#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ceh h VAL 24 N 0.00 0.77 -0.41 3.53 2.07 -2.00 -2.15 116.25 118.07 3ceh h VAL 24 Ca 0.00 0.00 -0.07 0.00 0.82 0.00 0.00 66.70 67.45 3ceh h VAL 24 Cb 0.00 0.77 -0.02 0.00 -1.52 0.00 0.00 31.29 30.52 3ceh h VAL 24 CO 0.00 0.00 -0.05 0.00 0.02 0.00 0.00 177.57 177.54 3ceh h ALA 25 N 1.05 1.16 -0.21 1.67 0.00 -1.99 -1.05 119.26 119.89 3ceh h ALA 25 Ca 0.08 -0.26 -0.19 0.00 0.00 0.00 0.00 54.91 54.53 3ceh h ALA 25 Cb 0.18 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 17.80 3ceh h ALA 25 CO -0.17 0.54 -0.60 0.93 0.00 0.00 0.00 179.25 179.95 3ceh h GLU 26 N 0.63 0.77 -0.64 0.00 4.39 -1.94 -0.59 114.58 117.20 3ceh h GLU 26 Ca 0.12 -0.55 -0.00 0.00 0.34 0.00 0.00 59.36 59.27 3ceh h GLU 26 Cb 0.47 0.09 -0.03 0.00 -0.10 0.00 0.00 28.75 29.17 3ceh h GLU 26 CO 0.02 1.17 0.40 -0.07 -1.16 0.00 0.00 179.01 179.38 3ceh h LEU 27 N 0.51 0.76 -0.43 1.33 3.38 -0.97 0.16 115.31 120.04 3ceh h LEU 27 Ca -0.02 -0.03 -0.08 0.00 0.09 0.00 0.00 57.88 57.84 3ceh h LEU 27 Cb 1.22 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 41.77 3ceh h LEU 27 CO 0.13 0.57 -0.04 0.11 0.09 0.00 0.00 178.44 179.30 3ceh h LYS 28 N 0.88 0.79 -0.09 1.13 1.57 -1.11 0.47 116.57 120.21 3ceh h LYS 28 Ca 0.23 -0.28 -0.08 0.00 -1.87 0.00 0.00 60.65 58.65 3ceh h LYS 28 Cb -0.06 -0.06 -0.01 0.00 0.08 0.00 0.00 32.23 32.18 3ceh h LYS 28 CO -0.05 0.88 -0.33 0.87 -0.57 0.00 0.00 179.45 180.26 3ceh h LYS 29 N 0.63 0.17 -0.10 3.15 1.57 -0.16 -2.43 116.57 119.40 3ceh h LYS 29 Ca 0.12 -0.07 -0.05 0.00 -1.87 0.00 0.00 60.65 58.79 3ceh h LYS 29 Cb 0.56 -0.01 -0.00 0.00 0.08 0.00 0.00 32.23 32.85 3ceh h LYS 29 CO 0.03 0.49 -0.11 0.77 -0.57 0.00 0.00 179.45 180.06 3ceh h SER 30 N 0.15 0.28 -0.26 0.86 0.02 -0.40 -2.30 113.55 111.89 3ceh h SER 30 Ca 0.02 -0.49 0.05 0.00 -0.84 0.00 0.00 61.79 60.52 3ceh h SER 30 Cb 0.66 -0.08 -0.07 0.00 0.14 0.00 0.00 62.40 63.05 3ceh h SER 30 CO 0.05 0.71 -0.51 0.15 -1.14 0.00 0.00 176.83 176.09 3ceh h PHE 31 N -0.15 -1.52 -0.73 3.45 3.04 -0.85 -0.30 116.94 119.88 3ceh h PHE 31 Ca 0.02 0.07 0.06 0.00 3.98 0.00 0.00 57.97 62.09 3ceh h PHE 31 Cb 0.64 0.70 -0.04 0.00 2.56 0.00 0.00 35.95 39.80 3ceh h PHE 31 CO 0.09 -0.50 0.48 -0.91 -2.02 0.00 0.00 178.31 175.45 3ceh h ASN 32 N -0.47 0.69 -0.77 0.41 -0.26 -1.43 0.48 115.58 114.23 3ceh h ASN 32 Ca 0.07 0.00 -0.04 0.00 -0.56 0.00 0.00 56.30 55.77 3ceh h ASN 32 Cb 0.63 -0.15 -0.03 0.00 -1.06 0.00 0.00 38.32 37.71 3ceh h ASN 32 CO -0.50 0.45 0.32 0.03 -1.06 0.00 0.00 177.43 176.67 3ceh h ARG 33 N 0.79 1.15 -0.14 0.81 3.08 -0.70 0.12 114.38 119.49 3ceh h ARG 33 Ca 0.31 -0.20 -0.15 0.00 0.07 0.00 0.00 59.98 60.00 3ceh h ARG 33 Cb 0.21 -0.19 0.01 0.00 0.08 0.00 0.00 29.97 30.08 3ceh h ARG 33 CO -0.10 0.93 -0.51 0.45 -1.07 0.00 0.00 179.97 179.66 3ceh h HIS 34 N 1.11 0.80 -1.01 3.04 3.86 -0.08 0.29 115.15 123.16 3ceh h HIS 34 Ca 0.26 -0.33 0.07 0.00 -1.16 0.00 0.00 60.37 59.20 3ceh h HIS 34 Cb 0.20 -0.13 -0.07 0.00 1.06 0.00 0.00 27.41 28.47 3ceh h HIS 34 CO 0.02 1.11 0.65 1.25 0.86 0.00 0.00 177.93 181.82 3ceh h LEU 35 N 0.25 1.04 0.28 2.43 5.85 -0.81 0.47 115.31 124.82 3ceh h LEU 35 Ca -0.02 0.01 -0.01 0.00 0.84 0.00 0.00 57.88 58.69 3ceh h LEU 35 Cb 1.14 -0.21 0.00 0.00 0.37 0.00 0.00 40.66 41.96 3ceh h LEU 35 CO 0.11 0.67 -0.13 -0.74 -0.34 0.00 0.00 178.44 178.00 3ceh h HIS 36 N 1.18 -0.35 0.09 1.25 2.76 -0.42 -0.97 115.15 118.69 3ceh h HIS 36 Ca 0.43 -0.01 -0.31 0.00 -2.20 