#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2gj4 s ILE 13 N 0.00 5.17 0.45 -0.39 -4.36 -1.26 -4.97 121.20 115.84 2gj4 s ILE 13 Ca 0.00 0.61 0.12 0.00 -0.26 0.00 0.00 60.65 61.12 2gj4 s ILE 13 Cb 0.00 -3.71 0.23 0.00 1.25 0.00 0.00 42.46 40.23 2gj4 s ILE 13 CO 0.00 0.17 2.05 0.77 0.24 0.00 0.00 174.94 178.16 2gj4 h SER 14 N 8.04 0.18 0.38 4.36 4.64 -1.97 -2.30 113.55 126.88 2gj4 h SER 14 Ca -0.32 -0.02 0.00 0.00 -0.47 0.00 0.00 61.79 60.98 2gj4 h SER 14 Cb 1.16 -0.05 0.00 0.00 -0.31 0.00 0.00 62.40 63.20 2gj4 h SER 14 CO 0.66 0.21 0.00 -0.37 -0.87 0.00 0.00 176.83 176.46 2gj4 h VAL 15 N 0.21 0.00 -0.01 0.95 -1.51 -1.94 -2.04 116.25 111.91 2gj4 h VAL 15 Ca 0.05 -0.18 0.00 0.00 -1.23 0.00 0.00 66.70 65.35 2gj4 h VAL 15 Cb 0.12 1.08 0.00 0.00 -2.13 0.00 0.00 31.29 30.36 2gj4 h VAL 15 CO 0.00 0.00 -0.01 0.54 -1.23 0.00 0.00 177.57 176.87 2gj4 n ARG 16 N -2.89 1.27 0.00 5.19 1.74 -0.86 -5.04 116.66 116.07 2gj4 n ARG 16 Ca -0.01 -0.45 0.00 0.00 -0.77 0.00 0.00 57.85 56.62 2gj4 n ARG 16 Cb 0.15 -1.49 0.00 0.00 -1.02 0.00 0.00 32.46 30.10 2gj4 n ARG 16 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2gj4 n GLY 17 N 1.10 -1.88 3.86 -0.13 0.00 -0.77 -1.53 105.19 105.84 2gj4 n GLY 17 Ca 0.21 -2.00 -0.37 0.00 0.00 0.00 0.00 46.02 43.86 2gj4 n GLY 17 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2gj4 s LEU 18 N 0.00 4.43 -0.94 0.99 1.02 -1.26 -4.73 118.68 118.19 2gj4 s LEU 18 Ca 0.00 0.68 -0.02 0.00 0.02 0.00 0.00 54.13 54.81 2gj4 s LEU 18 Cb 0.00 -2.30 0.26 0.00 0.02 0.00 0.00 46.19 44.17 2gj4 s LEU 18 CO 0.00 0.37 1.05 0.00 0.02 0.00 0.00 176.35 177.80 2gj4 n ALA 19 N 1.89 4.37 -1.76 4.21 0.00 -1.26 -3.96 120.51 124.00 2gj4 n ALA 19 Ca -0.17 -4.71 -0.36 0.00 0.00 0.00 0.00 53.44 48.19 2gj4 n ALA 19 Cb 0.54 -1.86 0.02 0.00 0.00 0.00 0.00 19.45 18.15 2gj4 n ALA 19 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 2gj4 s GLY 20 N -0.95 2.73 0.13 0.00 0.00 -1.26 -4.87 107.32 103.10 2gj4 s GLY 20 Ca 0.32 0.97 -0.14 0.00 0.00 0.00 0.00 44.72 45.87 2gj4 s GLY 20 CO -0.02 1.37 1.57 -0.39 0.00 0.00 0.00 173.10 175.63 2gj4 h VAL 21 N 1.13 1.26 -0.35 1.40 -1.51 -1.99 -0.81 116.25 115.38 2gj4 h VAL 21 Ca -0.50 -1.04 -0.14 0.00 -1.23 0.00 0.00 66.70 63.78 2gj4 h VAL 21 Cb 1.28 1.11 -0.01 0.00 -2.13 0.00 0.00 31.29 31.54 2gj4 h VAL 21 CO 0.56 0.36 -0.36 -0.33 -1.23 0.00 0.00 177.57 176.57 2gj4 h GLU 22 N 0.58 0.81 -0.22 5.19 4.39 -1.99 -2.26 114.58 121.08 2gj4 h GLU 22 Ca 0.12 -0.40 -0.02 0.00 0.34 0.00 0.00 59.36 59.39 2gj4 h GLU 22 Cb 0.50 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.14 2gj4 h GLU 22 CO 0.02 1.04 0.06 -0.97 -1.16 0.00 0.00 179.01 178.00 2gj4 h ASN 23 N 0.67 0.34 -0.49 1.42 -1.24 -1.91 -1.31 115.58 113.06 2gj4 h ASN 23 Ca 0.06 -0.22 -0.00 0.00 0.71 0.00 0.00 56.30 56.85 2gj4 h ASN 23 Cb 0.92 -0.09 -0.02 0.00 0.73 0.00 0.00 38.32 39.85 2gj4 h ASN 23 CO 0.08 0.47 0.29 0.58 -1.29 0.00 0.00 177.43 177.57 2gj4 h VAL 24 N 0.18 1.15 -0.69 2.57 2.07 -1.14 -0.29 116.25 120.11 2gj4 h VAL 24 Ca 0.07 -0.35 0.05 0.00 0.82 0.00 0.00 66.70 67.29 2gj4 h VAL 24 Cb 0.26 0.50 -0.05 0.00 -1.52 0.00 0.00 31.29 30.48 2gj4 h VAL 24 CO -0.00 0.16 0.40 0.74 0.02 0.00 0.00 177.57 178.89 2gj4 h THR 25 N 0.66 1.02 -0.36 2.57 2.02 -1.29 -2.10 112.91 115.43 2gj4 h THR 25 Ca 0.18 -0.26 -0.16 0.00 0.77 0.00 0.00 66.41 66.94 2gj4 h THR 25 Cb -0.00 0.19 -0.01 0.00 -1.74 0.00 0.00 68.15 66.59 2gj4 h THR 25 CO -0.03 0.14 -0.40 -0.08 0.37 0.00 0.00 175.52 175.52 2gj4 h GLU 26 N 0.76 0.88 -0.73 6.66 4.81 -0.85 -2.32 114.58 123.80 2gj4 h GLU 26 Ca 0.29 -0.46 -0.03 0.00 -0.13 0.00 0.00 59.36 59.04 2gj4 h GLU 26 Cb 0.12 0.02 -0.03 0.00 0.63 0.00 0.00 28.75 29.49 2gj4 h GLU 26 CO -0.15 1.11 0.35 -0.07 -0.73 0.00 0.00 179.01 179.52 2gj4 h LEU 27 N 0.71 0.95 -0.67 1.64 3.38 -0.82 -0.81 115.31 119.69 2gj4 h LEU 27 Ca 0.06 -0.13 -0.02 0.00 0.09 0.00 0.00 57.88 57.88 2gj4 h LEU 27 Cb 0.98 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 41.45 2gj4 h LEU 27 CO 0.09 0.82 0.35 0.11 0.09 0.00 0.00 178.44 179.90 2gj4 h LYS 28 N 1.02 0.95 -0.22 1.13 1.57 -1.31 -0.09 116.57 119.62 2gj4 h LYS 28 Ca 0.25 -0.12 0.01 0.00 -1.87 0.00 0.00 60.65 58.92 2gj4 h LYS 28 Cb 0.12 -0.18 -0.02 0.00 0.08 0.00 0.00 32.23 32.23 2gj4 h LYS 28 CO -0.03 0.73 0.12 -0.22 -0.57 0.00 0.00 179.45 179.49 2gj4 h LYS 29 N 0.93 0.25 -0.00 3.15 3.64 -1.05 -2.09 116.57 121.39 2gj4 h LYS 29 Ca 0.23 -0.02 -0.20 0.00 -1.27 0.00 0.00 60.65 59.40 2gj4 h LYS 29 Cb 0.07 -0.06 -0.01 0.00 -0.41 0.00 0.00 32.23 31.83 2gj4 h LYS 29 CO -0.03 0.17 -0.86 -0.91 -2.27 0.00 0.00 179.45 175.54 2gj4 h ASN 30 N 0.26 0.31 -0.13 4.20 2.35 -1.02 -1.60 115.58 119.95 2gj4 h ASN 30 Ca 0.09 -0.24 0.04 0.00 -0.55 0.00 0.00 56.30 55.63 2gj4 h ASN 30 Cb 0.00 -0.09 -0.04 0.00 0.05 0.00 0.00 38.32 38.24 2gj4 h ASN 30 CO -0.05 1.03 -0.10 0.15 -1.65 0.00 0.00 177.43 176.82 2gj4 h PHE 31 N 0.14 -0.25 -0.45 1.19 3.04 -0.94 -0.98 116.94 118.68 2gj4 h PHE 31 Ca -0.05 0.02 -0.07 0.00 3.98 0.00 0.00 57.97 61.85 2gj4 h PHE 31 Cb 1.48 0.13 -0.02 0.00 2.56 0.00 0.00 35.95 40.11 2gj4 h PHE 31 CO 0.03 -0.16 0.00 -0.91 -2.02 0.00 0.00 178.31 175.26 2gj4 h ASN 32 N -0.12 0.70 -0.30 0.41 2.35 -1.30 -0.90 115.58 116.42 2gj4 h ASN 32 Ca 0.08 -0.16 -0.00 0.00 -0.55 0.00 0.00 56.30 55.67 2gj4 h ASN 32 Cb 0.24 -0.18 -0.01 0.00 0.05 0.00 0.00 38.32 38.41 2gj4 h ASN 32 CO -0.20 0.77 0.17 -0.09 -1.65 0.00 0.00 177.43 176.43 2gj4 h ARG 33 N 0.69 0.41 -0.45 0.81 2.43 -1.07 -2.35 114.38 114.86 2gj4 h ARG 33 Ca 0.14 -0.04 -0.12 0.00 -0.81 0.00 0.00 59.98 59.15 2gj4 h ARG 33 Cb 0.42 -0.08 -0.02 0.00 -0.42 0.00 0.00 29.97 29.88 2gj4 h ARG 33 CO 0.02 0.34 -0.19 0.45 -1.51 0.00 0.00 179.97 179.08 2gj4 h HIS 34 N 0.37 0.99 -0.84 2.20 3.86 -0.87 0.13 115.15 120.99 2gj4 h HIS 34 Ca 0.11 -0.22 0.08 0.00 -1.16 0.00 0.00 60.37 59.18 2gj4 h HIS 34 Cb 0.05 -0.24 -0.07 0.00 1.06 0.00 0.00 27.41 28.21 2gj4 h HIS 34 CO -0.03 0.98 0.50 1.25 0.86 0.00 0.00 177.93 181.48 2gj4 h LEU 35 N 0.77 0.74 0.08 2.43 5.85 -1.06 -0.27 115.31 123.84 2gj4 h LEU 35 Ca 0.11 0.04 -0.00 0.00 0.84 0.00 0.00 57.88 58.86 2gj4 h LEU 35 Cb 0.72 -0.11 0.00 0.00 0.37 0.00 0.00 40.66 41.64 2gj4 h LEU 35 CO 0.06 0.44 -0.04 -0.74 -0.34 0.00 0.00 178.44 177.82 2gj4 h HIS 36 N 0.86 -0.10 -0.01 1.25 2.76 -1.20 -1.45 115.15 117.27 2gj4 h HIS 36 Ca 0.39 -0.00 -0.19 0.00 -2.20 0.00 0.00 60.37 58.37 2gj4 h HIS 36 Cb 0.29 0.03 -0.01 0.00 1.55 0.00 0.00 27.41 29.27 2gj4 h HIS 36 CO -0.05 -0.06 -0.83 0.74 -1.30 0.00 0.00 177.93 176.43 2gj4 h PHE 37 N -0.29 0.26 0.07 5.26 0.04 -1.02 -1.12 116.94 120.15 2gj4 h PHE 37 Ca -0.01 -0.14 -0.37 0.00 2.80 0.00 0.00 57.97 60.25 2gj4 h PHE 37 Cb 0.08 -0.03 -0.04 0.00 2.20 0.00 0.00 35.95 38.16 2gj4 h PHE 37 CO 0.05 0.93 -2.18 2.41 -0.60 0.00 0.00 178.31 178.92 2gj4 n THR 38 N -3.68 1.65 0.88 -1.55 -1.04 -0.22 -4.46 114.28 105.85 2gj4 n THR 38 Ca -0.03 -0.64 0.09 0.00 -2.04 0.00 0.00 64.05 61.43 2gj4 n THR 38 Cb 0.78 -1.54 -0.10 0.00 -1.82 0.00 0.00 70.33 67.65 2gj4 n THR 38 CO 0.00 0.00 0.00 0.18 -0.64 0.00 0.00 175.07 174.61 2gj4 n LEU 39 N -3.35 0.90 -3.51 -4.42 7.99 -0.55 -5.01 117.00 109.04 2gj4 n LEU 39 Ca -0.37 -0.51 -0.19 0.00 -0.01 0.00 0.00 56.01 54.93 2gj4 n LEU 39 Cb 1.03 0.00 0.08 0.00 -0.11 0.00 0.00 43.42 44.42 2gj4 n LEU 39 CO 0.37 0.22 0.11 0.52 -1.51 0.00 0.00 177.39 177.10 2gj4 n VAL 40 N -1.40 -5.11 -4.10 4.08 0.31 -0.42 -4.98 118.33 106.70 2gj4 n VAL 40 Ca 0.04 -0.39 -0.13 0.00 -0.01 0.00 0.00 64.34 63.84 2gj4 n VAL 40 Cb 0.29 -4.58 -0.11 0.00 -0.91 0.00 0.00 33.84 28.53 2gj4 n VAL 40 CO 0.00 0.00 0.00 -0.54 -1.32 0.00 0.00 176.83 174.97 2gj4 s LYS 41 N -5.66 0.63 0.46 5.55 -0.14 -0.58 -5.01 119.74 114.99 2gj4 s LYS 41 Ca 0.13 -0.89 0.08 0.00 -1.36 0.00 0.00 55.97 53.93 2gj4 s LYS 41 Cb -0.06 -0.36 0.02 0.00 -1.68 0.00 0.00 37.83 35.75 2gj4 s LYS 41 CO 0.74 0.06 0.58 -0.51 -0.76 0.00 0.00 175.35 175.46 2gj4 s ASP 42 N -1.86 5.39 0.00 2.83 1.01 -1.26 -3.74 116.67 119.05 2gj4 s ASP 42 Ca -0.05 -0.60 0.15 0.00 0.71 0.00 0.00 52.55 52.76 2gj4 s ASP 42 Cb -0.07 -0.39 0.65 0.00 1.01 0.00 0.00 42.92 44.12 2gj4 s ASP 42 CO -0.00 -0.89 1.49 0.54 0.21 0.00 0.00 175.17 176.52 2gj4 n ARG 43 N -1.88 0.00 -0.01 8.23 5.12 -1.26 -2.39 116.66 124.47 2gj4 n ARG 43 Ca 0.09 0.24 -0.16 0.00 -1.93 0.00 0.00 57.85 56.09 2gj4 n ARG 43 Cb 0.60 -1.51 -0.11 0.00 -1.16 0.00 0.00 32.46 30.28 2gj4 n ARG 43 CO 0.00 0.00 0.00 -0.91 -1.93 0.00 0.00 177.63 174.79 2gj4 h ASN 44 N 0.00 0.35 -0.02 0.55 2.35 -2.05 -3.36 115.58 113.40 2gj4 h ASN 44 Ca 0.00 -0.78 0.00 0.00 -0.55 0.00 0.00 56.30 54.97 2gj4 h ASN 44 Cb 0.26 -0.11 0.00 0.00 0.05 0.00 0.00 38.32 38.52 2gj4 h ASN 44 CO 0.00 1.09 -0.27 1.33 -1.65 0.00 0.00 177.43 177.93 2gj4 n VAL 45 N -4.37 0.00 -1.77 2.81 0.24 -1.22 -5.00 118.33 109.03 2gj4 n VAL 45 Ca -0.10 -0.36 -0.42 0.00 -2.04 0.00 0.00 64.34 61.41 2gj4 n VAL 45 Cb 0.59 1.29 -0.03 0.00 -1.47 0.00 0.00 33.84 34.22 2gj4 n VAL 45 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2gj4 s ALA 46 N -2.03 3.78 0.63 2.33 0.00 -1.00 -4.98 121.76 120.48 2gj4 s ALA 46 Ca 0.19 1.43 -0.09 0.00 0.00 0.00 0.00 51.96 53.49 2gj4 s ALA 46 Cb 0.16 -3.73 -0.00 0.00 0.00 0.00 0.00 23.12 19.55 2gj4 s ALA 46 CO 0.41 -1.12 0.99 0.95 0.00 0.00 0.00 175.76 176.98 2gj4 s THR 47 N 2.35 3.95 0.27 0.00 -4.23 -1.26 -4.94 115.64 111.78 2gj4 s THR 47 Ca 0.78 0.38 -0.01 0.00 -1.18 0.00 0.00 61.69 61.66 2gj4 s THR 47 Cb -0.45 -3.59 0.28 0.00 1.34 0.00 0.00 72.50 70.07 2gj4 s THR 47 CO 0.35 -0.71 1.87 -0.65 -0.54 0.00 0.00 174.62 174.94 2gj4 h PRO 48 N -0.34 1.09 -0.82 3.99 0.11 -2.00 -1.94 132.00 132.09 2gj4 h PRO 48 Ca -0.45 -0.07 -0.02 0.00 0.11 0.00 0.00 66.00 65.57 2gj4 h PRO 48 Cb 1.24 -0.25 -0.04 0.00 0.11 0.00 0.00 31.00 32.06 2gj4 h PRO 48 CO 0.62 0.72 0.42 -0.09 -0.21 0.00 0.00 178.00 179.46 2gj4 h ARG 49 N 1.12 1.16 -0.61 1.05 2.43 -1.98 -1.37 114.38 116.19 2gj4 h ARG 49 Ca 0.46 -0.16 0.09 0.00 -0.81 0.00 0.00 59.98 59.56 2gj4 h ARG 49 Cb 0.28 -0.22 -0.07 0.00 -0.42 0.00 0.00 29.97 29.55 2gj4 h ARG 49 CO -0.21 0.88 0.25 -0.44 -1.51 0.00 0.00 179.97 178.95 2gj4 h ASP 50 N 1.15 0.29 -0.52 -3.80 3.32 -1.74 0.04 116.42 115.15 2gj4 h ASP 50 Ca 0.28 0.07 -0.08 0.00 0.02 0.00 0.00 57.03 57.32 2gj4 h ASP 50 Cb 0.08 0.03 -0.02 0.00 0.22 0.00 0.00 39.33 39.64 2gj4 h ASP 50 CO -0.04 0.17 0.00 1.88 -1.72 0.00 0.00 179.24 179.54 2gj4 h TYR 51 N 0.46 0.99 -0.46 4.55 0.05 -0.88 -0.16 116.97 121.52 2gj4 h TYR 51 Ca 0.30 -0.17 0.04 0.00 0.05 0.00 0.00 58.73 58.95 2gj4 h TYR 51 Cb 0.34 -0.26 -0.04 0.00 1.01 0.00 0.00 36.73 37.78 2gj4 h TYR 51 CO -0.15 0.92 0.23 -0.92 -1.05 0.00 0.00 178.16 177.19 2gj4 h TYR 52 N 0.78 0.42 -0.35 4.88 3.20 -0.92 -2.23 116.97 122.74 2gj4 h TYR 52 Ca 0.15 0.02 -0.07 0.00 3.14 0.00 0.00 58.73 61.97 2gj4 h TYR 52 Cb 0.52 -0.12 -0.02 0.00 1.54 0.00 0.00 36.73 38.65 2gj4 h TYR 52 CO 0.04 0.21 -0.08 0.74 -1.64 0.00 0.00 178.16 177.43 2gj4 h PHE 53 N 0.45 0.63 -0.39 -3.82 0.04 -0.53 -1.27 116.94 112.06 2gj4 h PHE 53 Ca 0.20 -0.09 -0.04 0.00 2.80 0.00 0.00 57.97 60.84 2gj4 h PHE 53 Cb 0.11 -0.17 -0.02 0.00 2.20 0.00 0.00 35.95 38.07 2gj4 h PHE 53 CO -0.10 0.65 0.10 0.00 -0.60 0.00 0.00 178.31 178.36 2gj4 h ALA 54 N 1.37 0.52 -0.52 2.45 0.00 -0.85 -2.19 119.26 120.05 2gj4 h ALA 54 Ca 0.10 -0.19 -0.06 0.00 0.00 0.00 0.00 54.91 54.77 2gj4 h ALA 54 Cb 0.46 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.08 2gj4 h ALA 54 CO 0.02 0.19 0.08 1.25 0.00 0.00 0.00 179.25 180.79 2gj4 h LEU 55 N 0.49 0.82 -0.48 0.00 5.85 -1.19 -1.96 115.31 118.84 2gj4 h LEU 55 Ca 0.12 -0.26 0.03 0.00 0.84 0.00 0.00 57.88 58.61 2gj4 h LEU 55 Cb 0.30 -0.22 -0.04 0.00 0.37 0.00 0.00 40.66 41.08 2gj4 h LEU 55 CO 0.00 0.88 0.27 0.00 -0.34 0.00 0.00 178.44 179.24 2gj4 h ALA 56 N 0.98 0.62 -0.54 1.25 0.00 -1.14 -0.90 119.26 119.53 2gj4 h ALA 56 Ca 0.16 0.00 -0.10 0.00 0.00 0.00 0.00 54.91 54.97 2gj4 h ALA 56 Cb 0.40 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.07 2gj4 h ALA 56 CO 0.01 -0.06 -0.07 0.45 0.00 0.00 0.00 179.25 179.59 2gj4 h HIS 57 N 0.53 1.07 -0.47 0.00 3.86 -1.30 0.57 115.15 119.41 2gj4 h HIS 57 Ca 0.20 -0.20 0.01 0.00 -1.16 0.00 0.00 60.37 59.23 2gj4 h HIS 57 Cb 0.06 -0.27 -0.03 0.00 1.06 0.00 0.00 27.41 28.23 2gj4 h HIS 57 CO -0.08 0.99 0.29 1.15 0.86 0.00 0.00 177.93 181.14 2gj4 h THR 58 N 0.88 1.08 -0.22 2.45 2.02 -0.96 -1.73 112.91 116.44 2gj4 h THR 58 Ca 0.15 -0.20 -0.13 0.00 0.77 0.00 0.00 66.41 66.99 2gj4 h THR 58 Cb 0.61 0.43 -0.00 0.00 -1.74 0.00 0.00 68.15 67.45 2gj4 h THR 58 CO 0.04 0.11 -0.37 0.58 0.37 0.00 0.00 175.52 176.25 2gj4 h VAL 59 N 0.60 1.32 -1.00 3.16 2.07 -1.03 -3.20 116.25 118.17 2gj4 h VAL 59 Ca 0.18 -1.58 0.14 0.00 0.82 0.00 0.00 66.70 66.26 2gj4 h VAL 59 Cb -0.02 1.80 -0.09 0.00 -1.52 0.00 0.00 31.29 31.46 2gj4 h VAL 59 CO -0.07 0.49 0.63 -0.09 0.02 0.00 0.00 177.57 178.55 2gj4 h ARG 60 N 0.32 0.90 -0.37 1.57 2.43 -0.70 -1.48 114.38 117.06 2gj4 h ARG 60 Ca 0.02 -0.05 0.09 0.00 -0.81 0.00 0.00 59.98 59.22 2gj4 h ARG 60 Cb 0.96 -0.20 -0.02 0.00 -0.42 0.00 0.00 29.97 30.29 2gj4 h ARG 60 CO 0.08 0.60 0.26 -0.44 -1.51 0.00 0.00 179.97 178.96 2gj4 h ASP 61 N 0.93 0.10 0.79 -3.80 3.32 -1.31 -0.68 116.42 115.78 2gj4 h ASP 61 Ca 0.52 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.57 2gj4 h ASP 61 Cb 0.60 -0.02 0.00 0.00 0.22 0.00 0.00 39.33 40.12 2gj4 h ASP 61 CO -0.29 0.06 0.00 1.41 -1.72 0.00 0.00 179.24 178.70 2gj4 n HIS 62 N -4.45 0.68 0.12 4.55 8.25 -0.56 -3.00 115.22 120.80 2gj4 n HIS 62 Ca 0.05 0.26 0.05 0.00 -0.26 0.00 0.00 57.72 57.82 2gj4 n HIS 62 Cb 0.36 -0.91 0.02 0.00 1.12 0.00 0.00 29.99 30.58 2gj4 n HIS 62 CO 0.00 0.00 0.00 -0.07 0.64 0.00 0.00 176.34 176.91 2gj4 h LEU 63 N 0.00 0.00 0.02 2.41 3.38 -1.21 -3.43 115.31 116.49 2gj4 h LEU 63 Ca 0.00 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.97 2gj4 h LEU 63 Cb 0.40 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.15 2gj4 h LEU 63 CO 0.00 0.35 -0.01 0.58 0.09 0.00 0.00 178.44 179.45 2gj4 h VAL 64 N 0.00 1.21 -0.33 1.22 2.07 -1.62 -1.28 116.25 117.52 2gj4 h VAL 64 Ca -0.05 -0.71 0.04 0.00 0.82 0.00 0.00 66.70 66.81 2gj4 h VAL 64 Cb 1.30 1.69 -0.04 0.00 -1.52 0.00 0.00 31.29 32.72 2gj4 h VAL 64 CO 0.04 0.18 0.08 1.23 0.02 0.00 0.00 177.57 179.12 2gj4 h GLY 65 N -0.33 0.39 0.99 2.17 0.00 -1.82 -1.06 103.07 103.41 2gj4 h GLY 65 Ca -0.00 -0.04 0.01 0.00 0.00 0.00 0.00 47.33 47.30 2gj4 h GLY 65 CO 0.00 -0.00 0.58 3.21 0.00 0.00 0.00 176.54 180.33 2gj4 h ARG 66 N 0.20 1.13 -0.22 4.80 3.08 -1.81 -0.48 114.38 121.10 2gj4 h ARG 66 Ca 0.15 -0.07 -0.02 0.00 0.07 0.00 0.00 59.98 60.12 2gj4 h ARG 66 Cb 0.16 -0.26 -0.01 0.00 0.08 0.00 0.00 29.97 29.94 2gj4 h ARG 66 CO -0.19 0.75 0.07 2.35 -1.07 0.00 0.00 179.97 181.88 2gj4 h TRP 67 N 1.17 0.34 -0.15 3.04 7.01 -0.83 0.68 115.95 127.21 2gj4 h TRP 67 Ca 0.32 -0.03 -0.00 0.00 2.11 0.00 0.00 58.89 61.29 2gj4 h TRP 67 Cb -0.11 -0.10 -0.01 0.00 -2.10 0.00 0.00 29.16 26.84 2gj4 h TRP 67 CO -0.01 0.41 0.09 0.82 -2.79 0.00 0.00 178.44 176.96 2gj4 h ILE 68 N 0.18 1.06 -0.25 2.65 2.04 -1.06 -2.84 117.51 119.30 2gj4 h ILE 68 Ca 0.07 -0.14 -0.12 0.00 1.00 0.00 0.00 64.86 65.67 2gj4 h ILE 68 Cb 0.22 0.89 -0.01 0.00 -0.74 0.00 0.00 36.82 37.18 2gj4 h ILE 68 CO -0.00 0.06 -0.33 0.03 0.00 0.00 0.00 178.15 177.90 2gj4 h ARG 69 N 0.18 0.54 0.10 2.37 3.08 -1.01 -2.26 114.38 117.39 2gj4 h ARG 69 Ca 0.05 -0.25 -0.00 0.00 0.07 0.00 0.00 59.98 59.85 2gj4 h ARG 69 Cb 0.01 -0.01 0.00 0.00 0.08 0.00 0.00 29.97 30.05 2gj4 h ARG 69 CO -0.01 0.81 -0.05 1.15 -1.07 0.00 0.00 179.97 180.80 2gj4 h THR 70 N 0.46 0.95 -0.09 2.04 2.02 -0.82 -0.39 112.91 117.08 2gj4 h THR 70 Ca 0.05 -0.19 -0.11 0.00 0.77 0.00 0.00 66.41 66.94 2gj4 h THR 70 Cb 0.81 1.08 -0.01 0.00 -1.74 0.00 0.00 68.15 68.28 2gj4 h THR 70 CO 0.07 0.05 -0.42 1.56 0.37 0.00 0.00 175.52 177.14 2gj4 h GLN 71 N -0.22 0.20 -0.44 6.66 1.08 -1.46 -1.20 115.11 119.74 2gj4 h GLN 71 Ca -0.01 -0.10 -0.05 0.00 -1.45 0.00 0.00 58.65 57.03 2gj4 h GLN 71 Cb 0.18 -0.00 -0.02 0.00 -0.05 0.00 0.00 27.48 27.59 2gj4 h GLN 71 CO 0.02 0.59 0.06 0.37 -0.95 0.00 0.00 178.83 178.93 2gj4 h GLN 72 N 0.17 0.74 -0.98 1.46 5.75 -1.34 -2.58 115.11 118.33 2gj4 h GLN 72 Ca 0.01 -0.20 0.07 0.00 -0.15 0.00 0.00 58.65 58.38 2gj4 h GLN 72 Cb 0.82 -0.08 -0.07 0.00 1.07 0.00 0.00 27.48 29.22 2gj4 h GLN 72 CO 0.06 0.77 0.64 1.25 -2.65 0.00 0.00 178.83 178.90 2gj4 h HIS 73 N 0.59 1.16 -0.31 3.99 2.76 -0.47 -1.89 115.15 120.99 2gj4 h HIS 73 Ca 0.13 0.03 -0.12 0.00 -2.20 0.00 0.00 60.37 58.21 2gj4 h HIS 73 Cb 0.40 -0.38 -0.01 0.00 1.55 0.00 0.00 27.41 28.97 2gj4 h HIS 73 CO 0.03 0.59 -0.29 1.88 -1.30 0.00 0.00 177.93 178.83 2gj4 h TYR 74 N 1.13 0.74 -0.23 5.26 0.05 -1.10 -0.54 116.97 122.28 2gj4 h TYR 74 Ca 0.43 -0.18 -0.00 0.00 0.05 0.00 0.00 58.73 59.02 2gj4 h TYR 74 Cb 0.21 -0.17 -0.01 0.00 1.01 0.00 0.00 36.73 37.77 2gj4 h TYR 74 CO -0.00 0.86 0.12 -0.92 -1.05 0.00 0.00 178.16 177.18 2gj4 h TYR 75 N 0.55 0.31 -0.22 4.88 3.20 -1.03 0.79 116.97 125.45 2gj4 h TYR 75 Ca 0.07 -0.01 -0.09 0.00 3.14 0.00 0.00 58.73 61.84 2gj4 h TYR 75 Cb 0.78 -0.10 -0.00 0.00 1.54 0.00 0.00 36.73 38.95 2gj4 h TYR 75 CO 0.03 0.27 -0.22 0.93 -1.64 0.00 0.00 178.16 177.54 2gj4 h GLU 76 N 0.26 0.53 -0.00 1.82 5.08 -1.22 -3.11 114.58 117.94 2gj4 h GLU 76 Ca 0.08 -0.28 -0.14 0.00 -1.00 0.00 0.00 59.36 58.02 2gj4 h GLU 76 Cb 0.07 0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.31 2gj4 h GLU 76 CO -0.01 0.87 -0.65 -0.22 -1.00 0.00 0.00 179.01 178.00 2gj4 h LYS 77 N 0.22 0.01 -5.97 2.33 3.64 -1.15 -3.48 116.57 112.17 2gj4 h LYS 77 Ca 0.03 -0.01 -0.39 0.00 -1.27 0.00 0.00 60.65 59.02 2gj4 h LYS 77 Cb 0.77 0.00 0.09 0.00 -0.41 0.00 0.00 32.23 32.69 2gj4 h LYS 77 CO 0.05 0.65 -0.84 -3.47 -2.27 0.00 0.00 179.45 173.58 2gj4 n ASP 78 N -3.77 -2.42 -4.82 4.20 2.03 0.27 -4.99 116.55 107.05 2gj4 n ASP 78 Ca -0.01 -0.80 -0.29 0.00 0.52 0.00 0.00 54.79 54.20 2gj4 n ASP 78 Cb 0.64 -4.26 0.10 0.00 -0.72 0.00 0.00 41.12 36.88 2gj4 n ASP 78 CO 0.00 0.00 0.00 -2.16 -1.92 0.00 0.00 177.20 173.12 2gj4 s PRO 79 N -5.70 1.81 0.31 -0.67 0.04 -1.26 -5.00 135.00 124.53 2gj4 s PRO 79 Ca 0.11 0.39 -0.29 0.00 0.04 0.00 0.00 61.00 61.25 2gj4 s PRO 79 Cb -0.03 -1.91 -0.11 0.00 0.04 0.00 0.00 34.50 32.49 2gj4 s PRO 79 CO 0.80 -1.76 1.53 0.21 0.04 0.00 0.00 177.00 177.82 2gj4 s LYS 80 N -5.30 4.14 -0.12 4.56 2.20 -1.26 -4.97 119.74 118.99 2gj4 s LYS 80 Ca 0.62 2.53 -0.05 0.00 -0.36 0.00 0.00 55.97 58.71 2gj4 s LYS 80 Cb -0.13 -3.02 -0.04 0.00 -1.51 0.00 0.00 37.83 33.13 2gj4 s LYS 80 CO 0.53 -0.56 0.09 1.03 -0.36 0.00 0.00 175.35 176.07 2gj4 s ARG 81 N -1.01 3.35 -0.21 4.03 0.52 -0.62 -4.59 118.95 120.43 2gj4 s ARG 81 Ca 0.59 -0.24 -0.05 0.00 -0.52 0.00 0.00 55.73 55.51 2gj4 s ARG 81 Cb -0.46 -3.07 -0.02 0.00 0.52 0.00 0.00 34.95 31.92 2gj4 s ARG 81 CO 0.52 0.70 0.00 0.42 0.02 0.00 0.00 175.30 176.96 2gj4 s ILE 82 N -0.83 3.92 -0.26 1.52 -1.09 -0.56 -1.53 121.20 122.38 2gj4 s ILE 82 Ca 0.13 -0.32 0.00 0.00 -2.23 0.00 0.00 60.65 58.23 2gj4 s ILE 82 Cb -0.12 -2.78 0.04 0.00 -1.58 0.00 0.00 42.46 38.03 2gj4 s ILE 82 CO 0.03 0.42 -0.08 -0.31 -1.23 0.00 0.00 174.94 173.77 2gj4 s TYR 83 N 1.09 3.15 -0.47 3.97 2.02 0.13 -0.55 117.35 126.69 2gj4 s TYR 83 Ca 0.02 -1.89 -0.14 0.00 -0.37 0.00 0.00 57.07 54.69 2gj4 s TYR 83 Cb -0.14 -2.01 0.08 0.00 -0.40 0.00 0.00 41.96 39.49 2gj4 s TYR 83 CO 0.01 -0.80 0.39 -0.47 -1.57 0.00 0.00 175.55 173.11 2gj4 s TYR 84 N 1.23 3.26 -0.24 2.71 5.04 -0.32 -0.76 117.35 128.27 2gj4 s TYR 84 Ca -0.04 -1.09 -0.15 0.00 -2.44 0.00 0.00 57.07 53.35 2gj4 s TYR 84 Cb -0.18 -3.24 -0.04 0.00 0.35 0.00 0.00 41.96 38.85 2gj4 s TYR 84 CO -0.05 -0.84 0.36 -0.51 -1.34 0.00 0.00 175.55 173.17 2gj4 s LEU 85 N 1.60 4.09 -0.07 6.97 1.43 -0.61 -1.59 118.68 130.49 2gj4 s LEU 85 Ca 0.04 0.36 -0.14 0.00 -1.03 0.00 0.00 54.13 53.35 2gj4 s LEU 85 Cb -0.25 -2.42 0.03 0.00 0.03 0.00 0.00 46.19 43.58 2gj4 s LEU 85 CO 0.05 -0.12 0.34 -0.55 0.23 0.00 0.00 176.35 176.30 2gj4 s SER 86 N 1.35 -0.28 0.00 2.29 0.15 -0.87 -2.07 113.70 114.26 2gj4 s SER 86 Ca 0.16 0.39 0.30 0.00 0.70 0.00 0.00 55.95 57.50 2gj4 s SER 86 Cb -0.15 0.51 1.44 0.00 -1.71 0.00 0.00 66.02 66.11 2gj4 s SER 86 CO 0.09 -0.30 1.98 0.18 1.20 0.00 0.00 173.24 176.39 2gj4 n LEU 87 N 2.04 0.31 -3.79 3.45 7.99 -1.26 -4.13 117.00 121.61 2gj4 n LEU 87 Ca -0.17 0.04 -0.14 0.00 -0.01 0.00 0.00 56.01 55.73 2gj4 n LEU 87 Cb 0.57 -0.16 -0.15 0.00 -0.11 0.00 0.00 43.42 43.57 2gj4 n LEU 87 CO 0.18 0.06 -0.30 -1.61 -1.51 0.00 0.00 177.39 174.21 2gj4 s GLU 88 N -2.36 0.03 -0.28 3.23 2.02 -1.26 -4.74 118.70 115.33 2gj4 s GLU 88 Ca 0.34 0.20 -0.01 0.00 0.02 0.00 0.00 54.97 55.52 2gj4 s GLU 88 Cb 0.21 -0.14 0.09 0.00 0.10 0.00 0.00 34.13 34.38 2gj4 s GLU 88 CO 0.44 -0.12 0.07 -0.06 0.02 0.00 0.00 175.26 175.62 2gj4 s PHE 89 N 0.78 1.58 -1.23 1.61 0.08 -0.37 -4.69 117.98 115.74 2gj4 s PHE 89 Ca -0.06 -1.53 -0.12 0.00 0.12 0.00 0.00 56.93 55.33 2gj4 s PHE 89 Cb -0.09 -1.54 0.17 0.00 -0.57 0.00 0.00 43.02 40.99 2gj4 s PHE 89 CO -0.03 -0.81 1.56 0.98 -0.10 0.00 0.00 175.22 176.82 2gj4 n TYR 90 N 4.89 4.37 0.07 0.36 4.19 -0.45 -3.47 117.16 127.12 2gj4 n TYR 90 Ca -0.04 -3.20 -0.02 0.00 3.31 0.00 0.00 57.90 57.95 2gj4 n TYR 90 Cb 0.43 -2.11 -0.07 0.00 0.49 0.00 0.00 39.34 38.09 2gj4 n TYR 90 CO 0.00 0.00 0.00 0.52 0.91 0.00 0.00 176.86 178.29 2gj4 h MET 91 N 6.71 0.00 0.00 2.98 2.86 -1.71 -3.42 114.93 122.35 2gj4 h MET 91 Ca 0.34 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.98 2gj4 h MET 91 Cb 0.80 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.46 2gj4 h MET 91 CO 1.35 0.60 0.00 0.41 1.06 0.00 0.00 176.91 180.33 2gj4 n GLY 92 N 1.35 0.35 3.91 8.32 0.00 -0.94 -4.85 105.19 113.33 2gj4 n GLY 92 Ca -0.04 -0.85 -0.27 0.00 0.00 0.00 0.00 46.02 44.86 2gj4 n GLY 92 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2gj4 s ARG 93 N 0.00 3.56 -0.03 1.61 0.52 -1.26 -1.44 118.95 121.90 2gj4 s ARG 93 Ca 0.00 0.10 0.05 0.00 -0.52 0.00 0.00 55.73 55.37 2gj4 s ARG 93 Cb 0.00 -2.45 -0.07 0.00 0.52 0.00 0.00 34.95 32.94 2gj4 s ARG 93 CO 0.00 -0.09 0.06 2.41 0.02 0.00 0.00 175.30 177.70 2gj4 n THR 94 N -1.97 0.22 0.27 0.02 -1.04 -1.26 -4.68 114.28 105.84 2gj4 n THR 94 Ca -0.01 -0.19 -0.16 0.00 -2.04 0.00 0.00 64.05 61.66 2gj4 n THR 94 Cb 0.55 -0.38 -0.08 0.00 -1.82 0.00 0.00 70.33 68.60 2gj4 n THR 94 CO 0.00 0.00 0.00 0.25 -0.64 0.00 0.00 175.07 174.68 2gj4 h LEU 95 N 0.00 -0.54 -0.59 -4.42 5.85 -1.97 -1.68 115.31 111.96 2gj4 h LEU 95 Ca -0.09 0.02 -0.04 0.00 0.84 0.00 0.00 57.88 58.61 2gj4 h LEU 95 Cb 0.91 0.14 -0.03 0.00 0.37 0.00 0.00 40.66 42.06 2gj4 h LEU 95 CO 0.00 -0.38 0.21 -0.61 -0.34 0.00 0.00 178.44 177.33 2gj4 h GLN 96 N -0.63 0.90 -1.00 1.25 4.15 -1.97 -2.36 115.11 115.45 2gj4 h GLN 96 Ca -0.06 -0.18 0.03 0.00 0.77 0.00 0.00 58.65 59.21 2gj4 h GLN 96 Cb 0.49 -0.14 -0.06 0.00 0.21 0.00 0.00 27.48 27.98 2gj4 h GLN 96 CO 0.10 0.79 0.66 -0.97 -1.93 0.00 0.00 178.83 177.47 2gj4 h ASN 97 N 0.83 1.11 -0.32 -0.69 -1.24 -1.81 -0.29 115.58 113.15 2gj4 h ASN 97 Ca 0.19 -0.02 -0.05 0.00 0.71 0.00 0.00 56.30 57.14 2gj4 h ASN 97 Cb 0.24 -0.26 -0.01 0.00 0.73 0.00 0.00 38.32 39.02 2gj4 h ASN 97 CO -0.01 0.77 0.00 0.74 -1.29 0.00 0.00 177.43 177.64 2gj4 h THR 98 N 1.29 1.26 -0.34 -3.57 2.02 -1.05 -2.10 112.91 110.41 2gj4 h THR 98 Ca 0.39 -0.95 -0.01 0.00 0.77 0.00 0.00 66.41 66.61 2gj4 h THR 98 Cb -0.04 1.24 -0.02 0.00 -1.74 0.00 0.00 68.15 67.59 2gj4 h THR 98 CO -0.11 0.31 0.17 0.24 0.37 0.00 0.00 175.52 176.50 2gj4 h MET 99 N 0.37 0.49 -0.22 6.66 2.86 -1.05 -2.31 114.93 121.73 2gj4 h MET 99 Ca 0.09 -0.07 0.03 0.00 -2.06 0.00 0.00 59.70 57.69 2gj4 h MET 99 Cb 0.44 -0.09 -0.03 0.00 0.06 0.00 0.00 31.60 31.98 2gj4 h MET 99 CO 0.02 0.43 0.05 0.28 1.06 0.00 0.00 176.91 178.74 2gj4 h VAL 100 N 0.42 0.90 0.00 -2.22 2.07 -0.99 -0.48 116.25 115.96 2gj4 h VAL 100 Ca 0.12 -0.05 -0.01 0.00 0.82 0.00 0.00 66.70 67.59 2gj4 h VAL 100 Cb 0.10 0.76 -0.00 0.00 -1.52 0.00 0.00 31.29 30.62 2gj4 h VAL 100 CO -0.02 0.02 -0.03 0.78 0.02 0.00 0.00 177.57 178.35 2gj4 h ASN 101 N 0.13 0.00 -0.18 0.57 2.35 -1.29 -2.63 115.58 114.53 2gj4 h ASN 101 Ca 0.10 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.85 2gj4 h ASN 101 Cb 0.09 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.46 2gj4 h ASN 101 CO -0.13 0.03 0.00 0.18 -1.65 0.00 0.00 177.43 175.86 2gj4 n LEU 102 N -3.13 2.92 -2.59 1.61 4.77 -0.88 -1.42 117.00 118.28 2gj4 n LEU 102 Ca 0.01 -1.27 -0.20 0.00 -0.03 0.00 0.00 56.01 54.52 2gj4 n LEU 102 Cb 0.32 -0.11 0.03 0.00 -2.33 0.00 0.00 43.42 41.33 2gj4 n LEU 102 CO 0.28 0.58 -0.04 0.00 -1.33 0.00 0.00 177.39 176.88 2gj4 n ALA 103 N 1.17 -0.81 0.78 -1.18 0.00 -0.54 -4.93 120.51 115.00 2gj4 n ALA 103 Ca 0.14 0.24 0.09 0.00 0.00 0.00 0.00 53.44 53.91 2gj4 n ALA 103 Cb 0.51 -3.27 0.05 0.00 0.00 0.00 0.00 19.45 16.74 2gj4 n ALA 103 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 2gj4 n LEU 104 N -3.44 2.23 0.06 0.00 4.77 -0.30 -4.51 117.00 115.81 2gj4 n LEU 104 Ca -0.12 -0.91 -0.13 0.00 -0.03 0.00 0.00 56.01 54.83 2gj4 n LEU 104 Cb 0.62 0.00 -0.08 0.00 -2.33 0.00 0.00 43.42 41.63 2gj4 n LEU 104 CO 0.39 0.40 0.81 -0.08 -1.33 0.00 0.00 177.39 177.58 2gj4 h GLU 105 N 2.99 -0.08 -0.28 3.23 4.81 -1.65 -1.04 114.58 122.57 2gj4 h GLU 105 Ca 0.00 0.01 -0.06 0.00 -0.13 0.00 0.00 59.36 59.18 2gj4 h GLU 105 Cb 0.71 0.02 -0.02 0.00 0.63 0.00 0.00 28.75 30.09 2gj4 h GLU 105 CO 0.00 0.02 -0.09 -0.91 -0.73 0.00 0.00 179.01 177.30 2gj4 h ASN 106 N -0.15 0.42 -0.26 1.04 2.35 -1.56 -1.72 115.58 115.69 2gj4 h ASN 106 Ca -0.01 -0.09 -0.09 0.00 -0.55 0.00 0.00 56.30 55.56 2gj4 h ASN 106 Cb 0.13 -0.11 -0.01 0.00 0.05 0.00 0.00 38.32 38.38 2gj4 h ASN 106 CO 0.01 0.56 -0.20 0.00 -1.65 0.00 0.00 177.43 176.15 2gj4 h ALA 107 N 1.49 0.37 -0.42 -0.83 0.00 -1.62 -2.30 119.26 115.96 2gj4 h ALA 107 Ca 0.08 -0.35 -0.09 0.00 0.00 0.00 0.00 54.91 54.55 2gj4 h ALA 107 Cb 0.41 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.10 2gj4 h ALA 107 CO 0.02 0.31 -0.12 0.00 0.00 0.00 0.00 179.25 179.46 2gj4 h ASP 109 N 0.68 0.63 -0.41 0.00 3.58 -1.30 -1.23 116.42 118.38 2gj4 h ASP 109 Ca 0.11 -0.18 -0.10 0.00 0.42 0.00 0.00 57.03 57.29 2gj4 h ASP 109 Cb 0.59 -0.16 -0.01 0.00 1.72 0.00 0.00 39.33 41.47 2gj4 h ASP 109 CO 0.04 0.64 -0.14 -0.08 -2.88 0.00 0.00 179.24 176.82 2gj4 h GLU 110 N 0.59 0.81 -0.21 0.28 4.57 -1.28 -1.50 114.58 117.83 2gj4 h GLU 110 Ca 0.15 -0.33 0.00 0.00 -1.18 0.00 0.00 59.36 58.00 2gj4 h GLU 110 Cb 0.21 -0.04 -0.01 0.00 -0.16 0.00 0.00 28.75 28.75 2gj4 h GLU 110 CO -0.01 0.95 0.14 0.00 -1.18 0.00 0.00 179.01 178.91 2gj4 h ALA 111 N 0.83 0.27 -0.37 2.92 0.00 -0.88 -0.97 119.26 121.06 2gj4 h ALA 111 Ca 0.10 -0.01 -0.13 0.00 0.00 0.00 0.00 54.91 54.87 2gj4 h ALA 111 Cb 0.68 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.38 2gj4 h ALA 111 CO 0.05 -0.26 -0.29 1.79 0.00 0.00 0.00 179.25 180.53 2gj4 h THR 112 N 0.28 1.28 -0.17 0.00 1.35 -1.23 -2.48 112.91 111.93 2gj4 h THR 112 Ca 0.08 -1.44 0.03 0.00 -0.55 0.00 0.00 66.41 64.54 2gj4 h THR 112 Cb -0.02 1.30 -0.03 0.00 -1.73 0.00 0.00 68.15 67.67 2gj4 h THR 112 CO -0.02 0.48 -0.04 0.22 -0.25 0.00 0.00 175.52 175.91 2gj4 h TYR 113 N 0.68 -0.08 -0.01 4.73 3.20 -1.09 0.47 116.97 124.86 2gj4 h TYR 113 Ca 0.08 0.02 0.00 0.00 3.14 0.00 0.00 58.73 61.97 2gj4 h TYR 113 Cb 0.83 0.06 -0.00 0.00 