 1p4j h SER 746 CO -0.01 0.95 0.00 -1.54 -1.14 0.00 0.00 176.83 175.08 1p4j n SER 747 N -4.18 0.56 0.00 3.07 3.41 -0.25 -4.70 113.62 111.54 1p4j n SER 747 Ca 0.02 0.56 0.00 0.00 -0.26 0.00 0.00 58.87 59.19 1p4j n SER 747 Cb 0.35 -0.71 0.00 0.00 -0.26 0.00 0.00 64.21 63.59 1p4j n SER 747 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1p4j n GLY 748 N 1.29 0.97 0.37 5.00 0.00 -1.07 -4.84 105.19 106.91 1p4j n GLY 748 Ca 0.06 -0.02 0.11 0.00 0.00 0.00 0.00 46.02 46.17 1p4j n GLY 748 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 1p4j h PHE 749 N 0.00 0.84 -0.32 1.61 3.04 -1.55 -0.22 116.94 120.33 1p4j h PHE 749 Ca 0.00 0.02 0.00 0.00 3.98 0.00 0.00 57.97 61.97 1p4j h PHE 749 Cb 0.00 -0.26 0.00 0.00 2.56 0.00 0.00 35.95 38.25 1p4j h PHE 749 CO 0.00 0.32 0.00 1.19 -2.02 0.00 0.00 178.31 177.80 1p4j n PHE 750 N -4.56 0.41 -2.92 0.41 3.72 -1.26 -4.58 117.46 108.68 1p4j n PHE 750 Ca 0.17 -0.21 -0.14 0.00 -0.05 0.00 0.00 57.45 57.23 1p4j n PHE 750 Cb 0.44 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 38.98 1p4j n PHE 750 CO 0.00 0.00 0.00 -1.13 -0.05 0.00 0.00 176.76 175.58 1p4j n SER 751 N 1.31 -1.91 -0.06 4.37 3.41 -0.14 -4.81 113.62 115.80 1p4j n SER 751 Ca 0.18 -3.02 -0.10 0.00 -0.26 0.00 0.00 58.87 55.67 1p4j n SER 751 Cb 0.57 0.94 -0.04 0.00 -0.26 0.00 0.00 64.21 65.42 1p4j n SER 751 CO 0.00 0.00 0.00 -0.65 -0.16 0.00 0.00 175.04 174.23 1p4j h PRO 752 N 4.23 -0.36 0.00 4.33 0.11 -1.68 -1.77 132.00 136.85 1p4j h PRO 752 Ca -0.03 0.02 -0.06 0.00 0.11 0.00 0.00 66.00 66.05 1p4j h PRO 752 Cb 0.99 0.08 -0.01 0.00 0.11 0.00 0.00 31.00 32.17 1p4j h PRO 752 CO 0.33 -0.24 -0.27 0.87 -0.21 0.00 0.00 178.00 178.48 1p4j h LYS 753 N -0.38 0.00 -2.40 1.05 1.57 -1.96 -3.32 116.57 111.13 1p4j h LYS 753 Ca 0.12 0.00 -0.59 0.00 -1.87 0.00 0.00 60.65 58.30 1p4j h LYS 753 Cb 0.58 0.00 -0.41 0.00 0.08 0.00 0.00 32.23 32.48 1p4j h LYS 753 CO -0.46 0.27 -0.77 1.04 -0.57 0.00 0.00 179.45 178.95 1p4j n GLN 754 N -3.87 1.55 -0.35 3.15 6.02 -0.84 -4.98 117.38 118.05 1p4j n GLN 754 Ca -0.02 -4.04 0.27 0.00 -0.01 0.00 0.00 57.00 53.20 1p4j n GLN 754 Cb 0.35 -1.92 0.55 0.00 1.02 0.00 0.00 30.24 30.24 1p4j n GLN 754 CO 0.00 0.00 0.00 -1.35 -1.01 0.00 0.00 177.06 174.70 1p4j h PRO 755 N 4.68 0.29 -0.48 -1.09 0.11 -1.45 -0.94 132.00 133.12 1p4j h PRO 755 Ca 0.17 -0.02 -0.01 0.00 0.11 0.00 0.00 66.00 66.25 1p4j h PRO 755 Cb 0.78 -0.07 -0.00 0.00 0.11 0.00 0.00 31.00 31.82 1p4j h PRO 755 CO 0.64 0.19 0.01 -0.40 -0.21 0.00 0.00 178.00 178.23 1p4j n ASP 756 N -4.63 5.13 -0.34 -2.05 3.85 -1.26 -3.24 116.55 114.01 1p4j n ASP 756 Ca 0.28 -2.98 0.06 0.00 -0.71 0.00 0.00 54.79 51.44 1p4j n ASP 756 Cb 1.03 -0.65 0.22 0.00 -1.35 0.00 0.00 41.12 40.37 1p4j n ASP 756 CO 0.00 0.00 0.00 0.25 -1.01 0.00 0.00 177.20 176.44 1p4j h LEU 757 N 3.26 0.84 -3.84 -2.12 5.85 -1.49 -2.47 115.31 115.33 1p4j h LEU 757 Ca 0.01 0.05 -0.33 0.00 0.84 0.00 0.00 57.88 58.45 1p4j h LEU 757 Cb 1.83 -0.11 -0.19 0.00 0.37 0.00 0.00 40.66 42.55 1p4j h LEU 757 CO 0.42 0.45 0.41 0.49 -0.34 0.00 0.00 178.44 