0.00 0.00 60.37 58.29 3ceh h HIS 36 Cb 0.17 0.12 -0.02 0.00 1.55 0.00 0.00 27.41 29.23 3ceh h HIS 36 CO -0.00 -0.12 -1.59 0.74 -1.30 0.00 0.00 177.93 175.66 3ceh h PHE 37 N -1.05 0.36 0.00 5.26 0.04 -0.40 -1.38 116.94 119.76 3ceh h PHE 37 Ca -0.04 -0.26 -0.17 0.00 2.80 0.00 0.00 57.97 60.30 3ceh h PHE 37 Cb 0.39 -0.01 -0.03 0.00 2.20 0.00 0.00 35.95 38.49 3ceh h PHE 37 CO 0.02 1.35 -1.31 1.15 -0.60 0.00 0.00 178.31 178.93 3ceh h THR 38 N 0.05 0.62 0.00 -1.55 2.02 -0.26 -3.37 112.91 110.43 3ceh h THR 38 Ca -0.26 -2.14 0.00 0.00 0.77 0.00 0.00 66.41 64.78 3ceh h THR 38 Cb 2.01 2.15 0.00 0.00 -1.74 0.00 0.00 68.15 70.56 3ceh h THR 38 CO 0.14 0.35 -0.40 0.18 0.37 0.00 0.00 175.52 176.16 3ceh n LEU 39 N -2.97 0.38 -3.87 2.58 7.99 -0.49 -5.01 117.00 115.62 3ceh n LEU 39 Ca -0.08 -0.49 -0.29 0.00 -0.01 0.00 0.00 56.01 55.13 3ceh n LEU 39 Cb 0.85 0.00 0.03 0.00 -0.11 0.00 0.00 43.42 44.19 3ceh n LEU 39 CO 0.43 0.10 0.13 0.52 -1.51 0.00 0.00 177.39 177.05 3ceh n VAL 40 N -1.20 -2.22 -4.46 4.08 0.31 -0.52 -4.97 118.33 109.36 3ceh n VAL 40 Ca 0.02 -0.02 -0.21 0.00 -0.01 0.00 0.00 64.34 64.12 3ceh n VAL 40 Cb 0.13 -3.02 -0.14 0.00 -0.91 0.00 0.00 33.84 29.90 3ceh n VAL 40 CO 0.00 0.00 0.00 -0.54 -1.32 0.00 0.00 176.83 174.97 3ceh s LYS 41 N -6.57 1.04 0.19 5.55 -0.14 -0.39 -5.02 119.74 114.41 3ceh s LYS 41 Ca 0.64 -0.72 0.09 0.00 -1.36 0.00 0.00 55.97 54.62 3ceh s LYS 41 Cb -0.32 -1.05 -0.04 0.00 -1.68 0.00 0.00 37.83 34.74 3ceh s LYS 41 CO 0.82 0.27 -0.09 0.16 -0.76 0.00 0.00 175.35 175.74 3ceh s ASP 42 N -0.95 4.23 0.44 2.83 1.47 -1.26 -3.77 116.67 119.66 3ceh s ASP 42 Ca 0.03 -0.61 0.31 0.00 1.18 0.00 0.00 52.55 53.46 3ceh s ASP 42 Cb -0.07 -0.70 1.45 0.00 -0.34 0.00 0.00 42.92 43.26 3ceh s ASP 42 CO 0.01 0.09 1.61 0.03 0.68 0.00 0.00 175.17 177.59 3ceh h ARG 43 N 2.78 0.06 -1.17 2.11 2.47 -1.97 -0.71 114.38 117.94 3ceh h ARG 43 Ca -0.46 -0.00 0.33 0.00 -1.26 0.00 0.00 59.98 58.59 3ceh h ARG 43 Cb 1.21 -0.01 -0.08 0.00 -1.65 0.00 0.00 29.97 29.44 3ceh h ARG 43 CO 0.55 0.04 0.79 -0.91 0.56 0.00 0.00 179.97 181.00 3ceh h ASN 44 N 0.06 0.24 0.00 7.04 2.35 -2.05 -2.95 115.58 120.27 3ceh h ASN 44 Ca 0.84 0.06 -0.03 0.00 -0.55 0.00 0.00 56.30 56.62 3ceh h ASN 44 Cb 2.67 0.03 -0.07 0.00 0.05 0.00 0.00 38.32 40.99 3ceh h ASN 44 CO -0.43 0.01 -0.58 1.33 -1.65 0.00 0.00 177.43 176.12 3ceh n VAL 45 N -4.45 0.11 -2.30 2.81 0.24 -0.28 -5.07 118.33 109.39 3ceh n VAL 45 Ca 0.28 -0.33 -0.42 0.00 -2.04 0.00 0.00 64.34 61.83 3ceh n VAL 45 Cb 1.14 0.55 -0.03 0.00 -1.47 0.00 0.00 33.84 34.03 3ceh n VAL 45 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3ceh s ALA 46 N -0.17 3.51 0.72 2.33 0.00 -1.12 -4.94 121.76 122.10 3ceh s ALA 46 Ca 0.08 0.88 -0.11 0.00 0.00 0.00 0.00 51.96 52.82 3ceh s ALA 46 Cb 0.09 -3.53 0.03 0.00 0.00 0.00 0.00 23.12 19.71 3ceh s ALA 46 CO -0.03 -0.69 1.10 0.95 0.00 0.00 0.00 175.76 177.09 3ceh s THR 47 N 1.71 3.19 0.30 0.00 -4.23 -1.26 -4.93 115.64 110.42 3ceh s THR 47 Ca 0.61 0.34 0.01 0.00 -1.18 0.00 0.00 61.69 61.47 3ceh s THR 47 Cb -0.31 -3.37 0.16 0.00 1.34 0.00 0.00 72.50 70.31 3ceh s THR 47 CO 0.27 -0.48 1.85 0.74 -0.54 0.00 0.00 174.62 176.46 3ceh h THR 48 N -0.70 1.21 -0.71 3.99 2.02 -1.99 -0.06 112.91 116.67 3ceh h THR 48 Ca -0.45 -0.79 -0.01 0.00 0.77 0.00 0.00 66.41 65.93 3ceh h THR 48 Cb 1.27 0.78 -0.03 0.00 -1.74 0.00 0.00 68.15 68.43 3ceh h THR 48 CO 0.64 0.29 0.41 -0.09 0.37 0.00 0.00 175.52 177.13 3ceh h ARG 49 N 0.68 0.98 -0.27 