1.54 0.00 0.00 36.73 39.16 2gj4 h TYR 113 CO 0.04 -0.07 0.01 1.96 -1.64 0.00 0.00 178.16 178.47 2gj4 h GLN 114 N 0.01 0.00 -0.01 1.82 4.20 -1.02 0.92 115.11 121.03 2gj4 h GLN 114 Ca 0.08 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.79 2gj4 h GLN 114 Cb 0.12 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.90 2gj4 h GLN 114 CO -0.17 0.00 -0.03 1.28 -0.67 0.00 0.00 178.83 179.24 2gj4 n LEU 115 N -4.00 0.94 -0.00 1.46 4.77 -0.69 -4.94 117.00 114.54 2gj4 n LEU 115 Ca -0.03 -0.29 0.00 0.00 -0.03 0.00 0.00 56.01 55.66 2gj4 n LEU 115 Cb 0.09 -0.03 0.00 0.00 -2.33 0.00 0.00 43.42 41.15 2gj4 n LEU 115 CO 0.29 0.16 0.00 0.61 -1.33 0.00 0.00 177.39 177.12 2gj4 n GLY 116 N 1.15 0.64 3.20 -0.72 0.00 0.32 -5.07 105.19 104.71 2gj4 n GLY 116 Ca 0.19 -0.74 -0.22 0.00 0.00 0.00 0.00 46.02 45.25 2gj4 n GLY 116 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2gj4 s LEU 117 N -0.00 2.20 -0.41 0.99 1.43 0.07 -5.00 118.68 117.96 2gj4 s LEU 117 Ca 0.00 -0.53 -0.16 0.00 -1.03 0.00 0.00 54.13 52.41 2gj4 s LEU 117 Cb 0.00 -0.76 0.02 0.00 0.03 0.00 0.00 46.19 45.48 2gj4 s LEU 117 CO 0.00 0.06 0.37 -0.62 0.23 0.00 0.00 176.35 176.39 2gj4 s ASP 118 N -1.35 6.15 0.44 2.29 -1.08 -1.26 -3.00 116.67 118.86 2gj4 s ASP 118 Ca 0.04 -0.71 0.09 0.00 -0.52 0.00 0.00 52.55 51.45 2gj4 s ASP 118 Cb -0.09 -2.19 0.96 0.00 -1.46 0.00 0.00 42.92 40.14 2gj4 s ASP 118 CO 0.02 -0.49 2.08 -0.03 0.52 0.00 0.00 175.17 177.27 2gj4 h MET 119 N 8.66 0.39 -0.25 4.34 1.85 -1.92 -1.81 114.93 126.18 2gj4 h MET 119 Ca -0.27 -0.03 -0.09 0.00 -0.61 0.00 0.00 59.70 58.71 2gj4 h MET 119 Cb 1.12 -0.09 -0.01 0.00 0.43 0.00 0.00 31.60 33.05 2gj4 h MET 119 CO 0.75 0.26 -0.21 0.93 -0.40 0.00 0.00 176.91 178.24 2gj4 h GLU 120 N 0.40 0.46 -0.56 0.39 5.08 -1.99 -0.63 114.58 117.73 2gj4 h GLU 120 Ca 0.11 -0.16 -0.02 0.00 -1.00 0.00 0.00 59.36 58.29 2gj4 h GLU 120 Cb -0.04 -0.04 -0.03 0.00 0.50 0.00 0.00 28.75 29.15 2gj4 h GLU 120 CO -0.02 0.65 0.27 0.93 -1.00 0.00 0.00 179.01 179.84 2gj4 h GLU 121 N 0.42 0.81 -0.79 2.33 5.08 -1.77 -2.86 114.58 117.80 2gj4 h GLU 121 Ca 0.07 -0.12 -0.05 0.00 -1.00 0.00 0.00 59.36 58.26 2gj4 h GLU 121 Cb 0.61 -0.15 -0.03 0.00 0.50 0.00 0.00 28.75 29.68 2gj4 h GLU 121 CO 0.04 0.66 0.31 -0.07 -1.00 0.00 0.00 179.01 178.95 2gj4 h LEU 122 N 0.76 1.09 -1.49 1.33 3.38 -1.18 -2.86 115.31 116.34 2gj4 h LEU 122 Ca 0.19 -0.18 -0.00 0.00 0.09 0.00 0.00 57.88 57.99 2gj4 h LEU 122 Cb 0.12 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 40.56 2gj4 h LEU 122 CO -0.02 0.97 0.29 -0.33 0.09 0.00 0.00 178.44 179.43 2gj4 h GLU 123 N 1.14 0.64 0.00 1.13 5.08 -0.97 -2.24 114.58 119.36 2gj4 h GLU 123 Ca 0.26 -0.05 0.00 0.00 -1.00 0.00 0.00 59.36 58.57 2gj4 h GLU 123 Cb 0.22 -0.14 0.00 0.00 0.50 0.00 0.00 28.75 29.33 2gj4 h GLU 123 CO -0.02 0.44 0.00 0.39 -1.00 0.00 0.00 179.01 178.82 2gj4 n GLU 124 N -4.44 0.14 0.17 2.33 -0.58 -1.08 -2.69 120.64 114.49 2gj4 n GLU 124 Ca 0.04 0.44 0.06 0.00 -0.42 0.00 0.00 57.16 57.29 2gj4 n GLU 124 Cb 0.07 -1.80 0.12 0.00 -0.57 0.00 0.00 31.44 29.26 2gj4 n GLU 124 CO 0.00 0.00 0.00 0.82 -0.48 0.00 0.00 177.13 177.47 2gj4 h ILE 125 N 0.00 0.57 -3.23 -3.67 2.04 -1.49 -3.46 117.51 108.27 2gj4 h ILE 125 Ca 0.00 -1.73 -0.53 0.00 1.00 0.00 0.00 64.86 63.60 2gj4 h ILE 125 Cb 0.24 2.23 0.03 0.00 -0.74 0.00 0.00 36.82 38.59 2gj4 h ILE 125 CO 0.00 0.31 0.70 -0.70 0.00 0.00 0.00 178.15 178.46 2gj4 s GLU 126 N -3.10 4.34 0.35 2.37 2.12 -1.10 -5.01 118.70 118.68 2gj4 s GLU 126 Ca 0.05 2.10 -0.27 0.00 0.36 0.00 0.00 54.97 57.21 2gj4 s GLU 126 Cb 0.07 -3.20 -0.09 0.00 0.26 0.00 0.00 34.13 31.17 2gj4 s GLU 126 CO 0.71 -0.35 1.16 -1.21 -0.54 0.00 0.00 175.26 175.03 2gj4 s GLU 127 N 0.32 4.29 0.42 4.30 0.41 -1.26 -4.99 118.70 122.19 2gj4 s GLU 127 Ca 0.60 1.86 -0.26 0.00 -0.41 0.00 0.00 54.97 56.75 2gj4 s GLU 127 Cb -0.37 -2.88 -0.09 0.00 -1.78 0.00 0.00 34.13 29.00 2gj4 s GLU 127 CO 0.36 -0.12 1.41 -0.51 -0.49 0.00 0.00 175.26 175.91 2gj4 s ASP 128 N -1.00 6.13 -0.99 -0.19 1.11 -1.26 -4.62 116.67 115.86 2gj4 s ASP 128 Ca 0.52 2.88 -0.21 0.00 0.18 0.00 0.00 52.55 55.92 2gj4 s ASP 128 Cb -0.32 -2.65 0.09 0.00 1.07 0.00 0.00 42.92 41.11 2gj4 s ASP 128 CO 0.40 -1.00 1.31 0.00 1.18 0.00 0.00 175.17 177.07 2gj4 s ALA 129 N -1.19 3.02 -1.03 5.23 0.00 -0.52 -4.92 121.76 122.35 2gj4 s ALA 129 Ca 0.57 -2.50 -0.03 0.00 0.00 0.00 0.00 51.96 50.00 2gj4 s ALA 129 Cb -0.43 -4.32 0.20 0.00 0.00 0.00 0.00 23.12 18.57 2gj4 s ALA 129 CO 0.56 -3.33 2.23 0.41 0.00 0.00 0.00 175.76 175.64 2gj4 n GLY 130 N 6.23 5.40 1.93 0.00 0.00 -1.26 -1.99 105.19 115.51 2gj4 n GLY 130 Ca 0.29 -2.24 -0.19 0.00 0.00 0.00 0.00 46.02 43.88 2gj4 n GLY 130 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2gj4 n LEU 131 N 0.76 6.48 -3.95 0.99 4.77 -1.23 -1.09 117.00 123.73 2gj4 n LEU 131 Ca 0.54 -3.37 -0.09 0.00 -0.03 0.00 0.00 56.01 53.07 2gj4 n LEU 131 Cb 0.30 -1.00 -0.03 0.00 -2.33 0.00 0.00 43.42 40.36 2gj4 n LEU 131 CO 0.55 1.21 0.30 -0.83 -1.33 0.00 0.00 177.39 177.29 2gj4 s GLY 132 N -0.17 0.47 -0.25 -0.72 0.00 -1.26 -1.24 107.32 104.15 2gj4 s GLY 132 Ca 0.36 -0.79 0.03 0.00 0.00 0.00 0.00 44.72 44.32 2gj4 s GLY 132 CO 0.00 -0.49 -0.20 0.70 0.00 0.00 0.00 173.10 173.11 2gj4 n ASN 133 N -0.67 1.85 0.00 1.64 3.02 -1.26 -4.49 115.26 115.35 2gj4 n ASN 133 Ca -0.03 -0.13 0.00 0.00 -0.03 0.00 0.00 54.58 54.40 2gj4 n ASN 133 Cb 0.61 -0.29 0.00 0.00 -0.61 0.00 0.00 39.78 39.49 2gj4 n ASN 133 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2gj4 n GLY 134 N 2.24 1.00 0.07 7.41 0.00 -1.26 -4.92 105.19 109.73 2gj4 n GLY 134 Ca -0.44 0.28 -0.11 0.00 0.00 0.00 0.00 46.02 45.75 2gj4 n GLY 134 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 2gj4 h GLY 135 N 0.00 0.12 1.00 -0.02 0.00 -1.99 -1.89 103.07 100.28 2gj4 h GLY 135 Ca 0.00 -0.03 -0.01 0.00 0.00 0.00 0.00 47.33 47.30 2gj4 h GLY 135 CO 0.00 0.02 0.36 -2.00 0.00 0.00 0.00 176.54 174.92 2gj4 h LEU 136 N 0.09 0.77 -0.60 3.11 6.46 -1.99 -0.33 115.31 122.82 2gj4 h LEU 136 Ca 0.04 -0.08 -0.14 0.00 -0.12 0.00 0.00 57.88 57.58 2gj4 h LEU 136 Cb 0.01 -0.20 -0.01 0.00 -0.73 0.00 0.00 40.66 39.74 2gj4 h LEU 136 CO -0.03 0.63 -0.40 1.23 -0.62 0.00 0.00 178.44 179.24 2gj4 h GLY 137 N 0.85 0.72 1.88 3.75 0.00 -1.79 -2.95 103.07 105.53 2gj4 h GLY 137 Ca 0.22 -0.72 -0.17 0.00 0.00 0.00 0.00 47.33 46.66 2gj4 h GLY 137 CO -0.04 0.65 -0.75 -0.09 0.00 0.00 0.00 176.54 176.31 2gj4 h ARG 138 N 0.54 0.11 -0.29 4.80 9.65 -1.14 -1.16 114.38 126.89 2gj4 h ARG 138 Ca 0.04 -0.10 0.01 0.00 -1.10 0.00 0.00 59.98 58.83 2gj4 h ARG 138 Cb 0.93 0.03 -0.02 0.00 -1.39 0.00 0.00 29.97 29.52 2gj4 h ARG 138 CO 0.08 0.81 0.17 1.25 2.80 0.00 0.00 179.97 185.08 2gj4 h LEU 139 N 0.07 0.27 -0.75 3.80 5.85 -1.01 -1.16 115.31 122.38 2gj4 h LEU 139 Ca -0.02 0.00 0.14 0.00 0.84 0.00 0.00 57.88 58.85 2gj4 h LEU 139 Cb 1.32 -0.06 -0.10 0.00 0.37 0.00 0.00 40.66 42.20 2gj4 h LEU 139 CO 0.11 0.20 0.29 0.00 -0.34 0.00 0.00 178.44 178.70 2gj4 h ALA 140 N 1.13 1.05 -0.33 1.25 0.00 -1.48 0.29 119.26 121.17 2gj4 h ALA 140 Ca 0.11 0.12 -0.06 0.00 0.00 0.00 0.00 54.91 55.08 2gj4 h ALA 140 Cb -0.00 0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.87 2gj4 h ALA 140 CO -0.05 -0.22 -0.02 0.00 0.00 0.00 0.00 179.25 178.96 2gj4 h ALA 141 N 1.55 0.45 -0.85 0.00 0.00 -1.33 -1.38 119.26 117.70 2gj4 h ALA 141 Ca 0.41 -0.25 -0.03 0.00 0.00 0.00 0.00 54.91 55.04 2gj4 h ALA 141 Cb 0.63 -0.12 -0.04 0.00 0.00 0.00 0.00 17.79 18.26 2gj4 h ALA 141 CO -0.41 0.23 0.43 0.00 0.00 0.00 0.00 179.25 179.50 2gj4 h PHE 143 N 1.20 0.97 -0.83 0.00 -1.00 -0.75 -1.38 116.94 115.15 2gj4 h PHE 143 Ca 0.29 -0.05 0.01 0.00 2.81 0.00 0.00 57.97 61.03 2gj4 h PHE 143 Cb 0.08 -0.30 -0.04 0.00 3.61 0.00 0.00 35.95 39.30 2gj4 h PHE 143 CO 0.01 0.73 0.54 -0.07 -1.61 0.00 0.00 178.31 177.91 2gj4 h LEU 144 N 0.94 0.96 -0.33 1.54 3.38 -1.07 -0.76 115.31 119.97 2gj4 h LEU 144 Ca 0.23 -0.03 -0.02 0.00 0.09 0.00 0.00 57.88 58.15 2gj4 h LEU 144 Cb 0.12 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 40.62 2gj4 h LEU 144 CO -0.03 0.71 0.14 -0.78 0.09 0.00 0.00 178.44 178.56 2gj4 h ASP 145 N 1.13 0.45 -0.30 -0.43 3.58 -1.27 -2.71 116.42 116.86 2gj4 h ASP 145 Ca 0.30 -0.16 -0.12 0.00 0.42 0.00 0.00 57.03 57.48 2gj4 h ASP 145 Cb -0.11 -0.12 -0.01 0.00 1.72 0.00 0.00 39.33 40.81 2gj4 h ASP 145 CO -0.06 0.48 -0.23 0.28 -2.88 0.00 0.00 179.24 176.83 2gj4 h SER 146 N 0.38 0.80 -0.29 2.28 0.02 -1.03 -2.41 113.55 113.30 2gj4 h SER 146 Ca 0.11 -0.29 -0.06 0.00 -0.84 0.00 0.00 61.79 60.71 2gj4 h SER 146 Cb 0.17 -0.22 -0.02 0.00 0.14 0.00 0.00 62.40 62.47 2gj4 h SER 146 CO -0.01 1.00 -0.01 0.24 -1.14 0.00 0.00 176.83 176.91 2gj4 h MET 147 N 0.68 0.63 -0.30 3.45 2.86 -1.07 -0.66 114.93 120.53 2gj4 h MET 147 Ca 0.09 -0.15 -0.14 0.00 -2.06 0.00 0.00 59.70 57.45 2gj4 h MET 147 Cb 0.74 -0.08 -0.00 0.00 0.06 0.00 0.00 31.60 32.31 2gj4 h MET 147 CO 0.06 0.66 -0.34 0.00 1.06 0.00 0.00 176.91 178.34 2gj4 h ALA 148 N 1.40 0.45 0.00 6.32 0.00 -1.43 -1.20 119.26 124.80 2gj4 h ALA 148 Ca 0.12 -0.43 -0.07 0.00 0.00 0.00 0.00 54.91 54.54 2gj4 h ALA 148 Cb 0.39 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.08 2gj4 h ALA 148 CO 0.01 0.51 -0.33 1.15 0.00 0.00 0.00 179.25 180.60 2gj4 h THR 149 N 0.52 1.16 -0.52 0.00 2.02 -1.09 -2.36 112.91 112.64 2gj4 h THR 149 Ca 0.04 -1.14 0.00 0.00 0.77 0.00 0.00 66.41 66.08 2gj4 h THR 149 Cb 0.92 1.63 0.00 0.00 -1.74 0.00 0.00 68.15 68.96 2gj4 h THR 149 CO 0.08 0.32 0.00 0.18 0.37 0.00 0.00 175.52 176.47 2gj4 n LEU 150 N -4.04 4.14 -1.72 2.58 4.32 -0.28 -4.50 117.00 117.50 2gj4 n LEU 150 Ca -0.02 -2.09 -0.17 0.00 -0.02 0.00 0.00 56.01 53.71 2gj4 n LEU 150 Cb 0.38 -0.55 -0.03 0.00 -1.62 0.00 0.00 43.42 41.60 2gj4 n LEU 150 CO 0.38 0.65 -0.20 0.61 -1.22 0.00 0.00 177.39 177.61 2gj4 n GLY 151 N 0.90 0.39 3.79 -0.72 0.00 -0.89 -0.84 105.19 107.82 2gj4 n GLY 151 Ca 0.21 -0.18 -0.38 0.00 0.00 0.00 0.00 46.02 45.67 2gj4 n GLY 151 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2gj4 s LEU 152 N -4.56 4.49 -1.36 0.99 1.43 -0.47 -4.77 118.68 114.43 2gj4 s LEU 152 Ca 0.00 1.59 -0.16 0.00 -1.03 0.00 0.00 54.13 54.53 2gj4 s LEU 152 Cb 0.00 -3.46 0.07 0.00 0.03 0.00 0.00 46.19 42.82 2gj4 s LEU 152 CO 0.00 0.12 1.93 0.00 0.23 0.00 0.00 176.35 178.63 2gj4 n ALA 153 N 1.20 4.45 -2.41 4.21 0.00 -1.26 -4.68 120.51 122.02 2gj4 n ALA 153 Ca -0.04 -3.90 -0.30 0.00 0.00 0.00 0.00 53.44 49.20 2gj4 n ALA 153 Cb 0.50 -3.52 -0.13 0.00 0.00 0.00 0.00 19.45 16.29 2gj4 n ALA 153 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2gj4 s ALA 154 N 3.50 2.44 -0.06 0.00 0.00 -1.26 -1.49 121.76 124.88 2gj4 s ALA 154 Ca 0.50 -1.27 0.01 0.00 0.00 0.00 0.00 51.96 51.20 2gj4 s ALA 154 Cb 0.08 -0.58 0.02 0.00 0.00 0.00 0.00 23.12 22.63 2gj4 s ALA 154 CO 0.00 0.56 -0.08 0.71 0.00 0.00 0.00 175.76 176.95 2gj4 s TYR 155 N -0.91 1.10 -0.03 0.00 1.51 0.29 -4.09 117.35 115.21 2gj4 s TYR 155 Ca 0.14 -0.39 -0.23 0.00 -1.01 0.00 0.00 57.07 55.59 2gj4 s TYR 155 Cb -0.10 -0.88 -0.05 0.00 -0.11 0.00 0.00 41.96 40.82 2gj4 s TYR 155 CO 0.04 -0.26 0.67 0.20 -1.11 0.00 0.00 175.55 175.09 2gj4 s GLY 156 N 0.93 2.64 -0.12 0.71 0.00 -0.93 -1.18 107.32 109.37 2gj4 s GLY 156 Ca -0.10 0.11 0.02 0.00 0.00 0.00 0.00 44.72 44.74 2gj4 s GLY 156 CO 0.01 1.01 -0.16 -0.19 0.00 0.00 0.00 173.10 173.77 2gj4 s TYR 157 N 0.33 2.09 0.00 1.90 2.02 -0.62 -0.28 117.35 122.78 2gj4 s TYR 157 Ca 0.35 -1.03 0.00 0.00 -0.37 0.00 0.00 57.07 56.02 2gj4 s TYR 157 Cb -0.18 -1.50 0.00 0.00 -0.40 0.00 0.00 41.96 39.88 2gj4 s TYR 157 CO 0.18 -0.53 0.00 0.41 -1.57 0.00 0.00 175.55 174.04 2gj4 n GLY 158 N 4.30 3.52 3.17 0.71 0.00 -0.88 -2.06 105.19 113.96 2gj4 n GLY 158 Ca -0.19 -0.77 -0.28 0.00 0.00 0.00 0.00 46.02 44.78 2gj4 n GLY 158 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 2gj4 s ILE 159 N -1.95 1.64 -1.07 -0.61 2.07 -1.26 -1.30 121.20 118.72 2gj4 s ILE 159 Ca 0.00 -0.82 -0.20 0.00 -1.41 0.00 0.00 60.65 58.22 2gj4 s ILE 159 Cb 0.00 -1.41 0.10 0.00 0.13 0.00 0.00 42.46 41.28 2gj4 s ILE 159 CO 0.00 0.47 1.40 -0.60 -1.91 0.00 0.00 174.94 174.29 2gj4 s ARG 160 N 0.06 3.73 0.21 3.50 3.52 -0.40 -4.76 118.95 124.80 2gj4 s ARG 160 Ca -0.06 -1.67 -0.30 0.00 -0.13 0.00 0.00 55.73 53.56 2gj4 s ARG 160 Cb -0.13 -5.21 -0.10 0.00 -1.56 0.00 0.00 34.95 27.95 2gj4 s ARG 160 CO 0.03 -2.02 1.44 0.71 -0.81 0.00 0.00 175.30 174.66 2gj4 s TYR 161 N 3.66 3.09 0.31 5.12 2.02 -1.26 -4.74 117.35 125.55 2gj4 s TYR 161 Ca 0.43 0.96 0.03 0.00 -0.37 0.00 0.00 57.07 58.12 2gj4 s TYR 161 Cb -0.01 -3.80 0.50 0.00 -0.40 0.00 0.00 41.96 38.25 2gj4 s TYR 161 CO -0.05 -2.69 1.79 1.49 -1.57 0.00 0.00 175.55 174.52 2gj4 h GLU 162 N 5.68 0.51 -4.69 -0.62 4.81 -0.93 -3.41 114.58 115.93 2gj4 h GLU 162 Ca -0.45 -0.15 -0.59 0.00 -0.13 0.00 0.00 59.36 58.04 2gj4 h GLU 162 Cb 1.21 -0.05 -0.35 0.00 0.63 0.00 0.00 28.75 30.19 2gj4 h GLU 162 CO 0.82 0.63 -0.83 -0.06 -0.73 0.00 0.00 179.01 178.84 2gj4 s PHE 163 N -4.72 2.04 0.00 0.92 0.08 -0.03 -4.27 117.98 112.00 2gj4 s PHE 163 Ca -0.07 -1.05 0.00 0.00 0.12 0.00 0.00 56.93 55.92 2gj4 s PHE 163 Cb 0.15 -1.50 0.00 0.00 -0.57 0.00 0.00 43.02 41.10 2gj4 s PHE 163 CO 0.78 -0.57 0.00 0.41 -0.10 0.00 0.00 175.22 175.74 2gj4 n GLY 164 N 4.50 -0.23 3.74 4.36 0.00 -1.21 -1.91 105.19 114.43 2gj4 n GLY 164 Ca -0.18 -1.65 -0.42 0.00 0.00 0.00 0.00 46.02 43.78 2gj4 n GLY 164 CO 0.00 0.00 0.00 4.51 0.00 0.00 0.00 173.32 177.83 2gj4 n ILE 165 N 0.00 1.12 -1.67 -0.61 0.13 -0.25 -4.50 119.36 113.58 2gj4 n ILE 165 Ca 0.00 -0.28 -0.39 0.00 -1.10 0.00 0.00 62.75 60.98 2gj4 n ILE 165 Cb 0.00 -1.93 0.04 0.00 -0.84 0.00 0.00 39.64 36.90 2gj4 n ILE 165 CO 0.00 0.00 0.00 2.22 2.80 0.00 0.00 176.55 181.57 2gj4 n PHE 166 N 1.96 1.59 -2.54 9.51 1.16 -1.26 -4.63 117.46 123.25 2gj4 n PHE 166 Ca 0.08 0.46 -0.42 0.00 -1.87 0.00 0.00 57.45 55.70 2gj4 n PHE 166 Cb 0.37 -2.27 -0.03 0.00 -1.61 0.00 0.00 39.48 35.94 2gj4 n PHE 166 CO 0.00 0.00 0.00 -0.80 -1.87 0.00 0.00 176.76 174.09 2gj4 s ASN 167 N -0.95 7.13 -0.21 5.98 0.01 -0.36 -4.89 114.94 121.64 2gj4 s ASN 167 Ca 0.70 1.74 -0.17 0.00 -0.71 0.00 0.00 52.86 54.42 2gj4 s ASN 167 Cb -0.45 -2.56 -0.03 0.00 0.41 0.00 0.00 41.25 38.61 2gj4 s ASN 167 CO 0.51 -0.52 0.47 -1.58 -1.51 0.00 0.00 177.10 174.46 2gj4 s GLN 168 N 2.01 4.16 0.07 -0.60 0.74 -1.26 -1.35 119.66 123.44 2gj4 s GLN 168 Ca 0.54 0.31 0.05 0.00 0.05 0.00 0.00 55.36 56.31 2gj4 s GLN 168 Cb -0.23 -3.56 -0.04 0.00 1.10 0.00 0.00 33.01 30.28 2gj4 s GLN 168 CO 0.22 -0.13 -0.07 0.15 -0.55 0.00 0.00 175.29 174.91 2gj4 s LYS 169 N 1.59 2.34 -0.25 1.67 1.02 -0.49 -3.94 119.74 121.68 2gj4 s LYS 169 Ca 0.21 -0.90 -0.06 0.00 0.02 0.00 0.00 55.97 55.25 2gj4 s LYS 169 Cb -0.15 -2.41 -0.01 0.00 -0.52 0.00 0.00 37.83 34.74 2gj4 s LYS 169 CO 0.09 0.54 0.02 0.42 -0.92 0.00 0.00 175.35 175.50 2gj4 s ILE 170 N -1.18 3.79 -0.10 2.17 -1.09 -1.26 -0.16 121.20 123.38 2gj4 s ILE 170 Ca 0.21 -0.47 -0.00 0.00 -2.23 0.00 0.00 60.65 58.16 2gj4 s ILE 170 Cb -0.11 -2.81 0.02 0.00 -1.58 0.00 0.00 42.46 37.98 2gj4 s ILE 170 CO 0.13 0.30 -0.07 0.00 -1.23 0.00 0.00 174.94 174.07 2gj4 n GLY 172 N 4.82 0.09 2.37 0.00 0.00 -1.26 -2.00 105.19 109.21 2gj4 n GLY 172 Ca -0.13 -0.22 0.00 0.00 0.00 0.00 0.00 46.02 45.67 2gj4 n GLY 172 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2gj4 n GLY 173 N -1.01 1.34 3.67 -0.02 0.00 -1.26 -5.05 105.19 102.85 2gj4 n GLY 173 Ca -0.18 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.52 2gj4 n GLY 173 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 2gj4 s TRP 174 N -3.34 3.00 0.17 1.61 0.52 -0.85 -3.90 118.94 116.14 2gj4 s TRP 174 Ca 0.00 0.01 -0.31 0.00 0.02 0.00 0.00 56.10 55.82 2gj4 s TRP 174 Cb 0.00 -1.60 -0.09 0.00 -1.15 0.00 0.00 33.47 30.63 2gj4 s TRP 174 CO 0.00 0.45 1.44 -1.14 0.02 0.00 0.00 176.95 177.72 2gj4 s GLN 175 N -1.86 4.29 0.01 4.98 0.74 -1.26 -0.98 119.66 125.58 2gj4 s GLN 175 Ca 0.22 2.20 0.08 0.00 0.05 0.00 0.00 55.36 57.91 2gj4 s GLN 175 Cb -0.11 -3.18 -0.03 0.00 1.10 0.00 0.00 33.01 30.79 2gj4 s GLN 175 CO 0.13 -0.45 -0.23 -1.64 -0.55 0.00 0.00 175.29 172.55 2gj4 s MET 176 N 0.57 2.04 -0.12 1.67 -1.94 0.78 -4.92 119.30 117.38 2gj4 s MET 176 Ca 0.64 -0.97 -0.03 0.00 -1.71 0.00 0.00 55.69 53.61 2gj4 s MET 176 Cb -0.40 -2.10 -0.03 0.00 2.01 0.00 0.00 34.83 34.31 2gj4 s MET 176 CO 0.35 0.55 -0.01 -1.21 -0.01 0.00 0.00 175.02 174.68 2gj4 s GLU 177 N -1.03 3.36 0.08 2.03 8.01 -1.26 -1.40 118.70 128.49 2gj4 s GLU 177 Ca 0.12 -0.46 0.06 0.00 0.01 0.00 0.00 54.97 54.70 2gj4 s GLU 177 Cb -0.10 -2.87 -0.03 0.00 -4.31 0.00 0.00 34.13 26.82 2gj4 s GLU 177 CO 0.02 0.46 -0.17 -1.21 0.01 0.00 0.00 175.26 174.37 2gj4 s GLU 178 N -0.23 0.97 0.28 1.61 2.02 -0.46 -5.00 118.70 117.91 2gj4 s GLU 178 Ca 0.05 -1.03 -0.30 0.00 0.02 0.00 0.00 54.97 53.72 2gj4 s GLU 178 Cb -0.13 -1.09 -0.10 0.00 0.10 0.00 0.00 34.13 32.91 2gj4 s GLU 178 CO 0.02 0.25 1.45 0.00 0.02 0.00 0.00 175.26 177.01 2gj4 s ALA 179 N -1.18 3.63 -1.06 5.21 0.00 -1.26 -1.22 121.76 125.88 2gj4 s ALA 179 Ca 0.02 1.39 -0.14 0.00 0.00 0.00 0.00 51.96 53.23 2gj4 s ALA 179 Cb -0.10 -3.57 0.20 0.00 0.00 0.00 0.00 23.12 19.65 2gj4 s ALA 179 CO 0.03 -0.81 1.17 0.34 0.00 0.00 0.00 175.76 176.49 2gj4 s ASP 180 N 0.21 6.98 -1.50 0.00 2.15 -1.26 -4.65 116.67 118.60 2gj4 s ASP 180 Ca 0.58 -2.87 -0.10 0.00 0.43 0.00 0.00 52.55 50.59 2gj4 s ASP 180 Cb -0.43 -2.32 0.01 0.00 -0.30 0.00 0.00 42.92 39.87 2gj4 s ASP 180 CO 0.48 -0.68 2.59 -0.67 -0.17 0.00 0.00 175.17 176.72 2gj4 n ASP 181 N 4.85 7.29 0.27 -0.34 2.03 -1.26 -3.34 116.55 126.04 2gj4 n ASP 181 Ca 0.27 -2.80 0.15 0.00 0.52 0.00 0.00 54.79 52.93 2gj4 n ASP 181 Cb 0.44 -1.53 0.66 0.00 -0.72 0.00 0.00 41.12 39.98 2gj4 n ASP 181 CO 0.00 0.00 0.00 4.11 -1.92 0.00 0.00 177.20 179.39 2gj4 h TRP 182 N 5.18 0.00 -0.31 -0.67 5.08 -1.92 -2.84 115.95 120.47 2gj4 h TRP 182 Ca 0.73 0.00 0.00 0.00 1.08 0.00 0.00 58.89 60.70 2gj4 h TRP 182 Cb 0.39 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 26.55 2gj4 h TRP 182 CO 1.68 0.08 0.00 1.28 -1.28 0.00 0.00 178.44 180.20 2gj4 n LEU 183 N -3.24 2.78 -0.37 0.11 4.77 -1.26 -4.63 117.00 115.16 2gj4 n LEU 183 Ca -0.00 -1.19 0.04 0.00 -0.03 0.00 0.00 56.01 54.83 2gj4 n LEU 183 Cb 0.32 -0.20 0.20 0.00 -2.33 0.00 0.00 43.42 41.41 2gj4 n LEU 183 CO 0.29 0.60 1.25 -0.09 -1.33 0.00 0.00 177.39 178.10 2gj4 h ARG 184 N 3.60 1.06 -0.13 3.23 2.43 -1.89 -1.68 114.38 121.00 2gj4 h ARG 184 Ca 0.00 -0.06 0.00 0.00 -0.81 0.00 0.00 59.98 59.11 2gj4 h ARG 184 Cb 0.79 -0.24 0.00 0.00 -0.42 0.00 0.00 29.97 30.10 2gj4 h ARG 184 CO 0.00 0.70 0.00 0.66 -1.51 0.00 0.00 179.97 179.82 2gj4 n TYR 185 N -4.56 0.15 0.00 2.20 4.01 -1.26 -5.06 117.16 112.64 2gj4 n TYR 185 Ca 0.17 -0.08 0.00 0.00 -0.16 0.00 0.00 57.90 57.83 2gj4 n TYR 185 Cb 0.26 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.29 2gj4 n TYR 185 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 2gj4 n GLY 186 N 1.30 1.95 3.05 2.72 0.00 -0.63 -5.02 105.19 108.56 2gj4 n GLY 186 Ca 0.17 -1.68 -0.32 0.00 0.00 0.00 0.00 46.02 44.19 2gj4 n GLY 186 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 2gj4 s ASN 187 N -0.13 4.73 0.58 1.61 2.47 -1.26 -4.94 114.94 118.00 2gj4 s ASN 187 Ca 0.00 -1.92 0.33 0.00 0.42 0.00 0.00 52.86 51.69 2gj4 s ASN 187 Cb 0.00 -1.63 1.80 0.00 -1.45 0.00 0.00 41.25 39.97 2gj4 s ASN 187 CO 0.00 -0.34 2.20 -0.65 -3.72 0.00 0.00 177.10 174.59 2gj4 h PRO 188 N 7.70 0.00 -0.61 0.43 0.11 -1.99 -3.17 132.00 134.47 2gj4 h PRO 188 Ca -0.09 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.02 2gj4 h PRO 188 Cb 1.03 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.14 2gj4 h PRO 188 CO 0.52 0.04 0.00 0.91 -0.21 0.00 0.00 178.00 179.26 2gj4 n TRP 189 N -3.52 1.01 -4.50 0.65 7.02 -1.26 -4.82 117.44 112.02 2gj4 n TRP 189 Ca -0.02 -0.40 -0.26 0.00 -1.02 0.00 0.00 57.50 55.80 2gj4 n TRP 189 Cb 0.16 -0.19 -0.13 0.00 -2.42 0.00 0.00 31.31 28.72 2gj4 n TRP 189 CO 0.00 0.00 0.00 -1.83 -2.02 0.00 0.00 177.69 173.84 2gj4 s GLU 190 N -1.76 1.34 -0.22 -0.99 -1.05 -1.20 -4.32 118.70 110.50 2gj4 s GLU 190 Ca 0.34 -1.11 0.01 0.00 -0.15 0.00 0.00 54.97 54.06 2gj4 s GLU 190 Cb 0.22 -1.58 0.05 0.00 -0.44 0.00 0.00 34.13 32.38 2gj4 s GLU 190 CO 0.16 0.39 -0.09 0.21 0.95 0.00 0.00 175.26 176.88 2gj4 s LYS 191 N -1.59 1.97 0.46 -4.83 2.47 0.82 -4.94 119.74 114.10 2gj4 s LYS 191 Ca 0.09 -1.00 -0.25 0.00 -1.56 0.00 0.00 55.97 53.25 2gj4 s LYS 191 Cb -0.10 -2.58 -0.08 0.00 -1.46 0.00 0.00 37.83 33.61 2gj4 s LYS 191 CO 0.03 -0.51 1.43 0.00 0.16 0.00 0.00 175.35 176.47 2gj4 n ALA 192 N 4.62 2.02 -3.63 3.13 0.00 -1.26 -0.90 120.51 124.49 2gj4 n ALA 192 Ca -0.14 0.23 -0.27 0.00 0.00 0.00 0.00 53.44 53.26 2gj4 n ALA 192 Cb 0.45 -2.39 -0.11 0.00 0.00 0.00 0.00 19.45 17.40 2gj4 n ALA 192 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 2gj4 n ARG 193 N -0.29 1.33 -0.28 0.00 5.12 -0.48 -4.89 116.66 117.16 2gj4 n ARG 193 Ca 0.06 -4.01 0.08 0.00 -1.93 0.00 0.00 57.85 52.05 2gj4 n ARG 193 Cb 0.42 -2.01 0.23 0.00 -1.16 0.00 0.00 32.46 29.94 2gj4 n ARG 193 CO 0.00 0.00 0.00 -1.35 -1.93 0.00 0.00 177.63 174.35 2gj4 h PRO 194 N 5.20 0.40 0.00 5.56 0.11 -1.94 -2.24 132.00 139.10 2gj4 h PRO 194 Ca 0.19 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 66.27 2gj4 h PRO 194 Cb 0.80 -0.09 0.00 0.00 0.11 0.00 0.00 31.00 31.82 2gj4 h PRO 194 CO 0.61 0.27 0.00 -0.85 -0.21 0.00 0.00 178.00 177.81 2gj4 n GLU 195 N -5.03 0.04 -0.29 1.05 0.00 -1.26 -2.41 120.64 112.73 2gj4 n GLU 195 Ca 0.17 0.29 0.07 0.00 0.00 0.00 0.00 57.16 57.69 2gj4 n GLU 195 Cb 0.51 -1.50 0.21 0.00 0.00 0.00 0.00 31.44 30.65 2gj4 n GLU 195 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.13 178.32 2gj4 n PHE 196 N -1.44 0.70 -1.94 -1.84 3.72 -0.84 -5.02 117.46 110.80 2gj4 n PHE 196 Ca 0.03 -0.62 -0.41 0.00 -0.05 0.00 0.00 57.45 56.41 2gj4 n PHE 196 Cb 0.11 -0.13 -0.01 0.00 -0.94 0.00 0.00 39.48 38.51 2gj4 n PHE 196 CO 0.00 0.00 0.00 0.99 -0.05 0.00 0.00 176.76 177.70 2gj4 s THR 197 N -1.59 2.37 0.06 4.37 2.01 -1.01 -4.67 115.64 117.18 2gj4 s THR 197 Ca 0.32 0.36 0.02 0.00 0.31 0.00 0.00 61.69 62.70 2gj4 s THR 197 Cb 0.20 -3.23 -0.03 0.00 0.01 0.00 0.00 72.50 69.45 2gj4 s THR 197 CO 0.15 0.08 -0.07 -0.76 -0.69 0.00 0.00 174.62 173.33 2gj4 s LEU 198 N -1.64 2.33 0.05 4.42 1.43 -0.71 -4.97 118.68 119.59 2gj4 s LEU 198 Ca 0.53 -0.69 -0.20 0.00 -1.03 0.00 0.00 54.13 52.75 2gj4 s LEU 198 Cb -0.44 -0.13 -0.06 0.00 0.03 0.00 0.00 46.19 45.59 2gj4 s LEU 198 CO 0.56 -0.29 0.58 -2.16 0.23 0.00 0.00 176.35 175.27 2gj4 s PRO 199 N -2.25 4.25 -0.01 1.29 0.04 -1.26 0.02 135.00 137.08 2gj4 s PRO 199 Ca -0.04 0.75 0.06 0.00 0.04 0.00 0.00 61.00 61.81 2gj4 s PRO 199 Cb -0.05 -3.27 -0.03 0.00 0.04 0.00 0.00 34.50 31.19 2gj4 s PRO 199 CO -0.01 0.55 -0.18 0.08 0.04 0.00 0.00 177.00 177.47 2gj4 s VAL 200 N -0.81 2.75 -0.05 -0.36 1.01 0.23 -4.91 120.40 118.27 2gj4 s VAL 200 Ca 0.30 -0.98 0.01 0.00 0.00 0.00 0.00 61.98 61.31 2gj4 s VAL 200 Cb -0.19 -2.09 -0.03 0.00 0.00 0.00 0.00 36.38 34.07 2gj4 s VAL 200 CO 0.19 0.49 -0.07 -1.00 0.00 0.00 0.00 175.10 174.71 2gj4 s HIS 201 N -0.78 2.92 0.08 5.22 3.76 -1.26 -1.06 115.29 124.16 2gj4 s HIS 201 Ca 0.12 0.01 0.03 0.00 -0.15 0.00 0.00 55.06 55.07 2gj4 s HIS 201 Cb -0.10 -1.69 -0.03 0.00 1.11 0.00 0.00 32.58 31.87 2gj4 s HIS 201 CO 0.02 0.34 -0.09 -0.06 -0.85 0.00 0.00 174.74 174.10 2gj4 s PHE 202 N -0.85 0.90 0.00 1.40 0.08 -0.06 -4.96 117.98 114.49 2gj4 s PHE 202 Ca 0.13 -0.65 0.00 0.00 0.12 0.00 0.00 56.93 56.54 2gj4 s PHE 202 Cb -0.11 -0.51 0.00 0.00 -0.57 0.00 0.00 43.02 41.83 2gj4 s PHE 202 CO 0.03 -0.06 0.00 0.66 -0.10 0.00 0.00 175.22 175.75 2gj4 n TYR 203 N 0.77 0.00 -4.14 0.36 4.01 0.17 -0.52 117.16 117.82 2gj4 n TYR 203 Ca -0.18 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.56 2gj4 n TYR 203 Cb 0.57 0.02 0.00 0.00 -0.31 0.00 0.00 39.34 39.63 2gj4 n TYR 203 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 2gj4 n GLY 204 N 0.00 -0.78 3.65 2.72 0.00 -1.25 -4.60 105.19 104.93 2gj4 n GLY 204 Ca 0.00 -1.16 -0.09 0.00 0.00 0.00 0.00 46.02 44.76 2gj4 n GLY 204 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 2gj4 s ARG 205 N 0.00 1.52 -0.15 1.61 1.70 -0.59 -4.88 118.95 118.15 2gj4 s ARG 205 Ca 0.00 -0.73 -0.07 0.00 -0.47 0.00 0.00 55.73 54.47 2gj4 s ARG 205 Cb 0.00 0.59 -0.04 0.00 -0.57 0.00 0.00 34.95 34.93 2gj4 s ARG 205 CO 0.00 -0.68 0.08 0.08 -1.08 0.00 0.00 175.30 173.70 2gj4 s VAL 206 N -3.80 4.94 0.33 4.99 1.01 -1.26 -1.39 120.40 125.22 2gj4 s VAL 206 Ca 0.06 0.01 0.03 0.00 0.00 0.00 0.00 61.98 62.09 2gj4 s VAL 206 Cb -0.03 -3.19 -0.04 0.00 0.00 0.00 0.00 36.38 33.11 2gj4 s VAL 206 CO -0.03 0.52 0.11 -1.83 0.00 0.00 0.00 175.10 173.88 2gj4 s GLU 207 N -0.18 1.67 -0.09 2.72 -1.05 -0.26 -4.96 118.70 116.55 2gj4 s GLU 207 Ca 0.08 -1.96 0.01 0.00 -0.15 0.00 0.00 54.97 52.95 2gj4 s GLU 207 Cb -0.12 -0.46 0.02 0.00 -0.44 0.00 0.00 34.13 33.13 2gj4 s GLU 207 CO 0.01 -0.37 -0.11 -1.01 0.95 0.00 0.00 175.26 174.74 2gj4 s HIS 208 N -3.44 1.51 0.00 4.83 3.76 -1.26 -0.06 115.29 120.63 2gj4 s HIS 208 Ca 0.33 -0.66 0.00 0.00 -0.15 0.00 0.00 55.06 54.58 2gj4 s HIS 208 Cb 0.06 -1.17 0.00 0.00 1.11 0.00 0.00 32.58 32.58 2gj4 s HIS 208 CO 0.15 -0.40 0.00 0.25 -0.85 0.00 0.00 174.74 173.90 2gj4 n THR 209 N 4.33 0.00 0.27 1.30 -2.24 -0.20 -4.96 114.28 112.78 2gj4 n THR 209 Ca -0.18 0.00 0.13 0.00 -2.27 0.00 0.00 64.05 61.73 2gj4 n THR 209 Cb 0.51 -0.80 0.78 0.00 -2.10 0.00 0.00 70.33 68.72 2gj4 n THR 209 CO 0.00 0.00 0.00 0.77 -0.57 0.00 0.00 175.07 175.27 2gj4 h SER 210 N 0.00 0.00 0.33 3.42 4.64 -2.02 -3.27 113.55 116.65 2gj4 h SER 210 Ca 0.00 0.00 -0.14 0.00 -0.47 0.00 0.00 61.79 61.18 2gj4 h SER 210 Cb 0.00 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 62.06 2gj4 h SER 210 CO 0.00 0.08 -1.80 0.00 -0.87 0.00 0.00 176.83 174.24 2gj4 n GLN 211 N -3.80 0.65 -0.19 4.77 6.02 -1.26 -5.10 117.38 118.47 2gj4 n GLN 211 Ca -0.02 0.01 0.00 0.00 -0.01 0.00 0.00 57.00 56.98 2gj4 n GLN 211 Cb 0.17 -1.64 0.00 0.00 1.02 0.00 0.00 30.24 29.79 2gj4 n GLN 211 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2gj4 n GLY 212 N 1.41 0.49 3.79 1.08 0.00 -1.23 -5.12 105.19 105.60 2gj4 n GLY 212 Ca -0.12 -1.46 -0.35 0.00 0.00 0.00 0.00 46.02 44.08 2gj4 n GLY 212 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2gj4 s ALA 213 N -1.00 2.94 -0.04 4.61 0.00 -1.26 -1.03 121.76 125.98 2gj4 s ALA 213 Ca 0.00 0.69 -0.01 0.00 0.00 0.00 0.00 51.96 52.64 2gj4 s ALA 213 Cb 0.00 -3.28 0.03 0.00 0.00 0.00 0.00 23.12 19.87 2gj4 s ALA 213 CO 0.00 -0.34 0.07 0.21 0.00 0.00 0.00 175.76 175.70 2gj4 s LYS 214 N -2.93 -0.00 -0.39 0.00 2.20 0.92 -4.88 119.74 114.66 2gj4 s LYS 214 Ca 0.64 0.27 -0.18 0.00 -0.36 0.00 0.00 55.97 56.34 2gj4 s LYS 214 Cb -0.20 -0.25 0.01 0.00 -1.51 0.00 0.00 37.83 35.88 2gj4 s LYS 214 CO 0.24 -0.18 0.51 -0.46 -0.36 0.00 0.00 175.35 175.10 2gj4 s TRP 215 N 1.22 3.16 0.29 4.03 -0.00 -1.26 -1.10 118.94 125.27 2gj4 s TRP 215 Ca -0.08 -0.04 0.05 0.00 -0.00 0.00 0.00 56.10 56.03 2gj4 s TRP 215 Cb -0.12 -2.98 -0.06 0.00 -0.00 0.00 0.00 33.47 30.30 2gj4 s TRP 215 CO -0.04 -0.64 -0.00 0.14 -0.00 0.00 0.00 176.95 176.40 2gj4 s VAL 216 N 2.38 1.35 -1.58 5.86 -7.23 -0.49 -4.84 120.40 115.86 2gj4 s VAL 216 Ca 0.17 -2.06 -0.03 0.00 -1.81 0.00 0.00 61.98 58.25 2gj4 s VAL 216 Cb -0.16 -2.55 0.00 0.00 0.56 0.00 0.00 36.38 34.23 2gj4 s VAL 216 CO 0.14 -0.20 0.40 