179.87 1p4j n PHE 758 N -4.67 2.71 -0.18 1.25 3.01 -1.26 -4.56 117.46 113.76 1p4j n PHE 758 Ca 0.17 -1.43 -0.01 0.00 1.01 0.00 0.00 57.45 57.19 1p4j n PHE 758 Cb 0.34 -0.79 0.23 0.00 -0.01 0.00 0.00 39.48 39.25 1p4j n PHE 758 CO 0.00 0.00 0.00 1.57 1.01 0.00 0.00 176.76 179.34 1p4j h LYS 759 N 2.13 0.92 -0.38 -1.08 2.10 -1.77 -2.04 116.57 116.45 1p4j h LYS 759 Ca 0.40 -0.10 -0.08 0.00 -2.00 0.00 0.00 60.65 58.87 1p4j h LYS 759 Cb 2.55 -0.18 -0.02 0.00 -0.90 0.00 0.00 32.23 33.68 1p4j h LYS 759 CO 0.88 0.69 -0.10 -0.44 -2.00 0.00 0.00 179.45 178.48 1p4j h ASP 760 N 0.92 0.64 -0.01 7.07 3.32 -1.84 -0.22 116.42 126.30 1p4j h ASP 760 Ca 0.23 -0.17 -0.00 0.00 0.02 0.00 0.00 57.03 57.11 1p4j h ASP 760 Cb 0.05 -0.17 -0.00 0.00 0.22 0.00 0.00 39.33 39.43 1p4j h ASP 760 CO -0.04 0.77 -0.00 0.40 -1.72 0.00 0.00 179.24 178.65 1p4j h ILE 761 N 0.60 1.29 -0.61 0.35 2.04 -1.75 -1.38 117.51 118.04 1p4j h ILE 761 Ca 0.11 -0.85 -0.00 0.00 1.00 0.00 0.00 64.86 65.12 1p4j h ILE 761 Cb 0.52 1.85 -0.03 0.00 -0.74 0.00 0.00 36.82 38.42 1p4j h ILE 761 CO 0.03 0.22 0.38 0.58 0.00 0.00 0.00 178.15 179.37 1p4j h VAL 762 N -0.34 1.17 -0.65 1.67 2.07 -1.29 -0.88 116.25 118.01 1p4j h VAL 762 Ca 0.00 -0.36 0.00 0.00 0.82 0.00 0.00 66.70 67.16 1p4j h VAL 762 Cb 0.36 0.31 -0.03 0.00 -1.52 0.00 0.00 31.29 30.41 1p4j h VAL 762 CO 0.00 0.18 0.41 -1.13 0.02 0.00 0.00 177.57 177.05 1p4j h ASN 763 N 0.83 0.76 -0.05 0.57 -0.00 -1.00 -0.58 115.58 116.11 1p4j h ASN 763 Ca 0.22 -0.04 -0.00 0.00 -0.00 0.00 0.00 56.30 56.48 1p4j h ASN 763 Cb -0.05 -0.19 -0.00 0.00 -0.00 0.00 0.00 38.32 38.08 1p4j h ASN 763 CO -0.04 0.57 0.02 -0.03 -0.00 0.00 0.00 177.43 177.94 1p4j h MET 764 N 0.88 0.08 -0.86 6.67 4.05 -0.90 0.04 114.93 124.88 1p4j h MET 764 Ca 0.23 -0.02 0.06 0.00 -0.28 0.00 0.00 59.70 59.70 1p4j h MET 764 Cb -0.07 -0.01 -0.06 0.00 -0.80 0.00 0.00 31.60 30.66 1p4j h MET 764 CO -0.05 0.26 0.53 -0.07 0.23 0.00 0.00 176.91 177.81 1p4j h LEU 765 N -0.12 0.83 0.07 3.39 4.07 -0.92 -0.35 115.31 122.30 1p4j h LEU 765 Ca 0.02 0.02 -0.25 0.00 0.08 0.00 0.00 57.88 57.74 1p4j h LEU 765 Cb 0.21 -0.16 -0.01 0.00 1.08 0.00 0.00 40.66 41.78 1p4j h LEU 765 CO -0.00 0.53 -1.18 0.24 -1.08 0.00 0.00 178.44 176.95 1p4j h MET 766 N 0.96 0.16 0.00 1.13 2.86 -1.02 -3.42 114.93 115.60 1p4j h MET 766 Ca 0.37 -0.27 -0.01 0.00 -2.06 0.00 0.00 59.70 57.73 1p4j h MET 766 Cb 0.17 0.10 -0.00 0.00 0.06 0.00 0.00 31.60 31.93 1p4j h MET 766 CO -0.17 1.11 -1.04 0.72 1.06 0.00 0.00 176.91 178.58 1p4j n HIS 767 N -3.44 0.00 -3.11 -0.22 8.25 -0.01 -4.43 115.22 112.26 1p4j n HIS 767 Ca -0.06 0.00 -0.17 0.00 -0.26 0.00 0.00 57.72 57.23 1p4j n HIS 767 Cb 0.99 -0.03 -0.01 0.00 1.12 0.00 0.00 29.99 32.06 1p4j n HIS 767 CO 0.00 0.00 0.00 -2.39 0.64 0.00 0.00 176.34 174.59 1p4j n HIS 768 N -1.93 -0.44 -3.28 4.41 -0.00 -0.21 -5.04 115.22 108.74 1p4j n HIS 768 Ca -0.01 -3.48 -0.44 0.00 -0.00 0.00 0.00 57.72 53.79 1p4j n HIS 768 Cb 0.42 -0.04 -0.07 0.00 -0.00 0.00 0.00 29.99 30.30 1p4j n HIS 768 CO 0.00 0.00 0.00 0.34 -0.00 0.00 0.00 176.34 