6.66 2.43 -1.95 -0.08 114.38 122.83 3ceh h ARG 49 Ca 0.15 -0.10 0.05 0.00 -0.81 0.00 0.00 59.98 59.27 3ceh h ARG 49 Cb 0.30 -0.20 -0.05 0.00 -0.42 0.00 0.00 29.97 29.60 3ceh h ARG 49 CO 0.00 0.72 -0.05 -0.44 -1.51 0.00 0.00 179.97 178.69 3ceh h ASP 50 N 0.98 -0.22 -0.08 -3.80 3.32 -1.40 -1.02 116.42 114.19 3ceh h ASP 50 Ca 0.25 0.08 0.02 0.00 0.02 0.00 0.00 57.03 57.40 3ceh h ASP 50 Cb 0.01 0.16 -0.03 0.00 0.22 0.00 0.00 39.33 39.69 3ceh h ASP 50 CO -0.04 -0.08 -0.07 1.88 -1.72 0.00 0.00 179.24 179.21 3ceh h TYR 51 N 0.02 -0.16 0.00 4.55 0.05 -1.03 -0.65 116.97 119.75 3ceh h TYR 51 Ca 0.13 0.01 0.03 0.00 0.05 0.00 0.00 58.73 58.95 3ceh h TYR 51 Cb 0.19 0.09 -0.06 0.00 1.01 0.00 0.00 36.73 37.96 3ceh h TYR 51 CO -0.25 -0.11 -0.48 -0.92 -1.05 0.00 0.00 178.16 175.35 3ceh h TYR 52 N -0.08 -1.38 -0.70 4.88 3.20 -0.37 -0.59 116.97 121.93 3ceh h TYR 52 Ca 0.06 0.04 0.14 0.00 3.14 0.00 0.00 58.73 62.11 3ceh h TYR 52 Cb 0.16 0.60 -0.13 0.00 1.54 0.00 0.00 36.73 38.90 3ceh h TYR 52 CO -0.17 -0.54 -0.15 0.74 -1.64 0.00 0.00 178.16 176.40 3ceh h PHE 53 N -0.63 -0.32 -0.62 -3.82 0.04 -1.15 0.74 116.94 111.18 3ceh h PHE 53 Ca 0.03 0.06 0.00 0.00 2.80 0.00 0.00 57.97 60.87 3ceh h PHE 53 Cb 0.69 0.25 -0.03 0.00 2.20 0.00 0.00 35.95 39.07 3ceh h PHE 53 CO -0.47 -0.29 0.40 0.00 -0.60 0.00 0.00 178.31 177.35 3ceh h ALA 54 N 1.70 0.79 -0.44 2.45 0.00 0.24 -0.67 119.26 123.33 3ceh h ALA 54 Ca 0.35 -0.05 -0.14 0.00 0.00 0.00 0.00 54.91 55.07 3ceh h ALA 54 Cb 0.54 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 18.07 3ceh h ALA 54 CO -0.71 0.24 -0.25 1.25 0.00 0.00 0.00 179.25 179.77 3ceh h LEU 55 N 0.84 0.98 0.14 0.00 5.85 -0.32 -1.85 115.31 120.95 3ceh h LEU 55 Ca 0.23 -0.42 0.02 0.00 0.84 0.00 0.00 57.88 58.55 3ceh h LEU 55 Cb -0.07 -0.27 -0.04 0.00 0.37 0.00 0.00 40.66 40.65 3ceh h LEU 55 CO -0.05 1.18 -0.31 0.00 -0.34 0.00 0.00 178.44 178.93 3ceh h ALA 56 N 0.83 -0.54 -0.61 1.25 0.00 -0.42 0.72 119.26 120.49 3ceh h ALA 56 Ca 0.09 -0.05 0.09 0.00 0.00 0.00 0.00 54.91 55.04 3ceh h ALA 56 Cb 0.84 0.50 -0.07 0.00 0.00 0.00 0.00 17.79 19.05 3ceh h ALA 56 CO 0.07 -0.86 0.23 0.45 0.00 0.00 0.00 179.25 179.15 3ceh h HIS 57 N -0.54 0.41 -0.24 0.00 3.86 -1.11 0.66 115.15 118.19 3ceh h HIS 57 Ca 0.03 0.03 0.04 0.00 -1.16 0.00 0.00 60.37 59.31 3ceh h HIS 57 Cb 0.56 -0.09 -0.04 0.00 1.06 0.00 0.00 27.41 28.90 3ceh h HIS 57 CO -0.27 0.11 -0.01 1.15 0.86 0.00 0.00 177.93 179.77 3ceh h THR 58 N 0.42 0.81 -0.29 2.45 2.02 -1.00 -0.48 112.91 116.84 3ceh h THR 58 Ca 0.30 -0.02 -0.07 0.00 0.77 0.00 0.00 66.41 67.39 3ceh h THR 58 Cb 0.37 0.75 -0.01 0.00 -1.74 0.00 0.00 68.15 67.52 3ceh h THR 58 CO -0.30 0.01 -0.09 0.58 0.37 0.00 0.00 175.52 176.09 3ceh h VAL 59 N 0.06 1.29 -0.33 3.16 2.07 0.01 -3.09 116.25 119.42 3ceh h VAL 59 Ca 0.11 -1.15 0.00 0.00 0.82 0.00 0.00 66.70 66.49 3ceh h VAL 59 Cb 0.15 1.43 -0.02 0.00 -1.52 0.00 0.00 31.29 31.34 3ceh h VAL 59 CO -0.21 0.37 0.22 -0.09 0.02 0.00 0.00 177.57 177.88 3ceh h ARG 60 N 0.33 0.43 -0.06 1.57 2.43 0.42 -1.13 114.38 118.36 3ceh h ARG 60 Ca 0.07 -0.03 -0.03 0.00 -0.81 0.00 0.00 59.98 59.19 3ceh h ARG 60 Cb 0.59 -0.10 -0.01 0.00 -0.42 0.00 0.00 29.97 30.04 3ceh h ARG 60 CO 0.03 0.28 -0.08 -0.44 -1.51 0.00 0.00 179.97 178.25 3ceh h ASP 61 N 0.44 0.08 0.00 -3.80 3.32 -1.00 -2.33 116.42 113.14 3ceh h ASP 61 Ca 0.12 -0.01 0.00 0.00 0.02 0.00 0.00 57.03 57.16 3ceh h ASP 61 Cb -0.05 -0.02 0.00 0.00 0.22 0.00 0.00 39.33 39.48 3ceh h ASP 