0.47 -0.31 0.00 0.00 175.10 175.60 2gj4 n ASP 217 N -0.59 -5.91 -4.90 4.85 8.00 -1.26 -1.55 116.55 115.20 2gj4 n ASP 217 Ca -0.04 -0.19 -0.29 0.00 0.71 0.00 0.00 54.79 54.98 2gj4 n ASP 217 Cb 0.65 -4.79 0.03 0.00 -0.02 0.00 0.00 41.12 36.98 2gj4 n ASP 217 CO 0.00 0.00 0.00 0.42 -0.39 0.00 0.00 177.20 177.23 2gj4 s THR 218 N -3.11 4.03 -0.15 -3.53 -4.23 -1.26 -3.78 115.64 103.61 2gj4 s THR 218 Ca 0.20 0.33 -0.13 0.00 -1.18 0.00 0.00 61.69 60.91 2gj4 s THR 218 Cb -0.09 -3.61 -0.05 0.00 1.34 0.00 0.00 72.50 70.09 2gj4 s THR 218 CO 0.24 -0.71 0.28 -1.10 -0.54 0.00 0.00 174.62 172.79 2gj4 s GLN 219 N -5.08 4.16 -0.12 3.99 -0.21 0.33 -4.90 119.66 117.82 2gj4 s GLN 219 Ca 0.54 0.08 -0.09 0.00 0.02 0.00 0.00 55.36 55.91 2gj4 s GLN 219 Cb -0.11 -3.39 -0.04 0.00 1.00 0.00 0.00 33.01 30.47 2gj4 s GLN 219 CO 0.49 0.32 0.19 0.08 -2.12 0.00 0.00 175.29 174.24 2gj4 s VAL 220 N 0.23 5.41 -0.08 1.09 1.01 -1.26 -0.88 120.40 125.92 2gj4 s VAL 220 Ca 0.16 0.32 0.03 0.00 0.00 0.00 0.00 61.98 62.49 2gj4 s VAL 220 Cb -0.13 -3.47 0.01 0.00 0.00 0.00 0.00 36.38 32.79 2gj4 s VAL 220 CO 0.04 0.56 -0.15 -0.69 0.00 0.00 0.00 175.10 174.86 2gj4 s VAL 221 N -0.66 1.38 0.32 2.92 1.01 -0.23 -4.48 120.40 120.66 2gj4 s VAL 221 Ca 0.15 -0.62 -0.26 0.00 0.00 0.00 0.00 61.98 61.25 2gj4 s VAL 221 Cb -0.13 -1.24 -0.10 0.00 0.00 0.00 0.00 36.38 34.91 2gj4 s VAL 221 CO 0.04 0.41 0.97 -0.76 0.00 0.00 0.00 175.10 175.76 2gj4 s LEU 222 N 0.64 4.35 -0.30 3.92 1.43 -0.14 -0.60 118.68 127.99 2gj4 s LEU 222 Ca -0.14 1.91 -0.03 0.00 -1.03 0.00 0.00 54.13 54.83 2gj4 s LEU 222 Cb -0.16 -3.98 0.04 0.00 0.03 0.00 0.00 46.19 42.12 2gj4 s LEU 222 CO 0.04 -0.11 0.02 0.00 0.23 0.00 0.00 176.35 176.53 2gj4 s ALA 223 N -1.55 2.87 -0.25 4.21 0.00 0.10 -1.25 121.76 125.89 2gj4 s ALA 223 Ca 0.50 -1.69 -0.12 0.00 0.00 0.00 0.00 51.96 50.65 2gj4 s ALA 223 Cb -0.21 -1.99 -0.05 0.00 0.00 0.00 0.00 23.12 20.87 2gj4 s ALA 223 CO 0.26 -1.20 0.21 1.41 0.00 0.00 0.00 175.76 176.45 2gj4 s MET 224 N 1.31 4.03 0.20 0.00 1.75 -0.34 -1.74 119.30 124.52 2gj4 s MET 224 Ca -0.03 -0.21 -0.20 0.00 -1.25 0.00 0.00 55.69 54.00 2gj4 s MET 224 Cb -0.19 -3.59 -0.08 0.00 2.84 0.00 0.00 34.83 33.81 2gj4 s MET 224 CO -0.00 -0.07 0.70 -1.25 -0.65 0.00 0.00 175.02 173.75 2gj4 s PRO 225 N 1.43 4.26 -0.13 4.11 0.04 -1.26 -0.93 135.00 142.51 2gj4 s PRO 225 Ca 0.09 0.86 0.02 0.00 0.04 0.00 0.00 61.00 62.01 2gj4 s PRO 225 Cb -0.15 -2.94 0.01 0.00 0.04 0.00 0.00 34.50 31.46 2gj4 s PRO 225 CO 0.08 0.44 -0.19 0.71 0.04 0.00 0.00 177.00 178.07 2gj4 s TYR 226 N -1.45 2.40 -0.17 0.56 1.51 0.10 -1.38 117.35 118.91 2gj4 s TYR 226 Ca 0.41 -1.21 -0.08 0.00 -1.01 0.00 0.00 57.07 55.17 2gj4 s TYR 226 Cb -0.17 -1.67 -0.04 0.00 -0.11 0.00 0.00 41.96 39.96 2gj4 s TYR 226 CO 0.21 -0.58 0.11 -0.51 -1.11 0.00 0.00 175.55 173.67 2gj4 s ASP 227 N 0.96 6.07 -0.08 2.29 1.01 -0.08 -1.25 116.67 125.59 2gj4 s ASP 227 Ca -0.05 0.25 0.05 0.00 0.71 0.00 0.00 52.55 53.51 2gj4 s ASP 227 Cb -0.15 -2.02 -0.01 0.00 1.01 0.00 0.00 42.92 41.75 2gj4 s ASP 227 CO -0.03 0.25 -0.24 -0.89 0.21 0.00 0.00 175.17 174.46 2gj4 s THR 228 N -0.04 2.12 0.38 -1.27 2.01 -0.18 -0.13 115.64 118.53 2gj4 s THR 228 Ca 0.09 -1.02 -0.25 0.00 0.31 0.00 0.00 61.69 60.81 2gj4 s THR 228 Cb -0.12 -1.79 -0.09 0.00 0.01 0.00 0.00 72.50 70.52 2gj4 s THR 228 CO 0.00 0.56 1.09 -2.16 -0.69 0.00 0.00 174.62 173.42 2gj4 s PRO 229 N 0.07 4.20 -0.39 4.92 0.04 -1.26 -1.03 135.00 141.54 2gj4 s PRO 229 Ca -0.10 1.64 0.02 0.00 0.04 0.00 0.00 61.00 62.59 2gj4 s PRO 229 Cb -0.16 -2.67 0.12 0.00 0.04 0.00 0.00 34.50 31.83 2gj4 s PRO 229 CO 0.06 -0.14 0.17 0.08 0.04 0.00 0.00 177.00 177.22 2gj4 s VAL 230 N -1.52 1.46 0.09 -0.36 1.01 0.08 -4.88 120.40 116.29 2gj4 s VAL 230 Ca 0.56 -2.23 -0.30 0.00 0.00 0.00 0.00 61.98 60.00 2gj4 s VAL 230 Cb -0.26 -2.05 -0.05 0.00 0.00 0.00 0.00 36.38 34.02 2gj4 s VAL 230 CO 0.32 -0.78 1.00 -2.16 0.00 0.00 0.00 175.10 173.49 2gj4 s PRO 231 N 0.76 4.63 0.75 2.72 0.04 -1.26 -1.03 135.00 141.62 2gj4 s PRO 231 Ca 0.14 1.51 -0.12 0.00 0.04 0.00 0.00 61.00 62.57 2gj4 s PRO 231 Cb -0.22 -3.38 0.04 0.00 0.04 0.00 0.00 34.50 30.99 2gj4 s PRO 231 CO -0.09 0.10 1.13 0.20 0.04 0.00 0.00 177.00 178.39 2gj4 s GLY 232 N 0.29 1.61 -0.72 0.56 0.00 -0.27 -4.82 107.32 103.97 2gj4 s GLY 232 Ca 0.49 -0.48 -0.27 0.00 0.00 0.00 0.00 44.72 44.47 2gj4 s GLY 232 CO 0.30 -0.06 1.24 -0.47 0.00 0.00 0.00 173.10 174.12 2gj4 s TYR 233 N -3.46 2.34 -1.29 1.90 5.04 -1.26 -4.20 117.35 116.42 2gj4 s TYR 233 Ca 0.60 -0.05 -0.07 0.00 -2.44 0.00 0.00 57.07 55.10 2gj4 s TYR 233 Cb -0.11 -4.59 0.05 0.00 0.35 0.00 0.00 41.96 37.66 2gj4 s TYR 233 CO 0.51 -2.00 0.44 0.54 -1.34 0.00 0.00 175.55 173.70 2gj4 n ARG 234 N 9.14 -3.49 -0.01 4.97 1.74 -0.51 -4.84 116.66 123.67 2gj4 n ARG 234 Ca 0.03 0.57 0.00 0.00 -0.77 0.00 0.00 57.85 57.68 2gj4 n ARG 234 Cb 0.49 -5.28 0.01 0.00 -1.02 0.00 0.00 32.46 26.65 2gj4 n ARG 234 CO 0.00 0.00 0.00 0.27 -1.52 0.00 0.00 177.63 176.38 2gj4 n ASN 235 N -2.26 1.88 -1.25 0.55 6.94 -1.26 -4.92 115.26 114.94 2gj4 n ASN 235 Ca -0.05 -1.81 -0.16 0.00 -0.02 0.00 0.00 54.58 52.54 2gj4 n ASN 235 Cb 0.56 -0.02 -0.07 0.00 -2.36 0.00 0.00 39.78 37.90 2gj4 n ASN 235 CO 0.00 0.00 0.00 0.59 -1.03 0.00 0.00 177.26 176.82 2gj4 n ASN 236 N -0.32 -5.53 -4.75 0.53 3.02 -1.26 -1.24 115.26 105.70 2gj4 n ASN 236 Ca 0.01 0.40 -0.38 0.00 -0.03 0.00 0.00 54.58 54.59 2gj4 n ASN 236 Cb 0.22 -4.47 -0.06 0.00 -0.61 0.00 0.00 39.78 34.86 2gj4 n ASN 236 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 2gj4 s VAL 237 N -2.41 5.18 -0.19 2.41 1.01 -1.26 -4.74 120.40 120.39 2gj4 s VAL 237 Ca 0.00 0.82 -0.01 0.00 0.00 0.00 0.00 61.98 62.79 2gj4 s VAL 237 Cb 0.00 -3.74 0.05 0.00 0.00 0.00 0.00 36.38 32.69 2gj4 s VAL 237 CO 0.00 0.40 -0.01 -0.69 0.00 0.00 0.00 175.10 174.81 2gj4 s VAL 238 N 0.17 0.88 0.42 2.92 1.01 -1.26 -1.11 120.40 123.43 2gj4 s VAL 238 Ca 0.23 -0.69 -0.00 0.00 0.00 0.00 0.00 61.98 61.52 2gj4 s VAL 238 Cb -0.15 -1.24 0.08 0.00 0.00 0.00 0.00 36.38 35.08 2gj4 s VAL 238 CO 0.09 -0.08 0.58 0.59 0.00 0.00 0.00 175.10 176.28 2gj4 n ASN 239 N 4.93 0.79 -4.13 3.32 3.02 -0.20 -4.68 115.26 118.31 2gj4 n ASN 239 Ca -0.10 -1.67 -0.26 0.00 -0.03 0.00 0.00 54.58 52.52 2gj4 n ASN 239 Cb 0.47 -0.38 -0.16 0.00 -0.61 0.00 0.00 39.78 39.10 2gj4 n ASN 239 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 2gj4 s THR 240 N -1.70 1.43 -0.31 3.41 2.01 -1.26 -0.74 115.64 118.49 2gj4 s THR 240 Ca 0.39 -0.71 -0.09 0.00 0.31 0.00 0.00 61.69 61.58 2gj4 s THR 240 Cb -0.02 -1.24 -0.00 0.00 0.01 0.00 0.00 72.50 71.25 2gj4 s THR 240 CO 0.26 0.41 0.15 -0.32 -0.69 0.00 0.00 174.62 174.43 2gj4 s MET 241 N 0.11 3.28 -0.30 4.92 1.75 -0.20 -2.20 119.30 126.66 2gj4 s MET 241 Ca -0.05 -0.76 -0.09 0.00 -1.25 0.00 0.00 55.69 53.54 2gj4 s MET 241 Cb -0.12 -3.55 -0.01 0.00 2.84 0.00 0.00 34.83 33.99 2gj4 s MET 241 CO 0.03 -0.44 0.14 0.50 -0.65 0.00 0.00 175.02 174.60 2gj4 s ARG 242 N 1.60 3.34 -0.11 4.11 3.52 0.61 -1.01 118.95 131.01 2gj4 s ARG 242 Ca 0.04 -0.71 0.01 0.00 -0.13 0.00 0.00 55.73 54.94 2gj4 s ARG 242 Cb -0.17 -3.52 -0.02 0.00 -1.56 0.00 0.00 34.95 29.68 2gj4 s ARG 242 CO 0.06 -0.40 -0.14 -0.51 -0.81 0.00 0.00 175.30 173.50 2gj4 s LEU 243 N 1.60 2.65 -0.02 -0.88 1.43 -0.38 -2.06 118.68 121.03 2gj4 s LEU 243 Ca 0.05 -0.33 -0.13 0.00 -1.03 0.00 0.00 54.13 52.68 2gj4 s LEU 243 Cb -0.17 -1.58 -0.05 0.00 0.03 0.00 0.00 46.19 44.42 2gj4 s LEU 243 CO 0.06 0.20 0.36 0.26 0.23 0.00 0.00 176.35 177.45 2gj4 s TRP 244 N 0.15 3.71 -0.05 0.29 0.52 -0.42 -0.72 118.94 122.41 2gj4 s TRP 244 Ca -0.08 0.91 0.06 0.00 0.02 0.00 0.00 56.10 57.02 2gj4 s TRP 244 Cb -0.15 -2.23 -0.01 0.00 -1.15 0.00 0.00 33.47 29.93 2gj4 s TRP 244 CO 0.05 0.66 -0.25 0.45 0.02 0.00 0.00 176.95 177.88 2gj4 s SER 245 N -1.08 3.04 0.07 2.95 0.15 -0.11 -1.28 113.70 117.44 2gj4 s SER 245 Ca 0.22 -0.50 -0.27 0.00 0.70 0.00 0.00 55.95 56.10 2gj4 s SER 245 Cb -0.16 -0.75 -0.05 0.00 -1.71 0.00 0.00 66.02 63.34 2gj4 s SER 245 CO 0.12 0.26 0.85 0.00 1.20 0.00 0.00 173.24 175.67 2gj4 s ALA 246 N -0.23 3.31 -0.01 5.45 0.00 -1.26 -1.20 121.76 127.81 2gj4 s ALA 246 Ca -0.01 0.41 0.02 0.00 0.00 0.00 0.00 51.96 52.38 2gj4 s ALA 246 Cb -0.13 -3.13 -0.00 0.00 0.00 0.00 0.00 23.12 19.86 2gj4 s ALA 246 CO 0.03 0.01 -0.07 0.21 0.00 0.00 0.00 175.76 175.93 2gj4 s LYS 247 N 0.04 0.65 0.35 0.00 2.20 -0.38 -4.71 119.74 117.90 2gj4 s LYS 247 Ca 0.43 -0.26 -0.28 0.00 -0.36 0.00 0.00 55.97 55.50 2gj4 s LYS 247 Cb -0.22 -0.63 -0.10 0.00 -1.51 0.00 0.00 37.83 35.37 2gj4 s LYS 247 CO 0.26 0.14 1.24 0.00 -0.36 0.00 0.00 175.35 176.62 2gj4 s ALA 248 N -0.05 3.37 0.59 3.13 0.00 -1.26 -0.96 121.76 126.58 2gj4 s ALA 248 Ca 0.01 1.13 -0.17 0.00 0.00 0.00 0.00 51.96 52.93 2gj4 s ALA 248 Cb -0.04 -3.43 -0.04 0.00 0.00 0.00 0.00 23.12 19.61 2gj4 s ALA 248 CO -0.00 -0.56 1.08 -1.25 0.00 0.00 0.00 175.76 175.03 2gj4 s PRO 249 N -1.90 3.26 0.04 0.00 0.04 -1.26 -4.82 135.00 130.37 2gj4 s PRO 249 Ca 0.51 1.35 0.01 0.00 0.04 0.00 0.00 61.00 62.90 2gj4 s PRO 249 Cb -0.36 -2.02 -0.03 0.00 0.04 0.00 0.00 34.50 32.13 2gj4 s PRO 249 CO 0.47 -0.87 -0.05 0.54 0.04 0.00 0.00 177.00 177.13 2gj4 s ASN 250 N -2.44 0.60 0.00 6.66 4.22 -1.26 -5.10 114.94 117.62 2gj4 s ASN 250 Ca 0.67 -0.67 0.00 0.00 -2.14 0.00 0.00 52.86 50.71 2gj4 s ASN 250 Cb -0.19 0.10 0.00 0.00 1.28 0.00 0.00 41.25 42.44 2gj4 s ASN 250 CO 0.34 -0.35 0.00 0.61 -2.04 0.00 0.00 177.10 175.66 2gj4 n GLY 261 N 1.07 0.00 0.10 0.45 0.00 -1.26 -5.28 105.19 100.26 2gj4 n GLY 261 Ca -0.20 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.72 2gj4 n GLY 261 CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 2gj4 h TYR 262 N 0.00 0.11 -0.26 1.61 3.20 -2.06 -1.32 116.97 118.25 2gj4 h TYR 262 Ca 0.00 0.01 -0.00 0.00 3.14 0.00 0.00 58.73 61.88 2gj4 h TYR 262 Cb 0.00 -0.02 -0.01 0.00 1.54 0.00 0.00 36.73 38.24 2gj4 h TYR 262 CO 0.00 0.05 0.16 0.82 -1.64 0.00 0.00 178.16 177.55 2gj4 h ILE 263 N 0.15 1.10 -0.52 1.81 1.08 -2.06 -2.31 117.51 116.76 2gj4 h ILE 263 Ca 0.08 -0.23 -0.04 0.00 -0.39 0.00 0.00 64.86 64.28 2gj4 h ILE 263 Cb 0.05 0.78 -0.02 0.00 -3.07 0.00 0.00 36.82 34.56 2gj4 h ILE 263 CO -0.09 0.09 0.15 -0.61 -0.69 0.00 0.00 178.15 177.01 2gj4 h GLN 264 N 0.32 0.78 -0.70 2.37 5.75 -1.95 -1.90 115.11 119.79 2gj4 h GLN 264 Ca 0.09 -0.14 0.04 0.00 -0.15 0.00 0.00 58.65 58.49 2gj4 h GLN 264 Cb 0.02 -0.13 -0.05 0.00 1.07 0.00 0.00 27.48 28.39 2gj4 h GLN 264 CO -0.02 0.69 0.42 0.00 -2.65 0.00 0.00 178.83 177.28 2gj4 h ALA 265 N 1.40 0.92 -0.37 3.38 0.00 -0.87 0.21 119.26 123.93 2gj4 h ALA 265 Ca 0.17 -0.01 -0.07 0.00 0.00 0.00 0.00 54.91 55.00 2gj4 h ALA 265 Cb 0.25 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.82 2gj4 h ALA 265 CO -0.01 0.17 -0.04 0.28 0.00 0.00 0.00 179.25 179.66 2gj4 h VAL 266 N 0.81 1.27 -0.78 0.00 2.07 -1.07 -2.99 116.25 115.56 2gj4 h VAL 266 Ca 0.29 -1.06 -0.02 0.00 0.82 0.00 0.00 66.70 66.73 2gj4 h VAL 266 Cb 0.07 1.21 -0.04 0.00 -1.52 0.00 0.00 31.29 31.02 2gj4 h VAL 266 CO -0.13 0.35 0.41 -0.07 0.02 0.00 0.00 177.57 178.15 2gj4 h LEU 267 N 0.49 0.98 0.00 2.57 3.38 -1.01 -2.58 115.31 119.14 2gj4 h LEU 267 Ca 0.10 -0.09 0.00 0.00 0.09 0.00 0.00 57.88 57.98 2gj4 h LEU 267 Cb 0.52 -0.25 0.00 0.00 0.09 0.00 0.00 40.66 41.02 2gj4 h LEU 267 CO 0.03 0.81 0.00 0.47 0.09 0.00 0.00 178.44 179.83 2gj4 n ASP 268 N -4.34 0.00 0.08 -0.43 8.00 0.70 -1.78 116.55 118.78 2gj4 n ASP 268 Ca 0.08 0.40 0.16 0.00 0.71 0.00 0.00 54.79 56.15 2gj4 n ASP 268 Cb 0.11 -0.45 0.67 0.00 -0.02 0.00 0.00 41.12 41.44 2gj4 n ASP 268 CO 0.00 0.00 0.00 0.03 -0.39 0.00 0.00 177.20 176.84 2gj4 h ARG 269 N 0.00 0.01 -0.80 -1.24 3.08 -1.40 -2.20 114.38 111.83 2gj4 h ARG 269 Ca 0.00 -0.00 0.23 0.00 0.07 0.00 0.00 59.98 60.28 2gj4 h ARG 269 Cb 0.16 -0.00 -0.03 0.00 0.08 0.00 0.00 29.97 30.18 2gj4 h ARG 269 CO 0.00 0.01 0.57 -0.91 -1.07 0.00 0.00 179.97 178.57 2gj4 h ASN 270 N 0.01 0.04 -0.03 7.04 2.35 -1.56 -2.71 115.58 120.72 2gj4 h ASN 270 Ca 0.18 0.00 -0.01 0.00 -0.55 0.00 0.00 56.30 55.93 2gj4 h ASN 270 Cb 0.70 -0.00 -0.00 0.00 0.05 0.00 0.00 38.32 39.06 2gj4 h ASN 270 CO -0.00 0.02 -0.00 -0.07 -1.65 0.00 0.00 177.43 175.72 2gj4 h LEU 271 N 0.04 0.06 -0.86 1.61 3.38 -1.64 -0.26 115.31 117.65 2gj4 h LEU 271 Ca 0.38 -0.35 -0.05 0.00 0.09 0.00 0.00 57.88 57.95 2gj4 h LEU 271 Cb 1.47 -0.02 -0.03 0.00 0.09 0.00 0.00 40.66 42.17 2gj4 h LEU 271 CO -0.02 0.40 0.28 0.00 0.09 0.00 0.00 178.44 179.18 2gj4 h ALA 272 N 0.66 1.08 0.00 1.53 0.00 -1.71 -2.92 119.26 117.91 2gj4 h ALA 272 Ca 0.01 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.72 2gj4 h ALA 272 Cb 0.37 -0.29 0.00 0.00 0.00 0.00 0.00 17.79 17.87 2gj4 h ALA 272 CO 0.00 0.64 0.00 0.93 0.00 0.00 0.00 179.25 180.82 2gj4 h GLU 273 N 1.09 0.00 0.00 0.00 5.08 -1.31 -2.73 114.58 116.70 2gj4 h GLU 273 Ca 0.25 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.61 2gj4 h GLU 273 Cb 0.23 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.48 2gj4 h GLU 273 CO -0.02 0.00 0.00 -0.91 -1.00 0.00 0.00 179.01 177.08 2gj4 h ASN 274 N 0.00 0.00 -0.98 1.42 2.35 -0.83 -3.12 115.58 114.42 2gj4 h ASN 274 Ca 0.00 0.00 0.08 0.00 -0.55 0.00 0.00 56.30 55.83 2gj4 h ASN 274 Cb 0.56 0.00 -0.07 0.00 0.05 0.00 0.00 38.32 38.85 2gj4 h ASN 274 CO 0.00 0.00 0.62 0.40 -1.65 0.00 0.00 177.43 176.80 2gj4 h ILE 275 N 0.00 1.03 -0.57 2.81 2.04 -1.65 -2.20 117.51 118.98 2gj4 h ILE 275 Ca 0.00 -0.37 0.00 0.00 1.00 0.00 0.00 64.86 65.49 2gj4 h ILE 275 Cb 0.07 -0.15 0.00 0.00 -0.74 0.00 0.00 36.82 36.00 2gj4 h ILE 275 CO 0.00 0.20 0.00 -1.54 0.00 0.00 0.00 178.15 176.81 2gj4 n SER 276 N -4.56 5.70 -0.04 1.72 3.41 -1.18 -4.68 113.62 113.99 2gj4 n SER 276 Ca 0.16 -2.94 -0.13 0.00 -0.26 0.00 0.00 58.87 55.69 2gj4 n SER 276 Cb 0.23 -0.68 -0.08 0.00 -0.26 0.00 0.00 64.21 63.42 2gj4 n SER 276 CO 0.00 0.00 0.00 -0.09 -0.16 0.00 0.00 175.04 174.79 2gj4 h ARG 277 N 3.93 0.30 -2.63 4.33 9.65 -1.53 -1.83 114.38 126.60 2gj4 h ARG 277 Ca 0.00 -0.18 -0.11 0.00 -1.10 0.00 0.00 59.98 58.59 2gj4 h ARG 277 Cb 1.97 0.02 -0.24 0.00 -1.39 0.00 0.00 29.97 30.33 2gj4 h ARG 277 CO 0.49 0.75 -0.20 0.54 2.80 0.00 0.00 179.97 184.34 2gj4 s VAL 278 N -4.13 -0.00 0.11 0.20 0.11 -1.26 -0.85 120.40 114.58 2gj4 s VAL 278 Ca -0.14 0.01 -0.31 0.00 -2.93 0.00 0.00 61.98 58.61 2gj4 s VAL 278 Cb 0.04 -0.63 -0.08 0.00 -1.53 0.00 0.00 36.38 34.18 2gj4 s VAL 278 CO 0.75 0.01 1.47 -0.22 -3.33 0.00 0.00 175.10 173.77 2gj4 s LEU 279 N 0.45 4.36 -0.02 2.54 2.96 -0.80 -4.98 118.68 123.19 2gj4 s LEU 279 Ca -0.02 2.40 -0.30 0.00 -0.22 0.00 0.00 54.13 55.99 2gj4 s LEU 279 Cb -0.04 -3.58 -0.05 0.00 0.50 0.00 0.00 46.19 43.01 2gj4 s LEU 279 CO -0.02 -0.73 1.43 -0.31 -1.32 0.00 0.00 176.35 175.40 2gj4 s TYR 280 N 1.41 2.73 -0.94 5.38 1.51 -1.26 -4.83 117.35 121.35 2gj4 s TYR 280 Ca 0.67 0.73 0.04 0.00 -1.01 0.00 0.00 57.07 57.50 2gj4 s TYR 280 Cb -0.38 -3.70 0.22 0.00 -0.11 0.00 0.00 41.96 37.99 2gj4 s TYR 280 CO 0.30 -2.62 0.88 -0.35 -1.11 0.00 0.00 175.55 172.65 2gj4 n PRO 281 N 5.70 2.00 -2.59 -1.71 -0.04 -1.26 -4.85 135.00 132.24 2gj4 n PRO 281 Ca 0.14 -0.84 -0.42 0.00 -0.04 0.00 0.00 63.50 62.33 2gj4 n PRO 281 Cb 0.43 -1.64 -0.03 0.00 -0.04 0.00 0.00 33.50 32.22 2gj4 n PRO 281 CO 0.00 0.00 0.00 -0.80 -0.04 0.00 0.00 175.50 174.66 2gj4 s ASN 282 N -0.30 7.25 0.00 3.54 0.01 -1.26 -4.55 114.94 119.62 2gj4 s ASN 282 Ca 0.15 1.81 0.00 0.00 -0.71 0.00 0.00 52.86 54.11 2gj4 s ASN 282 Cb 0.11 -2.57 0.00 0.00 0.41 0.00 0.00 41.25 39.19 2gj4 s ASN 282 CO 0.05 -0.35 0.00 -0.67 -1.51 0.00 0.00 177.10 174.62 2gj4 n ASP 283 N 3.91 0.00 -3.53 -1.22 -0.08 -1.26 -4.76 116.55 109.61 2gj4 n ASP 283 Ca 0.07 0.05 -0.33 0.00 -1.51 0.00 0.00 54.79 53.07 2gj4 n ASP 283 Cb 0.49 -0.25 -0.04 0.00 2.34 0.00 0.00 41.12 43.66 2gj4 n ASP 283 CO 0.00 0.00 0.00 -0.46 0.12 0.00 0.00 177.20 176.86 2gj4 n ASN 284 N -1.85 5.04 -3.64 1.67 2.04 -1.26 -5.02 115.26 112.24 2gj4 n ASN 284 Ca 0.00 -3.51 -0.04 0.00 -0.44 0.00 0.00 54.58 50.59 2gj4 n ASN 284 Cb 0.00 -0.88 -0.06 0.00 -2.53 0.00 0.00 39.78 36.32 2gj4 n ASN 284 CO 0.00 0.00 0.00 0.12 -0.44 0.00 0.00 177.26 176.94 2gj4 s PHE 285 N -2.94 -1.15 -0.25 -2.53 5.36 -1.26 -4.18 117.98 111.03 2gj4 s PHE 285 Ca 0.39 2.15 -0.21 0.00 -0.96 0.00 0.00 56.93 58.30 2gj4 s PHE 285 Cb 0.15 0.69 -0.02 0.00 -0.34 0.00 0.00 43.02 43.50 2gj4 s PHE 285 CO -0.01 -0.57 0.67 0.12 -1.46 0.00 0.00 175.22 173.97 2gj4 s PHE 286 N 2.15 3.30 -0.19 10.12 5.36 -0.16 -4.88 117.98 133.68 2gj4 s PHE 286 Ca -0.08 0.89 0.14 0.00 -0.96 0.00 0.00 56.93 56.92 2gj4 s PHE 286 Cb -0.08 -2.88 -0.23 0.00 -0.34 0.00 0.00 43.02 39.49 2gj4 s PHE 286 CO -0.19 -0.32 0.09 -1.91 -1.46 0.00 0.00 175.22 171.42 2gj4 n GLU 287 N 5.69 0.68 -2.05 10.12 2.13 -1.26 -4.98 120.64 130.97 2gj4 n GLU 287 Ca 0.01 0.06 -0.05 0.00 0.66 0.00 0.00 57.16 57.83 2gj4 n GLU 287 Cb 0.49 -1.56 -0.00 0.00 0.27 0.00 0.00 31.44 30.64 2gj4 n GLU 287 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 2gj4 n GLY 288 N 1.83 0.18 3.74 8.31 0.00 -1.26 -5.03 105.19 112.96 2gj4 n GLY 288 Ca -0.34 -0.67 -0.41 0.00 0.00 0.00 0.00 46.02 44.60 2gj4 n GLY 288 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2gj4 s LYS 289 N -4.17 4.74 0.26 1.61 -0.14 -1.26 -4.96 119.74 115.82 2gj4 s LYS 289 Ca 0.00 1.51 -0.02 0.00 -1.36 0.00 0.00 55.97 56.10 2gj4 s LYS 289 Cb 0.00 -3.32 0.47 0.00 -1.68 0.00 0.00 37.83 33.29 2gj4 s LYS 289 CO 0.00 0.31 1.83 1.49 -0.76 0.00 0.00 175.35 178.21 2gj4 h GLU 290 N 4.95 0.88 -0.68 1.68 4.81 -2.00 -2.24 114.58 121.98 2gj4 h GLU 290 Ca -0.44 -0.05 -0.00 0.00 -0.13 0.00 0.00 59.36 58.73 2gj4 h GLU 290 Cb 1.21 -0.20 -0.03 0.00 0.63 0.00 0.00 28.75 30.35 2gj4 h GLU 290 CO 0.70 0.58 0.41 1.25 -0.73 0.00 0.00 179.01 181.22 2gj4 h LEU 291 N 0.91 0.81 -0.60 1.64 5.85 -1.99 -0.65 115.31 121.28 2gj4 h LEU 291 Ca 0.45 -0.05 -0.03 0.00 0.84 0.00 0.00 57.88 59.09 2gj4 h LEU 291 Cb 0.41 -0.21 -0.03 0.00 0.37 0.00 0.00 40.66 41.20 2gj4 h LEU 291 CO -0.25 0.63 0.24 -0.09 -0.34 0.00 0.00 178.44 178.63 2gj4 h ARG 292 N 0.94 0.90 -0.87 1.25 9.65 -1.82 -1.56 114.38 122.86 2gj4 h ARG 292 Ca 0.25 -0.16 -0.02 0.00 -1.10 0.00 0.00 59.98 58.95 2gj4 h ARG 292 Cb -0.03 -0.15 -0.04 0.00 -1.39 0.00 0.00 29.97 28.36 2gj4 h ARG 292 CO -0.05 0.77 0.48 1.25 2.80 0.00 0.00 179.97 185.22 2gj4 h LEU 293 N 0.84 1.09 -0.59 3.80 5.85 -0.98 -1.86 115.31 123.46 2gj4 h LEU 293 Ca 0.20 -0.10 0.00 0.00 0.84 0.00 0.00 57.88 58.83 2gj4 h LEU 293 Cb 0.20 -0.28 -0.03 0.00 0.37 0.00 0.00 40.66 40.93 2gj4 h LEU 293 CO -0.02 0.88 0.39 0.11 -0.34 0.00 0.00 178.44 179.46 2gj4 h LYS 294 N 1.22 0.78 -0.56 1.25 1.57 -0.91 -1.74 116.57 118.18 2gj4 h LYS 294 Ca 0.31 -0.05 0.02 0.00 -1.87 0.00 0.00 60.65 59.06 2gj4 h LYS 294 Cb 0.03 -0.17 -0.03 0.00 0.08 0.00 0.00 32.23 32.13 2gj4 h LYS 294 CO -0.05 0.52 0.35 1.96 -0.57 0.00 0.00 179.45 181.66 2gj4 h GLN 295 N 0.80 0.69 -0.34 3.15 4.20 -0.89 0.18 115.11 122.89 2gj4 h GLN 295 Ca 0.22 -0.04 -0.01 0.00 0.06 0.00 0.00 58.65 58.87 2gj4 h GLN 295 Cb -0.09 -0.15 -0.02 0.00 0.30 0.00 0.00 27.48 27.52 2gj4 h GLN 295 CO -0.05 0.45 0.18 0.93 -0.67 0.00 0.00 178.83 179.68 2gj4 h GLU 296 N 0.71 0.48 -0.31 1.46 5.08 -1.11 -2.38 114.58 118.51 2gj4 h GLU 296 Ca 0.22 -0.06 -0.16 0.00 -1.00 0.00 0.00 59.36 58.36 2gj4 h GLU 296 Cb -0.02 -0.09 -0.01 0.00 0.50 0.00 0.00 28.75 29.14 2gj4 h GLU 296 CO -0.08 0.42 -0.45 -0.92 -1.00 0.00 0.00 179.01 176.98 2gj4 h TYR 297 N 0.42 0.97 -0.37 4.33 3.20 -1.07 -2.63 116.97 121.83 2gj4 h TYR 297 Ca 0.12 -0.31 0.08 0.00 3.14 0.00 0.00 58.73 61.76 2gj4 h TYR 297 Cb 0.09 -0.20 -0.08 0.00 1.54 0.00 0.00 36.73 38.08 2gj4 h TYR 297 CO -0.02 1.10 -0.19 0.35 -1.64 0.00 0.00 178.16 177.76 2gj4 h PHE 298 N 0.64 -0.47 -0.41 -3.82 3.57 -0.54 0.03 116.94 115.94 2gj4 h PHE 298 Ca 0.04 0.04 -0.12 0.00 3.53 0.00 0.00 57.97 61.46 2gj4 h PHE 298 Cb 1.02 0.26 -0.01 0.00 2.79 0.00 0.00 35.95 40.01 2gj4 h PHE 298 CO 0.06 -0.27 -0.23 -0.39 -2.23 0.00 0.00 178.31 175.25 2gj4 h VAL 299 N -0.12 1.27 -0.09 1.41 -1.51 -1.39 -3.02 116.25 112.79 2gj4 h VAL 299 Ca 0.18 -1.37 -0.01 0.00 -1.23 0.00 0.00 66.70 64.27 2gj4 h VAL 299 Cb 0.41 1.20 -0.00 0.00 -2.13 0.00 0.00 31.29 30.77 2gj4 h VAL 299 CO -0.45 0.46 0.00 0.58 -1.23 0.00 0.00 177.57 176.93 2gj4 h VAL 300 N 0.72 1.24 -0.09 7.19 2.07 -1.04 -2.28 116.25 124.07 2gj4 h VAL 300 Ca 0.10 -0.76 -0.00 0.00 0.82 0.00 0.00 66.70 66.85 2gj4 h VAL 300 Cb 0.77 1.57 -0.00 0.00 -1.52 0.00 0.00 31.29 32.10 2gj4 h VAL 300 CO 0.06 0.22 0.04 0.00 0.02 0.00 0.00 177.57 177.91 2gj4 h ALA 301 N 0.75 0.11 -0.21 1.67 0.00 -1.06 -1.34 119.26 119.17 2gj4 h ALA 301 Ca 0.03 -0.07 -0.04 0.00 0.00 0.00 0.00 54.91 54.83 2gj4 h ALA 301 Cb 0.33 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.08 2gj4 h ALA 301 CO 0.00 -0.33 -0.02 0.00 0.00 0.00 0.00 179.25 178.90 2gj4 h ALA 302 N 0.92 0.29 -0.33 0.00 0.00 -1.62 -2.52 119.26 116.01 2gj4 h ALA 302 Ca 0.03 -0.23 0.03 0.00 0.00 0.00 0.00 54.91 54.74 2gj4 h ALA 302 Cb 0.11 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 17.79 2gj4 h ALA 302 CO -0.00 0.03 0.12 1.15 0.00 0.00 0.00 179.25 180.55 2gj4 h THR 303 N 0.13 0.93 -0.33 0.00 2.02 -1.38 -2.06 112.91 112.22 2gj4 h THR 303 Ca 0.06 -0.09 -0.09 0.00 0.77 0.00 0.00 66.41 67.05 2gj4 h THR 303 Cb 0.44 0.63 -0.02 0.00 -1.74 0.00 0.00 68.15 67.47 2gj4 h THR 303 CO 0.02 0.05 -0.17 -0.07 0.37 0.00 0.00 175.52 175.72 2gj4 h LEU 304 N 0.27 0.59 -0.54 2.58 4.07 -1.22 -0.94 115.31 120.12 2gj4 h LEU 304 Ca 0.14 -0.18 0.05 0.00 0.08 0.00 0.00 57.88 57.98 2gj4 h LEU 304 Cb 0.10 -0.16 -0.05 0.00 1.08 0.00 0.00 40.66 41.64 2gj4 h LEU 304 CO -0.14 0.77 0.27 1.56 -1.08 0.00 0.00 178.44 179.82 2gj4 h GLN 305 N 0.53 0.50 -0.35 1.13 4.20 -1.25 -1.78 115.11 118.10 2gj4 h GLN 305 Ca 0.09 -0.03 -0.02 0.00 0.06 0.00 0.00 58.65 58.75 2gj4 h GLN 305 Cb 0.60 -0.11 -0.02 0.00 0.30 0.00 0.00 27.48 28.25 2gj4 h GLN 305 CO 0.04 0.33 0.15 0.22 -0.67 0.00 0.00 178.83 178.90 2gj4 h ASP 306 N 0.52 0.48 -0.43 1.46 3.58 -0.83 -1.87 116.42 119.32 2gj4 h ASP 306 Ca 0.24 -0.16 0.01 0.00 0.42 0.00 0.00 57.03 57.54 2gj4 h ASP 306 Cb 0.16 -0.12 -0.02 0.00 1.72 0.00 0.00 39.33 41.07 2gj4 h ASP 306 CO -0.17 0.50 0.28 0.40 -2.88 0.00 0.00 179.24 177.37 2gj4 h ILE 307 N 0.42 1.10 -0.43 2.25 2.04 -1.08 -2.13 117.51 119.68 2gj4 h ILE 307 Ca 0.12 -0.20 -0.14 0.00 1.00 0.00 0.00 64.86 65.64 2gj4 h ILE 307 Cb 0.17 0.47 -0.01 0.00 -0.74 0.00 0.00 36.82 36.71 2gj4 h ILE 307 CO -0.01 0.10 -0.28 0.40 0.00 0.00 0.00 178.15 178.36 2gj4 h ILE 308 N 0.57 1.27 -0.32 -0.67 2.04 -1.21 -1.01 117.51 118.19 2gj4 h ILE 308 Ca 0.16 -1.45 0.00 0.00 1.00 0.00 0.00 64.86 64.58 2gj4 h ILE 308 Cb -0.05 1.26 -0.02 0.00 -0.74 0.00 0.00 36.82 37.27 2gj4 h ILE 308 CO -0.04 0.49 0.21 -0.09 0.00 0.00 0.00 178.15 178.71 2gj4 h ARG 309 N 0.78 0.41 -0.58 2.37 2.43 -1.28 -1.81 114.38 116.71 2gj4 h ARG 309 Ca 0.09 -0.02 -0.07 0.00 -0.81 0.00 0.00 59.98 59.16 2gj4 h ARG 309 Cb 0.86 -0.09 -0.02 0.00 -0.42 0.00 0.00 29.97 30.30 2gj4 h ARG 309 CO 0.08 0.27 0.08 -0.09 -1.51 0.00 0.00 179.97 178.80 2gj4 h ARG 310 N 0.42 0.94 -0.65 0.20 2.43 -1.26 -1.74 114.38 114.72 2gj4 h ARG 310 Ca 0.12 -0.24 0.02 0.00 -0.81 0.00 0.00 59.98 59.07 2gj4 h ARG 310 Cb -0.04 -0.12 -0.04 0.00 -0.42 0.00 0.00 29.97 29.36 2gj4 h ARG 310 CO -0.03 0.88 0.42 0.35 -1.51 0.00 0.00 179.97 180.08 2gj4 h PHE 311 N 0.88 0.79 0.00 2.20 3.57 -0.98 -2.62 116.94 120.79 2gj4 h PHE 311 Ca 0.18 0.02 -0.07 0.00 3.53 0.00 0.00 57.97 61.63 2gj4 h PHE 311 Cb 0.41 -0.26 -0.01 0.00 2.79 0.00 0.00 35.95 38.88 2gj4 h PHE 311 CO 0.03 0.48 -0.33 0.87 -2.23 0.00 0.00 178.31 177.13 2gj4 h LYS 312 N 0.84 0.00 -1.43 1.11 1.57 -0.86 -3.51 116.57 114.29 2gj4 h LYS 312 Ca 0.25 0.00 -0.38 0.00 -1.87 0.00 0.00 60.65 58.65 2gj4 h LYS 312 Cb -0.04 0.00 -0.16 0.00 0.08 0.00 0.00 32.23 32.10 2gj4 h LYS 312 CO -0.08 0.33 0.49 0.43 -0.57 0.00 0.00 179.45 180.06 2gj4 n SER 313 N -3.81 6.64 -0.73 0.86 7.64 -0.70 -5.11 113.62 118.41 2gj4 n SER 313 Ca -0.01 -3.18 -0.07 0.00 1.01 0.00 0.00 58.87 56.62 2gj4 n SER 313 Cb 0.41 -1.04 0.00 0.00 -1.01 0.00 0.00 64.21 62.57 2gj4 n SER 313 CO 0.00 0.00 0.00 -3.20 -3.01 0.00 0.00 175.04 168.83 2gj4 n ASN 325 N 0.13 -0.72 0.00 6.43 5.15 -1.26 -4.99 115.26 119.99 2gj4 n ASN 325 Ca 0.36 0.10 0.13 0.00 -0.60 0.00 0.00 54.58 54.56 2gj4 n ASN 325 Cb 0.60 -0.14 0.76 0.00 -0.53 0.00 0.00 39.78 40.46 2gj4 n ASN 325 CO 0.00 0.00 0.00 0.49 1.40 0.00 0.00 177.26 179.15 2gj4 n PHE 326 N -0.30 0.00 0.07 1.20 3.72 -1.26 -3.67 117.46 117.23 2gj4 n PHE 326 Ca 0.01 0.00 0.12 0.00 -0.05 0.00 0.00 57.45 57.53 2gj4 n PHE 326 Cb 0.09 0.00 0.59 0.00 -0.94 0.00 0.00 39.48 39.22 2gj4 n PHE 326 CO 0.00 0.00 0.00 -0.44 -0.05 0.00 0.00 176.76 176.27 2gj4 h ASP 327 N 0.00 0.15 -0.01 4.37 3.32 -2.03 -1.96 116.42 120.26 2gj4 h ASP 327 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 2gj4 h ASP 327 Cb 0.00 -0.03 0.00 0.00 0.22 0.00 0.00 39.33 39.52 2gj4 h ASP 327 CO 0.00 0.10 -0.00 0.00 -1.72 0.00 0.00 179.24 177.62 2gj4 n ALA 328 N -2.56 2.58 -0.12 3.45 0.00 -1.24 -4.45 120.51 118.16 2gj4 n ALA 328 Ca 0.04 -0.44 -0.05 0.00 0.00 0.00 0.00 53.44 52.99 2gj4 n ALA 328 Cb 0.30 -1.16 0.03 0.00 0.00 0.00 0.00 19.45 18.61 2gj4 n ALA 328 CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 177.50 177.85 2gj4 h PHE 329 N 2.35 0.28 0.00 0.00 3.57 -1.59 -1.28 116.94 120.28 2gj4 h PHE 329 Ca 0.00 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.52 2gj4 h PHE 329 Cb 0.50 -0.07 0.00 0.00 2.79 0.00 0.00 35.95 39.17 2gj4 h PHE 329 CO 0.00 0.12 0.00 -1.35 -2.23 0.00 0.00 178.31 174.85 2gj4 h PRO 330 N 0.33 0.00 0.00 6.41 0.11 -1.79 0.13 132.00 137.19 2gj4 h PRO 330 Ca 0.18 0.00 -0.06 0.00 0.11 0.00 0.00 66.00 66.23 2gj4 h PRO 330 Cb 0.15 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.25 2gj4 h PRO 330 CO -0.17 0.00 -0.29 -0.44 -0.21 0.00 0.00 178.00 176.89 2gj4 h ASP 331 N 0.00 0.00 -0.00 -2.05 3.32 -1.53 -3.33 116.42 112.83 2gj4 h ASP 331 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 2gj4 h ASP 331 Cb 0.45 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.00 2gj4 h ASP 331 CO 0.00 0.29 -0.48 0.29 -1.72 0.00 0.00 179.24 177.62 2gj4 n LYS 332 N -3.38 3.65 -3.88 3.56 4.01 -0.82 -4.54 118.16 116.76 2gj4 n LYS 332 Ca 0.00 -0.00 -0.16 0.00 -0.51 0.00 0.00 58.31 57.64 2gj4 n LYS 332 Cb 0.49 -0.98 -0.16 0.00 -0.51 0.00 0.00 35.03 33.87 2gj4 n LYS 332 CO 0.00 0.00 0.00 0.08 -1.11 0.00 0.00 177.40 176.37 2gj4 s VAL 333 N -1.95 0.10 -0.06 -0.18 1.01 -0.03 -1.59 120.40 117.70 2gj4 s VAL 333 Ca 0.04 0.12 0.06 0.00 0.00 0.00 0.00 61.98 62.19 2gj4 s VAL 333 Cb 0.08 -0.21 -0.01 0.00 0.00 0.00 0.00 36.38 36.24 2gj4 s VAL 333 CO 0.42 0.12 -0.23 0.00 0.00 0.00 0.00 175.10 175.41 2gj4 s ALA 334 N 0.98 2.02 -0.23 5.51 0.00 -0.58 -4.52 121.76 124.94 2gj4 s ALA 334 Ca -0.09 -0.96 0.00 0.00 0.00 0.00 0.00 51.96 50.90 2gj4 s ALA 334 Cb -0.13 -0.64 0.03 0.00 0.00 0.00 0.00 23.12 22.38 2gj4 s ALA 334 CO -0.02 0.38 -0.11 0.42 0.00 0.00 0.00 175.76 176.42 2gj4 s ILE 335 N -0.08 2.50 -0.20 0.00 1.01 -0.48 -0.69 121.20 123.27 2gj4 s ILE 335 Ca -0.05 -1.09 -0.08 0.00 0.00 0.00 0.00 60.65 59.43 2gj4 s ILE 335 Cb -0.14 -2.24 -0.04 0.00 0.01 0.00 0.00 42.46 40.06 2gj4 s ILE 335 CO 0.04 0.27 0.07 -1.58 0.00 0.00 0.00 174.94 173.74 2gj4 s GLN 336 N 1.28 3.95 -0.37 2.79 2.00 0.06 -1.78 119.66 127.59 2gj4 s GLN 336 Ca 