176.68 1p4j s ASP 769 N -2.10 6.18 0.29 4.39 3.68 -0.81 -4.82 116.67 123.49 1p4j s ASP 769 Ca 0.36 -1.19 0.25 0.00 2.13 0.00 0.00 52.55 54.11 1p4j s ASP 769 Cb 0.32 -2.23 1.00 0.00 -1.45 0.00 0.00 42.92 40.56 1p4j s ASP 769 CO -0.08 -0.78 1.75 0.03 0.13 0.00 0.00 175.17 176.22 1p4j h ARG 770 N 8.88 0.00 -0.36 4.34 3.08 -1.97 -3.18 114.38 125.16 1p4j h ARG 770 Ca -0.28 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.77 1p4j h ARG 770 Cb 1.10 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.15 1p4j h ARG 770 CO 0.93 0.00 0.00 1.19 -1.07 0.00 0.00 179.97 181.02 1p4j n PHE 771 N -2.36 0.63 -4.03 3.04 3.72 -1.26 -5.02 117.46 112.18 1p4j n PHE 771 Ca 0.02 -0.58 -0.38 0.00 -0.05 0.00 0.00 57.45 56.46 1p4j n PHE 771 Cb 0.27 -0.09 -0.00 0.00 -0.94 0.00 0.00 39.48 38.71 1p4j n PHE 771 CO 0.00 0.00 0.00 1.63 -0.05 0.00 0.00 176.76 178.34 1p4j n LYS 772 N 0.39 -0.95 -0.11 -1.08 5.02 -1.20 -4.79 118.16 115.44 1p4j n LYS 772 Ca 0.15 0.19 -0.05 0.00 -2.02 0.00 0.00 58.31 56.58 1p4j n LYS 772 Cb 0.55 -3.30 0.03 0.00 -0.02 0.00 0.00 35.03 32.29 1p4j n LYS 772 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 1p4j h VAL 773 N -2.23 0.83 -0.87 -0.18 2.07 -1.93 -2.77 116.25 111.16 1p4j h VAL 773 Ca -0.68 -0.08 0.02 0.00 0.82 0.00 0.00 66.70 66.78 1p4j h VAL 773 Cb 1.39 0.58 -0.05 0.00 -1.52 0.00 0.00 31.29 31.70 1p4j h VAL 773 CO 0.56 0.04 0.57 -0.26 0.02 0.00 0.00 177.57 178.51 1p4j h PHE 774 N 0.23 1.07 -0.21 1.57 0.05 -1.91 -2.79 116.94 114.96 1p4j h PHE 774 Ca 0.18 0.03 0.06 0.00 3.82 0.00 0.00 57.97 62.06 1p4j h PHE 774 Cb 0.20 -0.36 -0.01 0.00 2.00 0.00 0.00 35.95 37.78 1p4j h PHE 774 CO -0.18 0.65 0.18 0.00 -0.18 0.00 0.00 178.31 178.79 1p4j h ALA 775 N 1.47 1.99 -0.16 2.45 0.00 -1.87 -2.02 119.26 121.12 1p4j h ALA 775 Ca 0.33 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.23 1p4j h ALA 775 Cb -0.07 0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.73 1p4j h ALA 775 CO -0.08 -0.29 0.00 -0.25 0.00 0.00 0.00 179.25 178.63 1p4j n ASP 776 N -4.10 2.66 0.21 0.00 8.00 -1.06 -4.71 116.55 117.55 1p4j n ASP 776 Ca 0.02 -1.78 -0.15 0.00 0.71 0.00 0.00 54.79 53.59 1p4j n ASP 776 Cb 0.32 -0.09 -0.08 0.00 -0.02 0.00 0.00 41.12 41.25 1p4j n ASP 776 CO 0.00 0.00 0.00 0.22 -0.39 0.00 0.00 177.20 177.03 1p4j h TYR 777 N 3.22 -0.52 -0.05 1.24 5.03 -1.25 -1.76 116.97 122.88 1p4j h TYR 777 Ca 0.00 -0.01 0.03 0.00 2.58 0.00 0.00 58.73 61.33 1p4j h TYR 777 Cb 0.74 0.18 -0.03 0.00 1.55 0.00 0.00 36.73 39.17 1p4j h TYR 777 CO 0.09 -0.31 -0.11 0.93 -1.32 0.00 0.00 178.16 177.44 1p4j h GLU 778 N -0.51 -0.17 -0.24 1.82 5.08 -1.84 -1.50 114.58 117.22 1p4j h GLU 778 Ca -0.04 0.01 -0.06 0.00 -1.00 0.00 0.00 59.36 58.28 1p4j h GLU 778 Cb 0.42 0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.69 1p4j h GLU 778 CO 0.04 -0.11 -0.10 0.93 -1.00 0.00 0.00 179.01 178.77 1p4j h GLU 779 N -0.17 0.39 0.12 2.33 5.08 -1.88 -2.13 114.58 118.32 1p4j h GLU 779 Ca 0.06 -0.10 -0.01 0.00 -1.00 0.00 0.00 59.36 58.31 1p4j h GLU 779 Cb 0.25 -0.05 0.00 0.00 0.50 0.00 0.00 28.75 29.45 