61 CO -0.03 0.18 0.00 1.41 -1.72 0.00 0.00 179.24 179.09 3ceh n HIS 62 N -4.39 0.00 0.10 4.55 8.25 -0.43 -3.17 115.22 120.13 3ceh n HIS 62 Ca -0.02 0.00 0.01 0.00 -0.26 0.00 0.00 57.72 57.45 3ceh n HIS 62 Cb 0.19 0.00 0.01 0.00 1.12 0.00 0.00 29.99 31.31 3ceh n HIS 62 CO 0.00 0.00 0.00 1.47 0.64 0.00 0.00 176.34 178.45 3ceh n LEU 63 N -0.88 1.02 0.05 2.41 -0.00 -0.88 -4.84 117.00 113.89 3ceh n LEU 63 Ca 0.15 -0.92 -0.12 0.00 -0.00 0.00 0.00 56.01 55.12 3ceh n LEU 63 Cb 0.07 0.00 -0.06 0.00 -0.00 0.00 0.00 43.42 43.42 3ceh n LEU 63 CO 0.11 0.24 0.84 0.58 -0.00 0.00 0.00 177.39 179.15 3ceh h VAL 64 N 0.38 0.89 0.07 1.47 2.07 -1.61 0.11 116.25 119.63 3ceh h VAL 64 Ca 0.00 0.00 0.02 0.00 0.82 0.00 0.00 66.70 67.54 3ceh h VAL 64 Cb 0.09 0.89 -0.03 0.00 -1.52 0.00 0.00 31.29 30.72 3ceh h VAL 64 CO 0.00 0.00 -0.17 1.23 0.02 0.00 0.00 177.57 178.65 3ceh h GLY 65 N -0.09 -0.27 1.43 2.17 0.00 -1.88 0.16 103.07 104.58 3ceh h GLY 65 Ca 0.01 0.19 -0.00 0.00 0.00 0.00 0.00 47.33 47.53 3ceh h GLY 65 CO -0.03 -0.16 0.34 3.21 0.00 0.00 0.00 176.54 179.89 3ceh h ARG 66 N -0.31 0.76 0.09 4.80 3.08 -1.85 0.16 114.38 121.11 3ceh h ARG 66 Ca 0.03 -0.06 -0.00 0.00 0.07 0.00 0.00 59.98 60.02 3ceh h ARG 66 Cb 0.34 -0.16 0.00 0.00 0.08 0.00 0.00 29.97 30.23 3ceh h ARG 66 CO -0.11 0.54 -0.05 2.35 -1.07 0.00 0.00 179.97 181.63 3ceh h TRP 67 N 0.77 -0.12 0.60 3.04 7.01 0.44 0.87 115.95 128.57 3ceh h TRP 67 Ca 0.20 -0.00 -0.03 0.00 2.11 0.00 0.00 58.89 61.17 3ceh h TRP 67 Cb -0.02 0.04 0.01 0.00 -2.10 0.00 0.00 29.16 27.08 3ceh h TRP 67 CO 0.00 0.02 -0.29 0.82 -2.79 0.00 0.00 178.44 176.20 3ceh h ILE 68 N -0.23 0.40 -0.97 2.65 2.04 -0.50 -2.68 117.51 118.22 3ceh h ILE 68 Ca -0.01 0.00 0.14 0.00 1.00 0.00 0.00 64.86 65.98 3ceh h ILE 68 Cb 0.19 0.40 -0.08 0.00 -0.74 0.00 0.00 36.82 36.59 3ceh h ILE 68 CO 0.02 0.00 0.61 0.03 0.00 0.00 0.00 178.15 178.82 3ceh h ARG 69 N -0.82 0.85 0.45 2.37 3.08 -0.64 0.63 114.38 120.29 3ceh h ARG 69 Ca -0.08 -0.05 -0.02 0.00 0.07 0.00 0.00 59.98 59.89 3ceh h ARG 69 Cb 0.63 -0.19 0.00 0.00 0.08 0.00 0.00 29.97 30.49 3ceh h ARG 69 CO 0.13 0.56 -0.21 1.15 -1.07 0.00 0.00 179.97 180.53 3ceh h THR 70 N 0.87 0.56 -0.32 2.04 2.02 -0.77 0.17 112.91 117.49 3ceh h THR 70 Ca 0.50 -0.06 -0.10 0.00 0.77 0.00 0.00 66.41 67.51 3ceh h THR 70 Cb 0.62 0.59 -0.01 0.00 -1.74 0.00 0.00 68.15 67.61 3ceh h THR 70 CO -0.26 0.01 -0.22 1.56 0.37 0.00 0.00 175.52 176.98 3ceh h GLN 71 N -0.63 0.60 -0.01 6.66 1.08 -1.01 -1.66 115.11 120.13 3ceh h GLN 71 Ca -0.06 -0.22 0.00 0.00 -1.45 0.00 0.00 58.65 56.91 3ceh h GLN 71 Cb 0.48 -0.04 -0.00 0.00 -0.05 0.00 0.00 27.48 27.87 3ceh h GLN 71 CO 0.10 0.78 0.00 0.37 -0.95 0.00 0.00 178.83 179.13 3ceh h GLN 72 N 0.53 0.01 -1.01 1.46 4.15 0.34 -2.50 115.11 118.09 3ceh h GLN 72 Ca 0.08 -0.00 0.13 0.00 0.77 0.00 0.00 58.65 59.63 3ceh h GLN 72 Cb 0.67 -0.00 -0.09 0.00 0.21 0.00 0.00 27.48 28.27 3ceh h GLN 72 CO 0.05 0.01 0.63 1.25 -1.93 0.00 0.00 178.83 178.85 3ceh h HIS 73 N 0.00 1.14 -0.87 3.99 2.76 -0.27 -0.31 115.15 121.60 3ceh h HIS 73 Ca 0.00 0.03 -0.00 0.00 -2.20 0.00 0.00 60.37 58.20 3ceh h HIS 73 Cb 0.01 -0.36 -0.04 0.00 1.55 0.00 0.00 27.41 28.56 3ceh h HIS 73 CO -0.08 0.44 0.53 1.88 -1.30 0.00 0.00 177.93 179.40 3ceh h TYR 74 N 0.98 1.14 -0.21 5.26 0.05 -1.07 0.57 116.97 123.70 3ceh h TYR 74 Ca 0.51 -0.00 -0.16 0.00 0.05 0.00 0.00 58.73 59.13 3ceh h TYR 74 Cb 0.53 -0.38 0.00 0.00 1.01 0.00 0.00 36.73 37.89 3ceh h TYR 74 CO -0.00 