0.00 -0.35 -0.13 0.00 -2.00 0.00 0.00 55.36 52.88 2gj4 s GLN 336 Cb -0.16 -3.26 0.00 0.00 0.80 0.00 0.00 33.01 30.39 2gj4 s GLN 336 CO -0.07 0.20 0.25 -0.51 -0.50 0.00 0.00 175.29 174.66 2gj4 s LEU 337 N 0.58 4.75 -0.89 3.68 1.43 0.03 -1.58 118.68 126.68 2gj4 s LEU 337 Ca 0.04 -0.69 -0.24 0.00 -1.03 0.00 0.00 54.13 52.21 2gj4 s LEU 337 Cb -0.13 -2.12 0.05 0.00 0.03 0.00 0.00 46.19 44.02 2gj4 s LEU 337 CO 0.01 -0.34 1.32 0.21 0.23 0.00 0.00 176.35 177.78 2gj4 s ASN 338 N 1.68 6.37 0.57 2.29 2.47 -0.88 -1.72 114.94 125.72 2gj4 s ASN 338 Ca 0.05 -1.14 0.00 0.00 0.42 0.00 0.00 52.86 52.19 2gj4 s ASN 338 Cb -0.18 -2.54 0.00 0.00 -1.45 0.00 0.00 41.25 37.08 2gj4 s ASN 338 CO 0.10 -1.57 0.00 -0.67 -3.72 0.00 0.00 177.10 171.24 2gj4 n ASP 339 N 8.71 -3.40 -0.17 -4.21 -0.08 -0.53 -4.17 116.55 112.69 2gj4 n ASP 339 Ca 0.19 0.00 0.15 0.00 -1.51 0.00 0.00 54.79 53.62 2gj4 n ASP 339 Cb 0.50 0.00 0.71 0.00 2.34 0.00 0.00 41.12 44.67 2gj4 n ASP 339 CO 0.00 0.00 0.00 0.35 0.12 0.00 0.00 177.20 177.67 2gj4 n THR 340 N -1.13 0.00 -0.33 5.18 -2.24 -1.26 -4.31 114.28 110.19 2gj4 n THR 340 Ca 0.00 -0.09 0.01 0.00 -2.27 0.00 0.00 64.05 61.70 2gj4 n THR 340 Cb 0.00 -0.08 0.15 0.00 -2.10 0.00 0.00 70.33 68.30 2gj4 n THR 340 CO 0.00 0.00 0.00 0.45 -0.57 0.00 0.00 175.07 174.95 2gj4 h HIS 341 N 0.85 1.08 -0.74 4.78 3.86 -1.96 -0.45 115.15 122.57 2gj4 h HIS 341 Ca 0.00 0.03 -0.29 0.00 -1.16 0.00 0.00 60.37 58.95 2gj4 h HIS 341 Cb 0.27 -0.35 -0.17 0.00 1.06 0.00 0.00 27.41 28.21 2gj4 h HIS 341 CO 0.00 0.56 0.36 -0.35 0.86 0.00 0.00 177.93 179.37 2gj4 n PRO 342 N -4.56 3.00 0.27 2.45 -0.04 -1.26 -4.66 135.00 130.19 2gj4 n PRO 342 Ca 0.13 -2.71 0.16 0.00 -0.04 0.00 0.00 63.50 61.04 2gj4 n PRO 342 Cb 0.17 -2.10 0.91 0.00 -0.04 0.00 0.00 33.50 32.44 2gj4 n PRO 342 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 2gj4 h SER 343 N 1.88 0.00 0.11 3.54 4.64 -1.33 -1.71 113.55 120.69 2gj4 h SER 343 Ca 0.35 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.67 2gj4 h SER 343 Cb 2.34 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 64.43 2gj4 h SER 343 CO 0.78 0.00 0.00 0.18 -0.87 0.00 0.00 176.83 176.92 2gj4 n LEU 344 N -3.79 0.17 -0.10 5.97 4.77 -1.26 -2.03 117.00 120.73 2gj4 n LEU 344 Ca -0.02 0.57 0.13 0.00 -0.03 0.00 0.00 56.01 56.67 2gj4 n LEU 344 Cb 0.15 -0.58 0.51 0.00 -2.33 0.00 0.00 43.42 41.18 2gj4 n LEU 344 CO 0.27 -0.58 1.19 0.00 -1.33 0.00 0.00 177.39 176.94 2gj4 h ALA 345 N 2.08 2.07 0.72 -1.18 0.00 -1.67 -0.40 119.26 120.88 2gj4 h ALA 345 Ca 0.00 -0.01 -0.04 0.00 0.00 0.00 0.00 54.91 54.87 2gj4 h ALA 345 Cb 0.06 -0.07 0.01 0.00 0.00 0.00 0.00 17.79 17.78 2gj4 h ALA 345 CO 0.00 -0.22 -0.34 0.82 0.00 0.00 0.00 179.25 179.50 2gj4 h ILE 346 N 0.38 0.00 0.00 0.00 2.04 -1.66 -0.46 117.51 117.81 2gj4 h ILE 346 Ca 0.30 -0.29 -0.04 0.00 1.00 0.00 0.00 64.86 65.82 2gj4 h ILE 346 Cb 0.64 0.00 -0.01 0.00 -0.74 0.00 0.00 36.82 36.72 2gj4 h ILE 346 CO -0.08 0.00 -0.21 1.55 0.00 0.00 0.00 178.15 179.41 2gj4 h PRO 347 N -1.25 0.00 -0.43 2.37 0.13 -1.76 -2.68 132.00 128.38 2gj4 h PRO 347 Ca -0.10 0.00 -0.05 0.00 -0.87 0.00 0.00 66.00 64.98 2gj4 h PRO 347 Cb 0.74 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 31.85 2gj4 h PRO 347 CO 0.16 0.21 0.07 1.49 -0.23 0.00 0.00 178.00 179.70 2gj4 h GLU 348 N 0.00 0.70 -0.60 0.86 4.57 -1.05 -0.04 114.58 119.03 2gj4 h GLU 348 Ca -0.00 -0.19 -0.02 0.00 -1.18 0.00 0.00 59.36 57.97 2gj4 h GLU 348 Cb 0.37 -0.08 -0.03 0.00 -0.16 0.00 0.00 28.75 28.85 2gj4 h GLU 348 CO 0.03 0.74 0.31 1.25 -1.18 0.00 0.00 179.01 180.15 2gj4 h LEU 349 N 0.56 0.76 -1.09 1.64 5.85 -0.98 -1.49 115.31 120.57 2gj4 h LEU 349 Ca 0.13 -0.11 0.00 0.00 0.84 0.00 0.00 57.88 58.74 2gj4 h LEU 349 Cb 0.37 -0.20 -0.04 0.00 0.37 0.00 0.00 40.66 41.16 2gj4 h LEU 349 CO 0.01 0.66 0.58 0.24 -0.34 0.00 0.00 178.44 179.58 2gj4 h MET 350 N 0.81 1.19 -0.31 1.25 2.86 -1.34 -1.31 114.93 118.09 2gj4 h MET 350 Ca 0.21 -0.08 -0.01 0.00 -2.06 0.00 0.00 59.70 57.75 2gj4 h MET 350 Cb 0.08 -0.26 -0.01 0.00 0.06 0.00 0.00 31.60 31.46 2gj4 h MET 350 CO -0.03 0.80 0.15 -0.09 1.06 0.00 0.00 176.91 178.80 2gj4 h ARG 351 N 1.22 0.44 -0.13 1.72 2.43 -0.42 -1.32 114.38 118.32 2gj4 h ARG 351 Ca 0.33 -0.07 -0.02 0.00 -0.81 0.00 0.00 59.98 59.41 2gj4 h ARG 351 Cb -0.11 -0.08 -0.00 0.00 -0.42 0.00 0.00 29.97 29.35 2gj4 h ARG 351 CO -0.07 0.42 0.01 0.28 -1.51 0.00 0.00 179.97 179.11 2gj4 h VAL 352 N 0.36 1.23 -0.61 0.20 2.07 -0.99 0.38 116.25 118.90 2gj4 h VAL 352 Ca 0.11 -0.75 -0.05 0.00 0.82 0.00 0.00 66.70 66.82 2gj4 h VAL 352 Cb 0.12 1.48 -0.03 0.00 -1.52 0.00 0.00 31.29 31.35 2gj4 h VAL 352 CO -0.01 0.22 0.17 -0.07 0.02 0.00 0.00 177.57 177.90 2gj4 h LEU 353 N -0.02 0.90 0.00 2.57 3.38 -1.20 -0.82 115.31 120.12 2gj4 h LEU 353 Ca 0.04 -0.22 -0.01 0.00 0.09 0.00 0.00 57.88 57.78 2gj4 h LEU 353 Cb 0.33 -0.24 -0.00 0.00 0.09 0.00 0.00 40.66 40.84 2gj4 h LEU 353 CO 0.00 0.88 -0.08 0.58 0.09 0.00 0.00 178.44 179.91 2gj4 h VAL 354 N 0.87 0.90 0.04 1.22 2.07 -1.24 0.07 116.25 120.17 2gj4 h VAL 354 Ca 0.19 -1.70 -0.22 0.00 0.82 0.00 0.00 66.70 65.79 2gj4 h VAL 354 Cb 0.31 1.73 -0.01 0.00 -1.52 0.00 0.00 31.29 31.81 2gj4 h VAL 354 CO -0.00 0.31 -1.00 0.44 0.02 0.00 0.00 177.57 177.33 2gj4 h ASP 355 N -1.00 0.29 0.00 0.57 3.32 -1.02 -2.76 116.42 115.82 2gj4 h ASP 355 Ca -0.02 -0.27 -0.32 0.00 0.02 0.00 0.00 57.03 56.45 2gj4 h ASP 355 Cb 0.56 -0.09 -0.05 0.00 0.22 0.00 0.00 39.33 39.97 2gj4 h ASP 355 CO -0.01 1.13 -2.12 0.18 -1.72 0.00 0.00 179.24 176.69 2gj4 n LEU 356 N -3.59 2.25 0.07 1.55 4.77 -0.72 -4.58 117.00 116.75 2gj4 n LEU 356 Ca -0.05 0.07 0.12 0.00 -0.03 0.00 0.00 56.01 56.12 2gj4 n LEU 356 Cb 0.89 -0.64 0.23 0.00 -2.33 0.00 0.00 43.42 41.56 2gj4 n LEU 356 CO 0.50 0.64 0.47 -0.62 -1.33 0.00 0.00 177.39 177.05 2gj4 n GLU 357 N -3.48 0.28 -3.05 3.23 -0.58 -0.39 -4.98 120.64 111.68 2gj4 n GLU 357 Ca -0.37 0.12 -0.17 0.00 -0.42 0.00 0.00 57.16 56.31 2gj4 n GLU 357 Cb 0.83 -1.71 0.04 0.00 -0.57 0.00 0.00 31.44 30.03 2gj4 n GLU 357 CO 0.00 0.00 0.00 0.54 -0.48 0.00 0.00 177.13 177.19 2gj4 n ARG 358 N -2.14 -4.71 -2.15 3.49 1.74 -0.40 -4.96 116.66 107.53 2gj4 n ARG 358 Ca 0.04 0.66 -0.32 0.00 -0.77 0.00 0.00 57.85 57.45 2gj4 n ARG 358 Cb 0.44 -5.06 -0.00 0.00 -1.02 0.00 0.00 32.46 26.81 2gj4 n ARG 358 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 2gj4 s LEU 359 N -5.40 3.53 0.52 0.55 1.02 -0.13 -4.98 118.68 113.79 2gj4 s LEU 359 Ca 0.32 1.72 -0.19 0.00 0.02 0.00 0.00 54.13 56.00 2gj4 s LEU 359 Cb -0.14 -4.52 -0.07 0.00 0.02 0.00 0.00 46.19 41.48 2gj4 s LEU 359 CO 0.40 -0.97 1.06 1.51 0.02 0.00 0.00 176.35 178.37 2gj4 s ASP 360 N -2.92 6.11 0.19 2.29 -4.77 -1.26 -4.44 116.67 111.86 2gj4 s ASP 360 Ca 0.62 1.95 -0.15 0.00 -3.30 0.00 0.00 52.55 51.67 2gj4 s ASP 360 Cb -0.14 -2.56 0.17 0.00 -1.09 0.00 0.00 42.92 39.31 2gj4 s ASP 360 CO 0.36 -0.94 1.65 -0.25 0.70 0.00 0.00 175.17 176.68 2gj4 h TRP 361 N 1.25 -0.22 -0.68 2.11 2.91 -1.97 -1.35 115.95 117.99 2gj4 h TRP 361 Ca -0.49 0.04 -0.07 0.00 1.13 0.00 0.00 58.89 59.50 2gj4 h TRP 361 Cb 1.23 0.18 -0.03 0.00 -0.51 0.00 0.00 29.16 30.03 2gj4 h TRP 361 CO 0.56 -0.20 0.14 -0.44 -1.03 0.00 0.00 178.44 177.47 2gj4 h ASP 362 N 0.02 1.05 -0.17 2.65 3.32 -1.99 -0.17 116.42 121.13 2gj4 h ASP 362 Ca 0.25 -0.23 -0.01 0.00 0.02 0.00 0.00 57.03 57.06 2gj4 h ASP 362 Cb 0.39 -0.28 -0.01 0.00 0.22 0.00 0.00 39.33 39.65 2gj4 h ASP 362 CO -0.51 1.02 0.07 0.50 -1.72 0.00 0.00 179.24 178.59 2gj4 h LYS 363 N 1.04 0.25 -0.89 3.56 3.11 -1.86 -1.95 116.57 119.83 2gj4 h LYS 363 Ca 0.21 -0.04 0.03 0.00 -2.81 0.00 0.00 60.65 58.04 2gj4 h LYS 363 Cb 0.39 -0.04 -0.05 0.00 -1.00 0.00 0.00 32.23 31.53 2gj4 h LYS 363 CO 0.01 0.33 0.58 0.00 -2.81 0.00 0.00 179.45 177.56 2gj4 h ALA 364 N 0.91 1.44 -0.22 5.00 0.00 -0.81 -2.30 119.26 123.28 2gj4 h ALA 364 Ca 0.06 -0.04 -0.19 0.00 0.00 0.00 0.00 54.91 54.73 2gj4 h ALA 364 Cb 0.17 -0.31 0.00 0.00 0.00 0.00 0.00 17.79 17.65 2gj4 h ALA 364 CO -0.00 0.47 -0.61 2.35 0.00 0.00 0.00 179.25 181.46 2gj4 h TRP 365 N 1.11 0.97 -0.41 0.00 2.91 -0.94 -1.51 115.95 118.08 2gj4 h TRP 365 Ca 0.35 -0.37 0.09 0.00 1.13 0.00 0.00 58.89 60.09 2gj4 h TRP 365 Cb 0.02 -0.17 -0.08 0.00 -0.51 0.00 0.00 29.16 28.41 2gj4 h TRP 365 CO -0.00 1.18 -0.15 0.93 -1.03 0.00 0.00 178.44 179.37 2gj4 h GLU 366 N 0.57 -0.05 -0.22 2.65 5.08 -0.97 -2.35 114.58 119.27 2gj4 h GLU 366 Ca -0.00 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.34 2gj4 h GLU 366 Cb 1.21 0.01 -0.01 0.00 0.50 0.00 0.00 28.75 30.46 2gj4 h GLU 366 CO 0.13 -0.04 0.08 0.28 -1.00 0.00 0.00 179.01 178.46 2gj4 h VAL 367 N -0.06 1.18 -0.18 3.13 2.07 -1.27 -2.80 116.25 118.32 2gj4 h VAL 367 Ca 0.20 -0.57 0.02 0.00 0.82 0.00 0.00 66.70 67.18 2gj4 h VAL 367 Cb 0.36 1.14 -0.02 0.00 -1.52 0.00 0.00 31.29 31.25 2gj4 h VAL 367 CO -0.46 0.18 0.04 0.74 0.02 0.00 0.00 177.57 178.09 2gj4 h THR 368 N 0.20 0.92 -0.60 2.57 2.02 -1.09 -1.69 112.91 115.24 2gj4 h THR 368 Ca 0.07 -0.04 -0.10 0.00 0.77 0.00 0.00 66.41 67.12 2gj4 h THR 368 Cb 0.21 0.80 -0.02 0.00 -1.74 0.00 0.00 68.15 67.40 2gj4 h THR 368 CO -0.00 0.02 0.00 0.58 0.37 0.00 0.00 175.52 176.49 2gj4 h VAL 369 N 0.11 1.27 0.00 3.16 2.07 -1.44 -1.68 116.25 119.74 2gj4 h VAL 369 Ca 0.08 -1.15 -0.01 0.00 0.82 0.00 0.00 66.70 66.44 2gj4 h VAL 369 Cb 0.07 0.81 -0.00 0.00 -1.52 0.00 0.00 31.29 30.65 2gj4 h VAL 369 CO -0.11 0.42 -0.06 0.11 0.02 0.00 0.00 177.57 177.95 2gj4 h LYS 370 N 0.96 0.00 0.19 1.57 1.57 -1.32 -2.16 116.57 117.38 2gj4 h LYS 370 Ca 0.17 0.00 -0.35 0.00 -1.87 0.00 0.00 60.65 58.60 2gj4 h LYS 370 Cb 0.56 0.00 0.01 0.00 0.08 0.00 0.00 32.23 32.88 2gj4 h LYS 370 CO 0.03 0.06 -1.73 1.15 -0.57 0.00 0.00 179.45 178.39 2gj4 h THR 371 N 0.00 0.96 -2.91 -0.16 2.02 -0.81 -3.47 112.91 108.53 2gj4 h THR 371 Ca -0.00 -2.53 -0.62 0.00 0.77 0.00 0.00 66.41 64.03 2gj4 h THR 371 Cb 0.48 2.78 -0.05 0.00 -1.74 0.00 0.00 68.15 69.62 2gj4 h THR 371 CO 0.01 0.86 -0.38 0.00 0.37 0.00 0.00 175.52 176.38 2gj4 s ALA 373 N -1.30 -0.31 -0.08 0.00 0.00 -0.73 -1.73 121.76 117.60 2gj4 s ALA 373 Ca 0.28 -0.14 0.02 0.00 0.00 0.00 0.00 51.96 52.12 2gj4 s ALA 373 Cb -0.13 0.10 0.01 0.00 0.00 0.00 0.00 23.12 23.10 2gj4 s ALA 373 CO 0.16 -0.20 -0.15 -0.47 0.00 0.00 0.00 175.76 175.10 2gj4 s TYR 374 N -1.34 1.78 -0.20 0.00 5.04 -0.59 -0.79 117.35 121.26 2gj4 s TYR 374 Ca -0.14 -0.74 -0.06 0.00 -2.44 0.00 0.00 57.07 53.69 2gj4 s TYR 374 Cb -0.07 -1.28 -0.03 0.00 0.35 0.00 0.00 41.96 40.92 2gj4 s TYR 374 CO 0.01 -0.37 0.03 0.99 -1.34 0.00 0.00 175.55 174.88 2gj4 s THR 375 N 0.75 4.29 -0.15 4.34 2.01 -0.70 -1.87 115.64 124.31 2gj4 s THR 375 Ca -0.12 -0.20 -0.07 0.00 0.31 0.00 0.00 61.69 61.60 2gj4 s THR 375 Cb -0.16 -2.94 -0.04 0.00 0.01 0.00 0.00 72.50 69.37 2gj4 s THR 375 CO 0.03 0.43 0.12 0.21 -0.69 0.00 0.00 174.62 174.71 2gj4 s ASN 376 N 0.80 6.15 0.00 3.53 3.84 -0.64 -1.45 114.94 127.17 2gj4 s ASN 376 Ca 0.02 0.33 0.05 0.00 0.21 0.00 0.00 52.86 53.46 2gj4 s ASN 376 Cb -0.14 -2.01 -0.01 0.00 -0.55 0.00 0.00 41.25 38.54 2gj4 s ASN 376 CO 0.02 0.31 0.39 1.41 -2.79 0.00 0.00 177.10 176.45 2gj4 n HIS 377 N 2.62 0.00 -3.51 0.43 8.25 -1.26 -4.15 115.22 117.61 2gj4 n HIS 377 Ca -0.18 0.00 -0.10 0.00 -0.26 0.00 0.00 57.72 57.18 2gj4 n HIS 377 Cb 0.54 0.00 -0.03 0.00 1.12 0.00 0.00 29.99 31.62 2gj4 n HIS 377 CO 0.00 0.00 0.00 -0.08 0.64 0.00 0.00 176.34 176.90 2gj4 s THR 378 N -0.97 0.00 -1.38 1.59 -1.32 -1.26 -4.58 115.64 107.73 2gj4 s THR 378 Ca 0.03 0.00 0.15 0.00 -1.21 0.00 0.00 61.69 60.66 2gj4 s THR 378 Cb 0.04 -1.00 0.00 0.00 -1.51 0.00 0.00 72.50 70.03 2gj4 s THR 378 CO 0.13 0.00 0.81 1.33 -2.21 0.00 0.00 174.62 174.68 2gj4 n VAL 379 N 0.06 0.00 -2.14 5.08 0.24 -1.26 -4.98 118.33 115.33 2gj4 n VAL 379 Ca -0.11 -0.35 -0.42 0.00 -2.04 0.00 0.00 64.34 61.41 2gj4 n VAL 379 Cb 0.61 1.18 -0.03 0.00 -1.47 0.00 0.00 33.84 34.13 2gj4 n VAL 379 CO 0.00 0.00 0.00 -0.76 -2.14 0.00 0.00 176.83 173.93 2gj4 s LEU 380 N -1.91 4.29 0.46 1.34 1.43 -1.26 -4.91 118.68 118.12 2gj4 s LEU 380 Ca 0.12 2.10 0.11 0.00 -1.03 0.00 0.00 54.13 55.43 2gj4 s LEU 380 Cb 0.12 -3.54 1.04 0.00 0.03 0.00 0.00 46.19 43.84 2gj4 s LEU 380 CO 0.36 -0.84 2.10 -0.65 0.23 0.00 0.00 176.35 177.55 2gj4 h PRO 381 N 8.80 0.30 0.00 1.29 0.11 -1.98 -2.16 132.00 138.36 2gj4 h PRO 381 Ca -0.36 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.73 2gj4 h PRO 381 Cb 1.16 -0.07 0.00 0.00 0.11 0.00 0.00 31.00 32.20 2gj4 h PRO 381 CO 0.95 0.20 0.00 -0.85 -0.21 0.00 0.00 178.00 178.09 2gj4 n GLU 382 N -4.50 0.04 0.16 1.05 0.00 -1.26 -2.15 120.64 113.97 2gj4 n GLU 382 Ca 0.01 0.22 0.05 0.00 0.00 0.00 0.00 57.16 57.44 2gj4 n GLU 382 Cb 0.08 -1.57 0.06 0.00 0.00 0.00 0.00 31.44 30.01 2gj4 n GLU 382 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 2gj4 h ALA 383 N 2.57 0.75 -2.65 -1.84 0.00 -1.55 -0.41 119.26 116.13 2gj4 h ALA 383 Ca 0.00 -0.36 -0.52 0.00 0.00 0.00 0.00 54.91 54.03 2gj4 h ALA 383 Cb 0.34 -0.06 0.06 0.00 0.00 0.00 0.00 17.79 18.13 2gj4 h ALA 383 CO 0.00 0.49 0.95 -1.17 0.00 0.00 0.00 179.25 179.52 2gj4 s LEU 384 N -6.41 4.37 -0.36 0.00 1.98 -0.92 -4.23 118.68 113.11 2gj4 s LEU 384 Ca 0.05 2.79 -0.29 0.00 -2.89 0.00 0.00 54.13 53.79 2gj4 s LEU 384 Cb 0.07 -3.60 0.02 0.00 0.66 0.00 0.00 46.19 43.34 2gj4 s LEU 384 CO 0.73 -0.91 1.07 -1.61 -1.89 0.00 0.00 176.35 173.73 2gj4 s GLU 385 N 0.99 3.95 -0.41 1.98 2.02 -1.26 -4.75 118.70 121.22 2gj4 s GLU 385 Ca 0.72 0.88 0.01 0.00 0.02 0.00 0.00 54.97 56.60 2gj4 s GLU 385 Cb -0.47 -3.79 0.13 0.00 0.10 0.00 0.00 34.13 30.10 2gj4 s GLU 385 CO 0.33 -1.02 0.21 1.03 0.02 0.00 0.00 175.26 175.83 2gj4 s ARG 386 N 3.82 1.13 0.01 1.61 0.52 -1.26 -1.86 118.95 122.93 2gj4 s ARG 386 Ca 0.45 -1.80 -0.27 0.00 -0.52 0.00 0.00 55.73 53.59 2gj4 s ARG 386 Cb -0.11 -2.21 -0.04 0.00 0.52 0.00 0.00 34.95 33.11 2gj4 s ARG 386 CO 0.20 -1.13 0.86 -1.58 0.02 0.00 0.00 175.30 173.66 2gj4 s TRP 387 N 0.63 3.68 0.22 -0.53 0.52 -0.90 -4.73 118.94 117.83 2gj4 s TRP 387 Ca 0.16 1.56 -0.32 0.00 0.02 0.00 0.00 56.10 57.52 2gj4 s TRP 387 Cb -0.23 -2.96 -0.13 0.00 -1.15 0.00 0.00 33.47 28.99 2gj4 s TRP 387 CO -0.04 0.12 1.50 -2.30 0.02 0.00 0.00 176.95 176.25 2gj4 n PRO 388 N 3.43 2.16 -0.09 4.98 -0.02 -1.26 -0.78 135.00 143.42 2gj4 n PRO 388 Ca 0.02 0.77 0.04 0.00 -2.02 0.00 0.00 63.50 62.31 2gj4 n PRO 388 Cb 0.51 -2.49 0.37 0.00 -0.02 0.00 0.00 33.50 31.87 2gj4 n PRO 388 CO 0.00 0.00 0.00 -0.39 1.98 0.00 0.00 175.50 177.09 2gj4 h VAL 389 N 3.30 1.11 -0.21 -1.45 -1.51 -1.47 -2.33 116.25 113.70 2gj4 h VAL 389 Ca -0.45 -0.24 -0.07 0.00 -1.23 0.00 0.00 66.70 64.70 2gj4 h VAL 389 Cb 1.26 0.34 -0.01 0.00 -2.13 0.00 0.00 31.29 30.75 2gj4 h VAL 389 CO 0.81 0.13 -0.19 -0.74 -1.23 0.00 0.00 177.57 176.35 2gj4 h HIS 390 N 0.71 0.39 -0.22 5.19 -0.00 -1.91 0.86 115.15 120.16 2gj4 h HIS 390 Ca 0.21 -0.06 -0.03 0.00 -0.00 0.00 0.00 60.37 60.49 2gj4 h HIS 390 Cb -0.01 -0.10 -0.01 0.00 -0.00 0.00 0.00 27.41 27.29 2gj4 h HIS 390 CO -0.00 0.54 0.01 1.25 -0.00 0.00 0.00 177.93 179.73 2gj4 h LEU 391 N 0.33 0.38 -0.60 0.26 6.46 -1.80 -1.87 115.31 118.46 2gj4 h LEU 391 Ca 0.06 -0.29 -0.06 0.00 -0.12 0.00 0.00 57.88 57.47 2gj4 h LEU 391 Cb 0.53 -0.10 -0.02 0.00 -0.73 0.00 0.00 40.66 40.33 2gj4 h LEU 391 CO 0.03 0.57 0.13 -0.07 -0.62 0.00 0.00 178.44 178.49 2gj4 h LEU 392 N 0.17 0.92 -0.66 2.25 3.38 -1.34 -1.61 115.31 118.42 2gj4 h LEU 392 Ca 0.07 -0.24 0.07 0.00 0.09 0.00 0.00 57.88 57.87 2gj4 h LEU 392 Cb 0.37 -0.24 -0.06 0.00 0.09 0.00 0.00 40.66 40.82 2gj4 h LEU 392 CO 0.01 0.92 0.34 -0.08 0.09 0.00 0.00 178.44 179.72 2gj4 h GLU 393 N 0.88 0.59 0.06 1.13 4.81 -0.70 0.27 114.58 121.62 2gj4 h GLU 393 Ca 0.19 -0.04 -0.00 0.00 -0.13 0.00 0.00 59.36 59.38 2gj4 h GLU 393 Cb 0.37 -0.13 0.00 0.00 0.63 0.00 0.00 28.75 29.62 2gj4 h GLU 393 CO 0.00 0.39 -0.03 1.15 -0.73 0.00 0.00 179.01 179.80 2gj4 h THR 394 N 0.61 1.27 0.05 0.32 2.02 -1.21 -3.15 112.91 112.82 2gj4 h THR 394 Ca 0.31 -1.31 -0.27 0.00 0.77 0.00 0.00 66.41 65.90 2gj4 h THR 394 Cb 0.25 2.10 0.02 0.00 -1.74 0.00 0.00 68.15 68.79 2gj4 h THR 394 CO -0.22 0.32 -1.10 0.25 0.37 0.00 0.00 175.52 175.14 2gj4 h LEU 395 N -0.69 0.88 -5.98 2.58 5.85 -1.22 -3.39 115.31 113.34 2gj4 h LEU 395 Ca -0.01 -0.77 -0.54 0.00 0.84 0.00 0.00 57.88 57.40 2gj4 h LEU 395 Cb 0.58 -0.27 -0.40 0.00 0.37 0.00 0.00 40.66 40.94 2gj4 h LEU 395 CO 0.01 1.55 -1.06 0.18 -0.34 0.00 0.00 178.44 178.79 2gj4 n LEU 396 N -3.85 0.99 -0.35 2.25 4.77 0.93 -0.66 117.00 121.08 2gj4 n LEU 396 Ca -0.12 -4.93 0.00 0.00 -0.03 0.00 0.00 56.01 50.94 2gj4 n LEU 396 Cb 0.91 0.47 0.14 0.00 -2.33 0.00 0.00 43.42 42.62 2gj4 n LEU 396 CO 0.56 2.16 1.25 1.55 -1.33 0.00 0.00 177.39 181.59 2gj4 h PRO 397 N 3.63 1.14 -0.32 3.23 0.13 -1.52 -2.34 132.00 135.95 2gj4 h PRO 397 Ca 0.10 -0.07 -0.12 0.00 -0.87 0.00 0.00 66.00 65.04 2gj4 h PRO 397 Cb 0.87 -0.26 -0.01 0.00 0.13 0.00 0.00 31.00 31.73 2gj4 h PRO 397 CO 0.53 0.76 -0.29 -0.09 -0.23 0.00 0.00 178.00 178.68 2gj4 h ARG 398 N 1.18 0.66 -0.57 0.86 9.65 -1.90 -2.71 114.38 121.55 2gj4 h ARG 398 Ca 0.39 -0.29 -0.06 0.00 -1.10 0.00 0.00 59.98 58.92 2gj4 h ARG 398 Cb 0.06 -0.02 -0.02 0.00 -1.39 0.00 0.00 29.97 28.59 2gj4 h ARG 398 CO -0.14 0.88 0.10 0.45 2.80 0.00 0.00 179.97 184.06 2gj4 h HIS 399 N 0.57 0.95 -0.40 2.20 3.86 -1.80 -1.87 115.15 118.66 2gj4 h HIS 399 Ca 0.07 -0.11 -0.06 0.00 -1.16 0.00 0.00 60.37 59.11 2gj4 h HIS 399 Cb 0.79 -0.27 -0.01 0.00 1.06 0.00 0.00 27.41 28.97 2gj4 h HIS 399 CO 0.04 0.81 0.01 1.25 0.86 0.00 0.00 177.93 180.90 2gj4 h LEU 400 N 0.87 0.68 -0.58 2.43 5.85 -1.32 -0.19 115.31 123.04 2gj4 h LEU 400 Ca 0.18 -0.30 0.09 0.00 0.84 0.00 0.00 57.88 58.69 2gj4 h LEU 400 Cb 0.37 -0.18 -0.07 0.00 0.37 0.00 0.00 40.66 41.15 2gj4 h LEU 400 CO 0.01 0.81 0.20 1.56 -0.34 0.00 0.00 178.44 180.68 2gj4 h GLN 401 N 0.52 0.35 -0.43 1.25 4.20 -1.30 -1.23 115.11 118.48 2gj4 h GLN 401 Ca 0.11 -0.02 -0.07 0.00 0.06 0.00 0.00 58.65 58.73 2gj4 h GLN 401 Cb 0.46 -0.08 -0.02 0.00 0.30 0.00 0.00 27.48 28.15 2gj4 h GLN 401 CO 0.02 0.23 0.00 0.82 -0.67 0.00 0.00 178.83 179.24 2gj4 h ILE 402 N 0.36 1.26 -0.46 2.54 2.04 -1.10 -2.37 117.51 119.79 2gj4 h ILE 402 Ca 0.29 -1.02 0.03 0.00 1.00 0.00 0.00 64.86 65.16 2gj4 h ILE 402 Cb 0.37 1.07 -0.03 0.00 -0.74 0.00 0.00 36.82 37.48 2gj4 h ILE 402 CO -0.31 0.35 0.25 0.40 0.00 0.00 0.00 178.15 178.84 2gj4 h ILE 403 N 0.60 1.01 -0.86 -0.67 2.04 -0.65 0.05 117.51 119.02 2gj4 h ILE 403 Ca 0.12 -0.17 0.03 0.00 1.00 0.00 0.00 64.86 65.84 2gj4 h ILE 403 Cb 0.48 0.46 -0.05 0.00 -0.74 0.00 0.00 36.82 36.97 2gj4 h ILE 403 CO 0.02 0.09 0.57 1.88 0.00 0.00 0.00 178.15 180.71 2gj4 h TYR 404 N 0.51 1.05 -0.25 1.37 0.05 -1.10 -0.19 116.97 118.40 2gj4 h TYR 404 Ca 0.19 0.03 -0.11 0.00 0.05 0.00 0.00 58.73 58.89 2gj4 h TYR 404 Cb 0.06 -0.35 -0.00 0.00 1.01 0.00 0.00 36.73 37.45 2gj4 h TYR 404 CO -0.08 0.62 -0.28 1.49 -1.05 0.00 0.00 178.16 178.85 2gj4 h GLU 405 N 1.09 0.64 -0.54 4.88 4.57 -0.86 -1.74 114.58 122.62 2gj4 h GLU 405 Ca 0.34 -0.35 0.09 0.00 -1.18 0.00 0.00 59.36 58.25 2gj4 h GLU 405 Cb -0.00 0.02 -0.07 0.00 -0.16 0.00 0.00 28.75 28.54 2gj4 h GLU 405 CO -0.10 0.96 0.16 0.82 -1.18 0.00 0.00 179.01 179.67 2gj4 h ILE 406 N 0.35 0.76 -0.43 2.32 2.04 -0.70 -2.42 117.51 119.43 2gj4 h ILE 406 Ca 0.04 -0.11 -0.01 0.00 1.00 0.00 0.00 64.86 65.78 2gj4 h ILE 406 Cb 0.85 0.41 -0.02 0.00 -0.74 0.00 0.00 36.82 37.32 2gj4 h ILE 406 CO 0.07 0.06 0.24 -1.13 0.00 0.00 0.00 178.15 177.39 2gj4 h ASN 407 N 0.33 0.54 -0.17 1.72 -1.24 -0.88 -0.93 115.58 114.95 2gj4 h ASN 407 Ca 0.27 -0.09 -0.00 0.00 0.71 0.00 0.00 56.30 57.19 2gj4 h ASN 407 Cb 0.34 -0.14 -0.01 0.00 0.73 0.00 0.00 38.32 39.24 2gj4 h ASN 407 CO -0.30 0.48 0.10 -0.61 -1.29 0.00 0.00 177.43 175.80 2gj4 h GLN 408 N 0.57 0.24 -0.48 6.67 5.75 -1.08 -0.68 115.11 126.10 2gj4 h GLN 408 Ca 0.15 -0.03 -0.10 0.00 -0.15 0.00 0.00 58.65 58.53 2gj4 h GLN 408 Cb 0.05 -0.05 -0.02 0.00 1.07 0.00 0.00 27.48 28.54 2gj4 h GLN 408 CO -0.02 0.23 -0.09 0.00 -2.65 0.00 0.00 178.83 176.29 2gj4 h ARG 409 N 0.19 0.86 -0.33 1.69 3.08 -1.38 -1.53 114.38 116.96 2gj4 h ARG 409 Ca 0.06 -0.29 -0.04 0.00 0.07 0.00 0.00 59.98 59.79 2gj4 h ARG 409 Cb 0.05 -0.07 -0.01 0.00 0.08 0.00 0.00 29.97 30.02 2gj4 h ARG 409 CO -0.01 0.91 0.06 0.35 -1.07 0.00 0.00 179.97 180.22 2gj4 h PHE 410 N 0.78 0.57 0.00 3.04 3.57 -1.05 -2.69 116.94 121.16 2gj4 h PHE 410 Ca 0.13 -0.08 -0.09 0.00 3.53 0.00 0.00 57.97 61.47 2gj4 h PHE 410 Cb 0.59 -0.16 -0.01 0.00 2.79 0.00 0.00 35.95 39.16 2gj4 h PHE 410 CO 0.03 0.60 -0.42 -0.07 -2.23 0.00 0.00 178.31 176.23 2gj4 h LEU 411 N 0.37 0.00 -1.19 0.59 3.38 -1.00 -2.02 115.31 115.45 2gj4 h LEU 411 Ca 0.10 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 58.05 2gj4 h LEU 411 Cb 0.33 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.05 2gj4 h LEU 411 CO 0.00 0.42 0.26 0.78 0.09 0.00 0.00 178.44 179.99 2gj4 h ASN 412 N 0.00 0.74 -0.49 -0.43 2.35 -1.18 0.93 115.58 117.50 2gj4 h ASN 412 Ca -0.00 -0.08 -0.08 0.00 -0.55 0.00 0.00 56.30 55.58 2gj4 h ASN 412 Cb 0.81 -0.19 -0.02 0.00 0.05 0.00 0.00 38.32 38.97 2gj4 h ASN 412 CO 0.05 0.65 -0.01 0.03 -1.65 0.00 0.00 177.43 176.50 2gj4 h ARG 413 N 0.82 0.88 -0.33 0.81 3.08 -1.05 -2.00 114.38 116.59 2gj4 h ARG 413 Ca 0.20 -0.29 -0.02 0.00 0.07 0.00 0.00 59.98 59.95 2gj4 h ARG 413 Cb 0.11 -0.08 -0.01 0.00 0.08 0.00 0.00 29.97 30.07 2gj4 h ARG 413 CO -0.02 0.92 0.14 0.28 -1.07 0.00 0.00 179.97 180.22 2gj4 h VAL 414 N 0.73 1.18 -0.76 2.04 2.07 -1.02 -2.00 116.25 118.50 2gj4 h VAL 414 Ca 0.14 -0.54 -0.02 0.00 0.82 0.00 0.00 66.70 67.10 2gj4 h VAL 414 Cb 0.53 0.91 -0.04 0.00 -1.52 0.00 0.00 31.29 31.18 2gj4 h VAL 414 CO 0.03 0.19 0.40 0.00 0.02 0.00 0.00 177.57 178.21 2gj4 h ALA 415 N 0.99 1.28 -0.47 1.67 0.00 -0.76 -0.15 119.26 121.81 2gj4 h ALA 415 Ca 0.11 -0.12 -0.12 0.00 0.00 0.00 0.00 54.91 54.78 2gj4 h ALA 415 Cb 0.17 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 17.64 2gj4 h ALA 415 CO -0.01 0.58 -0.18 0.00 0.00 0.00 0.00 179.25 179.64 2gj4 h ALA 416 N 1.38 0.80 -0.06 0.00 0.00 -1.25 -2.83 119.26 117.29 2gj4 h ALA 416 Ca 0.27 -0.37 -0.19 0.00 0.00 0.00 0.00 54.91 54.62 2gj4 h ALA 416 Cb 0.05 -0.17 -0.00 0.00 0.00 0.00 0.00 17.79 17.66 2gj4 h ALA 416 CO -0.04 0.66 -0.78 0.00 0.00 0.00 0.00 179.25 179.08 2gj4 h ALA 417 N 0.98 0.53 -2.08 0.00 0.00 -0.80 -3.38 119.26 114.52 2gj4 h ALA 417 Ca 0.12 -0.63 -0.57 0.00 0.00 0.00 0.00 54.91 53.83 2gj4 h ALA 417 Cb 0.72 -0.05 -0.40 0.00 0.00 0.00 0.00 17.79 18.06 2gj4 h ALA 417 CO 0.06 0.78 -0.92 1.19 0.00 0.00 0.00 179.25 180.36 2gj4 n PHE 418 N -3.82 1.28 -1.82 0.00 3.72 -0.12 -5.10 117.46 111.60 2gj4 n PHE 418 Ca -0.05 -3.81 -0.42 0.00 -0.05 0.00 0.00 57.45 53.12 2gj4 n PHE 418 Cb 0.74 -0.43 -0.03 0.00 -0.94 0.00 0.00 39.48 38.81 2gj4 n PHE 418 CO 0.00 0.00 0.00 -2.14 -0.05 0.00 0.00 176.76 174.57 2gj4 s PRO 419 N -1.84 4.17 0.00 -1.08 0.02 -1.07 -1.92 135.00 133.27 2gj4 s PRO 419 Ca 0.38 2.48 0.00 0.00 0.02 0.00 0.00 61.00 63.88 2gj4 s PRO 419 Cb 0.18 -3.43 0.00 0.00 0.02 0.00 0.00 34.50 31.27 2gj4 s PRO 419 CO -0.08 -0.75 0.00 0.41 -0.33 0.00 0.00 177.00 176.25 2gj4 n GLY 420 N 4.04 1.77 3.58 0.52 0.00 -1.26 -4.98 105.19 108.85 2gj4 n GLY 420 Ca 0.16 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.77 2gj4 n GLY 420 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2gj4 s ASP 421 N -3.23 6.55 0.11 1.61 -1.08 -0.81 -4.79 116.67 115.03 2gj4 s ASP 421 Ca 0.00 -2.19 -0.14 0.00 -0.52 0.00 0.00 52.55 49.70 2gj4 s ASP 421 Cb 0.00 -2.58 -0.07 0.00 -1.46 0.00 0.00 42.92 38.81 2gj4 s ASP 421 CO 0.00 -1.47 1.44 0.58 0.52 0.00 0.00 175.17 176.24 2gj4 h VAL 422 N 5.84 1.29 -0.29 1.11 2.07 -1.93 -3.03 116.25 121.32 2gj4 h VAL 422 Ca 0.38 -1.45 -0.05 0.00 0.82 0.00 0.00 66.70 66.41 2gj4 h VAL 422 Cb 0.90 1.51 -0.02 0.00 -1.52 0.00 0.00 31.29 32.16 2gj4 h VAL 422 CO 1.42 0.47 -0.02 -2.24 0.02 0.00 0.00 177.57 177.22 2gj4 h ASP 423 N 0.52 0.41 -0.62 0.57 3.04 -2.00 -2.06 116.42 116.28 2gj4 h ASP 423 Ca 0.05 -0.07 0.04 0.00 -3.24 0.00 0.00 57.03 53.81 2gj4 h ASP 423 Cb 0.85 -0.11 -0.04 0.00 -1.04 0.00 0.00 39.33 38.99 2gj4 h ASP 423 CO 0.07 0.49 0.36 -0.09 -2.04 0.00 0.00 179.24 178.04 2gj4 h ARG 424 N 0.42 0.67 -0.59 4.15 2.43 -1.94 -0.27 114.38 119.26 2gj4 h ARG 424 Ca 0.09 -0.04 0.06 0.00 -0.81 0.00 0.00 59.98 59.28 2gj4 h ARG 424 Cb 0.32 -0.15 -0.05 0.00 -0.42 0.00 0.00 29.97 29.66 2gj4 h ARG 424 CO 0.01 0.45 0.29 -0.07 -1.51 0.00 0.00 179.97 179.14 2gj4 h LEU 425 N 0.69 0.41 -0.45 3.80 3.38 -1.27 -0.92 115.31 120.94 2gj4 h LEU 425 Ca 0.26 0.04 -0.01 0.00 0.09 0.00 0.00 57.88 58.26 2gj4 h LEU 425 Cb 0.09 -0.03 -0.02 0.00 0.09 0.00 0.00 40.66 40.78 2gj4 h LEU 425 CO -0.13 0.27 0.26 -0.09 0.09 0.00 0.00 178.44 178.83 2gj4 h ARG 426 N 0.55 0.63 -0.31 1.13 2.43 -0.94 -2.22 114.38 115.65 2gj4 h ARG 426 Ca 0.27 -0.07 -0.10 0.00 -0.81 0.00 0.00 59.98 59.27 2gj4 h ARG 426 Cb 0.21 -0.13 -0.01 0.00 -0.42 0.00 0.00 29.97 29.62 2gj4 h ARG 426 CO -0.20 0.48 -0.24 0.00 -1.51 0.00 0.00 179.97 178.51 2gj4 h ARG 427 N 0.60 0.59 0.00 0.20 3.08 -0.69 -3.25 114.38 114.91 2gj4 h ARG 427 Ca 0.16 -0.23 0.00 0.00 0.07 0.00 0.00 59.98 59.98 2gj4 h ARG 427 Cb 0.03 -0.03 0.00 0.00 0.08 0.00 0.00 29.97 30.05 2gj4 h ARG 427 CO -0.03 0.78 -0.78 0.52 -1.07 0.00 0.00 179.97 179.40 2gj4 h MET 428 N 0.52 0.00 -6.69 0.04 2.86 -1.07 -3.48 114.93 107.11 2gj4 h MET 428 Ca 0.08 0.00 -0.58 0.00 -2.06 0.00 0.00 59.70 57.14 2gj4 h MET 428 Cb 0.69 0.00 0.12 0.00 0.06 0.00 0.00 31.60 32.47 2gj4 h MET 428 CO 0.05 0.00 0.31 0.45 1.06 0.00 0.00 176.91 178.78 2gj4 n SER 429 N -2.59 1.90 0.26 1.22 2.88 -0.85 -4.90 113.62 111.55 2gj4 n SER 429 Ca 0.01 1.11 0.14 0.00 -1.33 0.00 0.00 58.87 58.80 2gj4 n SER 429 Cb 0.52 -1.41 0.64 0.00 -0.75 0.00 0.00 64.21 63.22 2gj4 n SER 429 CO 0.00 0.00 0.00 -0.07 -1.23 0.00 0.00 175.04 173.74 2gj4 h LEU 430 N 1.95 0.00 -9.10 2.46 4.07 -1.91 -3.43 115.31 109.35 2gj4 h LEU 430 Ca -0.45 0.00 -0.61 0.00 0.08 0.00 0.00 57.88 56.90 2gj4 h LEU 430 Cb 1.32 0.00 -0.13 0.00 1.08 0.00 0.00 40.66 42.92 2gj4 h LEU 430 CO 0.59 0.12 -0.38 -0.69 -1.08 0.00 0.00 178.44 177.00 2gj4 s VAL 431 N -3.82 5.29 -0.24 1.22 1.01 -1.26 -1.39 120.40 121.22 2gj4 s VAL 431 Ca -0.00 0.39 -0.09 0.00 0.00 0.00 0.00 61.98 62.28 2gj4 s VAL 431 Cb 0.11 -3.59 -0.04 0.00 0.00 0.00 0.00 36.38 32.85 2gj4 s VAL 431 CO 0.58 0.30 0.12 -1.61 0.00 0.00 0.00 175.10 174.49 2gj4 s GLU 432 N 1.20 3.91 0.57 2.72 2.02 0.31 -4.98 118.70 124.45 2gj4 s GLU 432 Ca 0.12 -0.35 -0.14 0.00 0.02 0.00 0.00 54.97 54.62 2gj4 s GLU 432 Cb -0.14 -3.44 -0.06 0.00 0.10 0.00 0.00 34.13 30.60 2gj4 s GLU 432 CO 0.06 -0.01 1.01 -1.21 0.02 0.00 0.00 175.26 175.13 2gj4 s GLU 433 N 1.21 3.71 0.00 1.61 0.41 -1.26 -1.79 118.70 122.59 2gj4 s GLU 433 Ca 0.06 0.89 0.00 0.00 -0.41 0.00 0.00 54.97 55.51 2gj4 s GLU 433 Cb -0.14 -2.10 0.00 0.00 -1.78 0.00 0.00 34.13 30.11 2gj4 s GLU 433 CO 0.05 -0.47 0.00 0.41 -0.49 0.00 0.00 175.26 174.75 2gj4 n GLY 434 N -2.03 -1.38 0.37 -1.39 0.00 -1.26 -4.89 105.19 94.61 2gj4 n GLY 434 Ca 0.07 -1.36 -0.00 0.00 0.00 0.00 0.00 46.02 44.72 2gj4 n GLY 434 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2gj4 h ALA 435 N 0.00 1.36 -3.27 4.61 0.00 -2.07 -3.33 119.26 116.56 2gj4 h ALA 435 Ca 0.00 -0.06 -0.67 0.00 0.00 0.00 0.00 54.91 54.18 2gj4 h ALA 435 Cb 0.00 -0.36 -0.31 0.00 0.00 0.00 0.00 17.79 17.12 2gj4 