1p4j h GLU 779 CO -0.15 0.51 -0.06 -0.92 -1.00 0.00 0.00 179.01 177.39 1p4j h TYR 780 N 0.37 -0.15 -0.77 4.33 3.20 -0.93 -0.34 116.97 122.69 1p4j h TYR 780 Ca 0.07 -0.00 0.01 0.00 3.14 0.00 0.00 58.73 61.95 1p4j h TYR 780 Cb 0.41 0.05 -0.04 0.00 1.54 0.00 0.00 36.73 38.70 1p4j h TYR 780 CO 0.01 0.05 0.51 0.28 -1.64 0.00 0.00 178.16 177.38 1p4j h VAL 781 N -0.33 1.20 -0.73 1.81 2.07 -1.15 -0.69 116.25 118.42 1p4j h VAL 781 Ca -0.02 -0.36 -0.05 0.00 0.82 0.00 0.00 66.70 67.09 1p4j h VAL 781 Cb 0.27 0.06 -0.03 0.00 -1.52 0.00 0.00 31.29 30.07 1p4j h VAL 781 CO 0.03 0.19 0.26 0.11 0.02 0.00 0.00 177.57 178.17 1p4j h LYS 782 N 1.04 1.11 -0.70 1.57 1.57 -1.30 -2.37 116.57 117.50 1p4j h LYS 782 Ca 0.28 -0.22 -0.07 0.00 -1.87 0.00 0.00 60.65 58.77 1p4j h LYS 782 Cb -0.12 -0.17 -0.03 0.00 0.08 0.00 0.00 32.23 31.99 1p4j h LYS 782 CO -0.06 0.93 0.17 0.00 -0.57 0.00 0.00 179.45 179.92 1p4j h GLN 784 N 1.06 0.09 -0.46 0.00 1.08 -0.83 -1.79 115.11 114.26 1p4j h GLN 784 Ca 0.22 -0.01 -0.14 0.00 -1.45 0.00 0.00 58.65 57.28 1p4j h GLN 784 Cb 0.37 -0.02 -0.01 0.00 -0.05 0.00 0.00 27.48 27.77 1p4j h GLN 784 CO 0.00 0.14 -0.24 0.93 -0.95 0.00 0.00 178.83 178.71 1p4j h GLU 785 N 0.09 0.97 0.00 1.46 5.08 -0.89 -2.22 114.58 119.07 1p4j h GLU 785 Ca 0.02 -0.43 -0.05 0.00 -1.00 0.00 0.00 59.36 57.90 1p4j h GLU 785 Cb 0.14 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.36 1p4j h GLU 785 CO 0.01 1.10 -0.23 0.00 -1.00 0.00 0.00 179.01 178.89 1p4j h ARG 786 N 0.81 0.00 -0.18 2.33 3.08 -1.12 -1.86 114.38 117.45 1p4j h ARG 786 Ca 0.10 0.00 -0.07 0.00 0.07 0.00 0.00 59.98 60.08 1p4j h ARG 786 Cb 0.83 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.87 1p4j h ARG 786 CO 0.07 0.23 -0.15 0.28 -1.07 0.00 0.00 179.97 179.33 1p4j h VAL 787 N 0.00 1.33 -0.15 2.04 2.07 -0.97 -2.69 116.25 117.88 1p4j h VAL 787 Ca -0.00 -1.28 -0.05 0.00 0.82 0.00 0.00 66.70 66.19 1p4j h VAL 787 Cb 0.50 1.78 -0.01 0.00 -1.52 0.00 0.00 31.29 32.04 1p4j h VAL 787 CO 0.03 0.38 -0.12 0.28 0.02 0.00 0.00 177.57 178.16 1p4j h SER 788 N 0.07 0.22 -0.31 0.57 0.02 -1.06 -1.99 113.55 111.08 1p4j h SER 788 Ca 0.03 -0.04 -0.07 0.00 -0.84 0.00 0.00 61.79 60.87 1p4j h SER 788 Cb 0.67 -0.06 -0.01 0.00 0.14 0.00 0.00 62.40 63.14 1p4j h SER 788 CO 0.04 0.37 -0.06 0.00 -1.14 0.00 0.00 176.83 176.03 1p4j h ALA 789 N 1.66 0.42 -0.18 3.77 0.00 -1.25 -2.97 119.26 120.70 1p4j h ALA 789 Ca 0.05 -0.28 -0.12 0.00 0.00 0.00 0.00 54.91 54.56 1p4j h ALA 789 Cb 0.36 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.03 1p4j h ALA 789 CO 0.02 0.24 -0.40 1.25 0.00 0.00 0.00 179.25 180.36 1p4j h LEU 790 N 0.35 0.44 -2.06 0.00 6.46 -1.22 -2.79 115.31 116.49 1p4j h LEU 790 Ca 0.08 -0.19 -0.02 0.00 -0.12 0.00 0.00 57.88 57.63 1p4j h LEU 790 Cb 0.55 -0.12 -0.00 0.00 -0.73 0.00 0.00 40.66 40.35 1p4j h LEU 790 CO 0.03 0.80 -0.09 0.22 -0.62 0.00 0.00 178.44 178.78 1p4j h TYR 791 N 0.35 0.00 0.00 1.25 3.20 -1.27 -0.76 116.97 119.73 1p4j h TYR 791 Ca 0.03 0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.90 1p4j h TYR 791 Cb 