0.76 -0.50 -0.92 -1.05 0.00 0.00 178.16 176.45 3ceh h TYR 75 N 1.19 0.90 0.00 4.88 3.20 -0.91 -0.37 116.97 125.86 3ceh h TYR 75 Ca 0.31 -0.34 0.00 0.00 3.14 0.00 0.00 58.73 61.84 3ceh h TYR 75 Cb -0.06 -0.16 0.00 0.00 1.54 0.00 0.00 36.73 38.05 3ceh h TYR 75 CO -0.00 1.13 0.00 -3.47 -1.64 0.00 0.00 178.16 174.18 3ceh n ASP 76 N -4.14 0.00 0.00 -2.11 2.03 -0.20 -3.95 116.55 108.17 3ceh n ASP 76 Ca -0.06 0.63 0.10 0.00 0.52 0.00 0.00 54.79 55.99 3ceh n ASP 76 Cb 0.59 -0.13 0.59 0.00 -0.72 0.00 0.00 41.12 41.45 3ceh n ASP 76 CO 0.00 0.00 0.00 0.29 -1.92 0.00 0.00 177.20 175.57 3ceh n LYS 77 N -1.00 0.57 -3.94 -0.67 4.76 0.18 -4.94 118.16 113.11 3ceh n LYS 77 Ca 0.00 0.02 -0.31 0.00 -2.87 0.00 0.00 58.31 55.16 3ceh n LYS 77 Cb 0.00 -1.50 -0.02 0.00 -1.84 0.00 0.00 35.03 31.67 3ceh n LYS 77 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 3ceh s PRO 79 N -6.63 1.87 0.10 0.00 0.04 -1.26 -4.90 135.00 124.22 3ceh s PRO 79 Ca 0.22 1.29 -0.31 0.00 0.04 0.00 0.00 61.00 62.25 3ceh s PRO 79 Cb -0.13 -1.84 -0.09 0.00 0.04 0.00 0.00 34.50 32.48 3ceh s PRO 79 CO 0.73 -1.95 1.65 0.21 0.04 0.00 0.00 177.00 177.68 3ceh s LYS 80 N -4.81 4.19 0.01 4.56 2.20 -1.26 -4.97 119.74 119.65 3ceh s LYS 80 Ca 0.63 2.37 -0.17 0.00 -0.36 0.00 0.00 55.97 58.45 3ceh s LYS 80 Cb -0.19 -3.48 -0.06 0.00 -1.51 0.00 0.00 37.83 32.59 3ceh s LYS 80 CO 0.56 -0.72 0.47 1.03 -0.36 0.00 0.00 175.35 176.34 3ceh s ARG 81 N 2.26 4.06 -0.24 4.03 0.52 -1.01 -4.50 118.95 124.08 3ceh s ARG 81 Ca 0.74 0.52 -0.11 0.00 -0.52 0.00 0.00 55.73 56.36 3ceh s ARG 81 Cb -0.42 -3.26 -0.05 0.00 0.52 0.00 0.00 34.95 31.75 3ceh s ARG 81 CO 0.32 0.60 0.18 0.08 0.02 0.00 0.00 175.30 176.50 3ceh s VAL 82 N -0.84 5.34 -0.36 3.52 1.01 0.09 -1.73 120.40 127.44 3ceh s VAL 82 Ca 0.26 0.21 -0.06 0.00 0.00 0.00 0.00 61.98 62.39 3ceh s VAL 82 Cb -0.17 -3.52 0.05 0.00 0.00 0.00 0.00 36.38 32.74 3ceh s VAL 82 CO 0.15 0.33 0.13 -0.31 0.00 0.00 0.00 175.10 175.40 3ceh s TYR 83 N 1.15 3.30 -0.46 5.22 2.02 0.10 -0.62 117.35 128.06 3ceh s TYR 83 Ca 0.08 -1.59 -0.24 0.00 -0.37 0.00 0.00 57.07 54.95 3ceh s TYR 83 Cb -0.14 -2.48 0.03 0.00 -0.40 0.00 0.00 41.96 38.97 3ceh s TYR 83 CO 0.05 -0.78 0.87 -0.47 -1.57 0.00 0.00 175.55 173.65 3ceh s TYR 84 N 1.36 2.94 -0.20 2.71 5.04 -0.46 -1.93 117.35 126.81 3ceh s TYR 84 Ca -0.00 0.27 -0.06 0.00 -2.44 0.00 0.00 57.07 54.83 3ceh s TYR 84 Cb -0.20 -3.87 -0.03 0.00 0.35 0.00 0.00 41.96 38.21 3ceh s TYR 84 CO 0.02 -1.08 0.03 -1.17 -1.34 0.00 0.00 175.55 172.01 3ceh s LEU 85 N 3.59 3.46 -0.16 6.97 2.96 -0.72 -1.72 118.68 133.06 3ceh s LEU 85 Ca 0.34 -0.11 -0.23 0.00 -0.22 0.00 0.00 54.13 53.91 3ceh s LEU 85 Cb -0.11 -1.88 0.06 0.00 0.50 0.00 0.00 46.19 44.75 3ceh s LEU 85 CO 0.24 0.09 0.58 -0.55 -1.32 0.00 0.00 176.35 175.39 3ceh s SER 86 N 0.88 -0.58 0.00 3.68 0.15 -0.74 -1.72 113.70 115.37 3ceh s SER 86 Ca 0.02 0.95 0.18 0.00 0.70 0.00 0.00 55.95 57.80 3ceh s SER 86 Cb -0.14 0.95 0.70 0.00 -1.71 0.00 0.00 66.02 65.81 3ceh s SER 86 CO 0.02 -0.33 1.50 0.18 1.20 0.00 0.00 173.24 175.81 3ceh n LEU 87 N 2.13 1.41 -3.67 3.45 7.99 -1.26 -4.00 117.00 123.05 3ceh n LEU 87 Ca -0.16 -0.61 -0.10 0.00 -0.01 0.00 0.00 56.01 55.12 3ceh n LEU 87 Cb 0.56 -0.11 -0.11 0.00 -0.11 0.00 0.00 43.42 43.65 3ceh n LEU 87 CO 0.13 0.31 -0.02 -1.61 -1.51 0.00 0.00 177.39 174.69 3ceh s GLU 88 N -1.78 0.28 -0.32 3.23 2.02 -1.26 -4.67 118.70 116.19 3ceh s GLU 88 Ca 0.29 0.92 0.01 0.00 0.02 0.00 0.00 54.97 56.21 3ceh