h ALA 435 CO 0.00 0.58 -0.72 0.08 0.00 0.00 0.00 179.25 179.19 2gj4 s VAL 436 N -6.03 3.05 0.24 0.00 1.01 -1.26 -5.11 120.40 112.31 2gj4 s VAL 436 Ca -0.12 -1.03 -0.30 0.00 0.00 0.00 0.00 61.98 60.53 2gj4 s VAL 436 Cb 0.18 -2.59 -0.09 0.00 0.00 0.00 0.00 36.38 33.89 2gj4 s VAL 436 CO 0.81 0.13 1.21 -0.75 0.00 0.00 0.00 175.10 176.50 2gj4 s LYS 437 N 1.34 4.50 0.14 2.72 2.20 -1.25 -4.86 119.74 124.52 2gj4 s LYS 437 Ca -0.00 1.94 0.01 0.00 -0.36 0.00 0.00 55.97 57.56 2gj4 s LYS 437 Cb -0.17 -3.19 -0.04 0.00 -1.51 0.00 0.00 37.83 32.92 2gj4 s LYS 437 CO -0.03 -0.04 -0.01 1.03 -0.36 0.00 0.00 175.35 175.94 2gj4 s ARG 438 N -0.86 0.98 -0.24 4.03 0.52 -0.74 -1.16 118.95 121.48 2gj4 s ARG 438 Ca 0.50 -1.45 -0.08 0.00 -0.52 0.00 0.00 55.73 54.18 2gj4 s ARG 438 Cb -0.34 -0.16 -0.04 0.00 0.52 0.00 0.00 34.95 34.93 2gj4 s ARG 438 CO 0.41 -0.11 0.09 0.42 0.02 0.00 0.00 175.30 176.13 2gj4 s ILE 439 N -3.71 4.62 -0.43 1.52 -1.09 0.04 -0.53 121.20 121.62 2gj4 s ILE 439 Ca 0.20 -0.07 -0.29 0.00 -2.23 0.00 0.00 60.65 58.25 2gj4 s ILE 439 Cb 0.06 -3.14 0.03 0.00 -1.58 0.00 0.00 42.46 37.82 2gj4 s ILE 439 CO 0.00 0.36 1.10 0.21 -1.23 0.00 0.00 174.94 175.38 2gj4 s ASN 440 N 1.28 6.71 0.32 3.58 3.84 -0.48 -2.11 114.94 128.09 2gj4 s ASN 440 Ca 0.05 0.62 0.17 0.00 0.21 0.00 0.00 52.86 53.91 2gj4 s ASN 440 Cb -0.15 -2.54 0.34 0.00 -0.55 0.00 0.00 41.25 38.36 2gj4 s ASN 440 CO 0.04 -1.13 1.57 0.24 -2.79 0.00 0.00 177.10 175.04 2gj4 h MET 441 N 8.88 0.00 -0.54 0.43 2.86 -1.69 -2.72 114.93 122.14 2gj4 h MET 441 Ca -0.22 0.00 -0.04 0.00 -2.06 0.00 0.00 59.70 57.37 2gj4 h MET 441 Cb 1.06 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 32.70 2gj4 h MET 441 CO 1.09 0.45 0.17 0.00 1.06 0.00 0.00 176.91 179.68 2gj4 h ALA 442 N 1.55 0.71 -0.83 6.32 0.00 -1.92 -1.81 119.26 123.28 2gj4 h ALA 442 Ca -0.00 -0.19 -0.03 0.00 0.00 0.00 0.00 54.91 54.68 2gj4 h ALA 442 Cb 1.18 -0.21 -0.04 0.00 0.00 0.00 0.00 17.79 18.72 2gj4 h ALA 442 CO 0.06 0.37 0.38 0.45 0.00 0.00 0.00 179.25 180.52 2gj4 h HIS 443 N 0.75 1.21 -0.55 0.00 3.86 -1.90 -1.72 115.15 116.79 2gj4 h HIS 443 Ca 0.17 -0.07 0.00 0.00 -1.16 0.00 0.00 60.37 59.32 2gj4 h HIS 443 Cb 0.28 -0.37 -0.03 0.00 1.06 0.00 0.00 27.41 28.36 2gj4 h HIS 443 CO 0.02 0.88 0.36 1.25 0.86 0.00 0.00 177.93 181.29 2gj4 h LEU 444 N 1.18 0.64 -0.55 2.43 5.85 -1.37 -2.25 115.31 121.24 2gj4 h LEU 444 Ca 0.28 -0.03 -0.02 0.00 0.84 0.00 0.00 57.88 58.95 2gj4 h LEU 444 Cb 0.14 -0.16 -0.03 0.00 0.37 0.00 0.00 40.66 40.98 2gj4 h LEU 444 CO -0.03 0.48 0.27 0.00 -0.34 0.00 0.00 178.44 178.82 2gj4 h ILE 446 N 0.73 1.27 -0.80 0.00 2.04 -1.23 -2.22 117.51 117.30 2gj4 h ILE 446 Ca 0.19 -1.04 -0.01 0.00 1.00 0.00 0.00 64.86 65.00 2gj4 h ILE 446 Cb 0.10 1.22 -0.04 0.00 -0.74 0.00 0.00 36.82 37.36 2gj4 h ILE 446 CO -0.03 0.34 0.46 0.00 0.00 0.00 0.00 178.15 178.93 2gj4 h ALA 447 N 0.85 1.30 -0.55 1.87 0.00 -1.32 -3.10 119.26 118.31 2gj4 h ALA 447 Ca 0.10 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.90 2gj4 h ALA 447 Cb 0.50 -0.32 0.00 0.00 0.00 0.00 0.00 17.79 17.97 2gj4 h ALA 447 CO 0.02 0.58 0.00 0.41 0.00 0.00 0.00 179.25 180.27 2gj4 n GLY 448 N -1.23 1.63 3.30 0.00 0.00 -0.64 -4.94 105.19 103.31 2gj4 n GLY 448 Ca 0.08 -0.62 -0.28 0.00 0.00 0.00 0.00 46.02 45.21 2gj4 n GLY 448 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2gj4 s SER 449 N -1.05 2.81 0.05 1.61 0.01 -0.85 -4.00 113.70 112.29 2gj4 s SER 449 Ca 0.38 -0.57 0.26 0.00 1.31 0.00 0.00 55.95 57.34 2gj4 s SER 449 Cb 0.20 -0.24 0.74 0.00 0.21 0.00 0.00 66.02 66.93 2gj4 s SER 449 CO 0.26 0.20 1.60 0.00 0.41 0.00 0.00 173.24 175.72 2gj4 n HIS 450 N 1.76 0.21 -3.80 2.43 1.44 -0.71 -4.84 115.22 111.72 2gj4 n HIS 450 Ca -0.17 0.06 -0.13 0.00 -2.01 0.00 0.00 57.72 55.48 2gj4 n HIS 450 Cb 0.53 -0.49 -0.11 0.00 0.12 0.00 0.00 29.99 30.04 2gj4 n HIS 450 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 2gj4 s ALA 451 N -3.04 -0.56 -0.08 1.59 0.00 -1.26 -4.56 121.76 113.84 2gj4 s ALA 451 Ca 0.11 0.55 0.01 0.00 0.00 0.00 0.00 51.96 52.63 2gj4 s ALA 451 Cb 0.17 -0.30 0.02 0.00 0.00 0.00 0.00 23.12 23.01 2gj4 s ALA 451 CO 0.64 -0.13 -0.08 0.08 0.00 0.00 0.00 175.76 176.27 2gj4 s VAL 452 N -0.13 0.94 0.01 0.00 1.01 -0.26 -1.55 120.40 120.42 2gj4 s VAL 452 Ca -0.02 -0.30 0.05 0.00 0.00 0.00 0.00 61.98 61.70 2gj4 s VAL 452 Cb -0.02 -0.93 -0.02 0.00 0.00 0.00 0.00 36.38 35.41 2gj4 s VAL 452 CO 0.01 0.33 -0.14 0.54 0.00 0.00 0.00 175.10 175.84 2gj4 s ASN 453 N 1.22 1.67 0.82 3.32 4.22 -0.78 -0.61 114.94 124.80 2gj4 s ASN 453 Ca -0.05 -0.35 -0.06 0.00 -2.14 0.00 0.00 52.86 50.26 2gj4 s ASN 453 Cb -0.14 -0.15 0.16 0.00 1.28 0.00 0.00 41.25 42.40 2gj4 s ASN 453 CO -0.02 0.11 1.12 -0.83 -2.04 0.00 0.00 177.10 175.44 2gj4 s GLY 454 N -0.70 1.77 0.00 0.45 0.00 -1.13 -1.61 107.32 106.10 2gj4 s GLY 454 Ca 0.04 -1.60 0.08 0.00 0.00 0.00 0.00 44.72 43.24 2gj4 s GLY 454 CO 0.00 -0.93 0.78 3.33 0.00 0.00 0.00 173.10 176.28 2gj4 n VAL 455 N -3.20 0.05 -3.57 1.40 0.24 -1.26 -2.35 118.33 109.65 2gj4 n VAL 455 Ca 0.16 -0.53 -0.11 0.00 -2.04 0.00 0.00 64.34 61.82 2gj4 n VAL 455 Cb 0.60 1.13 -0.03 0.00 -1.47 0.00 0.00 33.84 34.08 2gj4 n VAL 455 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2gj4 s ALA 456 N -0.69 -1.36 0.15 2.33 0.00 -1.26 -0.71 121.76 120.23 2gj4 s ALA 456 Ca 0.10 0.18 -0.18 0.00 0.00 0.00 0.00 51.96 52.06 2gj4 s ALA 456 Cb 0.07 0.86 0.06 0.00 0.00 0.00 0.00 23.12 24.10 2gj4 s ALA 456 CO 0.10 -0.81 1.69 -0.09 0.00 0.00 0.00 175.76 176.66 2gj4 h ARG 457 N 2.07 0.05 -0.80 0.00 2.43 -1.89 -0.37 114.38 115.86 2gj4 h ARG 457 Ca -0.31 -0.00 -0.01 0.00 -0.81 0.00 0.00 59.98 58.85 2gj4 h ARG 457 Cb 1.29 -0.01 -0.04 0.00 -0.42 0.00 0.00 29.97 30.79 2gj4 h ARG 457 CO 0.36 0.03 0.47 0.97 -1.51 0.00 0.00 179.97 180.29 2gj4 h ILE 458 N 0.05 1.23 -0.02 1.20 2.10 -1.90 -1.80 117.51 118.37 2gj4 h ILE 458 Ca 0.16 -0.52 -0.00 0.00 1.08 0.00 0.00 64.86 65.58 2gj4 h ILE 458 Cb 0.23 0.13 -0.00 0.00 -1.09 0.00 0.00 36.82 36.09 2gj4 h ILE 458 CO -0.30 0.24 0.00 -0.74 -1.08 0.00 0.00 178.15 176.27 2gj4 h HIS 459 N 1.10 0.03 -0.23 2.19 2.76 -1.61 -2.35 115.15 117.03 2gj4 h HIS 459 Ca 0.29 -0.00 -0.02 0.00 -2.20 0.00 0.00 60.37 58.43 2gj4 h HIS 459 Cb -0.02 -0.01 -0.01 0.00 1.55 0.00 0.00 27.41 28.92 2gj4 h HIS 459 CO -0.00 0.31 0.07 0.77 -1.30 0.00 0.00 177.93 177.78 2gj4 h SER 460 N -0.26 0.29 -0.27 3.26 0.02 -0.94 -1.78 113.55 113.88 2gj4 h SER 460 Ca 0.00 -0.03 -0.09 0.00 -0.84 0.00 0.00 61.79 60.84 2gj4 h SER 460 Cb 0.30 -0.07 -0.01 0.00 0.14 0.00 0.00 62.40 62.76 2gj4 h SER 460 CO 0.00 0.29 -0.18 -0.33 -1.14 0.00 0.00 176.83 175.47 2gj4 h GLU 461 N 0.33 0.59 -0.57 3.45 4.39 -1.27 -3.16 114.58 118.34 2gj4 h GLU 461 Ca 0.08 -0.28 -0.01 0.00 0.34 0.00 0.00 59.36 59.49 2gj4 h GLU 461 Cb 0.11 -0.00 -0.03 0.00 -0.10 0.00 0.00 28.75 28.72 2gj4 h GLU 461 CO -0.01 0.87 0.31 0.82 -1.16 0.00 0.00 179.01 179.84 2gj4 h ILE 462 N 0.32 1.17 -0.57 3.13 2.04 -0.85 -1.11 117.51 121.65 2gj4 h ILE 462 Ca 0.05 -0.44 0.07 0.00 1.00 0.00 0.00 64.86 65.55 2gj4 h ILE 462 Cb 0.72 0.41 -0.06 0.00 -0.74 0.00 0.00 36.82 37.15 2gj4 h ILE 462 CO 0.05 0.19 0.25 -0.07 0.00 0.00 0.00 178.15 178.58 2gj4 h LEU 463 N 0.79 0.32 -0.37 1.44 3.38 -1.34 -0.89 115.31 118.64 2gj4 h LEU 463 Ca 0.20 0.05 -0.19 0.00 0.09 0.00 0.00 57.88 58.04 2gj4 h LEU 463 Cb 0.02 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.77 2gj4 h LEU 463 CO -0.03 0.21 -0.68 0.11 0.09 0.00 0.00 178.44 178.14 2gj4 h LYS 464 N 0.47 0.58 -0.02 1.13 1.57 -1.37 0.17 116.57 119.10 2gj4 h LYS 464 Ca 0.27 -0.43 -0.19 0.00 -1.87 0.00 0.00 60.65 58.42 2gj4 h LYS 464 Cb 0.25 0.08 0.01 0.00 0.08 0.00 0.00 32.23 32.66 2gj4 h LYS 464 CO -0.23 1.05 -0.74 0.87 -0.57 0.00 0.00 179.45 179.83 2gj4 h LYS 465 N 0.41 0.55 0.00 3.15 1.57 -1.02 -3.35 116.57 117.88 2gj4 h LYS 465 Ca -0.02 -0.56 0.00 0.00 -1.87 0.00 0.00 60.65 58.20 2gj4 h LYS 465 Cb 1.26 0.15 0.00 0.00 0.08 0.00 0.00 32.23 33.72 2gj4 h LYS 465 CO 0.13 1.18 0.00 2.41 -0.57 0.00 0.00 179.45 182.60 2gj4 n THR 466 N -4.08 0.09 -0.12 -0.16 -1.04 -0.37 -4.65 114.28 103.95 2gj4 n THR 466 Ca -0.10 0.03 -0.10 0.00 -2.04 0.00 0.00 64.05 61.84 2gj4 n THR 466 Cb 0.74 -0.61 -0.02 0.00 -1.82 0.00 0.00 70.33 68.62 2gj4 n THR 466 CO 0.00 0.00 0.00 0.40 -0.64 0.00 0.00 175.07 174.83 2gj4 h ILE 467 N 0.00 1.23 -0.50 12.58 2.04 -1.51 -2.79 117.51 128.56 2gj4 h ILE 467 Ca 0.00 -0.81 -0.35 0.00 1.00 0.00 0.00 64.86 64.69 2gj4 h ILE 467 Cb 0.00 1.06 -0.26 0.00 -0.74 0.00 0.00 36.82 36.88 2gj4 h ILE 467 CO 0.00 0.28 -0.54 0.49 0.00 0.00 0.00 178.15 178.38 2gj4 n PHE 468 N -4.57 1.78 -0.22 1.37 3.72 0.59 -4.87 117.46 115.26 2gj4 n PHE 468 Ca -0.01 -1.99 0.02 0.00 -0.05 0.00 0.00 57.45 55.42 2gj4 n PHE 468 Cb 0.22 -0.40 0.13 0.00 -0.94 0.00 0.00 39.48 38.49 2gj4 n PHE 468 CO 0.00 0.00 0.00 -0.22 -0.05 0.00 0.00 176.76 176.49 2gj4 h LYS 469 N 1.69 0.32 -0.70 -1.08 3.64 -1.48 -1.19 116.57 117.77 2gj4 h LYS 469 Ca 0.26 -0.02 -0.04 0.00 -1.27 0.00 0.00 60.65 59.58 2gj4 h LYS 469 Cb 1.35 -0.07 -0.03 0.00 -0.41 0.00 0.00 32.23 33.07 2gj4 h LYS 469 CO 0.55 0.21 0.28 -0.44 -2.27 0.00 0.00 179.45 177.78 2gj4 h ASP 470 N 0.33 0.96 -0.47 4.20 3.32 -1.88 -1.98 116.42 120.91 2gj4 h ASP 470 Ca 0.35 -0.17 -0.11 0.00 0.02 0.00 0.00 57.03 57.11 2gj4 h ASP 470 Cb 0.51 -0.25 -0.02 0.00 0.22 0.00 0.00 39.33 39.79 2gj4 h ASP 470 CO -0.39 0.87 -0.12 -0.26 -1.72 0.00 0.00 179.24 177.61 2gj4 h PHE 471 N 0.99 1.06 -0.78 4.55 0.04 -1.79 -2.41 116.94 118.59 2gj4 h PHE 471 Ca 0.23 -0.22 -0.02 0.00 2.80 0.00 0.00 57.97 60.77 2gj4 h PHE 471 Cb 0.21 -0.26 -0.04 0.00 2.20 0.00 0.00 35.95 38.06 2gj4 h PHE 471 CO 0.01 1.00 0.42 -0.92 -0.60 0.00 0.00 178.31 178.23 2gj4 h TYR 472 N 0.84 1.08 -0.28 -0.55 3.20 -0.97 -1.14 116.97 119.16 2gj4 h TYR 472 Ca 0.13 -0.03 -0.10 0.00 3.14 0.00 0.00 58.73 61.88 2gj4 h TYR 472 Cb 0.67 -0.34 -0.01 0.00 1.54 0.00 0.00 36.73 38.58 2gj4 h TYR 472 CO 0.04 0.76 -0.23 0.93 -1.64 0.00 0.00 178.16 178.02 2gj4 h GLU 473 N 1.09 0.53 -0.16 1.82 5.08 -1.25 -0.95 114.58 120.74 2gj4 h GLU 473 Ca 0.27 -0.20 -0.09 0.00 -1.00 0.00 0.00 59.36 58.34 2gj4 h GLU 473 Cb 0.04 -0.03 -0.00 0.00 0.50 0.00 0.00 28.75 29.26 2gj4 h GLU 473 CO -0.04 0.73 -0.26 1.25 -1.00 0.00 0.00 179.01 179.68 2gj4 h LEU 474 N 0.47 0.51 -6.11 1.33 5.85 -1.16 -3.41 115.31 112.79 2gj4 h LEU 474 Ca 0.07 -0.53 -0.57 0.00 0.84 0.00 0.00 57.88 57.69 2gj4 h LEU 474 Cb 0.66 -0.15 -0.39 0.00 0.37 0.00 0.00 40.66 41.15 2gj4 h LEU 474 CO 0.05 0.94 -1.04 -0.62 -0.34 0.00 0.00 178.44 177.43 2gj4 n GLU 475 N -4.41 0.73 0.00 1.25 1.02 -0.45 -4.99 120.64 113.79 2gj4 n GLU 475 Ca -0.06 -3.32 0.03 0.00 -0.02 0.00 0.00 57.16 53.78 2gj4 n GLU 475 Cb 0.45 -1.39 0.39 0.00 -0.02 0.00 0.00 31.44 30.87 2gj4 n GLU 475 CO 0.00 0.00 0.00 -1.00 1.18 0.00 0.00 177.13 177.31 2gj4 h PRO 476 N 4.39 0.53 0.00 3.49 0.13 -1.39 -2.39 132.00 136.76 2gj4 h PRO 476 Ca 0.12 -0.05 0.00 0.00 -0.87 0.00 0.00 66.00 65.20 2gj4 h PRO 476 Cb 0.87 -0.11 0.00 0.00 0.13 0.00 0.00 31.00 31.89 2gj4 h PRO 476 CO 0.47 0.40 0.00 1.12 -0.23 0.00 0.00 178.00 179.76 2gj4 h HIS 477 N 0.54 0.00 0.00 1.56 2.07 -1.94 -2.63 115.15 114.74 2gj4 h HIS 477 Ca 0.14 0.00 -0.12 0.00 -2.85 0.00 0.00 60.37 57.54 2gj4 h HIS 477 Cb 0.04 0.00 -0.02 0.00 2.57 0.00 0.00 27.41 30.00 2gj4 h HIS 477 CO 0.00 0.00 -0.57 0.87 -3.07 0.00 0.00 177.93 175.16 2gj4 h LYS 478 N 0.00 0.00 -5.92 5.12 1.57 -1.67 -3.46 116.57 112.21 2gj4 h LYS 478 Ca 0.00 0.00 -0.57 0.00 -1.87 0.00 0.00 60.65 58.21 2gj4 h LYS 478 Cb 0.06 0.00 -0.07 0.00 0.08 0.00 0.00 32.23 32.30 2gj4 h LYS 478 CO 0.00 0.57 0.09 -0.06 -0.57 0.00 0.00 179.45 179.49 2gj4 s PHE 479 N -3.57 3.52 0.23 -1.35 0.40 -1.00 -1.10 117.98 115.10 2gj4 s PHE 479 Ca -0.01 1.14 0.01 0.00 -0.60 0.00 0.00 56.93 57.47 2gj4 s PHE 479 Cb 0.12 -2.79 -0.05 0.00 0.51 0.00 0.00 43.02 40.81 2gj4 s PHE 479 CO 0.75 0.02 0.08 -0.65 0.70 0.00 0.00 175.22 176.11 2gj4 s GLN 480 N 1.12 1.31 -0.03 0.44 -0.21 0.22 -4.96 119.66 117.54 2gj4 s GLN 480 Ca 0.34 -1.69 0.06 0.00 0.02 0.00 0.00 55.36 54.10 2gj4 s GLN 480 Cb -0.17 -0.18 -0.02 0.00 1.00 0.00 0.00 33.01 33.64 2gj4 s GLN 480 CO 0.15 -0.27 -0.22 1.21 -2.12 0.00 0.00 175.29 174.04 2gj4 s ASN 481 N -3.26 3.41 -0.35 5.90 3.04 -1.26 -2.82 114.94 119.60 2gj4 s ASN 481 Ca 0.35 -0.37 -0.00 0.00 0.04 0.00 0.00 52.86 52.87 2gj4 s ASN 481 Cb 0.07 -0.54 0.13 0.00 -1.54 0.00 0.00 41.25 39.37 2gj4 s ASN 481 CO 0.11 0.33 0.19 -0.54 -3.04 0.00 0.00 177.10 174.15 2gj4 s LYS 482 N -0.64 0.60 0.26 0.43 -0.14 -0.99 -4.96 119.74 114.30 2gj4 s LYS 482 Ca 0.10 -1.27 -0.31 0.00 -1.36 0.00 0.00 55.97 53.13 2gj4 s LYS 482 Cb -0.10 -1.45 -0.12 0.00 -1.68 0.00 0.00 37.83 34.48 2gj4 s LYS 482 CO -0.00 -1.16 1.65 2.41 -0.76 0.00 0.00 175.35 177.49 2gj4 n THR 483 N 4.22 0.64 -0.70 2.17 -1.04 -1.26 -4.34 114.28 113.97 2gj4 n THR 483 Ca 0.08 -0.16 -0.32 0.00 -2.04 0.00 0.00 64.05 61.61 2gj4 n THR 483 Cb 0.38 -1.99 0.16 0.00 -1.82 0.00 0.00 70.33 67.06 2gj4 n THR 483 CO 0.00 0.00 0.00 0.59 -0.64 0.00 0.00 175.07 175.02 2gj4 n ASN 484 N 2.84 -1.48 -3.29 8.00 3.02 0.12 -4.66 115.26 119.79 2gj4 n ASN 484 Ca 0.11 0.21 -0.12 0.00 -0.03 0.00 0.00 54.58 54.75 2gj4 n ASN 484 Cb 0.36 -1.24 -0.02 0.00 -0.61 0.00 0.00 39.78 38.27 2gj4 n ASN 484 CO 0.00 0.00 0.00 -0.83 -2.62 0.00 0.00 177.26 173.81 2gj4 s GLY 485 N -2.19 0.92 0.04 7.41 0.00 -1.26 -4.84 107.32 107.40 2gj4 s GLY 485 Ca 0.61 -1.12 0.03 0.00 0.00 0.00 0.00 44.72 44.23 2gj4 s GLY 485 CO 0.65 -0.69 -0.09 -0.26 0.00 0.00 0.00 173.10 172.71 2gj4 s ILE 486 N -3.01 0.69 0.00 0.90 -4.36 -0.04 -4.53 121.20 110.85 2gj4 s ILE 486 Ca 0.24 -1.00 -0.30 0.00 -0.26 0.00 0.00 60.65 59.33 2gj4 s ILE 486 Cb -0.02 -0.70 -0.04 0.00 1.25 0.00 0.00 42.46 42.95 2gj4 s ILE 486 CO 0.15 -0.25 1.09 0.28 0.24 0.00 0.00 174.94 176.45 2gj4 s THR 487 N -1.14 4.49 -1.55 8.37 -1.32 -1.26 -1.09 115.64 122.15 2gj4 s THR 487 Ca -0.06 1.79 0.26 0.00 -1.21 0.00 0.00 61.69 62.47 2gj4 s THR 487 Cb -0.09 -4.15 0.51 0.00 -1.51 0.00 0.00 72.50 67.26 2gj4 s THR 487 CO 0.01 0.11 1.87 -0.81 -2.21 0.00 0.00 174.62 173.58 2gj4 n PRO 488 N 4.17 0.46 0.00 7.08 -0.04 -1.26 -1.64 135.00 143.77 2gj4 n PRO 488 Ca 0.08 0.04 0.00 0.00 -0.04 0.00 0.00 63.50 63.58 2gj4 n PRO 488 Cb 0.49 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.45 2gj4 n PRO 488 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 2gj4 n ARG 489 N -1.23 0.00 -0.28 0.54 3.00 -1.26 -2.41 116.66 115.03 2gj4 n ARG 489 Ca 0.14 0.38 0.04 0.00 -0.01 0.00 0.00 57.85 58.40 2gj4 n ARG 489 Cb 0.18 -1.07 0.18 0.00 0.00 0.00 0.00 32.46 31.74 2gj4 n ARG 489 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.63 177.54 2gj4 h ARG 490 N 0.00 0.63 -0.63 5.56 2.43 -1.97 -1.23 114.38 119.17 2gj4 h ARG 490 Ca 0.00 -0.04 0.00 0.00 -0.81 0.00 0.00 59.98 59.13 2gj4 h ARG 490 Cb 0.00 -0.14 0.00 0.00 -0.42 0.00 0.00 29.97 29.41 2gj4 h ARG 490 CO 0.00 0.42 0.00 0.91 -1.51 0.00 0.00 179.97 179.79 2gj4 n TRP 491 N -4.84 1.04 0.14 2.20 7.02 -0.65 -2.98 117.44 119.36 2gj4 n TRP 491 Ca 0.14 -0.46 0.00 0.00 -1.02 0.00 0.00 57.50 56.16 2gj4 n TRP 491 Cb 0.34 -0.10 0.00 0.00 -2.42 0.00 0.00 31.31 29.13 2gj4 n TRP 491 CO 0.00 0.00 0.00 -0.11 -2.02 0.00 0.00 177.69 175.56 2gj4 n LEU 492 N 1.14 -1.00 -0.23 -0.99 7.94 -1.09 -4.80 117.00 117.98 2gj4 n LEU 492 Ca 0.21 0.48 -0.06 0.00 -1.11 0.00 0.00 56.01 55.53 2gj4 n LEU 492 Cb 0.64 1.10 0.04 0.00 0.53 0.00 0.00 43.42 45.74 2gj4 n LEU 492 CO 0.17 -0.50 1.07 0.58 -1.11 0.00 0.00 177.39 177.60 2gj4 h VAL 493 N 0.00 1.21 0.23 1.96 2.07 -1.08 0.49 116.25 121.12 2gj4 h VAL 493 Ca 0.00 -0.52 -0.01 0.00 0.82 0.00 0.00 66.70 66.99 2gj4 h VAL 493 Cb 0.00 0.37 0.00 0.00 -1.52 0.00 0.00 31.29 30.15 2gj4 h VAL 493 CO 0.00 0.23 -0.11 -0.07 0.02 0.00 0.00 177.57 177.63 2gj4 h LEU 494 N 0.88 -0.26 0.00 2.57 4.07 -1.37 -3.28 115.31 117.91 2gj4 h LEU 494 Ca 0.23 -0.25 -0.10 0.00 0.08 0.00 0.00 57.88 57.83 2gj4 h LEU 494 Cb 0.05 0.07 -0.01 0.00 1.08 0.00 0.00 40.66 41.84 2gj4 h LEU 494 CO -0.04 0.24 -0.57 0.00 -1.08 0.00 0.00 178.44 177.00 2gj4 n ASN 496 N -3.16 0.86 0.01 0.00 2.85 0.16 -4.90 115.26 111.08 2gj4 n ASN 496 Ca 0.01 -2.95 0.04 0.00 -0.11 0.00 0.00 54.58 51.57 2gj4 n ASN 496 Cb 0.72 -0.62 0.42 0.00 1.24 0.00 0.00 39.78 41.54 2gj4 n ASN 496 CO 0.00 0.00 0.00 1.55 -2.11 0.00 0.00 177.26 176.70 2gj4 h PRO 497 N 3.35 0.52 -0.87 1.20 0.13 -1.64 -1.99 132.00 132.69 2gj4 h PRO 497 Ca 0.09 -0.04 0.06 0.00 -0.87 0.00 0.00 66.00 65.25 2gj4 h PRO 497 Cb 0.91 -0.11 -0.06 0.00 0.13 0.00 0.00 31.00 31.87 2gj4 h PRO 497 CO 0.51 0.36 0.55 0.78 -0.23 0.00 0.00 178.00 179.96 2gj4 h GLY 498 N 0.56 1.32 1.12 1.56 0.00 -1.91 0.09 103.07 105.81 2gj4 h GLY 498 Ca 0.14 -0.40 -0.21 0.00 0.00 0.00 0.00 47.33 46.86 2gj4 h GLY 498 CO -0.03 0.28 -0.71 -2.00 0.00 0.00 0.00 176.54 174.08 2gj4 h LEU 499 N 1.01 0.90 -1.26 3.11 5.85 -1.79 -2.90 115.31 120.23 2gj4 h LEU 499 Ca 0.38 -0.62 0.04 0.00 0.84 0.00 0.00 57.88 58.51 2gj4 h LEU 499 Cb 0.15 -0.27 -0.04 0.00 0.37 0.00 0.00 40.66 40.87 2gj4 h LEU 499 CO -0.17 1.38 0.52 0.00 -0.34 0.00 0.00 178.44 179.83 2gj4 h ALA 500 N 0.55 1.53 -0.03 1.25 0.00 -1.06 -2.53 119.26 118.97 2gj4 h ALA 500 Ca -0.04 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.82 2gj4 h ALA 500 Cb 1.34 -0.27 -0.00 0.00 0.00 0.00 0.00 17.79 18.86 2gj4 h ALA 500 CO 0.15 0.38 -0.03 1.49 0.00 0.00 0.00 179.25 181.25 2gj4 h GLU 501 N 0.96 0.07 -0.12 0.00 4.57 -0.96 -1.12 114.58 117.97 2gj4 h GLU 501 Ca 0.31 -0.04 -0.05 0.00 -1.18 0.00 0.00 59.36 58.41 2gj4 h GLU 501 Cb 0.05 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 28.63 2gj4 h GLU 501 CO -0.09 0.53 -0.15 -0.84 -1.18 0.00 0.00 179.01 177.28 2gj4 h ILE 502 N -0.39 1.17 -0.15 2.32 3.07 -1.42 0.51 117.51 122.62 2gj4 h ILE 502 Ca 0.00 -0.78 -0.02 0.00 1.55 0.00 0.00 64.86 65.62 2gj4 h ILE 502 Cb 0.52 1.25 -0.01 0.00 -0.27 0.00 0.00 36.82 38.30 2gj4 h ILE 502 CO 0.01 0.24 0.03 0.40 -1.05 0.00 0.00 178.15 177.77 2gj4 h ILE 503 N 0.19 1.22 -0.35 0.16 2.04 -1.44 -3.23 117.51 116.10 2gj4 h ILE 503 Ca 0.04 -0.70 -0.04 0.00 1.00 0.00 0.00 64.86 65.15 2gj4 h ILE 503 Cb 0.38 1.39 -0.02 0.00 -0.74 0.00 0.00 36.82 37.84 2gj4 h ILE 503 CO 0.02 0.21 0.04 0.00 0.00 0.00 0.00 178.15 178.43 2gj4 h ALA 504 N 0.81 1.44 -0.16 1.87 0.00 -0.37 -0.96 119.26 121.89 2gj4 h ALA 504 Ca 0.05 -0.17 0.05 0.00 0.00 0.00 0.00 54.91 54.83 2gj4 h ALA 504 Cb 0.30 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.93 2gj4 h ALA 504 CO 0.00 0.41 0.13 0.93 0.00 0.00 0.00 179.25 180.72 2gj4 h GLU 505 N 0.50 0.00 0.01 0.00 5.08 -0.95 -0.61 114.58 118.61 2gj4 h GLU 505 Ca 0.11 0.00 -0.40 0.00 -1.00 0.00 0.00 59.36 58.08 2gj4 h GLU 505 Cb 0.26 0.00 -0.07 0.00 0.50 0.00 0.00 28.75 29.44 2gj4 h GLU 505 CO 0.00 0.00 -2.46 0.54 -1.00 0.00 0.00 179.01 176.09 2gj4 n ARG 506 N -4.22 0.65 -0.01 2.33 5.12 -0.63 -4.78 116.66 115.12 2gj4 n ARG 506 Ca 0.01 0.17 0.00 0.00 -1.93 0.00 0.00 57.85 56.10 2gj4 n ARG 506 Cb 0.26 -1.53 0.01 0.00 -1.16 0.00 0.00 32.46 30.04 2gj4 n ARG 506 CO 0.00 0.00 0.00 0.44 -1.93 0.00 0.00 177.63 176.14 2gj4 n ILE 507 N -3.41 0.90 -4.16 0.55 -5.35 -0.46 -5.13 119.36 102.29 2gj4 n ILE 507 Ca -0.46 -0.95 0.00 0.00 -0.27 0.00 0.00 62.75 61.07 2gj4 n ILE 507 Cb 0.98 0.55 0.00 0.00 -1.74 0.00 0.00 39.64 39.43 2gj4 n ILE 507 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2gj4 n GLY 508 N -0.41 -1.88 0.47 3.28 0.00 -0.24 -4.62 105.19 101.78 2gj4 n GLY 508 Ca 0.00 -1.35 0.10 0.00 0.00 0.00 0.00 46.02 44.77 2gj4 n GLY 508 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2gj4 n GLU 509 N -0.31 1.48 0.14 1.61 1.02 -1.26 -4.24 120.64 119.08 2gj4 n GLU 509 Ca 0.00 -0.98 0.13 0.00 -0.02 0.00 0.00 57.16 56.29 2gj4 n GLU 509 Cb 0.00 -1.38 0.65 0.00 -0.02 0.00 0.00 31.44 30.69 2gj4 n GLU 509 CO 0.00 0.00 0.00 0.93 1.18 0.00 0.00 177.13 179.24 2gj4 h GLU 510 N 2.29 0.03 -0.02 3.49 5.08 -1.97 -2.46 114.58 121.02 2gj4 h GLU 510 Ca 0.00 -0.00 0.01 0.00 -1.00 0.00 0.00 59.36 58.37 2gj4 h GLU 510 Cb 0.67 -0.01 -0.00 0.00 0.50 0.00 0.00 28.75 29.92 2gj4 h GLU 510 CO 0.00 0.02 0.03 0.10 -1.00 0.00 0.00 179.01 178.16 2gj4 h TYR 511 N 0.03 0.00 -0.06 4.33 -0.00 -1.80 -2.81 116.97 116.67 2gj4 h TYR 511 Ca 0.11 0.00 0.02 0.00 0.00 0.00 0.00 58.73 58.86 2gj4 h TYR 511 Cb 0.41 0.00 -0.00 0.00 0.00 0.00 0.00 36.73 37.13 2gj4 h TYR 511 CO -0.00 0.00 0.05 0.82 -0.00 0.00 0.00 178.16 179.03 2gj4 h ILE 512 N 0.00 0.87 -0.31 -0.90 2.04 -1.79 -1.27 117.51 116.15 2gj4 h ILE 512 Ca 0.01 0.00 -0.25 0.00 1.00 0.00 0.00 64.86 65.63 2gj4 h ILE 512 Cb 0.06 0.97 -0.28 0.00 -0.74 0.00 0.00 36.82 36.83 2gj4 h ILE 512 CO -0.00 0.00 -0.82 -1.54 0.00 0.00 0.00 178.15 175.79 2gj4 n SER 513 N -4.37 2.50 -2.74 1.72 3.41 -1.09 -4.65 113.62 108.40 2gj4 n SER 513 Ca -0.02 -3.12 -0.08 0.00 -0.26 0.00 0.00 58.87 55.39 2gj4 n SER 513 Cb 0.15 -0.42 0.07 0.00 -0.26 0.00 0.00 64.21 63.75 2gj4 n SER 513 CO 0.00 0.00 0.00 -0.67 -0.16 0.00 0.00 175.04 174.21 2gj4 n ASP 514 N -0.58 -2.55 0.28 4.04 2.03 -0.52 -5.05 116.55 114.20 2gj4 n ASP 514 Ca 0.22 -3.40 0.15 0.00 0.52 0.00 0.00 54.79 52.28 2gj4 n ASP 514 Cb 0.89 1.83 0.79 0.00 -0.72 0.00 0.00 41.12 43.91 2gj4 n ASP 514 CO 0.00 0.00 0.00 0.25 -1.92 0.00 0.00 177.20 175.53 2gj4 h LEU 515 N 3.46 0.00 -2.13 -2.67 5.85 -1.74 -1.63 115.31 116.46 2gj4 h LEU 515 Ca -0.14 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.58 2gj4 h LEU 515 Cb 1.07 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.10 2gj4 h LEU 515 CO 0.21 0.08 0.04 0.44 -0.34 0.00 0.00 178.44 178.87 2gj4 h ASP 516 N 0.00 0.00 0.32 1.25 3.32 -1.86 -1.18 116.42 118.26 2gj4 h ASP 516 Ca -0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 2gj4 h ASP 516 Cb 0.31 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.86 2gj4 h ASP 516 CO 0.01 0.00 0.00 1.56 -1.72 0.00 0.00 179.24 179.09 2gj4 h GLN 517 N 0.00 0.00 -0.01 3.56 4.20 -1.63 -2.61 115.11 118.62 2gj4 h GLN 517 Ca 0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 2gj4 h GLN 517 Cb 0.08 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 27.86 2gj4 h GLN 517 CO 0.00 0.00 0.07 -0.07 -0.67 0.00 0.00 178.83 178.16 2gj4 h LEU 518 N 0.00 0.00 -2.39 1.46 3.38 -1.45 -2.04 115.31 114.28 2gj4 h LEU 518 Ca 0.00 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.96 2gj4 h LEU 518 Cb 0.16 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.91 2gj4 h LEU 518 CO 0.00 0.00 -0.02 0.03 0.09 0.00 0.00 178.44 178.54 2gj4 h ARG 519 N 0.00 0.00 -0.29 1.13 3.08 -1.04 -1.08 114.38 116.18 2gj4 h ARG 519 Ca 0.00 0.00 0.08 0.00 0.07 0.00 0.00 59.98 60.14 2gj4 h ARG 519 Cb 0.14 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.18 2gj4 h ARG 519 CO -0.00 0.02 0.25 0.87 -1.07 0.00 0.00 179.97 180.04 2gj4 h LYS 520 N 0.00 0.00 0.00 0.04 1.57 -1.61 -2.58 116.57 113.99 2gj4 h LYS 520 Ca -0.00 0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 58.78 2gj4 h LYS 520 Cb 0.18 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.49 2gj4 h LYS 520 CO 0.00 0.00 -0.00 -0.07 -0.57 0.00 0.00 179.45 178.81 2gj4 h LEU 521 N 0.00 0.00 -2.52 2.94 3.38 -1.41 -2.62 115.31 115.08 2gj4 h LEU 521 Ca 0.14 0.00 0.01 0.00 0.09 0.00 0.00 57.88 58.12 2gj4 h LEU 521 Cb 0.63 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.38 2gj4 h LEU 521 CO -0.00 0.00 0.08 -0.07 0.09 0.00 0.00 178.44 178.54 2gj4 h LEU 522 N 0.00 0.00 0.00 1.67 3.38 -1.65 -0.99 115.31 117.72 2gj4 h LEU 522 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2gj4 h LEU 522 Cb 0.32 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.07 2gj4 h LEU 522 CO 0.00 0.00 0.00 -1.20 0.09 0.00 0.00 178.44 177.33 2gj4 n SER 523 N -3.53 0.00 -0.68 -0.43 7.64 -0.99 -3.02 113.62 112.62 2gj4 n SER 523 Ca -0.02 0.22 0.07 0.00 1.01 0.00 0.00 58.87 60.15 2gj4 n SER 523 Cb 0.17 -0.38 0.19 0.00 -1.01 0.00 0.00 64.21 63.19 2gj4 n SER 523 CO 0.00 0.00 0.00 -1.22 -3.01 0.00 0.00 175.04 170.81 2gj4 n TYR 524 N -1.38 0.63 0.31 1.43 4.02 -0.38 -4.68 117.16 117.12 2gj4 n TYR 524 Ca 0.07 -0.72 0.20 0.00 -0.01 0.00 0.00 57.90 57.44 2gj4 n TYR 524 Cb 0.18 -0.18 1.01 0.00 -0.02 0.00 0.00 39.34 40.33 2gj4 n TYR 524 CO 0.00 0.00 0.00 -0.39 -1.01 0.00 0.00 176.86 175.46 2gj4 h VAL 525 N 1.64 0.08 -0.08 -0.72 -1.51 -1.65 -1.98 116.25 112.03 2gj4 h VAL 525 Ca 0.00 -0.20 0.00 0.00 -1.23 0.00 0.00 66.70 65.27 2gj4 h VAL 525 Cb 1.08 1.18 0.00 0.00 -2.13 0.00 0.00 31.29 31.42 2gj4 h VAL 525 CO 0.11 0.01 0.00 0.47 -1.23 0.00 0.00 177.57 176.93 2gj4 n ASP 526 N -3.17 2.58 -4.60 4.19 8.00 -1.26 -4.90 116.55 117.39 2gj4 n ASP 526 Ca -0.02 -2.66 -0.42 0.00 0.71 0.00 0.00 54.79 52.40 2gj4 n ASP 526 Cb 0.16 -0.31 -0.06 0.00 -0.02 0.00 0.00 41.12 40.89 2gj4 n ASP 526 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 2gj4 s ASP 527 N -2.00 6.53 0.21 -2.24 -1.08 -0.74 -4.96 116.67 112.39 2gj4 s ASP 527 Ca 0.24 0.43 -0.10 0.00 -0.52 0.00 0.00 52.55 52.59 2gj4 s ASP 527 Cb 0.20 -2.36 0.15 0.00 -1.46 0.00 0.00 42.92 39.45 2gj4 s ASP 527 CO 0.04 -0.57 1.88 -0.33 0.52 0.00 0.00 175.17 176.72 2gj4 h GLU 528 N 8.26 0.99 -0.57 4.34 4.39 -1.94 -1.64 114.58 128.40 2gj4 h GLU 528 Ca -0.26 -0.06 -0.07 0.00 0.34 0.00 0.00 59.36 59.31 2gj4 h GLU 528 Cb 1.11 -0.22 -0.02 0.00 -0.10 0.00 0.00 28.75 29.51 2gj4 h GLU 528 CO 0.84 0.65 0.07 0.00 -1.16 0.00 0.00 179.01 179.42 2gj4 h ALA 529 N 1.27 0.75 -0.43 3.43 0.00 -1.96 -1.76 119.26 120.57 2gj4 h ALA 529 Ca 0.27 -0.26 -0.09 0.00 0.00 0.00 0.00 54.91 54.83 2gj4 h ALA 529 Cb -0.12 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.45 2gj4 h ALA 529 CO -0.06 0.52 -0.10 0.35 0.00 0.00 0.00 179.25 179.96 2gj4 h PHE 530 N 0.84 0.92 -0.39 0.00 3.57 -1.84 -0.44 116.94 119.60 2gj4 h PHE 530 Ca 0.17 -0.20 0.04 0.00 3.53 0.00 0.00 57.97 61.51 2gj4 h PHE 530 Cb 0.44 -0.23 -0.04 0.00 2.79 0.00 0.00 35.95 38.92 2gj4 h PHE 530 CO 0.03 0.93 0.15 0.82 -2.23 0.00 0.00 178.31 178.02 2gj4 h ILE 531 N 0.65 0.90 -0.31 1.41 2.04 -1.20 0.72 117.51 121.72 2gj4 h ILE 531 Ca 0.11 -0.11 0.03 0.00 1.00 0.00 0.00 64.86 65.89 2gj4 h ILE 531 Cb 0.63 0.55 -0.03 0.00 -0.74 0.00 0.00 36.82 37.24 2gj4 h ILE 531 CO 0.04 0.06 0.12 -0.09 0.00 0.00 0.00 178.15 178.28 2gj4 h ARG 532 N 0.32 0.25 -0.31 2.37 2.43 -1.17 -2.82 114.38 115.46 2gj4 h ARG 532 Ca 0.18 -0.02 -0.16 0.00 -0.81 0.00 0.00 59.98 59.17 2gj4 h ARG 532 Cb 0.14 -0.06 -0.00 0.00 -0.42 0.00 0.00 29.97 29.63 2gj4 h ARG 532 CO -0.17 0.17 -0.45 -0.44 -1.51 0.00 0.00 179.97 177.57 2gj4 h ASP 533 N 0.26 0.93 -0.60 -3.80 3.32 -0.49 -1.11 116.42 114.92 2gj4 h ASP 533 Ca 0.14 -0.51 0.02 0.00 0.02 0.00 0.00 57.03 56.70 2gj4 h ASP 533 Cb 0.10 -0.26 -0.04 0.00 0.22 0.00 0.00 39.33 39.35 2gj4 h ASP 533 CO -0.13 1.26 0.37 0.58 -1.72 0.00 0.00 179.24 179.59 2gj4 h VAL 534 N 0.62 1.09 -0.17 -1.35 2.07 -0.87 -1.63 116.25 116.01 2gj4 h VAL 534 Ca 0.03 -0.25 -0.16 0.00 0.82 0.00 0.00 66.70 67.13 2gj4 h VAL 534 Cb 1.05 0.28 -0.01 0.00 -1.52 0.00 0.00 31.29 31.10 2gj4 h VAL 534 CO 0.10 0.14 -0.57 0.00 0.02 0.00 0.00 177.57 177.26 2gj4 h ALA 535 N 1.26 0.69 -0.28 1.67 0.00 -1.36 -2.80 119.26 118.43 2gj4 h ALA 535 Ca 0.24 -0.52 0.03 0.00 0.00 0.00 0.00 54.91 54.66 2gj4 h ALA 535 Cb 0.00 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 17.68 2gj4 h ALA 535 CO -0.09 0.69 0.09 -0.22 0.00 0.00 0.00 179.25 179.72 2gj4 h LYS 536 N 0.41 0.20 -0.58 0.00 3.64 -0.96 -2.22 116.57 117.06 2gj4 h LYS 536 Ca 0.00 