0.86 0.00 0.00 0.00 1.54 0.00 0.00 36.73 39.13 1p4j h TYR 791 CO 0.03 0.09 0.00 1.63 -1.64 0.00 0.00 178.16 178.26 1p4j n LYS 792 N -3.65 0.17 -3.70 1.82 5.02 -1.05 -3.85 118.16 112.92 1p4j n LYS 792 Ca -0.02 0.34 -0.31 0.00 -2.02 0.00 0.00 58.31 56.30 1p4j n LYS 792 Cb 0.20 -1.79 -0.09 0.00 -0.02 0.00 0.00 35.03 33.34 1p4j n LYS 792 CO 0.00 0.00 0.00 -1.71 -0.52 0.00 0.00 177.40 175.17 1p4j n ASN 793 N -2.09 3.68 -0.34 4.39 2.85 -0.29 -4.97 115.26 118.48 1p4j n ASN 793 Ca 0.03 -3.24 0.08 0.00 -0.11 0.00 0.00 54.58 51.33 1p4j n ASN 793 Cb 0.26 -0.85 0.16 0.00 1.24 0.00 0.00 39.78 40.59 1p4j n ASN 793 CO 0.00 0.00 0.00 -2.65 -2.11 0.00 0.00 177.26 172.50 1p4j n PRO 794 N 1.82 -0.08 -0.15 1.20 -0.02 -1.25 -1.37 135.00 135.14 1p4j n PRO 794 Ca 0.23 1.48 -0.08 0.00 -2.02 0.00 0.00 63.50 63.11 1p4j n PRO 794 Cb 0.37 -2.23 0.01 0.00 -0.02 0.00 0.00 33.50 31.62 1p4j n PRO 794 CO 0.00 0.00 0.00 -0.09 1.98 0.00 0.00 175.50 177.39 1p4j h ARG 795 N 0.00 0.60 0.00 -0.52 2.43 -1.93 -1.62 114.38 113.33 1p4j h ARG 795 Ca 0.48 -0.04 -0.12 0.00 -0.81 0.00 0.00 59.98 59.50 1p4j h ARG 795 Cb 0.80 -0.13 -0.02 0.00 -0.42 0.00 0.00 29.97 30.20 1p4j h ARG 795 CO -0.97 0.40 -0.56 0.93 -1.51 0.00 0.00 179.97 178.27 1p4j h GLU 796 N 0.61 0.00 -0.17 0.20 4.39 -1.56 -2.27 114.58 115.78 1p4j h GLU 796 Ca 0.16 0.00 -0.02 0.00 0.34 0.00 0.00 59.36 59.84 1p4j h GLU 796 Cb -0.06 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 28.59 1p4j h GLU 796 CO -0.03 0.56 0.01 2.35 -1.16 0.00 0.00 179.01 180.74 1p4j h TRP 797 N 0.00 0.32 -0.39 4.33 2.91 -0.96 -2.53 115.95 119.63 1p4j h TRP 797 Ca -0.01 -0.05 -0.06 0.00 1.13 0.00 0.00 58.89 59.91 1p4j h TRP 797 Cb 1.24 -0.08 -0.02 0.00 -0.51 0.00 0.00 29.16 29.78 1p4j h TRP 797 CO 0.00 0.48 -0.00 1.15 -1.03 0.00 0.00 178.44 179.04 1p4j h THR 798 N 0.06 1.22 -0.49 2.65 2.02 -1.24 -1.85 112.91 115.28 1p4j h THR 798 Ca 0.05 -0.87 -0.09 0.00 0.77 0.00 0.00 66.41 66.27 1p4j h THR 798 Cb 0.34 0.92 -0.02 0.00 -1.74 0.00 0.00 68.15 67.66 1p4j h THR 798 CO 0.01 0.30 -0.05 0.03 0.37 0.00 0.00 175.52 176.17 1p4j h ARG 799 N 0.58 0.85 -0.34 6.66 3.08 -1.30 -0.30 114.38 123.62 1p4j h ARG 799 Ca 0.12 -0.26 -0.12 0.00 0.07 0.00 0.00 59.98 59.79 1p4j h ARG 799 Cb 0.37 -0.08 -0.01 0.00 0.08 0.00 0.00 29.97 30.33 1p4j h ARG 799 CO 0.01 0.88 -0.28 1.98 -1.07 0.00 0.00 179.97 181.50 1p4j h MET 800 N 0.78 0.70 -0.21 0.04 4.05 -1.07 -1.97 114.93 117.24 1p4j h MET 800 Ca 0.14 -0.30 0.01 0.00 -0.28 0.00 0.00 59.70 59.27 1p4j h MET 800 Cb 0.54 -0.02 -0.01 0.00 -0.80 0.00 0.00 31.60 31.31 1p4j h MET 800 CO 0.03 0.90 0.12 0.28 0.23 0.00 0.00 176.91 178.47 1p4j h VAL 801 N 0.60 1.03 -0.87 -5.77 2.07 -0.79 -1.54 116.25 110.97 1p4j h VAL 801 Ca 0.08 -0.09 0.07 0.00 0.82 0.00 0.00 66.70 67.58 1p4j h VAL 801 Cb 0.78 0.75 -0.06 0.00 -1.52 0.00 0.00 31.29 31.24 1p4j h VAL 801 CO 0.06 0.05 0.57 0.40 0.02 0.00 0.00 177.57 178.67 1p4j h ILE 802 N 0.26 1.03 0.00 4.57 2.04 -0.80 0.88 117.51 125.50 1p4j h ILE 802 Ca 0.08 -0.32 -0.05 0.00 1.00 0.00 0.00 64.86 65.56 1p4j h ILE 802 