s GLU 88 Cb 0.15 0.18 0.10 0.00 0.10 0.00 0.00 34.13 34.66 3ceh s GLU 88 CO 0.23 -0.25 0.08 -0.06 0.02 0.00 0.00 175.26 175.28 3ceh s PHE 89 N 2.38 2.43 -1.30 1.61 0.40 0.15 -4.59 117.98 119.06 3ceh s PHE 89 Ca -0.02 -2.18 -0.18 0.00 -0.60 0.00 0.00 56.93 53.95 3ceh s PHE 89 Cb -0.12 -2.14 0.08 0.00 0.51 0.00 0.00 43.02 41.36 3ceh s PHE 89 CO -0.11 -0.90 1.73 0.98 0.70 0.00 0.00 175.22 177.61 3ceh n TYR 90 N 4.64 4.67 0.03 0.36 9.36 -0.29 -3.50 117.16 132.44 3ceh n TYR 90 Ca -0.00 -2.88 -0.16 0.00 3.32 0.00 0.00 57.90 58.18 3ceh n TYR 90 Cb 0.42 -2.61 -0.14 0.00 -0.63 0.00 0.00 39.34 36.38 3ceh n TYR 90 CO 0.00 0.00 0.00 0.52 0.22 0.00 0.00 176.86 177.60 3ceh h MET 91 N 7.52 0.20 0.00 2.98 2.86 -1.71 -3.43 114.93 123.34 3ceh h MET 91 Ca 0.44 -0.33 0.00 0.00 -2.06 0.00 0.00 59.70 57.75 3ceh h MET 91 Cb 0.87 0.12 0.00 0.00 0.06 0.00 0.00 31.60 32.65 3ceh h MET 91 CO 1.45 1.00 0.00 0.41 1.06 0.00 0.00 176.91 180.83 3ceh n GLY 92 N 1.74 -0.73 3.80 8.32 0.00 -1.18 -4.84 105.19 112.30 3ceh n GLY 92 Ca -0.21 -1.15 -0.35 0.00 0.00 0.00 0.00 46.02 44.31 3ceh n GLY 92 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3ceh s ARG 93 N 0.00 4.05 -0.22 1.61 0.52 -1.26 -2.16 118.95 121.50 3ceh s ARG 93 Ca 0.00 1.36 0.10 0.00 -0.52 0.00 0.00 55.73 56.67 3ceh s ARG 93 Cb 0.00 -2.30 -0.21 0.00 0.52 0.00 0.00 34.95 32.97 3ceh s ARG 93 CO 0.00 -0.21 -0.06 2.41 0.02 0.00 0.00 175.30 177.46 3ceh n THR 94 N -0.52 1.37 0.00 0.02 -1.04 -1.26 -4.57 114.28 108.28 3ceh n THR 94 Ca 0.07 -0.70 -0.07 0.00 -2.04 0.00 0.00 64.05 61.31 3ceh n THR 94 Cb 0.52 -0.88 -0.04 0.00 -1.82 0.00 0.00 70.33 68.10 3ceh n THR 94 CO 0.00 0.00 0.00 0.25 -0.64 0.00 0.00 175.07 174.68 3ceh h LEU 95 N 0.00 -0.74 -0.46 -4.42 5.85 -1.97 0.78 115.31 114.36 3ceh h LEU 95 Ca -0.54 0.09 0.01 0.00 0.84 0.00 0.00 57.88 58.27 3ceh h LEU 95 Cb 2.05 0.29 -0.02 0.00 0.37 0.00 0.00 40.66 43.34 3ceh h LEU 95 CO -0.02 -0.22 0.30 -0.61 -0.34 0.00 0.00 178.44 177.56 3ceh h GLN 96 N -0.26 0.60 -0.90 1.25 4.15 -1.97 -1.37 115.11 116.61 3ceh h GLN 96 Ca 0.01 -0.04 0.11 0.00 0.77 0.00 0.00 58.65 59.50 3ceh h GLN 96 Cb 0.30 -0.14 -0.07 0.00 0.21 0.00 0.00 27.48 27.79 3ceh h GLN 96 CO -0.18 0.40 0.58 -0.97 -1.93 0.00 0.00 178.83 176.73 3ceh h ASN 97 N 0.62 0.78 -0.24 -0.69 -0.73 -1.71 -1.48 115.58 112.13 3ceh h ASN 97 Ca 0.17 0.03 -0.07 0.00 1.87 0.00 0.00 56.30 58.29 3ceh h ASN 97 Cb -0.07 -0.13 -0.01 0.00 0.27 0.00 0.00 38.32 38.39 3ceh h ASN 97 CO -0.04 0.44 -0.14 0.74 -0.37 0.00 0.00 177.43 178.07 3ceh h THR 98 N 0.85 1.31 -0.13 -3.57 2.02 -0.32 -2.22 112.91 110.85 3ceh h THR 98 Ca 0.43 -1.23 0.03 0.00 0.77 0.00 0.00 66.41 66.40 3ceh h THR 98 Cb 0.47 1.60 -0.03 0.00 -1.74 0.00 0.00 68.15 68.46 3ceh h THR 98 CO -0.19 0.38 -0.04 0.24 0.37 0.00 0.00 175.52 176.28 3ceh h MET 99 N 0.23 -0.02 -0.25 6.66 2.86 -0.75 -2.19 114.93 121.46 3ceh h MET 99 Ca 0.05 0.00 0.05 0.00 -2.06 0.00 0.00 59.70 57.74 3ceh h MET 99 Cb 0.65 0.00 -0.04 0.00 0.06 0.00 0.00 31.60 32.27 3ceh h MET 99 CO 0.04 -0.01 -0.04 0.82 1.06 0.00 0.00 176.91 178.78 3ceh h ILE 100 N -0.02 0.78 0.00 -1.22 2.04 -1.30 0.88 117.51 118.67 3ceh h ILE 100 Ca 0.06 -0.01 0.00 0.00 1.00 0.00 0.00 64.86 65.91 3ceh h ILE 100 Cb 0.12 0.74 0.00 0.00 -0.74 0.00 0.00 36.82 36.94 3ceh h ILE 100 CO -0.14 0.01 0.00 0.59 0.00 0.00 0.00 178.15 178.61 3ceh n ASN 101 N -5.19 0.00 -1.08 1.72 4.13 -0.84 -1.76 115.26 112.23 3ceh n ASN 101 Ca -0.01 0.29 0.11 0.00 1.68 0.00 0.00 54.58 