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.37 2gj4 h LYS 536 Cb 1.11 -0.05 -0.03 0.00 -0.41 0.00 0.00 32.23 32.86 2gj4 h LYS 536 CO 0.11 0.13 0.37 0.28 -2.27 0.00 0.00 179.45 178.07 2gj4 h VAL 537 N 0.21 1.16 -0.71 2.00 2.07 -1.25 -1.65 116.25 118.09 2gj4 h VAL 537 Ca 0.12 -0.33 -0.01 0.00 0.82 0.00 0.00 66.70 67.30 2gj4 h VAL 537 Cb 0.10 0.34 -0.03 0.00 -1.52 0.00 0.00 31.29 30.17 2gj4 h VAL 537 CO -0.13 0.16 0.41 0.50 0.02 0.00 0.00 177.57 178.53 2gj4 h LYS 538 N 0.79 0.97 -0.58 1.57 1.63 -1.31 -1.83 116.57 117.81 2gj4 h LYS 538 Ca 0.21 -0.10 -0.09 0.00 -0.85 0.00 0.00 60.65 59.82 2gj4 h LYS 538 Cb -0.05 -0.20 -0.02 0.00 -0.60 0.00 0.00 32.23 31.36 2gj4 h LYS 538 CO -0.04 0.70 -0.00 0.37 -3.45 0.00 0.00 179.45 177.03 2gj4 h GLN 539 N 0.97 1.02 -0.76 1.90 5.75 -1.13 -0.76 115.11 122.10 2gj4 h GLN 539 Ca 0.25 -0.33 0.02 0.00 -0.15 0.00 0.00 58.65 58.45 2gj4 h GLN 539 Cb -0.00 -0.09 -0.04 0.00 1.07 0.00 0.00 27.48 28.41 2gj4 h GLN 539 CO -0.04 1.01 0.49 0.93 -2.65 0.00 0.00 178.83 178.57 2gj4 h GLU 540 N 0.91 0.95 -0.64 1.69 5.08 -1.07 -1.12 114.58 120.38 2gj4 h GLU 540 Ca 0.16 -0.06 -0.06 0.00 -1.00 0.00 0.00 59.36 58.41 2gj4 h GLU 540 Cb 0.56 -0.21 -0.03 0.00 0.50 0.00 0.00 28.75 29.57 2gj4 h GLU 540 CO 0.03 0.63 0.18 -0.91 -1.00 0.00 0.00 179.01 177.93 2gj4 h ASN 541 N 0.97 0.95 -0.75 1.42 2.35 -1.00 -1.59 115.58 117.94 2gj4 h ASN 541 Ca 0.30 -0.22 -0.04 0.00 -0.55 0.00 0.00 56.30 55.79 2gj4 h ASN 541 Cb -0.03 -0.25 -0.03 0.00 0.05 0.00 0.00 38.32 38.05 2gj4 h ASN 541 CO -0.09 0.92 0.32 0.11 -1.65 0.00 0.00 177.43 177.04 2gj4 h LYS 542 N 0.93 1.10 -0.60 0.81 1.57 -0.85 -1.52 116.57 118.01 2gj4 h LYS 542 Ca 0.20 -0.18 -0.02 0.00 -1.87 0.00 0.00 60.65 58.78 2gj4 h LYS 542 Cb 0.33 -0.19 -0.03 0.00 0.08 0.00 0.00 32.23 32.43 2gj4 h LYS 542 CO -0.00 0.88 0.30 -0.07 -0.57 0.00 0.00 179.45 179.98 2gj4 h LEU 543 N 1.06 0.78 -0.65 2.94 3.38 -1.03 -1.72 115.31 120.08 2gj4 h LEU 543 Ca 0.25 -0.13 -0.05 0.00 0.09 0.00 0.00 57.88 58.04 2gj4 h LEU 543 Cb 0.17 -0.20 -0.03 0.00 0.09 0.00 0.00 40.66 40.69 2gj4 h LEU 543 CO -0.03 0.69 0.20 0.50 0.09 0.00 0.00 178.44 179.89 2gj4 h LYS 544 N 0.82 1.01 -0.47 1.13 3.64 -1.03 -1.60 116.57 120.08 2gj4 h LYS 544 Ca 0.21 -0.22 -0.10 0.00 -1.27 0.00 0.00 60.65 59.26 2gj4 h LYS 544 Cb 0.11 -0.14 -0.01 0.00 -0.41 0.00 0.00 32.23 31.77 2gj4 h LYS 544 CO -0.03 0.89 -0.11 0.35 -2.27 0.00 0.00 179.45 178.29 2gj4 h PHE 545 N 0.94 1.02 -0.95 1.91 3.57 -1.17 -1.63 116.94 120.63 2gj4 h PHE 545 Ca 0.21 -0.22 0.09 0.00 3.53 0.00 0.00 57.97 61.59 2gj4 h PHE 545 Cb 0.30 -0.25 -0.07 0.00 2.79 0.00 0.00 35.95 38.72 2gj4 h PHE 545 CO 0.02 0.99 0.59 0.00 -2.23 0.00 0.00 178.31 177.68 2gj4 h ALA 546 N 0.88 1.37 -0.14 2.41 0.00 -1.16 -1.88 119.26 120.74 2gj4 h ALA 546 Ca 0.12 0.01 -0.13 0.00 0.00 0.00 0.00 54.91 54.90 2gj4 h ALA 546 Cb 0.65 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.21 2gj4 h ALA 546 CO 0.05 0.27 -0.49 0.00 0.00 0.00 0.00 179.25 179.07 2gj4 h ALA 547 N 1.48 0.89 -0.26 0.00 0.00 -0.98 -1.99 119.26 118.40 2gj4 h ALA 547 Ca 0.44 -0.47 -0.01 0.00 0.00 0.00 0.00 54.91 54.87 2gj4 h ALA 547 Cb 0.33 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.02 2gj4 h ALA 547 CO -0.23 0.66 0.14 -0.92 0.00 0.00 0.00 179.25 178.91 2gj4 h TYR 548 N 0.30 0.36 -0.60 0.00 5.03 -0.73 -0.81 116.97 120.52 2gj4 h TYR 548 Ca 0.01 -0.01 -0.07 0.00 2.58 0.00 0.00 58.73 61.25 2gj4 h TYR 548 Cb 0.97 -0.12 -0.03 0.00 1.55 0.00 0.00 36.73 39.11 2gj4 h TYR 548 CO 0.03 0.32 0.10 -0.07 -1.32 0.00 0.00 178.16 177.22 2gj4 h LEU 549 N 0.31 0.92 -0.26 2.82 3.38 -1.21 -0.10 115.31 121.17 2gj4 h LEU 549 Ca 0.09 -0.20 -0.06 0.00 0.09 0.00 0.00 57.88 57.80 2gj4 h LEU 549 Cb 0.08 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 40.58 2gj4 h LEU 549 CO -0.01 0.92 -0.07 -0.08 0.09 0.00 0.00 178.44 179.29 2gj4 h GLU 550 N 0.92 0.50 0.13 1.13 4.57 -1.27 -1.38 114.58 119.17 2gj4 h GLU 550 Ca 0.19 -0.20 -0.01 0.00 -1.18 0.00 0.00 59.36 58.17 2gj4 h GLU 550 Cb 0.39 -0.03 0.00 0.00 -0.16 0.00 0.00 28.75 28.95 2gj4 h GLU 550 CO 0.01 0.72 -0.06 -0.09 -1.18 0.00 0.00 179.01 178.41 2gj4 h ARG 551 N 0.24 -0.16 0.00 1.92 2.43 -0.93 -1.65 114.38 116.23 2gj4 h ARG 551 Ca 0.06 0.01 -0.19 0.00 -0.81 0.00 0.00 59.98 59.06 2gj4 h ARG 551 Cb 0.54 0.04 -0.03 0.00 -0.42 0.00 0.00 29.97 30.10 2gj4 h ARG 551 CO 0.03 0.00 -1.32 0.93 -1.51 0.00 0.00 179.97 178.10 2gj4 h GLU 552 N -0.30 0.00 0.00 0.20 4.39 -1.09 -3.40 114.58 114.37 2gj4 h GLU 552 Ca -0.02 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.68 2gj4 h GLU 552 Cb 0.25 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.90 2gj4 h GLU 552 CO 0.03 0.42 0.00 0.66 -1.16 0.00 0.00 179.01 178.95 2gj4 n TYR 553 N -3.00 0.00 -3.97 4.33 4.01 -0.58 -5.03 117.16 112.92 2gj4 n TYR 553 Ca -0.09 0.00 -0.32 0.00 -0.16 0.00 0.00 57.90 57.34 2gj4 n TYR 553 Cb 0.88 0.00 0.01 0.00 -0.31 0.00 0.00 39.34 39.92 2gj4 n TYR 553 CO 0.00 0.00 0.00 1.63 -0.46 0.00 0.00 176.86 178.03 2gj4 n LYS 554 N -0.00 -4.91 -4.00 -0.72 5.02 -0.62 -4.96 118.16 107.96 2gj4 n LYS 554 Ca 0.00 0.54 -0.35 0.00 -2.02 0.00 0.00 58.31 56.48 2gj4 n LYS 554 Cb 0.13 -5.40 -0.11 0.00 -0.02 0.00 0.00 35.03 29.63 2gj4 n LYS 554 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 2gj4 s VAL 555 N -3.28 4.47 -0.20 -0.18 1.01 -1.04 -4.95 120.40 116.23 2gj4 s VAL 555 Ca 0.68 -0.14 -0.10 0.00 0.00 0.00 0.00 61.98 62.42 2gj4 s VAL 555 Cb -0.35 -3.03 -0.05 0.00 0.00 0.00 0.00 36.38 32.95 2gj4 s VAL 555 CO 0.84 0.42 0.14 -2.28 0.00 0.00 0.00 175.10 174.22 2gj4 s HIS 556 N 0.79 3.42 0.13 5.22 5.04 -1.26 -3.03 115.29 125.61 2gj4 s HIS 556 Ca 0.03 0.35 0.10 0.00 -1.54 0.00 0.00 55.06 54.00 2gj4 s HIS 556 Cb -0.14 -2.16 -0.04 0.00 0.04 0.00 0.00 32.58 30.28 2gj4 s HIS 556 CO 0.02 0.30 -0.25 0.96 -2.34 0.00 0.00 174.74 173.44 2gj4 s ILE 557 N 0.32 2.12 -0.22 0.89 -4.36 -1.26 -5.11 121.20 113.59 2gj4 s ILE 557 Ca 0.09 -1.75 -0.29 0.00 -0.26 0.00 0.00 60.65 58.43 2gj4 s ILE 557 Cb -0.11 -1.91 -0.02 0.00 1.25 0.00 0.00 42.46 41.68 2gj4 s ILE 557 CO -0.01 0.01 1.42 0.21 0.24 0.00 0.00 174.94 176.81 2gj4 s ASN 558 N -2.13 6.64 0.50 4.36 3.84 -1.26 -4.91 114.94 121.98 2gj4 s ASN 558 Ca 0.13 1.55 0.29 0.00 0.21 0.00 0.00 52.86 55.04 2gj4 s ASN 558 Cb -0.10 -2.54 1.05 0.00 -0.55 0.00 0.00 41.25 39.12 2gj4 s ASN 558 CO 0.06 -1.05 1.87 1.55 -2.79 0.00 0.00 177.10 176.74 2gj4 h PRO 559 N 9.51 0.00 -2.06 0.43 0.13 -1.99 -3.07 132.00 134.95 2gj4 h PRO 559 Ca -0.30 0.00 -0.77 0.00 -0.87 0.00 0.00 66.00 64.06 2gj4 h PRO 559 Cb 1.12 0.00 -0.27 0.00 0.13 0.00 0.00 31.00 31.99 2gj4 h PRO 559 CO 1.00 0.06 1.05 0.09 -0.23 0.00 0.00 178.00 179.98 2gj4 n ASN 560 N -3.16 7.47 -4.20 1.44 3.02 -1.26 -4.93 115.26 113.64 2gj4 n ASN 560 Ca 0.01 -3.77 -0.14 0.00 -0.03 0.00 0.00 54.58 50.64 2gj4 n ASN 560 Cb 0.38 -1.10 -0.11 0.00 -0.61 0.00 0.00 39.78 38.35 2gj4 n ASN 560 CO 0.00 0.00 0.00 -0.94 -2.62 0.00 0.00 177.26 173.70 2gj4 s SER 561 N -1.07 1.55 -0.03 6.41 1.04 -1.16 -4.78 113.70 115.65 2gj4 s SER 561 Ca 0.49 -0.88 -0.30 0.00 0.48 0.00 0.00 55.95 55.75 2gj4 s SER 561 Cb 0.38 0.00 -0.05 0.00 0.10 0.00 0.00 66.02 66.45 2gj4 s SER 561 CO -0.34 -0.29 1.45 -0.22 0.98 0.00 0.00 173.24 174.82 2gj4 s LEU 562 N -2.67 4.30 -0.54 2.42 0.20 -0.27 -4.78 118.68 117.34 2gj4 s LEU 562 Ca 0.09 2.09 -0.24 0.00 0.69 0.00 0.00 54.13 56.76 2gj4 s LEU 562 Cb -0.01 -3.55 0.04 0.00 -0.43 0.00 0.00 46.19 42.24 2gj4 s LEU 562 CO -0.00 -0.78 0.92 -0.36 -0.29 0.00 0.00 176.35 175.84 2gj4 s PHE 563 N 2.96 2.82 -0.36 5.38 0.40 -1.26 -1.11 117.98 126.82 2gj4 s PHE 563 Ca 0.65 -0.02 -0.11 0.00 -0.60 0.00 0.00 56.93 56.85 2gj4 s PHE 563 Cb -0.31 -4.03 0.01 0.00 0.51 0.00 0.00 43.02 39.21 2gj4 s PHE 563 CO 0.26 -1.31 0.20 0.34 0.70 0.00 0.00 175.22 175.41 2gj4 s ASP 564 N 2.79 5.73 -0.11 1.36 -1.08 -0.48 -1.39 116.67 123.49 2gj4 s ASP 564 Ca 0.30 -0.82 0.01 0.00 -0.52 0.00 0.00 52.55 51.52 2gj4 s ASP 564 Cb -0.13 -2.04 0.02 0.00 -1.46 0.00 0.00 42.92 39.31 2gj4 s ASP 564 CO 0.19 -0.33 -0.14 -0.69 0.52 0.00 0.00 175.17 174.72 2gj4 s VAL 565 N 1.59 1.43 -0.33 1.11 1.01 -0.70 0.15 120.40 124.66 2gj4 s VAL 565 Ca 0.03 -0.59 0.03 0.00 0.00 0.00 0.00 61.98 61.45 2gj4 s VAL 565 Cb -0.18 -1.32 0.10 0.00 0.00 0.00 0.00 36.38 34.97 2gj4 s VAL 565 CO 0.07 0.43 0.05 -1.58 0.00 0.00 0.00 175.10 174.07 2gj4 s GLN 566 N 1.07 1.39 -0.11 2.72 0.74 -0.21 -2.01 119.66 123.25 2gj4 s GLN 566 Ca -0.05 -1.70 0.02 0.00 0.05 0.00 0.00 55.36 53.68 2gj4 s GLN 566 Cb -0.15 -2.98 0.01 0.00 1.10 0.00 0.00 33.01 31.00 2gj4 s GLN 566 CO -0.03 -0.92 -0.18 0.14 -0.55 0.00 0.00 175.29 173.75 2gj4 s VAL 567 N 1.04 1.70 0.00 1.34 -7.23 -1.26 -1.74 120.40 114.25 2gj4 s VAL 567 Ca 0.09 -0.77 0.00 0.00 -1.81 0.00 0.00 61.98 59.49 2gj4 s VAL 567 Cb -0.19 -1.52 0.00 0.00 0.56 0.00 0.00 36.38 35.23 2gj4 s VAL 567 CO -0.11 0.48 0.00 2.29 -0.31 0.00 0.00 175.10 177.45 2gj4 n LYS 568 N 4.05 0.00 -1.73 4.82 2.85 -1.06 -4.98 118.16 122.11 2gj4 n LYS 568 Ca -0.20 0.00 -0.38 0.00 -1.05 0.00 0.00 58.31 56.68 2gj4 n LYS 568 Cb 0.52 0.00 0.04 0.00 -0.65 0.00 0.00 35.03 34.94 2gj4 n LYS 568 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 177.40 177.89 2gj4 n ARG 569 N -0.48 1.57 -2.64 -1.58 5.12 -1.26 -4.03 116.66 113.36 2gj4 n ARG 569 Ca 0.00 0.58 -0.43 0.00 -1.93 0.00 0.00 57.85 56.07 2gj4 n ARG 569 Cb 0.00 -2.52 -0.02 0.00 -1.16 0.00 0.00 32.46 28.76 2gj4 n ARG 569 CO 0.00 0.00 0.00 0.42 -1.93 0.00 0.00 177.63 176.12 2gj4 s ILE 570 N -1.31 4.57 -0.05 0.55 -1.09 -0.73 -4.91 121.20 118.23 2gj4 s ILE 570 Ca 0.72 1.86 -0.16 0.00 -2.23 0.00 0.00 60.65 60.84 2gj4 s ILE 570 Cb -0.42 -4.35 0.03 0.00 -1.58 0.00 0.00 42.46 36.14 2gj4 s ILE 570 CO 0.49 -0.33 0.37 -1.00 -1.23 0.00 0.00 174.94 173.24 2gj4 s HIS 571 N 3.46 -0.29 0.26 3.97 3.76 -1.26 -4.73 115.29 120.45 2gj4 s HIS 571 Ca 0.45 0.54 -0.04 0.00 -0.15 0.00 0.00 55.06 55.86 2gj4 s HIS 571 Cb -0.14 0.14 0.35 0.00 1.11 0.00 0.00 32.58 34.04 2gj4 s HIS 571 CO 0.11 -0.38 1.91 0.93 -0.85 0.00 0.00 174.74 176.47 2gj4 h GLU 572 N 4.13 1.22 0.00 1.40 5.08 -1.97 -2.84 114.58 121.60 2gj4 h GLU 572 Ca -0.29 -0.07 -0.04 0.00 -1.00 0.00 0.00 59.36 57.96 2gj4 h GLU 572 Cb 1.17 -0.28 -0.01 0.00 0.50 0.00 0.00 28.75 30.14 2gj4 h GLU 572 CO 0.37 0.81 -0.17 0.10 -1.00 0.00 0.00 179.01 179.12 2gj4 h TYR 573 N 1.26 0.00 0.00 4.33 -0.00 -1.97 -2.04 116.97 118.55 2gj4 h TYR 573 Ca 0.40 0.00 0.00 0.00 -0.00 0.00 0.00 58.73 59.13 2gj4 h TYR 573 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 36.73 36.73 2gj4 h TYR 573 CO -0.00 0.17 -0.17 0.87 -0.00 0.00 0.00 178.16 179.03 2gj4 h LYS 574 N 0.00 0.00 -5.85 0.10 1.79 -1.86 -3.03 116.57 107.72 2gj4 h LYS 574 Ca -0.00 0.00 -0.38 0.00 -2.18 0.00 0.00 60.65 58.09 2gj4 h LYS 574 Cb 0.48 0.00 0.12 0.00 -1.58 0.00 0.00 32.23 31.25 2gj4 h LYS 574 CO 0.02 0.00 -0.76 0.54 -1.08 0.00 0.00 179.45 178.17 2gj4 n ARG 575 N -2.28 -6.52 -0.11 3.15 1.74 -0.77 -4.07 116.66 107.81 2gj4 n ARG 575 Ca 0.05 0.77 0.25 0.00 -0.77 0.00 0.00 57.85 58.16 2gj4 n ARG 575 Cb 0.44 -5.70 0.71 0.00 -1.02 0.00 0.00 32.46 26.89 2gj4 n ARG 575 CO 0.00 0.00 0.00 1.96 -1.52 0.00 0.00 177.63 178.07 2gj4 h GLN 576 N -2.12 0.00 -0.43 5.56 7.50 -1.85 -2.13 115.11 121.65 2gj4 h GLN 576 Ca -0.59 0.00 -0.06 0.00 0.50 0.00 0.00 58.65 58.50 2gj4 h GLN 576 Cb 1.35 0.00 -0.02 0.00 0.05 0.00 0.00 27.48 28.86 2gj4 h GLN 576 CO 0.54 0.00 0.00 -0.07 -1.50 0.00 0.00 178.83 177.81 2gj4 h LEU 577 N 0.00 0.67 -0.59 1.46 3.38 -1.90 -1.13 115.31 117.19 2gj4 h LEU 577 Ca 0.36 -0.15 -0.02 0.00 0.09 0.00 0.00 57.88 58.16 2gj4 h LEU 577 Cb 1.45 -0.18 -0.03 0.00 0.09 0.00 0.00 40.66 42.00 2gj4 h LEU 577 CO -0.00 0.73 0.30 0.25 0.09 0.00 0.00 178.44 179.81 2gj4 h LEU 578 N 0.66 0.76 -0.26 1.67 5.85 -1.76 -1.43 115.31 120.79 2gj4 h LEU 578 Ca 0.13 -0.12 0.04 0.00 0.84 0.00 0.00 57.88 58.78 2gj4 h LEU 578 Cb 0.41 -0.19 -0.04 0.00 0.37 0.00 0.00 40.66 41.20 2gj4 h LEU 578 CO 0.02 0.66 0.03 -1.13 -0.34 0.00 0.00 178.44 177.67 2gj4 h ASN 579 N 0.80 -0.05 -0.53 1.25 -0.00 -1.42 -2.37 115.58 113.27 2gj4 h ASN 579 Ca 0.21 0.05 0.11 0.00 -0.00 0.00 0.00 56.30 56.66 2gj4 h ASN 579 Cb 0.09 0.08 -0.10 0.00 -0.00 0.00 0.00 38.32 38.39 2gj4 h ASN 579 CO -0.03 0.01 -0.08 0.00 -0.00 0.00 0.00 177.43 177.33 2gj4 h LEU 581 N 0.04 0.95 -0.27 0.00 3.38 -0.83 -2.09 115.31 116.49 2gj4 h LEU 581 Ca 0.26 -0.01 -0.07 0.00 0.09 0.00 0.00 57.88 58.15 2gj4 h LEU 581 Cb 0.41 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 40.93 2gj4 h LEU 581 CO -0.51 0.65 -0.10 -0.74 0.09 0.00 0.00 178.44 177.82 2gj4 h HIS 582 N 1.10 0.62 -0.73 1.13 2.76 -0.84 -1.57 115.15 117.61 2gj4 h HIS 582 Ca 0.35 -0.15 0.07 0.00 -2.20 0.00 0.00 60.37 58.45 2gj4 h HIS 582 Cb 0.03 -0.14 -0.06 0.00 1.55 0.00 0.00 27.41 28.78 2gj4 h HIS 582 CO -0.00 0.78 0.41 0.28 -1.30 0.00 0.00 177.93 178.10 2gj4 h VAL 583 N 0.28 0.95 -0.19 5.26 2.07 -0.93 -0.90 116.25 122.78 2gj4 h VAL 583 Ca 0.06 -0.25 -0.10 0.00 0.82 0.00 0.00 66.70 67.23 2gj4 h VAL 583 Cb 0.60 0.15 -0.01 0.00 -1.52 0.00 0.00 31.29 30.51 2gj4 h VAL 583 CO 0.03 0.13 -0.33 0.40 0.02 0.00 0.00 177.57 177.83 2gj4 h ILE 584 N 0.74 1.28 -0.20 4.57 2.04 -1.31 -2.31 117.51 122.32 2gj4 h ILE 584 Ca 0.34 -1.38 -0.00 0.00 1.00 0.00 0.00 64.86 64.82 2gj4 h ILE 584 Cb 0.24 1.49 -0.01 0.00 -0.74 0.00 0.00 36.82 37.81 2gj4 h ILE 584 CO -0.21 0.43 0.12 0.74 0.00 0.00 0.00 178.15 179.23 2gj4 h THR 585 N 0.34 1.09 -0.81 -0.27 2.02 -0.42 -0.58 112.91 114.28 2gj4 h THR 585 Ca 0.04 -0.21 0.06 0.00 0.77 0.00 0.00 66.41 67.07 2gj4 h THR 585 Cb 0.74 0.86 -0.06 0.00 -1.74 0.00 0.00 68.15 67.95 2gj4 h THR 585 CO 0.06 0.08 0.50 -0.07 0.37 0.00 0.00 175.52 176.46 2gj4 h LEU 586 N 0.25 0.78 -0.03 2.58 3.38 -0.98 -1.13 115.31 120.16 2gj4 h LEU 586 Ca 0.07 0.02 -0.00 0.00 0.09 0.00 0.00 57.88 58.06 2gj4 h LEU 586 Cb 0.03 -0.15 -0.00 0.00 0.09 0.00 0.00 40.66 40.63 2gj4 h LEU 586 CO -0.01 0.51 0.01 0.22 0.09 0.00 0.00 178.44 179.25 2gj4 h TYR 587 N 0.92 0.05 -0.69 1.13 3.20 -1.18 -2.29 116.97 118.11 2gj4 h TYR 587 Ca 0.35 -0.00 -0.03 0.00 3.14 0.00 0.00 58.73 62.18 2gj4 h TYR 587 Cb 0.15 -0.01 -0.03 0.00 1.54 0.00 0.00 36.73 38.37 2gj4 h TYR 587 CO -0.04 0.20 0.29 -0.91 -1.64 0.00 0.00 178.16 176.06 2gj4 h ASN 588 N -0.12 0.92 -0.64 -2.11 2.35 -0.90 -1.93 115.58 113.16 2gj4 h ASN 588 Ca 0.01 -0.12 -0.08 0.00 -0.55 0.00 0.00 56.30 55.56 2gj4 h ASN 588 Cb 0.18 -0.24 -0.03 0.00 0.05 0.00 0.00 38.32 38.28 2gj4 h ASN 588 CO -0.00 0.81 0.08 0.03 -1.65 0.00 0.00 177.43 176.70 2gj4 h ARG 589 N 0.99 1.08 -0.30 0.81 3.08 -1.16 -1.15 114.38 117.73 2gj4 h ARG 589 Ca 0.24 -0.30 -0.00 0.00 0.07 0.00 0.00 59.98 59.99 2gj4 h ARG 589 Cb 0.16 -0.12 -0.01 0.00 0.08 0.00 0.00 29.97 30.08 2gj4 h ARG 589 CO -0.02 1.00 0.18 0.82 -1.07 0.00 0.00 179.97 180.88 2gj4 h ILE 590 N 1.01 1.12 -0.29 2.04 2.04 -1.13 -1.87 117.51 120.42 2gj4 h ILE 590 Ca 0.19 -0.28 -0.05 0.00 1.00 0.00 0.00 64.86 65.73 2gj4 h ILE 590 Cb 0.46 0.76 -0.02 0.00 -0.74 0.00 0.00 36.82 37.28 2gj4 h ILE 590 CO 0.02 0.11 -0.01 0.11 0.00 0.00 0.00 178.15 178.38 2gj4 h LYS 591 N 0.38 0.45 -0.11 2.37 1.79 -1.10 -1.41 116.57 118.95 2gj4 h LYS 591 Ca 0.11 -0.09 -0.16 0.00 -2.18 0.00 0.00 60.65 58.32 2gj4 h LYS 591 Cb 0.03 -0.07 -0.01 0.00 -1.58 0.00 0.00 32.23 30.60 2gj4 h LYS 591 CO -0.02 0.49 -0.63 0.87 -1.08 0.00 0.00 179.45 179.08 2gj4 h LYS 592 N 0.44 0.40 -2.18 3.15 1.57 -1.04 -3.38 116.57 115.53 2gj4 h LYS 592 Ca 0.10 -0.28 -0.58 0.00 -1.87 0.00 0.00 60.65 58.02 2gj4 h LYS 592 Cb 0.31 0.05 -0.39 0.00 0.08 0.00 0.00 32.23 32.27 2gj4 h LYS 592 CO 0.01 0.90 -1.00 0.39 -0.57 0.00 0.00 179.45 179.18 2gj4 n GLU 593 N -3.89 0.79 -0.04 3.15 1.02 -0.72 -5.00 120.64 115.95 2gj4 n GLU 593 Ca -0.03 -3.41 0.14 0.00 -0.02 0.00 0.00 57.16 53.84 2gj4 n GLU 593 Cb 0.64 -1.50 0.56 0.00 -0.02 0.00 0.00 31.44 31.13 2gj4 n GLU 593 CO 0.00 0.00 0.00 -1.35 1.18 0.00 0.00 177.13 176.96 2gj4 h PRO 594 N 4.56 0.26 0.00 3.49 0.11 -1.46 -2.63 132.00 136.33 2gj4 h PRO 594 Ca 0.14 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 66.24 2gj4 h PRO 594 Cb 0.86 -0.06 0.00 0.00 0.11 0.00 0.00 31.00 31.91 2gj4 h PRO 594 CO 0.48 0.17 0.00 0.09 -0.21 0.00 0.00 178.00 178.54 2gj4 n ASN 595 N -4.45 0.10 -4.69 -2.05 3.02 -1.26 -4.83 115.26 101.09 2gj4 n ASN 595 Ca 0.09 0.51 -0.41 0.00 -0.03 0.00 0.00 54.58 54.74 2gj4 n ASN 595 Cb 0.41 -0.54 -0.04 0.00 -0.61 0.00 0.00 39.78 39.01 2gj4 n ASN 595 CO 0.00 0.00 0.00 -0.75 -2.62 0.00 0.00 177.26 173.89 2gj4 s LYS 596 N -3.02 4.40 0.27 3.52 2.20 -0.99 -5.01 119.74 121.10 2gj4 s LYS 596 Ca 0.12 1.10 -0.30 0.00 -0.36 0.00 0.00 55.97 56.53 2gj4 s LYS 596 Cb 0.16 -3.51 -0.10 0.00 -1.51 0.00 0.00 37.83 32.86 2gj4 s LYS 596 CO 0.48 -0.17 1.44 0.12 -0.36 0.00 0.00 175.35 176.86 2gj4 s PHE 597 N 1.55 2.98 0.03 4.03 5.36 -1.26 -5.03 117.98 125.64 2gj4 s PHE 597 Ca 0.42 1.06 0.03 0.00 -0.96 0.00 0.00 56.93 57.48 2gj4 s PHE 597 Cb -0.18 -3.83 -0.02 0.00 -0.34 0.00 0.00 43.02 38.65 2gj4 s PHE 597 CO 0.17 -2.65 -0.10 0.14 -1.46 0.00 0.00 175.22 171.32 2gj4 s VAL 598 N -0.19 0.78 0.01 3.12 -7.23 -1.26 -5.11 120.40 110.51 2gj4 s VAL 598 Ca 0.58 -0.85 -0.30 0.00 -1.81 0.00 0.00 61.98 59.60 2gj4 s VAL 598 Cb -0.42 -0.74 -0.08 0.00 0.56 0.00 0.00 36.38 35.71 2gj4 s VAL 598 CO 0.46 -0.09 1.85 -0.69 -0.31 0.00 0.00 175.10 176.32 2gj4 s VAL 599 N -0.85 3.22 0.35 1.32 1.01 -1.26 -4.93 120.40 119.26 2gj4 s VAL 599 Ca -0.02 0.27 -0.28 0.00 0.00 0.00 0.00 61.98 61.95 2gj4 s VAL 599 Cb -0.07 -3.18 -0.11 0.00 0.00 0.00 0.00 36.38 33.02 2gj4 s VAL 599 CO 0.01 -0.02 1.46 -2.84 0.00 0.00 0.00 175.10 173.70 2gj4 s PRO 600 N 4.29 4.17 0.05 2.72 0.02 -1.26 -4.93 135.00 140.05 2gj4 s PRO 600 Ca 0.83 2.49 0.05 0.00 0.02 0.00 0.00 61.00 64.39 2gj4 s PRO 600 Cb -0.39 -3.00 -0.02 0.00 0.02 0.00 0.00 34.50 31.10 2gj4 s PRO 600 CO 0.37 -0.47 -0.15 1.03 -0.33 0.00 0.00 177.00 177.45 2gj4 s ARG 601 N -1.81 0.95 -0.35 5.54 0.52 -1.07 -1.11 118.95 121.61 2gj4 s ARG 601 Ca 0.53 -0.82 -0.07 0.00 -0.52 0.00 0.00 55.73 54.85 2gj4 s ARG 601 Cb -0.45 -0.98 0.04 0.00 0.52 0.00 0.00 34.95 34.08 2gj4 s ARG 601 CO 0.59 0.24 0.14 0.99 0.02 0.00 0.00 175.30 177.27 2gj4 s THR 602 N -0.93 3.96 -0.28 0.02 2.01 -0.26 -2.26 115.64 117.89 2gj4 s THR 602 Ca 0.02 -1.12 -0.18 0.00 0.31 0.00 0.00 61.69 60.72 2gj4 s THR 602 Cb -0.08 -3.26 -0.02 0.00 0.01 0.00 0.00 72.50 69.15 2gj4 s THR 602 CO 0.02 -0.22 0.50 -0.69 -0.69 0.00 0.00 174.62 173.53 2gj4 s VAL 603 N 1.43 5.07 -0.14 3.82 1.01 0.55 -1.39 120.40 130.75 2gj4 s VAL 603 Ca -0.01 0.74 0.01 0.00 0.00 0.00 0.00 61.98 62.72 2gj4 s VAL 603 Cb -0.20 -3.84 -0.00 0.00 0.00 0.00 0.00 36.38 32.34 2gj4 s VAL 603 CO 0.03 0.03 -0.18 -0.04 0.00 0.00 0.00 175.10 174.95 2gj4 s MET 604 N 2.30 3.17 -0.03 2.72 -1.94 0.12 -1.01 119.30 124.63 2gj4 s MET 604 Ca 0.20 -0.78 0.04 0.00 -1.71 0.00 0.00 55.69 53.44 2gj4 s MET 604 Cb -0.16 -2.54 -0.00 0.00 2.01 0.00 0.00 34.83 34.14 2gj4 s MET 604 CO 0.10 0.06 -0.15 0.42 -0.01 0.00 0.00 175.02 175.43 2gj4 s ILE 605 N 0.69 1.26 0.06 2.53 1.01 -0.71 -1.04 121.20 125.00 2gj4 s ILE 605 Ca -0.08 -0.64 -0.18 0.00 0.00 0.00 0.00 60.65 59.74 2gj4 s ILE 605 Cb -0.16 -1.08 0.04 0.00 0.01 0.00 0.00 42.46 41.27 2gj4 s ILE 605 CO 0.02 0.37 0.42 -0.83 0.00 0.00 0.00 174.94 174.91 2gj4 s GLY 606 N -0.07 -0.29 0.00 6.18 0.00 -0.71 -0.96 107.32 111.47 2gj4 s GLY 606 Ca -0.00 0.27 0.00 0.00 0.00 0.00 0.00 44.72 44.99 2gj4 s GLY 606 CO 0.01 0.01 0.00 0.61 0.00 0.00 0.00 173.10 173.73 2gj4 n GLY 607 N 0.35 3.33 3.89 0.20 0.00 -1.26 -2.56 105.19 109.15 2gj4 n GLY 607 Ca -0.18 -1.24 -0.33 0.00 0.00 0.00 0.00 46.02 44.27 2gj4 n GLY 607 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2gj4 s LYS 608 N -2.29 3.59 -0.06 1.61 1.02 -1.26 -4.66 119.74 117.69 2gj4 s LYS 608 Ca 0.00 -0.10 -0.03 0.00 0.02 0.00 0.00 55.97 55.86 2gj4 s LYS 608 Cb 0.00 -2.99 -0.04 0.00 -0.52 0.00 0.00 37.83 34.28 2gj4 s LYS 608 CO 0.00 0.58 0.10 0.00 -0.92 0.00 0.00 175.35 175.10 2gj4 s ALA 609 N -1.45 3.67 0.20 5.17 0.00 -1.26 -1.77 121.76 126.32 2gj4 s ALA 609 Ca 0.33 -0.77 -0.31 0.00 0.00 0.00 0.00 51.96 51.21 2gj4 s ALA 609 Cb -0.13 -1.72 -0.11 0.00 0.00 0.00 0.00 23.12 21.16 2gj4 s ALA 609 CO 0.21 0.66 1.62 0.00 0.00 0.00 0.00 175.76 178.25 2gj4 s ALA 610 N -1.10 3.83 0.38 0.00 0.00 -1.26 -4.89 121.76 118.72 2gj4 s ALA 610 Ca 0.19 1.48 0.20 0.00 0.00 0.00 0.00 51.96 53.83 2gj4 s ALA 610 Cb -0.12 -3.65 1.21 0.00 0.00 0.00 0.00 23.12 20.56 2gj4 s ALA 610 CO 0.09 -0.86 1.66 -1.35 0.00 0.00 0.00 175.76 175.31 2gj4 h PRO 611 N 6.48 0.23 -0.20 0.00 0.11 -1.98 -0.60 132.00 136.03 2gj4 h PRO 611 Ca -0.43 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.66 2gj4 h PRO 611 Cb 1.21 -0.05 0.00 0.00 0.11 0.00 0.00 31.00 32.26 2gj4 h PRO 611 CO 0.91 0.15 0.00 0.41 -0.21 0.00 0.00 178.00 179.26 2gj4 n GLY 612 N -1.38 0.45 3.37 -0.55 0.00 -1.26 -4.79 105.19 101.03 2gj4 n GLY 612 Ca 0.33 -0.45 -0.46 0.00 0.00 0.00 0.00 46.02 45.45 2gj4 n GLY 612 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 2gj4 s TYR 613 N -1.74 3.68 0.19 1.61 6.14 -0.24 -4.92 117.35 122.07 2gj4 s TYR 613 Ca 0.32 -1.99 -0.12 0.00 0.64 0.00 0.00 57.07 55.92 2gj4 s TYR 613 Cb 0.17 -3.98 0.21 0.00 0.42 0.00 0.00 41.96 38.79 2gj4 s TYR 613 CO 0.26 -1.14 1.72 1.25 0.64 0.00 0.00 175.55 178.28 2gj4 h HIS 614 N 7.77 0.21 -0.64 4.97 -0.00 -1.86 -2.16 115.15 123.44 2gj4 h HIS 614 Ca 0.15 0.03 -0.05 0.00 -0.00 0.00 0.00 60.37 60.50 2gj4 h HIS 614 Cb 0.99 -0.02 -0.03 0.00 -0.00 0.00 0.00 27.41 28.36 2gj4 h HIS 614 CO 1.02 0.02 0.20 1.98 -0.00 0.00 0.00 177.93 181.15 2gj4 h MET 615 N 0.28 0.99 -0.84 5.26 1.85 -1.98 -0.75 114.93 119.74 2gj4 h MET 615 Ca 0.26 -0.21 -0.02 0.00 -0.61 0.00 0.00 59.70 59.12 2gj4 h MET 615 Cb 0.35 -0.14 -0.04 0.00 0.43 0.00 0.00 31.60 32.19 2gj4 h MET 615 CO -0.32 0.87 0.43 0.00 -0.40 0.00 0.00 176.91 177.48 2gj4 h ALA 616 N 1.07 1.18 -0.49 0.39 0.00 -1.79 -0.50 119.26 119.13 2gj4 h ALA 616 Ca 0.21 -0.14 -0.10 0.00 0.00 0.00 0.00 54.91 54.87 2gj4 h ALA 616 Cb 0.29 -0.33 -0.02 0.00 0.00 0.00 0.00 17.79 17.73 2gj4 h ALA 616 CO -0.01 0.64 -0.11 0.87 0.00 0.00 0.00 179.25 180.65 2gj4 h LYS 617 N 1.19 0.89 -0.38 0.00 1.57 -1.05 -2.44 116.57 116.35 2gj4 h LYS 617 Ca 0.29 -0.31 -0.07 0.00 -1.87 0.00 0.00 60.65 58.69 2gj4 h LYS 617 Cb 0.07 -0.07 -0.02 0.00 0.08 0.00 0.00 32.23 32.30 2gj4 h LYS 617 CO -0.04 0.96 -0.04 0.52 -0.57 0.00 0.00 179.45 180.27 2gj4 h MET 618 N 0.80 0.63 -0.60 3.15 2.86 -0.63 -2.57 114.93 118.57 2gj4 h MET 618 Ca 0.13 -0.16 -0.08 0.00 -2.06 0.00 0.00 59.70 57.52 2gj4 h MET 618 Cb 0.63 -0.08 -0.02 0.00 0.06 0.00 0.00 31.60 32.19 2gj4 h MET 618 CO 0.04 0.68 0.04 0.82 1.06 0.00 0.00 176.91 179.55 2gj4 h ILE 619 N 0.59 1.26 -0.55 -1.22 2.04 -0.85 -0.86 117.51 117.91 2gj4 h ILE 619 Ca 0.12 -1.08 0.01 0.00 1.00 0.00 0.00 64.86 64.90 2gj4 h ILE 619 Cb 0.43 0.79 -0.03 0.00 -0.74 0.00 0.00 36.82 37.27 2gj4 h ILE 619 CO 0.02 0.40 0.36 0.40 0.00 0.00 0.00 178.15 179.32 2gj4 h ILE 620 N 0.93 1.11 -0.66 -0.67 2.04 -1.30 -1.91 117.51 117.05 2gj4 h ILE 620 Ca 0.17 -0.25 -0.05 0.00 1.00 0.00 0.00 64.86 65.74 2gj4 h ILE 620 Cb 0.50 0.33 -0.03 0.00 -0.74 0.00 0.00 36.82 36.88 2gj4 h ILE 620 CO 0.02 0.13 0.22 0.50 0.00 0.00 0.00 178.15 179.03 2gj4 h LYS 621 N 0.72 0.99 -0.42 2.37 1.63 -1.16 -2.60 116.57 118.10 2gj4 h LYS 621 Ca 0.21 -0.19 0.03 0.00 -0.85 0.00 0.00 60.65 59.85 2gj4 h LYS 621 Cb -0.05 -0.16 -0.03 0.00 -0.60 0.00 0.00 32.23 31.39 2gj4 h LYS 621 CO -0.06 0.84 0.22 1.25 -3.45 0.00 0.00 179.45 178.24 2gj4 h LEU 622 N 0.96 0.32 -0.30 5.20 5.85 -0.86 -0.36 115.31 126.12 2gj4 h LEU 622 Ca 0.22 0.02 0.03 0.00 0.84 0.00 0.00 57.88 58.99 2gj4 h LEU 622 Cb 0.25 -0.04 -0.03 0.00 0.37 0.00 0.00 40.66 41.20 2gj4 h LEU 622 CO -0.01 0.23 0.09 0.40 -0.34 0.00 0.00 178.44 178.81 2gj4 h ILE 623 N 0.43 0.91 -0.28 4.05 2.04 -1.00 -0.64 117.51 123.02 2gj4 h ILE 623 Ca 0.18 -0.08 -0.10 0.00 1.00 0.00 0.00 64.86 65.87 2gj4 h ILE 623 Cb 0.08 0.67 -0.01 0.00 -0.74 0.00 0.00 36.82 36.81 2gj4 h ILE 623 CO -0.12 0.04 -0.23 0.71 0.00 0.00 0.00 178.15 178.55 2gj4 h THR 624 N 0.22 1.26 -0.38 -0.27 1.35 -1.32 -2.71 112.91 111.07 2gj4 h THR 624 Ca 0.13 -1.25 -0.12 0.00 -0.55 0.00 0.00 66.41 64.63 2gj4 h THR 624 Cb 0.11 1.29 -0.01 0.00 -1.73 0.00 0.00 68.15 67.81 2gj4 h THR 624 CO -0.15 0.40 -0.24 0.00 -0.25 0.00 0.00 175.52 175.28 2gj4 h ALA 625 N 1.28 0.86 -0.03 6.62 0.00 -0.61 -1.26 119.26 126.13 2gj4 h ALA 625 Ca 0.07 -0.38 0.00 0.00 0.00 0.00 0.00 54.91 54.61 2gj4 h ALA 625 Cb 0.66 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 18.29 2gj4 h ALA 625 CO 0.05 0.63 0.01 0.82 0.00 0.00 0.00 179.25 180.76 2gj4 h ILE 626 N 0.66 1.00 -0.95 0.00 2.04 -1.03 -2.75 117.51 116.48 2gj4 h ILE 626 Ca 0.09 -0.01 0.14 0.00 1.00 0.00 0.00 64.86 66.07 2gj4 h ILE 626 Cb 0.75 0.96 -0.08 0.00 -0.74 0.00 0.00 36.82 37.72 2gj4 h ILE 626 CO 0.06 0.01 0.60 1.23 0.00 0.00 0.00 178.15 180.05 2gj4 h GLY 627 N 0.03 1.43 1.93 5.37 0.00 -1.19 0.10 103.07 110.75 2gj4 h GLY 627 Ca 0.01 -0.36 -0.01 0.00 0.00 0.00 0.00 47.33 46.97 2gj4 h GLY 627 CO -0.01 0.11 -0.03 -0.55 0.00 0.00 0.00 176.54 176.06 2gj4 h ASP 628 N 0.83 0.08 0.00 0.19 3.32 -0.94 -0.45 116.42 119.45 2gj4 h ASP 628 Ca 0.48 -0.01 -0.03 0.00 0.02 0.00 0.00 57.03 57.49 2gj4 h ASP 628 Cb 0.63 -0.02 -0.00 0.00 0.22 0.00 0.00 39.33 40.15 2gj4 h ASP 628 CO -0.24 0.13 -0.35 0.58 -1.72 0.00 0.00 179.24 177.64 2gj4 h VAL 629 N 0.09 0.28 -0.40 -1.35 2.07 -1.23 -3.39 116.25 112.30 2gj4 h VAL 629 Ca 0.02 -1.26 0.03 0.00 0.82 0.00 0.00 66.70 66.31 2gj4 h VAL 629 Cb 0.11 0.57 -0.03 0.00 -1.52 0.00 0.00 31.29 30.42 2gj4 h VAL 629 CO 0.00 0.09 0.21 0.58 0.02 0.00 0.00 177.57 178.48 2gj4 h VAL 630 N -1.00 0.99 0.00 2.57 2.07 -0.97 -2.72 116.25 117.20 2gj4 h VAL 630 Ca -0.04 -0.15 0.00 0.00 0.82 0.00 0.00 66.70 67.34 2gj4 h VAL 630 Cb 0.45 0.53 0.00 0.00 -1.52 0.00 0.00 31.29 30.75 2gj4 h VAL 630 CO -0.02 0.08 0.00 0.59 0.02 0.00 0.00 177.57 178.23 2gj4 n ASN 631 N -4.91 0.00 0.00 0.57 3.02 -0.18 -2.85 115.26 110.91 2gj4 n ASN 631 Ca 0.02 0.04 0.00 0.00 -0.03 0.00 0.00 54.58 54.61 2gj4 n ASN 631 Cb 0.09 -0.31 0.00 0.00 -0.61 0.00 0.00 39.78 38.95 2gj4 n ASN 631 CO 0.00 0.00 0.00 1.41 -2.62 0.00 0.00 177.26 176.05 2gj4 n HIS 632 N -1.31 0.00 -2.83 3.10 8.25 -1.05 -4.97 115.22 116.42 2gj4 n HIS 632 Ca 0.09 -0.36 -0.42 0.00 -0.26 0.00 0.00 57.72 56.77 2gj4 n HIS 632 Cb 0.17 -0.04 -0.04 0.00 1.12 0.00 0.00 29.99 31.21 2gj4 n HIS 632 CO 0.00 0.00 0.00 0.34 0.64 0.00 0.00 176.34 177.32 2gj4 s ASP 633 N -0.71 6.73 0.58 0.41 -1.08 -1.09 -4.94 116.67 116.56 2gj4 s ASP 633 Ca 0.00 0.72 0.36 0.00 -0.52 0.00 0.00 52.55 53.11 2gj4 s ASP 633 Cb 0.00 -2.46 1.60 0.00 -1.46 0.00 0.00 42.92 40.60 2gj4 s ASP 633 CO 0.00 -0.75 2.07 1.55 0.52 0.00 0.00 175.17 178.56 2gj4 h PRO 634 N 8.23 0.00 -0.15 4.34 0.13 -1.94 -1.25 132.00 141.36 2gj4 h PRO 634 Ca -0.23 0.00 -0.12 0.00 -0.87 0.00 0.00 66.00 64.78 2gj4 h PRO 634 Cb 1.08 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.20 2gj4 h PRO 634 CO 0.95 0.00 -0.41 0.28 -0.23 0.00 0.00 178.00 178.59 2gj4 h VAL 635 N 0.00 1.31 0.04 1.56 2.07 -1.97 -3.28 116.25 115.97 2gj4 h VAL 635 Ca 0.00 -1.54 -0.06 0.00 0.82 0.00 0.00 66.70 65.92 2gj4 h VAL 635 Cb 0.40 1.64 0.00 0.00 -1.52 0.00 0.00 31.29 31.82 2gj4 h VAL 635 CO 0.00 0.47 -0.27 0.58 0.02 0.00 0.00 177.57 178.37 