Cb -0.01 0.00 -0.01 0.00 -0.74 0.00 0.00 36.82 36.07 1p4j h ILE 802 CO -0.03 0.17 -0.25 0.03 0.00 0.00 0.00 178.15 178.07 1p4j h ARG 803 N 0.94 0.00 0.08 2.37 3.08 -0.56 -1.21 114.38 119.08 1p4j h ARG 803 Ca 0.38 0.00 -0.00 0.00 0.07 0.00 0.00 59.98 60.43 1p4j h ARG 803 Cb 0.27 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.32 1p4j h ARG 803 CO -0.15 0.25 -0.04 -0.91 -1.07 0.00 0.00 179.97 178.05 1p4j h ASN 804 N 0.00 -0.09 -0.80 7.04 2.35 0.05 -3.16 115.58 120.96 1p4j h ASN 804 Ca -0.00 -0.47 0.10 0.00 -0.55 0.00 0.00 56.30 55.38 1p4j h ASN 804 Cb 0.45 0.02 -0.08 0.00 0.05 0.00 0.00 38.32 38.77 1p4j h ASN 804 CO 0.03 0.58 0.44 0.40 -1.65 0.00 0.00 177.43 177.23 1p4j h ILE 805 N -0.92 0.86 0.00 2.81 2.04 -1.12 -1.49 117.51 119.69 1p4j h ILE 805 Ca -0.01 -0.25 -0.02 0.00 1.00 0.00 0.00 64.86 65.58 1p4j h ILE 805 Cb 0.55 0.08 -0.00 0.00 -0.74 0.00 0.00 36.82 36.71 1p4j h ILE 805 CO 0.02 0.13 -0.10 0.00 0.00 0.00 0.00 178.15 178.19 1p4j h ALA 806 N 1.47 1.48 -0.29 1.87 0.00 -1.33 -2.82 119.26 119.64 1p4j h ALA 806 Ca 0.40 -0.09 -0.00 0.00 0.00 0.00 0.00 54.91 55.21 1p4j h ALA 806 Cb 0.42 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.19 1p4j h ALA 806 CO -0.27 0.13 0.00 0.25 0.00 0.00 0.00 179.25 179.36 1p4j n THR 807 N -3.91 2.34 1.32 0.00 -2.24 -0.60 -2.35 114.28 108.84 1p4j n THR 807 Ca -0.02 -1.84 0.13 0.00 -2.27 0.00 0.00 64.05 60.05 1p4j n THR 807 Cb 0.20 -0.26 0.45 0.00 -2.10 0.00 0.00 70.33 68.61 1p4j n THR 807 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 1p4j n SER 808 N -0.41 1.00 -0.30 3.42 3.41 -0.97 -4.42 113.62 115.34 1p4j n SER 808 Ca 0.22 -0.94 0.13 0.00 -0.26 0.00 0.00 58.87 58.02 1p4j n SER 808 Cb 0.92 0.08 0.31 0.00 -0.26 0.00 0.00 64.21 65.26 1p4j n SER 808 CO 0.00 0.00 0.00 1.23 -0.16 0.00 0.00 175.04 176.11 1p4j h GLY 809 N 4.92 1.52 1.57 5.00 0.00 -1.79 -1.04 103.07 113.25 1p4j h GLY 809 Ca 0.00 -0.15 0.04 0.00 0.00 0.00 0.00 47.33 47.22 1p4j h GLY 809 CO 0.00 -0.28 0.17 1.70 0.00 0.00 0.00 176.54 178.13 1p4j h LYS 810 N 0.37 0.00 -0.79 4.80 3.64 -1.88 -2.64 116.57 120.07 1p4j h LYS 810 Ca 0.56 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.94 1p4j h LYS 810 Cb 1.08 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.90 1p4j h LYS 810 CO -0.54 0.00 0.00 1.19 -2.27 0.00 0.00 179.45 177.83 1p4j n PHE 811 N -3.72 0.91 -2.84 1.91 3.01 -0.39 -4.77 117.46 111.57 1p4j n PHE 811 Ca 0.01 -0.32 -0.40 0.00 1.01 0.00 0.00 57.45 57.75 1p4j n PHE 811 Cb 0.28 -0.27 -0.05 0.00 -0.01 0.00 0.00 39.48 39.43 1p4j n PHE 811 CO 0.00 0.00 0.00 0.45 1.01 0.00 0.00 176.76 178.22 1p4j s SER 812 N -0.38 7.43 0.00 4.37 0.15 -0.99 -0.83 113.70 123.44 1p4j s SER 812 Ca 0.24 1.70 0.09 0.00 0.70 0.00 0.00 55.95 58.68 1p4j s SER 812 Cb 0.18 -2.55 0.37 0.00 -1.71 0.00 0.00 66.02 62.32 1p4j s SER 812 CO 0.07 0.03 1.27 -1.54 1.20 0.00 0.00 173.24 174.27 1p4j n SER 813 N 2.44 0.00 -0.10 5.45 3.41 -0.39 -1.39 113.62 123.03 1p4j n SER 813 Ca -0.01 0.48 -0.12 0.00 -0.26 0.00 0.00 58.87 58.96 1p4j n SER 813 Cb 0.49 -0.49 -0.00 0.00 -0.26 