56.65 3ceh n ASN 101 Cb 0.14 -0.41 0.20 0.00 -1.54 0.00 0.00 39.78 38.18 3ceh n ASN 101 CO 0.00 0.00 0.00 0.18 0.28 0.00 0.00 177.26 177.72 3ceh n LEU 102 N -1.41 3.35 -2.41 3.41 4.32 -0.33 -2.24 117.00 121.70 3ceh n LEU 102 Ca 0.07 -1.51 -0.18 0.00 -0.02 0.00 0.00 56.01 54.36 3ceh n LEU 102 Cb 0.20 -0.24 -0.01 0.00 -1.62 0.00 0.00 43.42 41.75 3ceh n LEU 102 CO 0.17 0.73 -0.24 0.61 -1.22 0.00 0.00 177.39 177.44 3ceh n GLY 103 N 1.38 -0.48 0.01 -0.72 0.00 -0.72 -4.91 105.19 99.74 3ceh n GLY 103 Ca 0.18 0.00 0.06 0.00 0.00 0.00 0.00 46.02 46.26 3ceh n GLY 103 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3ceh n LEU 104 N -2.95 0.66 0.09 0.99 4.77 0.15 -4.72 117.00 115.99 3ceh n LEU 104 Ca -0.22 -0.51 -0.12 0.00 -0.03 0.00 0.00 56.01 55.13 3ceh n LEU 104 Cb 0.67 0.00 -0.05 0.00 -2.33 0.00 0.00 43.42 41.70 3ceh n LEU 104 CO 0.26 0.16 0.73 -0.61 -1.33 0.00 0.00 177.39 176.60 3ceh h GLN 105 N 0.03 -0.36 -0.50 3.23 4.15 -1.87 -0.45 115.11 119.36 3ceh h GLN 105 Ca 0.00 0.02 0.04 0.00 0.77 0.00 0.00 58.65 59.48 3ceh h GLN 105 Cb 0.32 0.08 -0.04 0.00 0.21 0.00 0.00 27.48 28.05 3ceh h GLN 105 CO 0.00 -0.24 0.26 -0.91 -1.93 0.00 0.00 178.83 176.01 3ceh h ASN 106 N -0.37 0.39 -0.26 -0.69 4.21 -1.93 0.23 115.58 117.15 3ceh h ASN 106 Ca 0.03 0.02 -0.04 0.00 1.21 0.00 0.00 56.30 57.53 3ceh h ASN 106 Cb 0.41 -0.05 -0.02 0.00 -1.12 0.00 0.00 38.32 37.53 3ceh h ASN 106 CO -0.13 0.27 0.04 0.00 -1.29 0.00 0.00 177.43 176.32 3ceh h ALA 107 N 1.26 1.42 -0.19 -0.83 0.00 -1.75 -2.43 119.26 116.74 3ceh h ALA 107 Ca 0.21 -0.17 -0.16 0.00 0.00 0.00 0.00 54.91 54.79 3ceh h ALA 107 Cb 0.10 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 17.74 3ceh h ALA 107 CO -0.14 0.41 -0.50 0.00 0.00 0.00 0.00 179.25 179.02 3ceh h ASP 109 N 0.38 -0.83 -0.27 0.00 1.82 -0.37 -0.17 116.42 116.98 3ceh h ASP 109 Ca -0.01 0.19 -0.10 0.00 -0.39 0.00 0.00 57.03 56.72 3ceh h ASP 109 Cb 1.12 0.45 -0.01 0.00 0.68 0.00 0.00 39.33 41.57 3ceh h ASP 109 CO 0.11 -0.26 -0.21 -0.08 -1.61 0.00 0.00 179.24 177.19 3ceh h GLU 110 N -0.12 0.61 -0.31 0.28 4.57 -1.31 0.85 114.58 119.15 3ceh h GLU 110 Ca 0.23 -0.30 0.02 0.00 -1.18 0.00 0.00 59.36 58.13 3ceh h GLU 110 Cb 0.49 0.00 -0.02 0.00 -0.16 0.00 0.00 28.75 29.06 3ceh h GLU 110 CO -0.59 0.89 0.17 0.00 -1.18 0.00 0.00 179.01 178.31 3ceh h ALA 111 N 0.70 0.39 -0.48 2.92 0.00 -0.98 0.27 119.26 122.08 3ceh h ALA 111 Ca 0.05 0.00 -0.12 0.00 0.00 0.00 0.00 54.91 54.84 3ceh h ALA 111 Cb 0.75 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.46 3ceh h ALA 111 CO 0.05 -0.20 -0.18 0.82 0.00 0.00 0.00 179.25 179.75 3ceh h ILE 112 N 0.35 1.27 0.05 0.00 1.08 -0.91 -2.48 117.51 116.86 3ceh h ILE 112 Ca 0.13 -1.33 -0.00 0.00 -0.39 0.00 0.00 64.86 63.27 3ceh h ILE 112 Cb 0.02 1.08 0.00 0.00 -3.07 0.00 0.00 36.82 34.85 3ceh h ILE 112 CO -0.07 0.46 -0.02 0.22 -0.69 0.00 0.00 178.15 178.04 3ceh h TYR 113 N 0.84 -0.06 0.00 1.37 3.20 -0.62 -1.55 116.97 120.15 3ceh h TYR 113 Ca 0.12 -0.00 -0.00 0.00 3.14 0.00 0.00 58.73 61.98 3ceh h TYR 113 Cb 0.73 0.02 -0.00 0.00 1.54 0.00 0.00 36.73 39.02 3ceh h TYR 113 CO 0.05 -0.01 -0.02 1.96 -1.64 0.00 0.00 178.16 178.50 3ceh h GLN 114 N -0.10 0.00 -0.23 1.82 4.20 -0.23 0.12 115.11 120.69 3ceh h GLN 114 Ca -0.01 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.70 3ceh h GLN 114 Cb 0.08 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.86 3ceh h GLN 114 CO 0.01 0.02 0.00 1.28 -0.67 0.00 0.00 178.83 179.47 3ceh n LEU 115 