2gj4 h VAL 636 N 0.29 1.69 0.00 2.57 2.07 -1.66 -3.49 116.25 117.71 2gj4 h VAL 636 Ca 0.03 -2.39 0.00 0.00 0.82 0.00 0.00 66.70 65.16 2gj4 h VAL 636 Cb 0.85 3.30 0.00 0.00 -1.52 0.00 0.00 31.29 33.91 2gj4 h VAL 636 CO 0.07 0.63 0.00 0.61 0.02 0.00 0.00 177.57 178.90 2gj4 n GLY 637 N 1.62 3.40 1.13 2.17 0.00 -0.56 -1.87 105.19 111.08 2gj4 n GLY 637 Ca -0.12 -0.04 0.06 0.00 0.00 0.00 0.00 46.02 45.92 2gj4 n GLY 637 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2gj4 n ASP 638 N 4.31 3.27 0.20 1.61 5.75 -1.26 -4.11 116.55 126.31 2gj4 n ASP 638 Ca 0.00 -2.27 0.08 0.00 -0.01 0.00 0.00 54.79 52.59 2gj4 n ASP 638 Cb 0.00 -0.46 0.28 0.00 -1.03 0.00 0.00 41.12 39.91 2gj4 n ASP 638 CO 0.00 0.00 0.00 0.03 -0.11 0.00 0.00 177.20 177.12 2gj4 h ARG 639 N 2.75 0.00 -2.48 0.11 3.08 -1.73 -3.44 114.38 112.67 2gj4 h ARG 639 Ca 0.00 0.00 -0.08 0.00 0.07 0.00 0.00 59.98 59.97 2gj4 h ARG 639 Cb 1.01 0.00 -0.25 0.00 0.08 0.00 0.00 29.97 30.81 2gj4 h ARG 639 CO 0.14 0.27 -0.22 -1.17 -1.07 0.00 0.00 179.97 177.92 2gj4 s LEU 640 N -6.55 -0.32 0.01 3.04 2.96 -1.26 -2.60 118.68 113.96 2gj4 s LEU 640 Ca 0.03 1.05 0.01 0.00 -0.22 0.00 0.00 54.13 54.99 2gj4 s LEU 640 Cb 0.08 1.60 -0.01 0.00 0.50 0.00 0.00 46.19 48.36 2gj4 s LEU 640 CO 0.67 -0.21 -0.03 -0.13 -1.32 0.00 0.00 176.35 175.34 2gj4 s ARG 641 N 1.51 0.26 -0.09 1.98 0.52 -0.96 -4.69 118.95 117.48 2gj4 s ARG 641 Ca -0.09 -0.32 0.01 0.00 -0.52 0.00 0.00 55.73 54.81 2gj4 s ARG 641 Cb -0.08 -0.11 0.02 0.00 0.52 0.00 0.00 34.95 35.30 2gj4 s ARG 641 CO -0.15 0.02 -0.11 0.54 0.02 0.00 0.00 175.30 175.62 2gj4 s VAL 642 N -0.61 1.18 -0.00 3.52 0.11 -1.26 -0.33 120.40 123.00 2gj4 s VAL 642 Ca -0.05 -0.45 0.03 0.00 -2.93 0.00 0.00 61.98 58.58 2gj4 s VAL 642 Cb -0.05 -1.11 -0.01 0.00 -1.53 0.00 0.00 36.38 33.68 2gj4 s VAL 642 CO -0.00 0.38 -0.10 0.27 -3.33 0.00 0.00 175.10 172.32 2gj4 s ILE 643 N 1.11 0.76 -0.31 7.04 -4.36 -0.18 -4.52 121.20 120.74 2gj4 s ILE 643 Ca -0.06 -0.48 -0.14 0.00 -0.26 0.00 0.00 60.65 59.72 2gj4 s ILE 643 Cb -0.14 -0.65 -0.03 0.00 1.25 0.00 0.00 42.46 42.89 2gj4 s ILE 643 CO -0.02 0.16 0.30 0.12 0.24 0.00 0.00 174.94 175.74 2gj4 s PHE 644 N -0.32 3.22 -0.39 1.37 5.36 -1.26 -1.74 117.98 124.22 2gj4 s PHE 644 Ca 0.03 0.09 -0.28 0.00 -0.96 0.00 0.00 56.93 55.81 2gj4 s PHE 644 Cb -0.04 -2.54 0.02 0.00 -0.34 0.00 0.00 43.02 40.12 2gj4 s PHE 644 CO -0.00 -0.30 1.06 -0.51 -1.46 0.00 0.00 175.22 174.01 2gj4 s LEU 645 N 1.91 3.86 0.27 6.12 1.43 -0.14 -4.98 118.68 127.15 2gj4 s LEU 645 Ca 0.10 0.72 -0.29 0.00 -1.03 0.00 0.00 54.13 53.63 2gj4 s LEU 645 Cb -0.16 -3.47 -0.09 0.00 0.03 0.00 0.00 46.19 42.49 2gj4 s LEU 645 CO 0.11 -1.00 1.18 -0.70 0.23 0.00 0.00 176.35 176.17 2gj4 s GLU 646 N 3.87 4.53 -1.11 1.70 2.12 -1.26 -4.18 118.70 124.37 2gj4 s GLU 646 Ca 0.44 1.93 -0.04 0.00 0.36 0.00 0.00 54.97 57.66 2gj4 s GLU 646 Cb -0.10 -3.17 0.00 0.00 0.26 0.00 0.00 34.13 31.12 2gj4 s GLU 646 CO 0.22 0.03 0.95 -1.71 -0.54 0.00 0.00 175.26 174.21 2gj4 n ASN 647 N 1.41 -4.11 -4.67 -1.70 5.15 -1.25 -4.93 115.26 105.16 2gj4 n ASN 647 Ca 0.01 -0.50 -0.46 0.00 -0.60 0.00 0.00 54.58 53.03 2gj4 n ASN 647 Cb 0.44 -4.46 -0.04 0.00 -0.53 0.00 0.00 39.78 35.19 2gj4 n ASN 647 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 2gj4 n TYR 648 N -4.24 2.30 -3.82 1.20 9.36 -1.26 -4.87 117.16 115.83 2gj4 n TYR 648 Ca -0.11 0.25 -0.05 0.00 3.32 0.00 0.00 57.90 61.31 2gj4 n TYR 648 Cb 0.59 -2.55 0.00 0.00 -0.63 0.00 0.00 39.34 36.76 2gj4 n TYR 648 CO 0.00 0.00 0.00 -0.98 0.22 0.00 0.00 176.86 176.10 2gj4 s ARG 649 N 0.95 1.60 0.16 2.98 1.70 -1.26 -4.74 118.95 120.33 2gj4 s ARG 649 Ca 0.79 -0.97 -0.16 0.00 -0.47 0.00 0.00 55.73 54.92 2gj4 s ARG 649 Cb -0.67 0.49 0.08 0.00 -0.57 0.00 0.00 34.95 34.28 2gj4 s ARG 649 CO 0.38 -0.74 1.75 0.28 -1.08 0.00 0.00 175.30 175.88 2gj4 h VAL 650 N 2.00 0.87 -0.52 4.99 2.07 -1.95 -1.07 116.25 122.65 2gj4 h VAL 650 Ca -0.26 -0.09 -0.04 0.00 0.82 0.00 0.00 66.70 67.13 2gj4 h VAL 650 Cb 1.24 0.58 -0.02 0.00 -1.52 0.00 0.00 31.29 31.56 2gj4 h VAL 650 CO 0.31 0.05 0.17 0.77 0.02 0.00 0.00 177.57 178.90 2gj4 h SER 651 N 0.27 0.69 -0.15 0.57 4.64 -1.97 -2.37 113.55 115.24 2gj4 h SER 651 Ca 0.17 -0.10 -0.14 0.00 -0.47 0.00 0.00 61.79 61.26 2gj4 h SER 651 Cb 0.16 -0.18 -0.01 0.00 -0.31 0.00 0.00 62.40 62.06 2gj4 h SER 651 CO -0.19 0.65 -0.38 0.25 -0.87 0.00 0.00 176.83 176.29 2gj4 h LEU 652 N 0.74 0.71 -0.94 5.97 5.85 -1.76 -3.01 115.31 122.88 2gj4 h LEU 652 Ca 0.17 -0.31 -0.01 0.00 0.84 0.00 0.00 57.88 58.58 2gj4 h LEU 652 Cb 0.20 -0.20 -0.05 0.00 0.37 0.00 0.00 40.66 40.99 2gj4 h LEU 652 CO -0.01 1.01 0.56 0.00 -0.34 0.00 0.00 178.44 179.66 2gj4 h ALA 653 N 1.02 1.19 0.00 1.25 0.00 -0.86 -0.39 119.26 121.47 2gj4 h ALA 653 Ca 0.05 -0.11 -0.00 0.00 0.00 0.00 0.00 54.91 54.85 2gj4 h ALA 653 Cb 0.90 -0.38 -0.00 0.00 0.00 0.00 0.00 17.79 18.32 2gj4 h ALA 653 CO 0.08 0.65 -0.02 0.93 0.00 0.00 0.00 179.25 180.90 2gj4 h GLU 654 N 1.29 0.00 0.01 0.00 5.08 -1.32 -2.06 114.58 117.59 2gj4 h GLU 654 Ca 0.34 0.00 -0.12 0.00 -1.00 0.00 0.00 59.36 58.58 2gj4 h GLU 654 Cb -0.05 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.19 2gj4 h GLU 654 CO -0.06 0.02 -0.62 0.87 -1.00 0.00 0.00 179.01 178.21 2gj4 h LYS 655 N 0.00 0.02 0.14 2.33 1.57 -1.19 -3.41 116.57 116.03 2gj4 h LYS 655 Ca -0.00 -0.04 -0.30 0.00 -1.87 0.00 0.00 60.65 58.44 2gj4 h LYS 655 Cb 0.03 0.02 0.00 0.00 0.08 0.00 0.00 32.23 32.36 2gj4 h LYS 655 CO 0.00 1.02 -1.40 -0.24 -0.57 0.00 0.00 179.45 178.26 2gj4 h VAL 656 N -0.94 1.32 -0.32 0.50 3.04 -1.02 -3.36 116.25 115.47 2gj4 h VAL 656 Ca -0.16 -2.91 -0.01 0.00 -1.01 0.00 0.00 66.70 62.61 2gj4 h VAL 656 Cb 1.19 2.87 -0.01 0.00 -2.01 0.00 0.00 31.29 33.33 2gj4 h VAL 656 CO -0.08 0.85 0.17 0.40 -1.01 0.00 0.00 177.57 177.91 2gj4 h ILE 657 N 0.08 1.13 0.00 3.17 2.04 -1.61 -1.18 117.51 121.14 2gj4 h ILE 657 Ca -0.20 -0.34 0.00 0.00 1.00 0.00 0.00 64.86 65.33 2gj4 h ILE 657 Cb 2.01 0.78 0.00 0.00 -0.74 0.00 0.00 36.82 38.87 2gj4 h ILE 657 CO 0.19 0.13 0.00 -0.65 0.00 0.00 0.00 178.15 177.82 2gj4 h PRO 658 N 0.39 0.00 -0.01 2.37 0.11 -1.79 -2.41 132.00 130.67 2gj4 h PRO 658 Ca 0.11 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.22 2gj4 h PRO 658 Cb 0.06 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.17 2gj4 h PRO 658 CO -0.02 0.00 -0.40 0.00 -0.21 0.00 0.00 178.00 177.37 2gj4 n ALA 659 N -1.92 3.38 -1.78 -0.75 0.00 -0.47 -4.74 120.51 114.24 2gj4 n ALA 659 Ca -0.02 -0.46 -0.39 0.00 0.00 0.00 0.00 53.44 52.58 2gj4 n ALA 659 Cb 0.08 -1.04 -0.06 0.00 0.00 0.00 0.00 19.45 18.43 2gj4 n ALA 659 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2gj4 s ALA 660 N -2.62 3.31 -0.21 0.00 0.00 -0.91 -4.62 121.76 116.71 2gj4 s ALA 660 Ca 0.20 0.57 -0.08 0.00 0.00 0.00 0.00 51.96 52.65 2gj4 s ALA 660 Cb 0.18 -3.18 -0.19 0.00 0.00 0.00 0.00 23.12 19.94 2gj4 s ALA 660 CO 0.59 0.21 -0.01 -0.25 0.00 0.00 0.00 175.76 176.30 2gj4 n ASP 661 N 1.20 2.00 -4.16 0.00 8.00 -0.48 -4.17 116.55 118.94 2gj4 n ASP 661 Ca -0.01 0.15 -0.31 0.00 0.71 0.00 0.00 54.79 55.33 2gj4 n ASP 661 Cb 0.48 -0.72 -0.17 0.00 -0.02 0.00 0.00 41.12 40.70 2gj4 n ASP 661 CO 0.00 0.00 0.00 -0.22 -0.39 0.00 0.00 177.20 176.59 2gj4 s LEU 662 N -7.10 2.03 -0.31 0.64 2.96 -0.72 -1.18 118.68 115.00 2gj4 s LEU 662 Ca -0.31 -0.56 -0.13 0.00 -0.22 0.00 0.00 54.13 52.91 2gj4 s LEU 662 Cb 0.09 -1.36 -0.03 0.00 0.50 0.00 0.00 46.19 45.39 2gj4 s LEU 662 CO 0.63 0.09 0.29 -0.55 -1.32 0.00 0.00 176.35 175.48 2gj4 s SER 663 N 0.71 6.12 -0.39 3.68 0.15 0.37 -1.72 113.70 122.63 2gj4 s SER 663 Ca -0.10 -0.12 -0.21 0.00 0.70 0.00 0.00 55.95 56.21 2gj4 s SER 663 Cb -0.16 -2.16 0.01 0.00 -1.71 0.00 0.00 66.02 62.00 2gj4 s SER 663 CO 0.01 -0.20 0.68 -1.61 1.20 0.00 0.00 173.24 173.31 2gj4 s GLU 664 N 1.88 3.57 -0.49 5.44 0.41 -0.85 -1.50 118.70 127.17 2gj4 s GLU 664 Ca 0.10 -0.02 0.06 0.00 -0.41 0.00 0.00 54.97 54.70 2gj4 s GLU 664 Cb -0.16 -3.85 0.22 0.00 -1.78 0.00 0.00 34.13 28.55 2gj4 s GLU 664 CO 0.11 -0.86 0.52 1.04 -0.49 0.00 0.00 175.26 175.58 2gj4 n GLN 665 N 6.23 1.10 -0.78 1.61 1.13 -0.60 -4.78 117.38 121.29 2gj4 n GLN 665 Ca -0.00 -3.68 0.03 0.00 -1.94 0.00 0.00 57.00 51.41 2gj4 n GLN 665 Cb 0.48 -1.69 0.19 0.00 0.11 0.00 0.00 30.24 29.33 2gj4 n GLN 665 CO 0.00 0.00 0.00 0.44 -1.44 0.00 0.00 177.06 176.06 2gj4 n ILE 666 N 1.75 2.19 -1.69 5.09 -5.35 -1.26 -2.69 119.36 117.39 2gj4 n ILE 666 Ca 0.25 -3.30 -0.36 0.00 -0.27 0.00 0.00 62.75 59.08 2gj4 n ILE 666 Cb 0.47 -0.30 0.07 0.00 -1.74 0.00 0.00 39.64 38.14 2gj4 n ILE 666 CO 0.00 0.00 0.00 -0.94 -1.76 0.00 0.00 176.55 173.85 2gj4 s SER 667 N -3.25 4.56 0.22 7.28 1.04 -1.26 -4.67 113.70 117.62 2gj4 s SER 667 Ca 0.39 2.52 -0.31 0.00 0.48 0.00 0.00 55.95 59.03 2gj4 s SER 667 Cb 0.37 -2.61 -0.11 0.00 0.10 0.00 0.00 66.02 63.78 2gj4 s SER 667 CO -0.06 -2.03 1.61 -0.89 0.98 0.00 0.00 173.24 172.85 2gj4 s THR 668 N -1.59 2.30 0.06 2.02 2.01 -1.15 -4.69 115.64 114.61 2gj4 s THR 668 Ca 0.80 0.23 -0.36 0.00 0.31 0.00 0.00 61.69 62.66 2gj4 s THR 668 Cb -0.34 -3.15 -0.16 0.00 0.01 0.00 0.00 72.50 68.87 2gj4 s THR 668 CO 0.40 0.02 1.48 0.00 -0.69 0.00 0.00 174.62 175.83 2gj4 n ALA 669 N 3.38 -0.17 -0.04 7.40 0.00 -1.26 -1.84 120.51 127.99 2gj4 n ALA 669 Ca 0.12 0.47 0.00 0.00 0.00 0.00 0.00 53.44 54.04 2gj4 n ALA 669 Cb 0.37 -2.19 0.00 0.00 0.00 0.00 0.00 19.45 17.63 2gj4 n ALA 669 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2gj4 n GLY 670 N 3.04 0.42 0.08 0.00 0.00 -1.26 -4.70 105.19 102.77 2gj4 n GLY 670 Ca 0.19 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 46.11 2gj4 n GLY 670 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2gj4 n THR 671 N -2.00 0.99 -3.06 2.61 -2.24 -0.77 -4.88 114.28 104.93 2gj4 n THR 671 Ca 0.00 -0.45 -0.43 0.00 -2.27 0.00 0.00 64.05 60.90 2gj4 n THR 671 Cb 0.00 -0.97 -0.06 0.00 -2.10 0.00 0.00 70.33 67.20 2gj4 n THR 671 CO 0.00 0.00 0.00 -0.70 -0.57 0.00 0.00 175.07 173.80 2gj4 s GLU 672 N -2.35 3.38 0.18 -0.78 2.56 -1.26 -4.77 118.70 115.66 2gj4 s GLU 672 Ca -0.18 -0.22 -0.14 0.00 0.00 0.00 0.00 54.97 54.44 2gj4 s GLU 672 Cb 0.05 -3.92 0.13 0.00 2.00 0.00 0.00 34.13 32.39 2gj4 s GLU 672 CO 0.46 -1.01 1.76 0.00 -0.56 0.00 0.00 175.26 175.92 2gj4 h ALA 673 N 8.85 0.58 0.00 6.30 0.00 -1.90 -2.95 119.26 130.13 2gj4 h ALA 673 Ca -0.25 0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.70 2gj4 h ALA 673 Cb 1.09 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.88 2gj4 h ALA 673 CO 0.91 -0.18 0.00 0.45 0.00 0.00 0.00 179.25 180.43 2gj4 n SER 674 N -4.96 -0.17 0.00 0.00 2.88 -1.26 -4.16 113.62 105.95 2gj4 n SER 674 Ca 0.04 0.48 0.00 0.00 -1.33 0.00 0.00 58.87 58.06 2gj4 n SER 674 Cb 0.16 0.40 0.00 0.00 -0.75 0.00 0.00 64.21 64.02 2gj4 n SER 674 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2gj4 n GLY 675 N 1.52 -2.07 0.00 0.46 0.00 -1.26 -1.01 105.19 102.83 2gj4 n GLY 675 Ca 0.00 -1.38 0.00 0.00 0.00 0.00 0.00 46.02 44.64 2gj4 n GLY 675 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2gj4 n THR 676 N -1.05 0.00 -0.31 2.61 -2.24 -1.26 -4.79 114.28 107.25 2gj4 n THR 676 Ca 0.00 0.00 0.03 0.00 -2.27 0.00 0.00 64.05 61.81 2gj4 n THR 676 Cb 0.00 -0.01 0.18 0.00 -2.10 0.00 0.00 70.33 68.39 2gj4 n THR 676 CO 0.00 0.00 0.00 1.23 -0.57 0.00 0.00 175.07 175.73 2gj4 h GLY 677 N 0.00 1.36 -0.27 3.38 0.00 -1.96 -2.12 103.07 103.46 2gj4 h GLY 677 Ca 0.00 -0.35 0.15 0.00 0.00 0.00 0.00 47.33 47.13 2gj4 h GLY 677 CO 0.00 0.16 -0.03 3.45 0.00 0.00 0.00 176.54 180.12 2gj4 h ASN 678 N 0.86 -0.38 -0.62 0.19 7.08 -1.95 -1.81 115.58 118.96 2gj4 h ASN 678 Ca 0.42 0.18 -0.02 0.00 -3.08 0.00 0.00 56.30 53.80 2gj4 h ASN 678 Cb 0.36 0.34 -0.03 0.00 -2.08 0.00 0.00 38.32 36.91 2gj4 h ASN 678 CO -0.24 -0.17 0.30 0.24 -2.08 0.00 0.00 177.43 175.49 2gj4 h MET 679 N 0.09 0.90 -0.59 4.14 2.86 -1.71 -2.65 114.93 117.96 2gj4 h MET 679 Ca 0.37 -0.13 0.03 0.00 -2.06 0.00 0.00 59.70 57.91 2gj4 h MET 679 Cb 0.63 -0.16 -0.04 0.00 0.06 0.00 0.00 31.60 32.08 2gj4 h MET 679 CO -0.63 0.71 0.36 0.87 1.06 0.00 0.00 176.91 179.28 2gj4 h LYS 680 N 0.86 0.69 -0.62 1.72 1.57 -1.04 -2.06 116.57 117.69 2gj4 h LYS 680 Ca 0.21 -0.04 -0.03 0.00 -1.87 0.00 0.00 60.65 58.92 2gj4 h LYS 680 Cb 0.11 -0.16 -0.03 0.00 0.08 0.00 0.00 32.23 32.24 2gj4 h LYS 680 CO -0.03 0.46 0.25 0.74 -0.57 0.00 0.00 179.45 180.30 2gj4 h PHE 681 N 0.71 0.94 -0.64 -1.35 0.04 -1.32 -2.70 116.94 112.61 2gj4 h PHE 681 Ca 0.24 -0.07 -0.02 0.00 2.80 0.00 0.00 57.97 60.92 2gj4 h PHE 681 Cb 0.03 -0.28 -0.03 0.00 2.20 0.00 0.00 35.95 37.87 2gj4 h PHE 681 CO -0.06 0.74 0.33 1.98 -0.60 0.00 0.00 178.31 180.70 2gj4 h MET 682 N 0.86 0.91 0.00 1.51 4.05 -1.16 -2.50 114.93 118.61 2gj4 h MET 682 Ca 0.21 -0.12 -0.05 0.00 -0.28 0.00 0.00 59.70 59.45 2gj4 h MET 682 Cb 0.20 -0.17 -0.01 0.00 -0.80 0.00 0.00 31.60 30.82 2gj4 h MET 682 CO -0.02 0.72 -0.25 1.25 0.23 0.00 0.00 176.91 178.84 2gj4 h LEU 683 N 0.88 0.00 -3.12 3.39 5.85 -1.33 -3.21 115.31 117.77 2gj4 h LEU 683 Ca 0.22 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.94 2gj4 h LEU 683 Cb 0.09 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.12 2gj4 h LEU 683 CO -0.03 0.25 0.00 0.59 -0.34 0.00 0.00 178.44 178.91 2gj4 n ASN 684 N -3.79 4.36 0.00 1.25 3.02 -1.00 -4.93 115.26 114.17 2gj4 n ASN 684 Ca -0.01 -2.47 0.00 0.00 -0.03 0.00 0.00 54.58 52.07 2gj4 n ASN 684 Cb 0.35 -0.52 0.00 0.00 -0.61 0.00 0.00 39.78 39.00 2gj4 n ASN 684 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2gj4 n GLY 685 N 0.78 0.99 3.81 7.41 0.00 -1.10 -4.78 105.19 112.31 2gj4 n GLY 685 Ca 0.23 -0.48 -0.30 0.00 0.00 0.00 0.00 46.02 45.47 2gj4 n GLY 685 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2gj4 s ALA 686 N -2.00 3.67 0.27 4.61 0.00 -0.98 -4.84 121.76 122.50 2gj4 s ALA 686 Ca 0.00 -0.99 -0.05 0.00 0.00 0.00 0.00 51.96 50.91 2gj4 s ALA 686 Cb 0.00 -1.52 -0.05 0.00 0.00 0.00 0.00 23.12 21.54 2gj4 s ALA 686 CO 0.00 0.74 0.54 -0.51 0.00 0.00 0.00 175.76 176.53 2gj4 s LEU 687 N -2.49 4.09 -0.15 0.00 1.43 -0.33 -4.46 118.68 116.77 2gj4 s LEU 687 Ca 0.31 0.73 -0.03 0.00 -1.03 0.00 0.00 54.13 54.11 2gj4 s LEU 687 Cb -0.12 -3.53 -0.02 0.00 0.03 0.00 0.00 46.19 42.54 2gj4 s LEU 687 CO 0.24 -0.16 -0.06 -0.89 0.23 0.00 0.00 176.35 175.71 2gj4 s THR 688 N -2.02 3.69 -0.27 5.49 2.01 -1.26 -0.48 115.64 122.81 2gj4 s THR 688 Ca 0.44 -0.43 -0.08 0.00 0.31 0.00 0.00 61.69 61.93 2gj4 s THR 688 Cb -0.11 -2.61 -0.03 0.00 0.01 0.00 0.00 72.50 69.77 2gj4 s THR 688 CO 0.28 0.50 0.10 -0.51 -0.69 0.00 0.00 174.62 174.31 2gj4 s ILE 689 N 0.37 4.51 0.26 1.82 2.07 -0.56 -1.66 121.20 128.01 2gj4 s ILE 689 Ca -0.06 -0.17 -0.20 0.00 -1.41 0.00 0.00 60.65 58.81 2gj4 s ILE 689 Cb -0.15 -3.15 0.02 0.00 0.13 0.00 0.00 42.46 39.32 2gj4 s ILE 689 CO 0.04 0.28 0.68 -0.83 -1.91 0.00 0.00 174.94 173.19 2gj4 s GLY 690 N 1.64 -0.10 0.58 1.50 0.00 -0.62 -1.56 107.32 108.76 2gj4 s GLY 690 Ca 0.06 -0.26 -0.05 0.00 0.00 0.00 0.00 44.72 44.48 2gj4 s GLY 690 CO 0.05 -0.11 0.88 -0.51 0.00 0.00 0.00 173.10 173.41 2gj4 s THR 691 N -3.90 3.46 -1.34 0.90 -4.23 -1.10 -1.98 115.64 107.45 2gj4 s THR 691 Ca 0.11 -0.14 -0.14 0.00 -1.18 0.00 0.00 61.69 60.33 2gj4 s THR 691 Cb -0.05 -3.37 0.09 0.00 1.34 0.00 0.00 72.50 70.52 2gj4 s THR 691 CO 0.04 -0.36 1.89 0.23 -0.54 0.00 0.00 174.62 175.88 2gj4 n MET 692 N -2.55 3.18 -4.05 3.99 2.81 -1.26 -4.69 117.12 114.55 2gj4 n MET 692 Ca 0.05 -3.18 -0.13 0.00 -1.81 0.00 0.00 57.70 52.63 2gj4 n MET 692 Cb 0.58 -3.25 -0.12 0.00 -0.71 0.00 0.00 33.22 29.71 2gj4 n MET 692 CO 0.00 0.00 0.00 0.34 1.51 0.00 0.00 175.97 177.82 2gj4 s ASP 693 N 3.05 0.57 0.82 7.83 2.15 -1.26 -4.68 116.67 125.14 2gj4 s ASP 693 Ca 0.47 -0.35 0.00 0.00 0.43 0.00 0.00 52.55 53.10 2gj4 s ASP 693 Cb 0.07 0.02 0.00 0.00 -0.30 0.00 0.00 42.92 42.71 2gj4 s ASP 693 CO -0.00 -0.13 0.00 0.61 -0.17 0.00 0.00 175.17 175.48 2gj4 n GLY 694 N 2.08 2.61 0.01 2.66 0.00 -1.12 -1.82 105.19 109.61 2gj4 n GLY 694 Ca -0.19 -0.25 0.11 0.00 0.00 0.00 0.00 46.02 45.69 2gj4 n GLY 694 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2gj4 n ALA 695 N 8.30 2.07 -0.34 4.61 0.00 -0.18 -3.20 120.51 131.76 2gj4 n ALA 695 Ca 0.00 -0.07 0.11 0.00 0.00 0.00 0.00 53.44 53.48 2gj4 n ALA 695 Cb 0.00 -1.38 0.29 0.00 0.00 0.00 0.00 19.45 18.36 2gj4 n ALA 695 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 177.50 176.59 2gj4 h ASN 696 N 0.00 0.75 -0.47 0.00 4.21 -1.55 -0.52 115.58 118.00 2gj4 h ASN 696 Ca 0.00 0.09 0.02 0.00 1.21 0.00 0.00 56.30 57.62 2gj4 h ASN 696 Cb 0.42 -0.05 -0.03 0.00 -1.12 0.00 0.00 38.32 37.54 2gj4 h ASN 696 CO 0.00 0.30 0.27 0.58 -1.29 0.00 0.00 177.43 177.29 2gj4 h VAL 697 N 0.77 1.04 -0.05 2.81 2.07 -1.64 -1.71 116.25 119.53 2gj4 h VAL 697 Ca 0.54 -0.19 -0.16 0.00 0.82 0.00 0.00 66.70 67.71 2gj4 h VAL 697 Cb 0.79 0.44 -0.01 0.00 -1.52 0.00 0.00 31.29 30.98 2gj4 h VAL 697 CO -0.36 0.10 -0.69 -0.33 0.02 0.00 0.00 177.57 176.30 2gj4 h GLU 698 N 0.55 0.25 -0.24 1.57 5.08 -1.58 -1.73 114.58 118.48 2gj4 h GLU 698 Ca 0.19 -0.20 -0.01 0.00 -1.00 0.00 0.00 59.36 58.34 2gj4 h GLU 698 Cb 0.03 0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.31 2gj4 h GLU 698 CO -0.10 0.85 0.12 0.52 -1.00 0.00 0.00 179.01 179.40 2gj4 h MET 699 N 0.17 0.34 -0.61 2.33 2.86 -0.91 -0.57 114.93 118.54 2gj4 h MET 699 Ca -0.02 -0.04 -0.05 0.00 -2.06 0.00 0.00 59.70 57.52 2gj4 h MET 699 Cb 1.24 -0.06 -0.03 0.00 0.06 0.00 0.00 31.60 32.81 2gj4 h MET 699 CO 0.11 0.33 0.16 0.00 1.06 0.00 0.00 176.91 178.57 2gj4 h ALA 700 N 0.99 1.14 -0.70 6.32 0.00 -1.26 -1.55 119.26 124.20 2gj4 h ALA 700 Ca 0.08 -0.21 -0.02 0.00 0.00 0.00 0.00 54.91 54.76 2gj4 h ALA 700 Cb 0.09 -0.24 -0.03 0.00 0.00 0.00 0.00 17.79 17.61 2gj4 h ALA 700 CO -0.01 0.58 0.37 1.49 0.00 0.00 0.00 179.25 181.68 2gj4 h GLU 701 N 0.90 0.99 -0.38 0.00 4.81 -1.14 0.11 114.58 119.88 2gj4 h GLU 701 Ca 0.20 -0.13 -0.10 0.00 -0.13 0.00 0.00 59.36 59.20 2gj4 h GLU 701 Cb 0.30 -0.19 -0.01 0.00 0.63 0.00 0.00 28.75 29.48 2gj4 h GLU 701 CO -0.00 0.76 -0.14 0.93 -0.73 0.00 0.00 179.01 179.83 2gj4 h GLU 702 N 0.97 0.77 0.00 1.92 4.39 -0.61 -3.28 114.58 118.74 2gj4 h GLU 702 Ca 0.24 -0.31 -0.01 0.00 0.34 0.00 0.00 59.36 59.62 2gj4 h GLU 702 Cb 0.07 -0.03 -0.00 0.00 -0.10 0.00 0.00 28.75 28.69 2gj4 h GLU 702 CO -0.04 0.93 -0.84 0.00 -1.16 0.00 0.00 179.01 177.90 2gj4 h ALA 703 N 0.82 0.59 0.00 3.43 0.00 -1.26 -3.47 119.26 119.37 2gj4 h ALA 703 Ca 0.09 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.96 2gj4 h ALA 703 Cb 0.67 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.47 2gj4 h ALA 703 CO 0.05 0.05 0.00 0.41 0.00 0.00 0.00 179.25 179.75 2gj4 n GLY 704 N 1.18 -0.18 0.29 0.00 0.00 0.37 -4.67 105.19 102.18 2gj4 n GLY 704 Ca 0.00 -1.24 0.16 0.00 0.00 0.00 0.00 46.02 44.93 2gj4 n GLY 704 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 2gj4 h GLU 705 N 0.00 0.00 0.00 1.61 5.08 -1.84 -0.64 114.58 118.79 2gj4 h GLU 705 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 2gj4 h GLU 705 Cb 0.00 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.25 2gj4 h GLU 705 CO 0.00 0.03 0.00 1.05 -1.00 0.00 0.00 179.01 179.09 2gj4 h GLU 706 N 0.00 0.00 -0.56 2.33 9.09 -1.89 -2.49 114.58 121.05 2gj4 h GLU 706 Ca -0.00 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.41 2gj4 h GLU 706 Cb 0.10 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.20 2gj4 h GLU 706 CO 0.00 0.00 0.00 0.09 0.05 0.00 0.00 179.01 179.15 2gj4 n ASN 707 N -2.85 3.56 -4.26 3.06 3.02 -0.25 -4.94 115.26 112.60 2gj4 n ASN 707 Ca -0.02 -1.98 -0.25 0.00 -0.03 0.00 0.00 54.58 52.31 2gj4 n ASN 707 Cb 0.12 -0.37 -0.13 0.00 -0.61 0.00 0.00 39.78 38.78 2gj4 n ASN 707 CO 0.00 0.00 0.00 -0.36 -2.62 0.00 0.00 177.26 174.28 2gj4 s PHE 708 N -1.06 1.76 -1.18 3.10 0.40 -0.94 -4.79 117.98 115.26 2gj4 s PHE 708 Ca 0.40 -0.39 -0.12 0.00 -0.60 0.00 0.00 56.93 56.22 2gj4 s PHE 708 Cb 0.21 -1.02 0.21 0.00 0.51 0.00 0.00 43.02 42.93 2gj4 s PHE 708 CO 0.28 0.13 1.35 1.19 0.70 0.00 0.00 175.22 178.86 2gj4 n PHE 709 N 1.58 5.03 -3.27 0.36 3.72 -0.66 -4.96 117.46 119.25 2gj4 n PHE 709 Ca -0.18 -3.52 -0.39 0.00 -0.05 0.00 0.00 57.45 53.31 2gj4 n PHE 709 Cb 0.53 -2.03 -0.06 0.00 -0.94 0.00 0.00 39.48 36.98 2gj4 n PHE 709 CO 0.00 0.00 0.00 0.42 -0.05 0.00 0.00 176.76 177.13 2gj4 s ILE 710 N 0.63 4.87 0.22 4.37 -1.09 -1.26 -1.59 121.20 127.35 2gj4 s ILE 710 Ca 0.39 1.17 -0.10 0.00 -2.23 0.00 0.00 60.65 59.88 2gj4 s ILE 710 Cb -0.05 -3.89 -0.01 0.00 -1.58 0.00 0.00 42.46 36.93 2gj4 s ILE 710 CO -0.02 0.49 0.38 0.72 -1.23 0.00 0.00 174.94 175.28 2gj4 s PHE 711 N -0.62 0.50 0.00 3.97 -0.71 -0.84 -4.97 117.98 115.31 2gj4 s PHE 711 Ca 0.29 -0.84 0.00 0.00 -1.04 0.00 0.00 56.93 55.34 2gj4 s PHE 711 Cb -0.18 0.01 0.00 0.00 -1.21 0.00 0.00 43.02 41.64 2gj4 s PHE 711 CO 0.17 -0.88 0.00 0.41 -1.34 0.00 0.00 175.22 173.58 2gj4 n GLY 712 N -0.33 -0.92 3.67 1.99 0.00 -1.26 -4.30 105.19 104.04 2gj4 n GLY 712 Ca -0.02 -1.67 -0.43 0.00 0.00 0.00 0.00 46.02 43.89 2gj4 n GLY 712 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 2gj4 n MET 713 N -0.89 1.95 -2.27 1.61 2.81 -1.26 -4.92 117.12 114.14 2gj4 n MET 713 Ca 0.00 0.69 -0.25 0.00 -1.81 0.00 0.00 57.70 56.32 2gj4 n MET 713 Cb 0.00 -2.24 0.07 0.00 -0.71 0.00 0.00 33.22 30.34 2gj4 n MET 713 CO 0.00 0.00 0.00 1.03 1.51 0.00 0.00 175.97 178.51 2gj4 s ARG 714 N -1.49 2.11 0.25 0.03 3.00 -1.26 -4.51 118.95 117.06 2gj4 s ARG 714 Ca 0.59 -0.40 -0.04 0.00 0.00 0.00 0.00 55.73 55.88 2gj4 s ARG 714 Cb -0.61 -2.21 0.45 0.00 0.00 0.00 0.00 34.95 32.58 2gj4 s ARG 714 CO 0.59 -1.26 1.76 0.28 0.00 0.00 0.00 175.30 176.67 2gj4 h VAL 715 N -0.57 0.75 -0.65 3.52 2.07 -1.84 -1.00 116.25 118.54 2gj4 h VAL 715 Ca -0.43 -0.20 0.03 0.00 0.82 0.00 0.00 66.70 66.92 2gj4 h VAL 715 Cb 1.30 0.13 -0.04 0.00 -1.52 0.00 0.00 31.29 31.16 2gj4 h VAL 715 CO 0.56 0.11 0.43 -0.08 0.02 0.00 0.00 177.57 178.61 2gj4 h GLU 716 N 0.58 0.77 -0.15 1.57 4.81 -1.96 -1.63 114.58 118.57 2gj4 h GLU 716 Ca 0.41 -0.05 -0.20 0.00 -0.13 0.00 0.00 59.36 59.40 2gj4 h GLU 716 Cb 0.55 -0.17 0.00 0.00 0.63 0.00 0.00 28.75 29.76 2gj4 h GLU 716 CO -0.34 0.51 -0.72 -0.44 -0.73 0.00 0.00 179.01 177.29 2gj4 h ASP 717 N 0.79 0.78 -0.35 1.04 3.32 -1.58 -2.48 116.42 117.94 2gj4 h ASP 717 Ca 0.26 -0.49 -0.00 0.00 0.02 0.00 0.00 57.03 56.82 2gj4 h ASP 717 Cb 0.05 -0.23 -0.02 0.00 0.22 0.00 0.00 39.33 39.36 2gj4 h ASP 717 CO -0.07 1.27 0.21 0.58 -1.72 0.00 0.00 179.24 179.51 2gj4 h VAL 718 N 0.46 1.11 -0.98 -1.35 2.07 -0.87 -2.35 116.25 114.35 2gj4 h VAL 718 Ca -0.03 -0.25 0.01 0.00 0.82 0.00 0.00 66.70 67.25 2gj4 h VAL 718 Cb 1.32 0.65 -0.05 0.00 -1.52 0.00 0.00 31.29 31.70 2gj4 h VAL 718 CO 0.14 0.11 0.65 0.44 0.02 0.00 0.00 177.57 178.93 2gj4 h ASP 719 N 0.45 1.13 -0.77 0.57 3.32 -1.28 -1.83 116.42 118.01 2gj4 h ASP 719 Ca 0.12 -0.03 -0.05 0.00 0.02 0.00 0.00 57.03 57.09 2gj4 h ASP 719 Cb -0.01 -0.28 -0.03 0.00 0.22 0.00 0.00 39.33 39.23 2gj4 h ASP 719 CO -0.02 0.82 0.27 0.03 -1.72 0.00 0.00 179.24 178.62 2gj4 h ARG 720 N 1.33 1.17 -0.70 3.56 3.08 -1.27 -1.90 114.38 119.65 2gj4 h ARG 720 Ca 0.36 -0.23 -0.05 0.00 0.07 0.00 0.00 59.98 60.13 2gj4 h ARG 720 Cb -0.15 -0.18 -0.03 0.00 0.08 0.00 0.00 29.97 29.69 2gj4 h ARG 720 CO -0.08 0.97 0.24 -0.07 -1.07 0.00 0.00 179.97 179.97 2gj4 h LEU 721 N 1.13 0.99 -0.97 3.04 3.38 -0.96 -2.84 115.31 119.08 2gj4 h LEU 721 Ca 0.25 -0.17 -0.05 0.00 0.09 0.00 0.00 57.88 58.00 2gj4 h LEU 721 Cb 0.27 -0.26 -0.03 0.00 0.09 0.00 0.00 40.66 40.73 2gj4 h LEU 721 CO -0.01 0.91 0.15 0.44 0.09 0.00 0.00 178.44 180.02 2gj4 h ASP 722 N 1.03 0.84 -0.26 -0.43 3.32 -1.05 0.38 116.42 120.25 2gj4 h ASP 722 Ca 0.23 -0.15 -0.06 0.00 0.02 0.00 0.00 57.03 57.08 2gj4 h ASP 722 Cb 0.25 -0.22 -0.02 0.00 0.22 0.00 0.00 39.33 39.57 2gj4 h ASP 722 CO -0.01 0.81 -0.01 1.56 -1.72 0.00 0.00 179.24 179.87 2gj4 h GLN 723 N 0.86 0.58 0.00 3.56 4.20 -1.13 -3.15 115.11 120.04 2gj4 h GLN 723 Ca 0.19 -0.13 -0.07 0.00 0.06 0.00 0.00 58.65 58.69 2gj4 h GLN 723 Cb 0.30 -0.08 -0.01 0.00 0.30 0.00 0.00 27.48 27.98 2gj4 h GLN 723 CO -0.00 0.61 -1.72 -2.13 -0.67 0.00 0.00 178.83 174.92 2gj4 n ARG 724 N -4.26 0.64 0.00 1.46 0.63 -1.11 -5.08 116.66 108.95 2gj4 n ARG 724 Ca 0.02 -0.03 0.00 0.00 -0.92 0.00 0.00 57.85 56.91 2gj4 n ARG 724 Cb 0.26 -1.64 0.00 0.00 0.45 0.00 0.00 32.46 31.53 2gj4 n ARG 724 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 2gj4 n GLY 725 N 1.32 1.69 3.64 5.14 0.00 0.13 -5.00 105.19 112.12 2gj4 n GLY 725 Ca -0.08 -1.28 -0.43 0.00 0.00 0.00 0.00 46.02 44.24 2gj4 n GLY 725 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 2gj4 s TYR 726 N 0.00 2.92 -0.42 1.61 5.04 -1.21 -4.88 117.35 120.41 2gj4 s TYR 726 Ca 0.00 1.05 -0.01 0.00 -2.44 0.00 0.00 57.07 55.67 2gj4 s TYR 726 Cb 0.00 -3.72 0.11 0.00 0.35 0.00 0.00 41.96 38.70 2gj4 s TYR 726 CO 0.00 -1.30 0.19 1.21 -1.34 0.00 0.00 175.55 174.31 2gj4 s ASN 727 N 2.14 5.07 0.47 4.32 2.47 -1.26 -4.97 114.94 123.19 2gj4 s ASN 727 Ca 0.51 -2.20 0.12 0.00 0.42 0.00 0.00 52.86 51.72 2gj4 s ASN 727 Cb -0.16 -1.77 1.09 0.00 -1.45 0.00 0.00 41.25 38.97 2gj4 s ASN 727 CO 0.18 -0.47 2.10 0.00 -3.72 0.00 0.00 177.10 175.19 2gj4 h ALA 728 N 7.75 1.87 -0.58 1.71 0.00 -1.87 -2.77 119.26 125.37 2gj4 h ALA 728 Ca -0.09 -0.02 0.08 0.00 0.00 0.00 0.00 54.91 54.87 2gj4 h ALA 728 Cb 1.02 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 18.71 2gj4 h ALA 728 CO 0.65 0.12 0.39 0.37 0.00 0.00 0.00 179.25 180.78 2gj4 h GLN 729 N 0.21 0.46 -0.80 0.00 5.75 -1.92 -1.74 115.11 117.07 2gj4 h GLN 729 Ca 0.06 -0.03 0.05 0.00 -0.15 0.00 0.00 58.65 58.58 2gj4 h GLN 729 Cb -0.00 -0.10 -0.06 0.00 1.07 0.00 0.00 27.48 28.39 2gj4 h GLN 729 CO -0.01 0.30 0.49 1.49 -2.65 0.00 0.00 178.83 178.45 2gj4 h GLU 730 N 0.47 0.88 -0.18 1.69 4.81 -1.91 0.31 114.58 120.66 2gj4 h GLU 730 Ca 0.26 -0.05 -0.12 0.00 -0.13 0.00 0.00 59.36 59.32 2gj4 h GLU 730 Cb 0.41 -0.20 0.00 0.00 0.63 0.00 0.00 28.75 29.59 2gj4 h GLU 730 CO -0.07 0.58 -0.36 1.88 -0.73 0.00 0.00 179.01 180.31 2gj4 h TYR 731 N 0.91 0.70 -0.62 0.92 0.05 -1.49 -2.45 116.97 114.99 2gj4 h TYR 731 Ca 0.35 -0.25 0.08 0.00 0.05 0.00 0.00 58.73 58.95 2gj4 h TYR 731 Cb 0.14 -0.13 -0.06 0.00 1.01 0.00 0.00 36.73 37.69 2gj4 h TYR 731 CO -0.04 0.99 0.28 -0.92 -1.05 0.00 0.00 178.16 177.42 2gj4 h TYR 732 N 0.21 0.50 0.00 4.88 5.03 -1.29 -2.16 116.97 124.14 2gj4 h TYR 732 Ca 0.01 0.03 -0.03 0.00 2.58 0.00 0.00 58.73 61.31 2gj4 h TYR 732 Cb 0.96 -0.13 -0.00 0.00 1.55 0.00 0.00 36.73 39.10 2gj4 h TYR 732 CO 0.09 0.19 -0.16 -0.44 -1.32 0.00 0.00 178.16 176.52 2gj4 h ASP 733 N 0.51 0.00 -0.00 -2.11 3.32 -0.77 -3.26 116.42 114.10 2gj4 h ASP 733 Ca 0.30 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.35 2gj4 h ASP 733 Cb 0.30 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.85 2gj4 h ASP 733 CO -0.25 0.16 -0.66 0.54 -1.72 0.00 0.00 179.24 177.31 2gj4 n ARG 734 N -3.37 1.49 -3.80 3.56 1.74 -0.94 -4.87 116.66 110.48 2gj4 n ARG 734 Ca -0.00 -0.27 -0.30 0.00 -0.77 0.00 0.00 57.85 56.51 2gj4 n ARG 734 Cb 0.36 -1.30 -0.14 0.00 -1.02 0.00 0.00 32.46 30.36 2gj4 n ARG 734 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 2gj4 s ILE 735 N -2.42 1.58 0.23 0.55 1.01 -0.84 -5.01 121.20 116.30 2gj4 s ILE 735 Ca 0.09 -2.36 -0.08 0.00 0.00 0.00 0.00 60.65 58.30 2gj4 s ILE 735 Cb 0.13 -2.14 0.21 0.00 0.01 0.00 0.00 42.46 40.68 2gj4 s ILE 735 CO 0.61 -0.78 1.67 -0.65 