0.00 0.00 64.21 63.95 1p4j n SER 813 CO 0.00 0.00 0.00 0.44 -0.16 0.00 0.00 175.04 175.32 1p4j h ASP 814 N 0.00 0.94 -0.30 4.04 3.32 -1.91 -0.08 116.42 122.43 1p4j h ASP 814 Ca 0.00 -0.43 -0.05 0.00 0.02 0.00 0.00 57.03 56.57 1p4j h ASP 814 Cb 0.15 -0.27 -0.01 0.00 0.22 0.00 0.00 39.33 39.42 1p4j h ASP 814 CO 0.00 1.21 -0.01 -0.09 -1.72 0.00 0.00 179.24 178.63 1p4j h ARG 815 N 0.72 0.54 0.06 3.56 1.12 -1.55 -1.42 114.38 117.41 1p4j h ARG 815 Ca 0.06 -0.18 0.02 0.00 -1.11 0.00 0.00 59.98 58.77 1p4j h ARG 815 Cb 0.97 -0.05 -0.02 0.00 -0.01 0.00 0.00 29.97 30.86 1p4j h ARG 815 CO 0.09 0.69 -0.15 1.15 -3.11 0.00 0.00 179.97 178.64 1p4j h THR 816 N 0.33 0.65 -0.57 0.20 2.02 -1.40 -2.08 112.91 112.05 1p4j h THR 816 Ca 0.08 0.00 -0.04 0.00 0.77 0.00 0.00 66.41 67.22 1p4j h THR 816 Cb 0.46 0.65 -0.03 0.00 -1.74 0.00 0.00 68.15 67.49 1p4j h THR 816 CO 0.02 0.00 0.18 0.40 0.37 0.00 0.00 175.52 176.49 1p4j h ILE 817 N -0.28 1.22 -0.51 3.11 1.08 -0.98 -1.76 117.51 119.38 1p4j h ILE 817 Ca 0.03 -0.75 -0.02 0.00 -0.39 0.00 0.00 64.86 63.73 1p4j h ILE 817 Cb 0.31 0.59 -0.03 0.00 -3.07 0.00 0.00 36.82 34.63 1p4j h ILE 817 CO -0.10 0.29 0.23 0.00 -0.69 0.00 0.00 178.15 177.88 1p4j h ALA 818 N 1.37 1.45 -0.22 1.87 0.00 -0.97 0.08 119.26 122.85 1p4j h ALA 818 Ca 0.19 -0.12 -0.18 0.00 0.00 0.00 0.00 54.91 54.80 1p4j h ALA 818 Cb 0.24 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 17.82 1p4j h ALA 818 CO -0.01 0.43 -0.58 1.96 0.00 0.00 0.00 179.25 181.06 1p4j h GLN 819 N 0.72 0.77 -0.55 0.00 4.20 -0.67 -1.99 115.11 117.60 1p4j h GLN 819 Ca 0.18 -0.54 0.01 0.00 0.06 0.00 0.00 58.65 58.35 1p4j h GLN 819 Cb 0.10 0.09 -0.03 0.00 0.30 0.00 0.00 27.48 27.94 1p4j h GLN 819 CO -0.02 1.17 0.36 1.88 -0.67 0.00 0.00 178.83 181.55 1p4j h TYR 820 N 0.51 0.69 -0.10 2.96 0.05 -0.99 0.44 116.97 120.53 1p4j h TYR 820 Ca -0.01 0.02 0.01 0.00 0.05 0.00 0.00 58.73 58.79 1p4j h TYR 820 Cb 1.20 -0.23 -0.01 0.00 1.01 0.00 0.00 36.73 38.69 1p4j h TYR 820 CO 0.08 0.44 0.03 0.00 -1.05 0.00 0.00 178.16 177.66 1p4j h ALA 821 N 1.20 0.10 0.12 3.88 0.00 -0.91 0.31 119.26 123.96 1p4j h ALA 821 Ca 0.20 0.01 -0.24 0.00 0.00 0.00 0.00 54.91 54.88 1p4j h ALA 821 Cb -0.08 0.01 0.03 0.00 0.00 0.00 0.00 17.79 17.74 1p4j h ALA 821 CO -0.04 -0.43 -1.02 0.00 0.00 0.00 0.00 179.25 177.75 1p4j h ARG 822 N 0.08 0.48 0.00 0.00 3.08 -1.25 0.27 114.38 117.04 1p4j h ARG 822 Ca 0.04 -0.68 0.00 0.00 0.07 0.00 0.00 59.98 59.42 1p4j h ARG 822 Cb 0.03 0.23 0.00 0.00 0.08 0.00 0.00 29.97 30.31 1p4j h ARG 822 CO -0.05 1.30 -0.78 0.39 -1.07 0.00 0.00 179.97 179.76 1p4j n GLU 823 N -3.97 0.27 0.01 0.04 1.02 0.13 -4.28 120.64 113.86 1p4j n GLU 823 Ca -0.14 0.04 0.00 0.00 -0.02 0.00 0.00 57.16 57.05 1p4j n GLU 823 Cb 0.89 -1.64 0.00 0.00 -0.02 0.00 0.00 31.44 30.67 1p4j n GLU 823 CO 0.00 0.00 0.00 -0.89 1.18 0.00 0.00 177.13 177.42 1p4j n ILE 824 N -2.01 0.10 0.28 -3.67 5.41 -0.06 -4.87 119.36 114.54 1p4j n ILE 824 Ca 0.03 0.03 0.12 0.00 1.00 0.00 0.00 62.75 63.93 1p4j n ILE 824 Cb 0.43 -1.26 0.18 0.00 -0.71 0.00 0.00 39.64 38.28 1p4j n ILE 824 CO 0.00 0.00 0.00 -0.50 0.00 0.00 0.00 176.55 176.05 1p4j h TRP 825 N 0.00 0.00 -2.54 1.39 6.55 -1.12 -3.48 115.95 116.74 1p4j h TRP 825 Ca 0.00 0.00 -0.17 0.00 0.95 0.00 0.00 58.89 59.67 1p4j h TRP 825 Cb 0.67 0.00 0.04 0.00 -0.86 0.00 0.00 29.16 29.01 1p4j h TRP 825 CO 0.00 0.00 -0.27 0.41 -1.05 0.00 0.00 178.44 177.53 1p4j n GLY 826 N 1.15 0.25 3.11 1.49 0.00 -0.08 -4.96 105.19 106.16 1p4j n GLY 826 Ca 0.04 -0.35 -0.15 0.00 0.00 0.00 0.00 46.02 45.56 1p4j n GLY 826 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1p4j s VAL 827 N -2.95 0.77 -0.16 1.61 -7.23 -0.26 -5.02 120.40 107.16 1p4j s VAL 827 Ca 0.18 -1.25 -0.12 0.00 -1.81 0.00 0.00 61.98 58.98 1p4j s VAL 827 Cb -0.08 -0.88 -0.05 0.00 0.56 0.00 0.00 36.38 35.94 1p4j s VAL 827 CO 0.22 -0.37 0.23 -1.61 -0.31 0.00 0.00 175.10 173.26 1p4j s GLU 828 N -1.85 4.11 0.70 4.82 0.41 -1.26 -3.45 118.70 122.18 1p4j s GLU 828 Ca -0.05 -0.01 -0.12 0.00 -0.41 0.00 0.00 54.97 54.39 1p4j s GLU 828 Cb -0.09 -3.38 0.02 0.00 -1.78 0.00 0.00 34.13 28.90 1p4j s GLU 828 CO 0.01 0.35 1.07 -1.25 -0.49 0.00 0.00 175.26 174.95 1p4j s PRO 829 N 0.15 2.77 -0.03 0.39 0.04 -1.26 -4.94 135.00 132.12 1p4j s PRO 829 Ca 0.14 1.08 -0.03 0.00 0.04 0.00 0.00 61.00 62.24 1p4j s PRO 829 Cb -0.12 -1.96 0.01 0.00 0.04 0.00 0.00 34.50 32.46 1p4j s PRO 829 CO 0.03 -1.24 0.07 0.45 0.04 0.00 0.00 177.00 176.35 1p4j s SER 830 N -3.47 -0.08 -0.23 6.66 0.15 0.14 -5.02 113.70 111.85 1p4j s SER 830 Ca 0.60 0.15 0.14 0.00 0.70 0.00 0.00 55.95 57.54 1p4j s SER 830 Cb -0.16 0.15 0.57 0.00 -1.71 0.00 0.00 66.02 64.87 1p4j s SER 830 CO 0.52 -0.03 1.51 0.54 1.20 0.00 0.00 173.24 176.98 1p4j n ARG 831 N 3.08 2.89 -2.88 5.44 5.12 -1.26 -2.97 116.66 126.07 1p4j n ARG 831 Ca -0.13 -2.97 -0.41 0.00 -1.93 0.00 0.00 57.85 52.42 1p4j n ARG 831 Cb 0.59 -1.92 -0.04 0.00 -1.16 0.00 0.00 32.46 29.94 1p4j n ARG 831 CO 0.00 0.00 0.00 -0.65 -1.93 0.00 0.00 177.63 175.05 1p4j s GLN 832 N -2.95 4.51 0.29 5.56 -0.21 -1.26 -5.03 119.66 120.57 1p4j s GLN 832 Ca 0.45 1.15 -0.29 0.00 0.02 0.00 0.00 55.36 56.70 1p4j s GLN 832 Cb 0.37 -3.44 -0.10 0.00 1.00 0.00 0.00 33.01 30.85 1p4j s GLN 832 CO 0.08 0.06 1.11 1.03 -2.12 0.00 0.00 175.29 175.45 1p4j s ARG 833 N 0.73 4.58 0.38 2.91 0.52 -1.26 -4.97 118.95 121.83 1p4j s ARG 833 Ca 0.44 1.82 -0.05 0.00 -0.52 0.00 0.00 55.73 57.42 1p4j s ARG 833 Cb -0.20 -3.13 -0.05 0.00 0.52 0.00 0.00 34.95 32.09 1p4j s ARG 833 CO 0.23 0.15 0.66 -0.51 0.02 0.00 0.00 175.30 175.86 1p4j s LEU 834 N -1.56 3.88 0.84 2.53 1.43 -0.07 -5.02 118.68 120.71 1p4j s LEU 834 Ca 0.46 0.82 -0.14 0.00 -1.03 0.00 0.00 54.13 54.23 1p4j s LEU 834 Cb -0.32 -3.69 0.01 0.00 0.03 0.00 0.00 46.19 42.22 1p4j s LEU 834 CO 0.41 -0.36 0.55 -2.65 0.23 0.00 0.00 176.35 174.53 1p4j n PRO 835 N -1.52 0.01 0.00 1.29 -0.02 -1.26 -4.63 135.00 128.87 1p4j n PRO 835 Ca -0.01 0.06 0.06 0.00 -2.02 0.00 0.00 63.50 61.59 1p4j n PRO 835 Cb 0.55 -1.92 0.39 0.00 -0.02 0.00 0.00 33.50 32.50 1p4j n PRO 835 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48