0.00 0.00 0.00 174.94 175.80 2gj4 h PRO 736 N 7.16 0.19 0.00 2.79 0.11 -1.89 -1.56 132.00 138.79 2gj4 h PRO 736 Ca -0.06 -0.01 -0.05 0.00 0.11 0.00 0.00 66.00 65.99 2gj4 h PRO 736 Cb 0.96 -0.04 -0.01 0.00 0.11 0.00 0.00 31.00 32.02 2gj4 h PRO 736 CO 0.52 0.12 -0.23 0.93 -0.21 0.00 0.00 178.00 179.12 2gj4 h GLU 737 N 0.19 0.00 -0.14 1.05 5.08 -1.96 -2.18 114.58 116.62 2gj4 h GLU 737 Ca 0.36 0.00 -0.07 0.00 -1.00 0.00 0.00 59.36 58.65 2gj4 h GLU 737 Cb 0.60 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.85 2gj4 h GLU 737 CO -0.52 0.23 -0.19 1.25 -1.00 0.00 0.00 179.01 178.79 2gj4 h LEU 738 N 0.00 0.41 -0.77 1.33 5.85 -1.67 -3.13 115.31 117.33 2gj4 h LEU 738 Ca -0.00 -0.51 0.09 0.00 0.84 0.00 0.00 57.88 58.30 2gj4 h LEU 738 Cb 0.42 -0.12 -0.07 0.00 0.37 0.00 0.00 40.66 41.27 2gj4 h LEU 738 CO 0.03 0.84 0.42 0.03 -0.34 0.00 0.00 178.44 179.42 2gj4 h ARG 739 N -0.00 0.68 -0.29 1.25 3.08 -1.04 -1.92 114.38 116.14 2gj4 h ARG 739 Ca 0.02 -0.04 0.06 0.00 0.07 0.00 0.00 59.98 60.09 2gj4 h ARG 739 Cb 0.74 -0.15 -0.06 0.00 0.08 0.00 0.00 29.97 30.57 2gj4 h ARG 739 CO 0.04 0.45 -0.11 0.37 -1.07 0.00 0.00 179.97 179.65 2gj4 h GLN 740 N 0.70 -0.06 -0.19 0.04 4.15 -1.42 -1.15 115.11 117.19 2gj4 h GLN 740 Ca 0.37 0.00 -0.02 0.00 0.77 0.00 0.00 58.65 59.78 2gj4 h GLN 740 Cb 0.36 0.01 -0.01 0.00 0.21 0.00 0.00 27.48 28.05 2gj4 h GLN 740 CO -0.25 -0.04 0.05 0.82 -1.93 0.00 0.00 178.83 177.47 2gj4 h ILE 741 N -0.06 1.20 -0.82 2.39 2.04 -1.38 -0.87 117.51 120.02 2gj4 h ILE 741 Ca 0.15 -0.66 0.04 0.00 1.00 0.00 0.00 64.86 65.39 2gj4 h ILE 741 Cb 0.28 1.27 -0.05 0.00 -0.74 0.00 0.00 36.82 37.59 2gj4 h ILE 741 CO -0.33 0.20 0.52 0.40 0.00 0.00 0.00 178.15 178.94 2gj4 h ILE 742 N 0.13 1.11 -0.43 -0.67 1.08 -1.21 -0.46 117.51 117.06 2gj4 h ILE 742 Ca 0.06 -0.34 -0.06 0.00 -0.39 0.00 0.00 64.86 64.12 2gj4 h ILE 742 Cb 0.27 0.02 -0.02 0.00 -3.07 0.00 0.00 36.82 34.02 2gj4 h ILE 742 CO 0.00 0.18 0.00 -0.33 -0.69 0.00 0.00 178.15 177.31 2gj4 h GLU 743 N 1.00 0.69 -0.53 2.37 3.07 -1.00 0.45 114.58 120.63 2gj4 h GLU 743 Ca 0.33 -0.17 -0.01 0.00 -0.50 0.00 0.00 59.36 59.01 2gj4 h GLU 743 Cb 0.04 -0.09 -0.02 0.00 -0.84 0.00 0.00 28.75 27.83 2gj4 h GLU 743 CO -0.12 0.71 0.28 1.96 -1.40 0.00 0.00 179.01 180.43 2gj4 h GLN 744 N 0.65 0.75 -0.41 2.33 4.20 -0.21 -0.28 115.11 122.15 2gj4 h GLN 744 Ca 0.13 -0.09 -0.06 0.00 0.06 0.00 0.00 58.65 58.68 2gj4 h GLN 744 Cb 0.40 -0.14 -0.01 0.00 0.30 0.00 0.00 27.48 28.03 2gj4 h GLN 744 CO 0.02 0.59 0.01 -0.07 -0.67 0.00 0.00 178.83 178.71 2gj4 h LEU 745 N 0.71 0.70 -0.08 1.46 3.38 -0.80 -1.05 115.31 119.64 2gj4 h LEU 745 Ca 0.19 -0.30 -0.01 0.00 0.09 0.00 0.00 57.88 57.85 2gj4 h LEU 745 Cb 0.07 -0.19 -0.00 0.00 0.09 0.00 0.00 40.66 40.63 2gj4 h LEU 745 CO -0.03 0.83 0.02 0.28 0.09 0.00 0.00 178.44 179.63 2gj4 h SER 746 N 0.55 0.12 1.30 -0.43 0.02 -0.81 -3.28 113.55 111.02 2gj4 h SER 746 Ca 0.12 -0.24 0.00 0.00 -0.84 0.00 0.00 61.79 60.82 2gj4 h SER 746 Cb 0.46 -0.03 0.00 0.00 0.14 0.00 0.00 62.40 62.97 2gj4 h SER 746 CO 0.02 0.33 0.00 0.77 -1.14 0.00 0.00 176.83 176.81 2gj4 h SER 747 N -0.10 0.00 0.00 3.07 4.64 -1.10 -3.43 113.55 116.62 2gj4 h SER 747 Ca 0.02 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.34 2gj4 h SER 747 Cb 0.26 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.35 2gj4 h SER 747 CO 0.00 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 176.57 2gj4 n GLY 748 N 0.71 1.11 0.37 -0.77 0.00 -1.12 -4.85 105.19 100.64 2gj4 n GLY 748 Ca 0.04 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.18 2gj4 n GLY 748 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 2gj4 h PHE 749 N 0.00 0.90 -0.59 1.61 3.57 -1.47 -1.26 116.94 119.70 2gj4 h PHE 749 Ca 0.00 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.53 2gj4 h PHE 749 Cb 0.00 -0.28 0.00 0.00 2.79 0.00 0.00 35.95 38.46 2gj4 h PHE 749 CO 0.00 0.30 0.00 1.19 -2.23 0.00 0.00 178.31 177.57 2gj4 n PHE 750 N -4.61 0.78 -2.93 0.41 3.72 -1.25 -4.49 117.46 109.09 2gj4 n PHE 750 Ca 0.19 -0.39 -0.14 0.00 -0.05 0.00 0.00 57.45 57.06 2gj4 n PHE 750 Cb 0.50 -0.00 0.02 0.00 -0.94 0.00 0.00 39.48 39.06 2gj4 n PHE 750 CO 0.00 0.00 0.00 -1.13 -0.05 0.00 0.00 176.76 175.58 2gj4 n SER 751 N 1.61 -1.25 -0.35 4.37 3.41 -0.54 -4.78 113.62 116.08 2gj4 n SER 751 Ca 0.23 -3.27 0.11 0.00 -0.26 0.00 0.00 58.87 55.68 2gj4 n SER 751 Cb 0.62 0.84 0.30 0.00 -0.26 0.00 0.00 64.21 65.71 2gj4 n SER 751 CO 0.00 0.00 0.00 -0.65 -0.16 0.00 0.00 175.04 174.23 2gj4 h PRO 752 N 3.39 0.80 0.00 4.33 0.11 -1.60 -1.63 132.00 137.40 2gj4 h PRO 752 Ca -0.03 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 66.03 2gj4 h PRO 752 Cb 1.01 -0.18 0.00 0.00 0.11 0.00 0.00 31.00 31.94 2gj4 h PRO 752 CO 0.32 0.53 -0.06 0.87 -0.21 0.00 0.00 178.00 179.45 2gj4 h LYS 753 N 0.83 0.00 -2.56 1.05 1.57 -1.96 -3.36 116.57 112.14 2gj4 h LYS 753 Ca 0.55 0.00 -0.59 0.00 -1.87 0.00 0.00 60.65 58.74 2gj4 h LYS 753 Cb 0.79 0.00 -0.39 0.00 0.08 0.00 0.00 32.23 32.71 2gj4 h LYS 753 CO -0.34 0.00 -0.88 -1.14 -0.57 0.00 0.00 179.45 176.52 2gj4 s GLN 754 N -3.19 1.12 0.48 3.15 0.74 -0.65 -5.03 119.66 116.28 2gj4 s GLN 754 Ca 0.08 -2.16 0.24 0.00 0.05 0.00 0.00 55.36 53.57 2gj4 s GLN 754 Cb 0.07 -1.78 1.29 0.00 1.10 0.00 0.00 33.01 33.69 2gj4 s GLN 754 CO 0.66 -1.33 1.89 -1.35 -0.55 0.00 0.00 175.29 174.61 2gj4 h PRO 755 N 5.91 0.18 -0.63 1.67 0.11 -1.63 -1.17 132.00 136.44 2gj4 h PRO 755 Ca 0.19 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.29 2gj4 h PRO 755 Cb 0.90 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 31.97 2gj4 h PRO 755 CO 0.42 0.12 0.00 -0.40 -0.21 0.00 0.00 178.00 177.92 2gj4 n ASP 756 N -4.39 3.83 -0.33 -2.05 5.75 -1.26 -3.50 116.55 114.59 2gj4 n ASP 756 Ca 0.18 -2.26 0.12 0.00 -0.01 0.00 0.00 54.79 52.82 2gj4 n ASP 756 Cb 0.79 -0.49 0.30 0.00 -1.03 0.00 0.00 41.12 40.69 2gj4 n ASP 756 CO 0.00 0.00 0.00 0.25 -0.11 0.00 0.00 177.20 177.34 2gj4 h LEU 757 N 3.49 0.62 -3.54 -2.12 5.85 -1.53 -2.36 115.31 115.72 2gj4 h LEU 757 Ca 0.00 0.11 -0.09 0.00 0.84 0.00 0.00 57.88 58.74 2gj4 h LEU 757 Cb 1.12 0.01 -0.05 0.00 0.37 0.00 0.00 40.66 42.11 2gj4 h LEU 757 CO 0.14 0.18 0.09 0.49 -0.34 0.00 0.00 178.44 179.00 2gj4 n PHE 758 N -4.86 1.88 -0.30 1.25 3.72 -1.26 -4.61 117.46 113.28 2gj4 n PHE 758 Ca 0.22 -0.99 0.05 0.00 -0.05 0.00 0.00 57.45 56.67 2gj4 n PHE 758 Cb 0.58 -0.53 0.25 0.00 -0.94 0.00 0.00 39.48 38.84 2gj4 n PHE 758 CO 0.00 0.00 0.00 1.57 -0.05 0.00 0.00 176.76 178.28 2gj4 h LYS 759 N 2.79 0.96 -0.31 -1.08 2.10 -1.73 -2.20 116.57 117.11 2gj4 h LYS 759 Ca 0.11 -0.06 -0.12 0.00 -2.00 0.00 0.00 60.65 58.58 2gj4 h LYS 759 Cb 1.97 -0.22 -0.01 0.00 -0.90 0.00 0.00 32.23 33.07 2gj4 h LYS 759 CO 0.51 0.64 -0.29 -0.44 -2.00 0.00 0.00 179.45 177.87 2gj4 h ASP 760 N 0.99 0.67 -0.10 7.07 3.32 -1.84 -0.58 116.42 125.96 2gj4 h ASP 760 Ca 0.40 -0.26 -0.01 0.00 0.02 0.00 0.00 57.03 57.18 2gj4 h ASP 760 Cb 0.26 -0.19 -0.00 0.00 0.22 0.00 0.00 39.33 39.62 2gj4 h ASP 760 CO -0.16 0.93 0.03 0.40 -1.72 0.00 0.00 179.24 178.72 2gj4 h ILE 761 N 0.56 1.18 -0.47 0.35 2.04 -1.78 -2.07 117.51 117.33 2gj4 h ILE 761 Ca 0.07 -0.55 0.03 0.00 1.00 0.00 0.00 64.86 65.41 2gj4 h ILE 761 Cb 0.79 1.37 -0.04 0.00 -0.74 0.00 0.00 36.82 38.20 2gj4 h ILE 761 CO 0.06 0.16 0.25 0.58 0.00 0.00 0.00 178.15 179.21 2gj4 h VAL 762 N -0.04 1.00 -0.80 1.67 2.07 -1.30 -1.74 116.25 117.13 2gj4 h VAL 762 Ca 0.03 -0.17 0.02 0.00 0.82 0.00 0.00 66.70 67.40 2gj4 h VAL 762 Cb 0.23 0.45 -0.04 0.00 -1.52 0.00 0.00 31.29 30.41 2gj4 h VAL 762 CO -0.00 0.09 0.52 -1.13 0.02 0.00 0.00 177.57 177.07 2gj4 h ASN 763 N 0.51 0.87 -0.06 0.57 -0.00 -1.06 -1.06 115.58 115.35 2gj4 h ASN 763 Ca 0.19 -0.01 -0.01 0.00 -0.00 0.00 0.00 56.30 56.47 2gj4 h ASN 763 Cb 0.06 -0.20 -0.00 0.00 -0.00 0.00 0.00 38.32 38.18 2gj4 h ASN 763 CO -0.11 0.61 -0.00 -0.03 -0.00 0.00 0.00 177.43 177.89 2gj4 h MET 764 N 1.02 0.11 -0.70 6.67 4.05 -1.13 -1.43 114.93 123.53 2gj4 h MET 764 Ca 0.31 -0.04 0.04 0.00 -0.28 0.00 0.00 59.70 59.73 2gj4 h MET 764 Cb -0.04 -0.01 -0.05 0.00 -0.80 0.00 0.00 31.60 30.70 2gj4 h MET 764 CO -0.09 0.40 0.43 -0.07 0.23 0.00 0.00 176.91 177.80 2gj4 h LEU 765 N -0.20 0.68 -0.32 3.39 3.38 -1.18 0.12 115.31 121.18 2gj4 h LEU 765 Ca 0.02 0.01 -0.18 0.00 0.09 0.00 0.00 57.88 57.81 2gj4 h LEU 765 Cb 0.36 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 40.95 2gj4 h LEU 765 CO 0.00 0.46 -0.85 0.24 0.09 0.00 0.00 178.44 178.39 2gj4 h MET 766 N 0.82 0.05 0.00 1.13 2.86 -1.17 -3.41 114.93 115.21 2gj4 h MET 766 Ca 0.29 -0.05 0.00 0.00 -2.06 0.00 0.00 59.70 57.88 2gj4 h MET 766 Cb 0.07 0.02 0.00 0.00 0.06 0.00 0.00 31.60 31.75 2gj4 h MET 766 CO -0.13 0.86 -0.34 0.72 1.06 0.00 0.00 176.91 179.08 2gj4 n HIS 767 N -3.57 0.00 -2.64 -0.22 8.25 -0.54 -4.40 115.22 112.10 2gj4 n HIS 767 Ca -0.01 0.00 0.02 0.00 -0.26 0.00 0.00 57.72 57.47 2gj4 n HIS 767 Cb 0.80 0.00 0.03 0.00 1.12 0.00 0.00 29.99 31.94 2gj4 n HIS 767 CO 0.00 0.00 0.00 0.72 0.64 0.00 0.00 176.34 177.70 2gj4 n HIS 768 N -0.56 0.52 -2.91 4.41 8.25 0.22 -5.03 115.22 120.13 2gj4 n HIS 768 Ca 0.00 -1.18 -0.43 0.00 -0.26 0.00 0.00 57.72 55.84 2gj4 n HIS 768 Cb 0.00 -0.18 -0.04 0.00 1.12 0.00 0.00 29.99 30.89 2gj4 n HIS 768 CO 0.00 0.00 0.00 0.34 0.64 0.00 0.00 176.34 177.32 2gj4 s ASP 769 N -2.75 6.21 0.08 0.41 2.15 -0.08 -4.86 116.67 117.83 2gj4 s ASP 769 Ca 0.31 -1.15 0.16 0.00 0.43 0.00 0.00 52.55 52.31 2gj4 s ASP 769 Cb 0.36 -2.40 0.69 0.00 -0.30 0.00 0.00 42.92 41.27 2gj4 s ASP 769 CO -0.12 -1.36 1.50 0.54 -0.17 0.00 0.00 175.17 175.57 2gj4 n ARG 770 N 7.38 0.06 -0.07 4.34 1.74 -1.26 -3.46 116.66 125.39 2gj4 n ARG 770 Ca -0.03 0.33 0.02 0.00 -0.77 0.00 0.00 57.85 57.40 2gj4 n ARG 770 Cb 0.45 -1.62 0.06 0.00 -1.02 0.00 0.00 32.46 30.34 2gj4 n ARG 770 CO 0.00 0.00 0.00 1.19 -1.52 0.00 0.00 177.63 177.30 2gj4 n PHE 771 N -1.73 0.19 -3.69 -1.55 3.72 -1.26 -5.03 117.46 108.12 2gj4 n PHE 771 Ca 0.03 -0.47 -0.23 0.00 -0.05 0.00 0.00 57.45 56.72 2gj4 n PHE 771 Cb 0.17 -0.04 0.05 0.00 -0.94 0.00 0.00 39.48 38.72 2gj4 n PHE 771 CO 0.00 0.00 0.00 1.63 -0.05 0.00 0.00 176.76 178.34 2gj4 n LYS 772 N -0.04 -5.81 -0.10 -1.08 5.02 -1.22 -4.78 118.16 110.15 2gj4 n LYS 772 Ca 0.05 0.69 -0.06 0.00 -2.02 0.00 0.00 58.31 56.96 2gj4 n LYS 772 Cb 0.32 -5.48 0.01 0.00 -0.02 0.00 0.00 35.03 29.86 2gj4 n LYS 772 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 2gj4 h VAL 773 N -2.05 0.90 -0.10 -0.18 2.07 -1.94 -2.70 116.25 112.25 2gj4 h VAL 773 Ca -0.59 -0.09 -0.04 0.00 0.82 0.00 0.00 66.70 66.79 2gj4 h VAL 773 Cb 1.36 0.60 -0.01 0.00 -1.52 0.00 0.00 31.29 31.72 2gj4 h VAL 773 CO 0.58 0.05 -0.12 -0.26 0.02 0.00 0.00 177.57 177.84 2gj4 h PHE 774 N 0.27 0.16 0.00 1.57 0.04 -1.92 -2.91 116.94 114.15 2gj4 h PHE 774 Ca 0.16 -0.01 -0.03 0.00 2.80 0.00 0.00 57.97 60.89 2gj4 h PHE 774 Cb 0.14 -0.05 -0.00 0.00 2.20 0.00 0.00 35.95 38.23 2gj4 h PHE 774 CO -0.14 0.28 -0.12 0.00 -0.60 0.00 0.00 178.31 177.72 2gj4 h ALA 775 N 1.73 1.12 -0.32 2.45 0.00 -1.86 -2.74 119.26 119.64 2gj4 h ALA 775 Ca 0.03 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.83 2gj4 h ALA 775 Cb 0.31 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.08 2gj4 h ALA 775 CO 0.02 0.15 0.00 -0.25 0.00 0.00 0.00 179.25 179.17 2gj4 n ASP 776 N -3.40 2.99 0.02 0.00 8.00 -1.11 -4.72 116.55 118.33 2gj4 n ASP 776 Ca -0.01 -1.88 -0.12 0.00 0.71 0.00 0.00 54.79 53.49 2gj4 n ASP 776 Cb 0.30 -0.21 -0.08 0.00 -0.02 0.00 0.00 41.12 41.11 2gj4 n ASP 776 CO 0.00 0.00 0.00 0.22 -0.39 0.00 0.00 177.20 177.03 2gj4 h TYR 777 N 3.14 -0.00 -0.27 1.24 3.20 -1.45 -1.75 116.97 121.08 2gj4 h TYR 777 Ca 0.00 -0.00 -0.04 0.00 3.14 0.00 0.00 58.73 61.83 2gj4 h TYR 777 Cb 0.79 0.00 -0.01 0.00 1.54 0.00 0.00 36.73 39.05 2gj4 h TYR 777 CO 0.21 0.15 0.03 0.93 -1.64 0.00 0.00 178.16 177.84 2gj4 h GLU 778 N -0.15 0.46 -0.38 1.82 5.08 -1.85 -1.61 114.58 117.95 2gj4 h GLU 778 Ca -0.00 -0.13 -0.05 0.00 -1.00 0.00 0.00 59.36 58.18 2gj4 h GLU 778 Cb 0.15 -0.05 -0.02 0.00 0.50 0.00 0.00 28.75 29.33 2gj4 h GLU 778 CO 0.00 0.59 0.04 0.93 -1.00 0.00 0.00 179.01 179.57 2gj4 h GLU 779 N 0.27 0.58 -0.20 2.33 5.08 -1.88 -2.14 114.58 118.61 2gj4 h GLU 779 Ca 0.08 -0.12 -0.03 0.00 -1.00 0.00 0.00 59.36 58.30 2gj4 h GLU 779 Cb 0.37 -0.09 -0.01 0.00 0.50 0.00 0.00 28.75 29.52 2gj4 h GLU 779 CO 0.01 0.58 0.02 -0.92 -1.00 0.00 0.00 179.01 177.70 2gj4 h TYR 780 N 0.56 0.36 -0.63 4.33 3.20 -1.06 0.02 116.97 123.75 2gj4 h TYR 780 Ca 0.12 -0.05 -0.02 0.00 3.14 0.00 0.00 58.73 61.92 2gj4 h TYR 780 Cb 0.30 -0.10 -0.03 0.00 1.54 0.00 0.00 36.73 38.45 2gj4 h TYR 780 CO 0.01 0.50 0.31 0.28 -1.64 0.00 0.00 178.16 177.61 2gj4 h VAL 781 N 0.12 1.22 -0.62 1.81 2.07 -1.16 -1.12 116.25 118.56 2gj4 h VAL 781 Ca 0.06 -0.60 -0.10 0.00 0.82 0.00 0.00 66.70 66.88 2gj4 h VAL 781 Cb 0.34 0.46 -0.02 0.00 -1.52 0.00 0.00 31.29 30.54 2gj4 h VAL 781 CO 0.01 0.25 0.00 0.11 0.02 0.00 0.00 177.57 177.96 2gj4 h LYS 782 N 0.86 1.09 -0.79 1.57 1.57 -1.33 -2.38 116.57 117.16 2gj4 h LYS 782 Ca 0.22 -0.34 -0.01 0.00 -1.87 0.00 0.00 60.65 58.64 2gj4 h LYS 782 Cb 0.11 -0.10 -0.04 0.00 0.08 0.00 0.00 32.23 32.28 2gj4 h LYS 782 CO -0.03 1.06 0.45 0.00 -0.57 0.00 0.00 179.45 180.36 2gj4 h GLN 784 N 1.09 0.34 -0.86 0.00 1.08 -1.03 -1.88 115.11 113.86 2gj4 h GLN 784 Ca 0.28 -0.06 -0.00 0.00 -1.45 0.00 0.00 58.65 57.42 2gj4 h GLN 784 Cb 0.00 -0.06 -0.04 0.00 -0.05 0.00 0.00 27.48 27.34 2gj4 h GLN 784 CO -0.05 0.39 0.53 0.93 -0.95 0.00 0.00 178.83 179.69 2gj4 h GLU 785 N 0.33 1.15 -0.23 1.46 5.08 -0.97 -2.31 114.58 119.10 2gj4 h GLU 785 Ca 0.08 -0.09 -0.09 0.00 -1.00 0.00 0.00 59.36 58.25 2gj4 h GLU 785 Cb 0.27 -0.25 -0.01 0.00 0.50 0.00 0.00 28.75 29.26 2gj4 h GLU 785 CO 0.01 0.79 -0.25 0.00 -1.00 0.00 0.00 179.01 178.57 2gj4 h ARG 786 N 1.17 0.43 -0.26 2.33 3.08 -1.11 -1.35 114.38 118.67 2gj4 h ARG 786 Ca 0.31 -0.15 0.00 0.00 0.07 0.00 0.00 59.98 60.21 2gj4 h ARG 786 Cb -0.08 -0.03 -0.01 0.00 0.08 0.00 0.00 29.97 29.93 2gj4 h ARG 786 CO -0.06 0.65 0.17 0.28 -1.07 0.00 0.00 179.97 179.93 2gj4 h VAL 787 N 0.38 1.06 -0.71 2.04 2.07 -0.98 -2.20 116.25 117.90 2gj4 h VAL 787 Ca 0.06 -0.12 -0.07 0.00 0.82 0.00 0.00 66.70 67.39 2gj4 h VAL 787 Cb 0.64 0.69 -0.03 0.00 -1.52 0.00 0.00 31.29 31.07 2gj4 h VAL 787 CO 0.05 0.06 0.16 0.28 0.02 0.00 0.00 177.57 178.14 2gj4 h SER 788 N 0.34 1.09 -0.74 0.57 0.02 -1.16 -1.82 113.55 111.85 2gj4 h SER 788 Ca 0.09 -0.24 0.04 0.00 -0.84 0.00 0.00 61.79 60.84 2gj4 h SER 788 Cb -0.03 -0.29 -0.05 0.00 0.14 0.00 0.00 62.40 62.17 2gj4 h SER 788 CO -0.02 1.05 0.46 0.00 -1.14 0.00 0.00 176.83 177.17 2gj4 h ALA 789 N 1.08 0.98 -0.20 3.77 0.00 -1.05 -2.48 119.26 121.36 2gj4 h ALA 789 Ca 0.22 -0.02 -0.16 0.00 0.00 0.00 0.00 54.91 54.95 2gj4 h ALA 789 Cb 0.39 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.95 2gj4 h ALA 789 CO 0.00 0.22 -0.54 1.25 0.00 0.00 0.00 179.25 180.18 2gj4 h LEU 790 N 0.87 0.67 -1.89 0.00 5.85 -1.15 -3.14 115.31 116.53 2gj4 h LEU 790 Ca 0.30 -0.36 -0.01 0.00 0.84 0.00 0.00 57.88 58.66 2gj4 h LEU 790 Cb 0.06 -0.19 -0.00 0.00 0.37 0.00 0.00 40.66 40.90 2gj4 h LEU 790 CO -0.13 1.08 -0.06 0.22 -0.34 0.00 0.00 178.44 179.21 2gj4 h TYR 791 N 0.47 0.00 0.00 1.25 3.20 -0.95 -0.81 116.97 120.13 2gj4 h TYR 791 Ca 0.01 0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.88 2gj4 h TYR 791 Cb 1.09 0.00 0.00 0.00 1.54 0.00 0.00 36.73 39.36 2gj4 h TYR 791 CO 0.05 0.06 0.00 0.87 -1.64 0.00 0.00 178.16 177.50 2gj4 h LYS 792 N 0.00 0.00 -3.52 1.82 1.57 -1.40 -3.34 116.57 111.71 2gj4 h LYS 792 Ca -0.00 0.00 -0.70 0.00 -1.87 0.00 0.00 60.65 58.08 2gj4 h LYS 792 Cb 0.11 0.00 -0.35 0.00 0.08 0.00 0.00 32.23 32.07 2gj4 h LYS 792 CO 0.01 0.00 -0.32 1.21 -0.57 0.00 0.00 179.45 179.78 2gj4 s ASN 793 N -4.92 5.34 0.26 0.86 3.84 -0.31 -4.99 114.94 115.02 2gj4 s ASN 793 Ca -0.03 -3.01 -0.02 0.00 0.21 0.00 0.00 52.86 50.01 2gj4 s ASN 793 Cb 0.10 -1.86 0.47 0.00 -0.55 0.00 0.00 41.25 39.41 2gj4 s ASN 793 CO 0.38 -0.34 1.79 -0.65 -2.79 0.00 0.00 177.10 175.50 2gj4 h PRO 794 N 6.84 0.71 -0.36 0.43 0.11 -1.77 -1.20 132.00 136.76 2gj4 h PRO 794 Ca 0.02 -0.04 -0.01 0.00 0.11 0.00 0.00 66.00 66.08 2gj4 h PRO 794 Cb 0.93 -0.16 -0.02 0.00 0.11 0.00 0.00 31.00 31.86 2gj4 h PRO 794 CO 0.73 0.47 0.19 -0.09 -0.21 0.00 0.00 178.00 179.09 2gj4 h ARG 795 N 0.73 0.50 0.00 1.05 2.43 -1.94 -1.80 114.38 115.36 2gj4 h ARG 795 Ca 0.43 -0.06 -0.15 0.00 -0.81 0.00 0.00 59.98 59.39 2gj4 h ARG 795 Cb 0.50 -0.10 -0.02 0.00 -0.42 0.00 0.00 29.97 29.93 2gj4 h ARG 795 CO -0.30 0.42 -0.71 0.93 -1.51 0.00 0.00 179.97 178.80 2gj4 h GLU 796 N 0.45 0.00 0.11 0.20 4.39 -1.80 -1.39 114.58 116.54 2gj4 h GLU 796 Ca 0.12 0.00 -0.00 0.00 0.34 0.00 0.00 59.36 59.82 2gj4 h GLU 796 Cb 0.07 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 28.71 2gj4 h GLU 796 CO -0.02 0.71 -0.07 2.35 -1.16 0.00 0.00 179.01 180.82 2gj4 h TRP 797 N 0.00 -0.18 -0.55 4.33 2.91 -1.09 -2.32 115.95 119.05 2gj4 h TRP 797 Ca -0.01 -0.00 -0.04 0.00 1.13 0.00 0.00 58.89 59.97 2gj4 h TRP 797 Cb 1.38 0.06 -0.03 0.00 -0.51 0.00 0.00 29.16 30.06 2gj4 h TRP 797 CO 0.00 -0.11 0.19 1.15 -1.03 0.00 0.00 178.44 178.63 2gj4 h THR 798 N -0.18 1.21 -0.48 2.65 2.02 -1.17 -1.88 112.91 115.09 2gj4 h THR 798 Ca -0.01 -0.71 -0.09 0.00 0.77 0.00 0.00 66.41 66.38 2gj4 h THR 798 Cb 0.15 0.59 -0.02 0.00 -1.74 0.00 0.00 68.15 67.13 2gj4 h THR 798 CO 0.01 0.27 -0.05 0.03 0.37 0.00 0.00 175.52 176.15 2gj4 h ARG 799 N 0.80 0.83 -0.27 6.66 3.08 -1.17 -1.06 114.38 123.24 2gj4 h ARG 799 Ca 0.19 -0.25 -0.10 0.00 0.07 0.00 0.00 59.98 59.88 2gj4 h ARG 799 Cb 0.21 -0.08 -0.01 0.00 0.08 0.00 0.00 29.97 30.17 2gj4 h ARG 799 CO -0.01 0.86 -0.25 1.98 -1.07 0.00 0.00 179.97 181.49 2gj4 h MET 800 N 0.76 0.53 -0.48 0.04 4.05 -1.06 -2.49 114.93 116.28 2gj4 h MET 800 Ca 0.14 -0.20 -0.02 0.00 -0.28 0.00 0.00 59.70 59.34 2gj4 h MET 800 Cb 0.53 -0.03 -0.02 0.00 -0.80 0.00 0.00 31.60 31.28 2gj4 h MET 800 CO 0.03 0.74 0.23 0.28 0.23 0.00 0.00 176.91 178.42 2gj4 h VAL 801 N 0.47 1.19 -0.99 -5.77 2.07 -0.81 -2.13 116.25 110.27 2gj4 h VAL 801 Ca 0.07 -0.54 0.04 0.00 0.82 0.00 0.00 66.70 67.09 2gj4 h VAL 801 Cb 0.68 0.66 -0.06 0.00 -1.52 0.00 0.00 31.29 31.05 2gj4 h VAL 801 CO 0.05 0.21 0.65 0.40 0.02 0.00 0.00 177.57 178.90 2gj4 h ILE 802 N 0.63 1.17 0.00 4.57 2.04 -0.96 -0.45 117.51 124.51 2gj4 h ILE 802 Ca 0.16 -0.43 -0.04 0.00 1.00 0.00 0.00 64.86 65.56 2gj4 h ILE 802 Cb 0.12 -0.19 -0.01 0.00 -0.74 0.00 0.00 36.82 36.01 2gj4 h ILE 802 CO -0.02 0.23 -0.20 0.03 0.00 0.00 0.00 178.15 178.19 2gj4 h ARG 803 N 1.25 0.00 0.11 2.37 3.08 -1.05 -1.48 114.38 118.65 2gj4 h ARG 803 Ca 0.39 0.00 -0.01 0.00 0.07 0.00 0.00 59.98 60.44 2gj4 h ARG 803 Cb 0.01 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.06 2gj4 h ARG 803 CO -0.12 0.20 -0.05 -0.91 -1.07 0.00 0.00 179.97 178.01 2gj4 h ASN 804 N 0.00 -0.12 -0.68 7.04 2.35 -0.59 -3.29 115.58 120.29 2gj4 h ASN 804 Ca -0.00 -0.25 0.12 0.00 -0.55 0.00 0.00 56.30 55.62 2gj4 h ASN 804 Cb 0.54 0.03 -0.08 0.00 0.05 0.00 0.00 38.32 38.86 2gj4 h ASN 804 CO 0.03 0.47 0.26 0.40 -1.65 0.00 0.00 177.43 176.93 2gj4 h ILE 805 N -0.99 0.71 0.00 2.81 2.04 -1.11 -1.57 117.51 119.40 2gj4 h ILE 805 Ca -0.01 -0.14 -0.00 0.00 1.00 0.00 0.00 64.86 65.70 2gj4 h ILE 805 Cb 0.36 0.25 -0.00 0.00 -0.74 0.00 0.00 36.82 36.69 2gj4 h ILE 805 CO 0.02 0.08 -0.01 0.00 0.00 0.00 0.00 178.15 178.24 2gj4 h ALA 806 N 1.48 1.04 -0.12 1.87 0.00 -1.41 -2.78 119.26 119.34 2gj4 h ALA 806 Ca 0.36 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.26 2gj4 h ALA 806 Cb 0.50 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.28 2gj4 h ALA 806 CO -0.36 0.01 0.00 0.25 0.00 0.00 0.00 179.25 179.15 2gj4 n THR 807 N -3.15 1.59 1.42 0.00 -2.24 -0.62 -2.21 114.28 109.09 2gj4 n THR 807 Ca -0.02 -1.62 0.14 0.00 -2.27 0.00 0.00 64.05 60.28 2gj4 n THR 807 Cb 0.14 0.08 0.63 0.00 -2.10 0.00 0.00 70.33 69.08 2gj4 n THR 807 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 2gj4 n SER 808 N -0.62 0.44 -0.13 3.42 3.41 -1.05 -4.42 113.62 114.67 2gj4 n SER 808 Ca 0.12 -0.57 0.11 0.00 -0.26 0.00 0.00 58.87 58.28 2gj4 n SER 808 Cb 0.56 -0.08 0.45 0.00 -0.26 0.00 0.00 64.21 64.88 2gj4 n SER 808 CO 0.00 0.00 0.00 1.23 -0.16 0.00 0.00 175.04 176.11 2gj4 h GLY 809 N 4.97 0.74 1.58 5.00 0.00 -1.80 -1.71 103.07 111.85 2gj4 h GLY 809 Ca 0.00 -0.21 0.05 0.00 0.00 0.00 0.00 47.33 47.17 2gj4 h GLY 809 CO 0.00 0.13 0.16 1.70 0.00 0.00 0.00 176.54 178.53 2gj4 h LYS 810 N 0.52 0.00 -0.52 4.80 3.64 -1.89 -2.85 116.57 120.27 2gj4 h LYS 810 Ca 0.31 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.69 2gj4 h LYS 810 Cb 0.52 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.34 2gj4 h LYS 810 CO -0.10 0.00 0.00 1.19 -2.27 0.00 0.00 179.45 178.27 2gj4 n PHE 811 N -4.12 0.70 -2.17 1.91 3.72 -0.64 -4.78 117.46 112.09 2gj4 n PHE 811 Ca 0.01 -0.30 -0.41 0.00 -0.05 0.00 0.00 57.45 56.70 2gj4 n PHE 811 Cb 0.29 -0.10 -0.03 0.00 -0.94 0.00 0.00 39.48 38.70 2gj4 n PHE 811 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 176.76 177.16 2gj4 s SER 812 N -0.81 6.83 0.30 4.37 0.15 -1.08 -0.86 113.70 122.61 2gj4 s SER 812 Ca 0.27 2.44 0.23 0.00 0.70 0.00 0.00 55.95 59.58 2gj4 s SER 812 Cb 0.16 -2.61 1.11 0.00 -1.71 0.00 0.00 66.02 62.97 2gj4 s SER 812 CO 0.15 -0.59 1.70 -1.54 1.20 0.00 0.00 173.24 174.16 2gj4 n SER 813 N 2.87 0.64 -0.23 5.45 3.41 -0.25 -2.02 113.62 123.49 2gj4 n SER 813 Ca 0.07 0.73 -0.07 0.00 -0.26 0.00 0.00 58.87 59.34 2gj4 n SER 813 Cb 0.42 -0.83 0.04 0.00 -0.26 0.00 0.00 64.21 63.58 2gj4 n SER 813 CO 0.00 0.00 0.00 0.44 -0.16 0.00 0.00 175.04 175.32 2gj4 h ASP 814 N 0.00 0.85 -0.26 4.04 3.32 -1.91 -0.74 116.42 121.72 2gj4 h ASP 814 Ca 0.00 -0.14 -0.02 0.00 0.02 0.00 0.00 57.03 56.89 2gj4 h ASP 814 Cb 0.17 -0.22 -0.01 0.00 0.22 0.00 0.00 39.33 39.49 2gj4 h ASP 814 CO 0.00 0.75 0.09 -0.09 -1.72 0.00 0.00 179.24 178.27 2gj4 h ARG 815 N 0.89 0.40 0.04 3.56 1.12 -1.73 -1.20 114.38 117.47 2gj4 h ARG 815 Ca 0.22 -0.08 0.02 0.00 -1.11 0.00 0.00 59.98 59.03 2gj4 h ARG 815 Cb 0.13 -0.06 -0.03 0.00 -0.01 0.00 0.00 29.97 30.00 2gj4 h ARG 815 CO -0.03 0.46 -0.17 1.15 -3.11 0.00 0.00 179.97 178.27 2gj4 h THR 816 N 0.26 0.60 -0.60 0.20 2.02 -1.46 -2.42 112.91 111.51 2gj4 h THR 816 Ca 0.08 0.00 -0.06 0.00 0.77 0.00 0.00 66.41 67.20 2gj4 h THR 816 Cb 0.22 0.60 -0.03 0.00 -1.74 0.00 0.00 68.15 67.20 2gj4 h THR 816 CO -0.00 0.00 0.12 0.40 0.37 0.00 0.00 175.52 176.40 2gj4 h ILE 817 N -0.30 1.25 -0.83 3.11 1.08 -1.08 -1.49 117.51 119.25 2gj4 h ILE 817 Ca 0.04 -0.93 0.05 0.00 -0.39 0.00 0.00 64.86 63.63 2gj4 h ILE 817 Cb 0.35 0.66 -0.05 0.00 -3.07 0.00 0.00 36.82 34.71 2gj4 h ILE 817 CO -0.13 0.35 0.54 0.00 -0.69 0.00 0.00 178.15 178.22 2gj4 h ALA 818 N 1.22 1.53 -0.09 1.87 0.00 -1.08 -0.08 119.26 122.63 2gj4 h ALA 818 Ca 0.19 -0.03 -0.02 0.00 0.00 0.00 0.00 54.91 55.05 2gj4 h ALA 818 Cb 0.37 -0.27 -0.00 0.00 0.00 0.00 0.00 17.79 17.89 2gj4 h ALA 818 CO 0.00 0.36 -0.03 1.96 0.00 0.00 0.00 179.25 181.55 2gj4 h GLN 819 N 0.98 0.18 -0.54 0.00 4.20 -0.85 -1.78 115.11 117.30 2gj4 h GLN 819 Ca 0.34 -0.07 0.10 0.00 0.06 0.00 0.00 58.65 59.08 2gj4 h GLN 819 Cb 0.12 -0.01 -0.08 0.00 0.30 0.00 0.00 27.48 27.81 2gj4 h GLN 819 CO -0.11 0.51 0.08 1.88 -0.67 0.00 0.00 178.83 180.52 2gj4 h TYR 820 N -0.16 0.12 -0.23 2.96 -1.99 -0.97 0.08 116.97 116.79 2gj4 h TYR 820 Ca 0.02 0.03 -0.01 0.00 2.00 0.00 0.00 58.73 60.78 2gj4 h TYR 820 Cb 0.45 0.03 -0.01 0.00 2.00 0.00 0.00 36.73 39.20 2gj4 h TYR 820 CO 0.06 -0.05 0.12 0.00 -0.00 0.00 0.00 178.16 178.29 2gj4 h ALA 821 N 1.44 0.29 0.16 3.88 0.00 -0.91 -0.75 119.26 123.37 2gj4 h ALA 821 Ca 0.27 -0.08 -0.29 0.00 0.00 0.00 0.00 54.91 54.82 2gj4 h ALA 821 Cb 0.40 -0.09 0.02 0.00 0.00 0.00 0.00 17.79 18.11 2gj4 h ALA 821 CO -0.38 -0.16 -1.29 0.00 0.00 0.00 0.00 179.25 177.42 2gj4 h ARG 822 N 0.25 0.37 0.00 0.00 3.08 -1.25 0.14 114.38 116.96 2gj4 h ARG 822 Ca 0.08 -0.61 0.00 0.00 0.07 0.00 0.00 59.98 59.52 2gj4 h ARG 822 Cb 0.10 0.22 0.00 0.00 0.08 0.00 0.00 29.97 30.37 2gj4 h ARG 822 CO -0.01 1.28 -1.46 0.39 -1.07 0.00 0.00 179.97 179.10 2gj4 n GLU 823 N -3.61 0.43 0.02 0.04 1.02 0.01 -4.45 120.64 114.10 2gj4 n GLU 823 Ca -0.11 -0.08 0.00 0.00 -0.02 0.00 0.00 57.16 56.95 2gj4 n GLU 823 Cb 1.03 -1.56 0.00 0.00 -0.02 0.00 0.00 31.44 30.89 2gj4 n GLU 823 CO 0.00 0.00 0.00 -0.89 1.18 0.00 0.00 177.13 177.42 2gj4 n ILE 824 N -2.06 0.35 0.19 -3.67 5.41 -0.39 -4.89 119.36 114.29 2gj4 n ILE 824 Ca -0.01 0.12 0.10 0.00 1.00 0.00 0.00 62.75 63.96 2gj4 n ILE 824 Cb 0.49 -1.35 0.12 0.00 -0.71 0.00 0.00 39.64 38.18 2gj4 n ILE 824 CO 0.00 0.00 0.00 -0.50 0.00 0.00 0.00 176.55 176.05 2gj4 h TRP 825 N 0.00 0.00 -2.90 1.39 6.55 -1.28 -3.48 115.95 116.22 2gj4 h TRP 825 Ca 0.00 0.00 -0.18 0.00 0.95 0.00 0.00 58.89 59.66 2gj4 h TRP 825 Cb 0.54 0.00 0.05 0.00 -0.86 0.00 0.00 29.16 28.90 2gj4 h TRP 825 CO 0.00 0.10 -0.29 0.41 -1.05 0.00 0.00 178.44 177.60 2gj4 n GLY 826 N 1.14 0.25 3.26 1.49 0.00 0.27 -4.96 105.19 106.64 2gj4 n GLY 826 Ca 0.03 -0.29 -0.20 0.00 0.00 0.00 0.00 46.02 45.55 2gj4 n GLY 826 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2gj4 s VAL 827 N -3.05 1.48 -0.24 1.61 -7.23 -0.01 -5.00 120.40 107.95 2gj4 s VAL 827 Ca 0.23 -1.64 -0.08 0.00 -1.81 0.00 0.00 61.98 58.67 2gj4 s VAL 827 Cb -0.10 -1.51 -0.04 0.00 0.56 0.00 0.00 36.38 35.29 2gj4 s VAL 827 CO 0.28 -0.28 0.10 -0.70 -0.31 0.00 0.00 175.10 174.19 2gj4 s GLU 828 N -2.35 3.82 0.76 4.82 2.56 -1.26 -3.34 118.70 123.71 2gj4 s GLU 828 Ca 0.08 -0.40 -0.11 0.00 0.00 0.00 0.00 54.97 54.54 2gj4 s GLU 828 Cb -0.07 -3.39 0.05 0.00 2.00 0.00 0.00 34.13 32.72 2gj4 s GLU 828 CO 0.04 -0.08 1.10 -2.14 -0.56 0.00 0.00 175.26 173.62 2gj4 s PRO 829 N 1.36 2.29 -0.17 4.30 0.02 -1.26 -4.97 135.00 136.56 2gj4 s PRO 829 Ca 0.06 1.21 -0.09 0.00 0.02 0.00 0.00 61.00 62.19 2gj4 s PRO 829 Cb -0.15 -1.90 0.06 0.00 0.02 0.00 0.00 34.50 32.54 2gj4 s PRO 829 CO 0.05 -1.63 0.41 0.45 -0.33 0.00 0.00 177.00 175.95 2gj4 s SER 830 N -3.28 -0.49 -0.03 2.53 0.15 -0.02 -5.03 113.70 107.54 2gj4 s SER 830 Ca 0.62 0.89 0.20 0.00 0.70 0.00 0.00 55.95 58.36 2gj4 s SER 830 Cb -0.18 0.81 0.62 0.00 -1.71 0.00 0.00 66.02 65.56 2gj4 s SER 830 CO 0.54 -0.20 1.51 0.54 1.20 0.00 0.00 173.24 176.84 2gj4 n ARG 831 N 4.36 2.83 -1.90 5.44 1.74 -1.26 -2.56 116.66 125.30 2gj4 n ARG 831 Ca -0.22 -2.48 -0.41 0.00 -0.77 0.00 0.00 57.85 53.97 2gj4 n ARG 831 Cb 0.55 -1.62 -0.01 0.00 -1.02 0.00 0.00 32.46 30.36 2gj4 n ARG 831 CO 0.00 0.00 0.00 -0.65 -1.52 0.00 0.00 177.63 175.46 2gj4 s GLN 832 N -1.31 4.19 0.33 5.56 -0.21 -1.26 -4.93 119.66 122.03 2gj4 s GLN 832 Ca 0.46 2.45 -0.16 0.00 0.02 0.00 0.00 55.36 58.13 2gj4 s GLN 832 Cb 0.25 -3.01 -0.09 0.00 1.00 0.00 0.00 33.01 31.16 2gj4 s GLN 832 CO 0.28 -0.43 0.76 -0.98 -2.12 0.00 0.00 175.29 172.81 2gj4 s ARG 833 N -1.81 4.06 0.48 2.91 1.70 -1.26 -4.94 118.95 120.09 2gj4 s ARG 833 Ca 0.53 0.75 -0.14 0.00 -0.47 0.00 0.00 55.73 56.40 2gj4 s ARG 833 Cb -0.44 -2.44 -0.07 0.00 -0.57 0.00 0.00 34.95 31.43 2gj4 s ARG 833 CO 0.58 0.15 0.91 -0.51 -1.08 0.00 0.00 175.30 175.35 2gj4 s LEU 834 N -2.92 3.67 0.00 -1.89 1.43 -0.38 -5.02 118.68 113.58 2gj4 s LEU 834 Ca 0.54 1.40 0.00 0.00 -1.03 0.00 0.00 54.13 55.05 2gj4 s LEU 834 Cb -0.11 -4.33 0.00 0.00 0.03 0.00 0.00 46.19 41.79 2gj4 s LEU 834 CO 0.17 -0.54 0.27 -2.65 0.23 0.00 0.00 176.35 173.83