N -3.40 1.60 -0.43 1.46 4.77 -0.96 -4.90 117.00 115.14 3ceh n LEU 115 Ca -0.02 -0.74 -0.04 0.00 -0.03 0.00 0.00 56.01 55.18 3ceh n LEU 115 Cb 0.13 -0.15 -0.01 0.00 -2.33 0.00 0.00 43.42 41.06 3ceh n LEU 115 CO 0.25 0.37 -0.05 0.61 -1.33 0.00 0.00 177.39 177.23 3ceh n GLY 116 N 1.06 0.31 3.62 -0.72 0.00 0.40 -5.04 105.19 104.82 3ceh n GLY 116 Ca 0.14 -0.75 -0.26 0.00 0.00 0.00 0.00 46.02 45.14 3ceh n GLY 116 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3ceh s LEU 117 N -1.12 2.90 -0.21 0.99 1.43 -0.61 -5.04 118.68 117.02 3ceh s LEU 117 Ca 0.00 -1.18 -0.02 0.00 -1.03 0.00 0.00 54.13 51.90 3ceh s LEU 117 Cb 0.00 -1.13 0.00 0.00 0.03 0.00 0.00 46.19 45.09 3ceh s LEU 117 CO 0.00 -0.34 -0.10 -0.62 0.23 0.00 0.00 176.35 175.52 3ceh s ASP 118 N -3.71 3.89 0.20 2.29 3.68 -1.26 -3.93 116.67 117.83 3ceh s ASP 118 Ca 0.35 -0.48 -0.06 0.00 2.13 0.00 0.00 52.55 54.49 3ceh s ASP 118 Cb 0.04 -1.65 0.15 0.00 -1.45 0.00 0.00 42.92 40.01 3ceh s ASP 118 CO 0.19 -0.01 1.62 -0.29 0.13 0.00 0.00 175.17 176.80 3ceh h ILE 119 N 5.79 1.27 0.00 4.11 2.10 -1.90 -1.61 117.51 127.26 3ceh h ILE 119 Ca -0.43 -1.32 -0.05 0.00 1.08 0.00 0.00 64.86 64.15 3ceh h ILE 119 Cb 1.15 1.14 -0.01 0.00 -1.09 0.00 0.00 36.82 38.02 3ceh h ILE 119 CO 0.62 0.45 -0.22 -0.33 -1.08 0.00 0.00 178.15 177.58 3ceh h GLU 120 N 0.74 0.00 -0.17 2.19 5.08 -1.98 0.50 114.58 120.94 3ceh h GLU 120 Ca 0.11 0.00 -0.05 0.00 -1.00 0.00 0.00 59.36 58.42 3ceh h GLU 120 Cb 0.72 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.97 3ceh h GLU 120 CO 0.06 0.22 -0.09 1.49 -1.00 0.00 0.00 179.01 179.69 3ceh h GLU 121 N 0.00 0.36 -0.10 2.33 4.81 -1.74 -2.33 114.58 117.90 3ceh h GLU 121 Ca -0.00 -0.16 -0.01 0.00 -0.13 0.00 0.00 59.36 59.06 3ceh h GLU 121 Cb 0.42 -0.01 -0.00 0.00 0.63 0.00 0.00 28.75 29.78 3ceh h GLU 121 CO 0.03 0.67 0.02 -0.07 -0.73 0.00 0.00 179.01 178.93 3ceh h LEU 122 N 0.03 0.16 -1.59 1.64 3.38 -0.84 -2.69 115.31 115.40 3ceh h LEU 122 Ca 0.04 -0.26 0.26 0.00 0.09 0.00 0.00 57.88 58.01 3ceh h LEU 122 Cb 0.57 -0.04 -0.07 0.00 0.09 0.00 0.00 40.66 41.20 3ceh h LEU 122 CO 0.03 0.38 0.67 -0.33 0.09 0.00 0.00 178.44 179.27 3ceh h GLU 123 N -0.06 0.28 0.00 1.13 5.08 -0.97 -1.66 114.58 118.38 3ceh h GLU 123 Ca 0.03 -0.02 -0.05 0.00 -1.00 0.00 0.00 59.36 58.32 3ceh h GLU 123 Cb 0.28 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.46 3ceh h GLU 123 CO 0.00 0.18 -0.25 0.93 -1.00 0.00 0.00 179.01 178.87 3ceh h GLU 124 N 0.29 0.00 -0.75 2.33 4.39 -1.06 -2.91 114.58 116.87 3ceh h GLU 124 Ca 0.52 0.00 0.08 0.00 0.34 0.00 0.00 59.36 60.31 3ceh h GLU 124 Cb 1.53 0.00 -0.05 0.00 -0.10 0.00 0.00 28.75 30.13 3ceh h GLU 124 CO -0.18 0.25 0.49 0.82 -1.16 0.00 0.00 179.01 179.24 3ceh h ILE 125 N 0.00 0.97 -2.93 3.13 1.08 -1.36 -3.45 117.51 114.96 3ceh h ILE 125 Ca -0.00 -0.24 -0.53 0.00 -0.39 0.00 0.00 64.86 63.70 3ceh h ILE 125 Cb 0.48 0.20 0.04 0.00 -3.07 0.00 0.00 36.82 34.47 3ceh h ILE 125 CO 0.03 0.13 0.82 -0.70 -0.69 0.00 0.00 178.15 177.75 3ceh s GLU 126 N -5.65 4.25 0.39 2.37 2.12 -1.10 -4.98 118.70 116.09 3ceh s GLU 126 Ca -0.10 2.27 -0.26 0.00 0.36 0.00 0.00 54.97 57.25 3ceh s GLU 126 Cb 0.20 -3.18 -0.09 0.00 0.26 0.00 0.00 34.13 31.33 3ceh s GLU 126 CO 0.77 -0.54 1.22 -1.21 -0.54 0.00 0.00 175.26 174.96 3ceh s GLU 127 N 0.99 4.10 0.43 4.30 0.41 -1.26 -4.96 118.70 122.71 3ceh s GLU 127 Ca 0.67 1.97 -0.26 0.00 -0.41 0.00 0.00 54.97 56.95 3ceh s GLU 127 Cb -0.42 -2.77 -0.08 0.00 -1.78 0.00 0.00 34.13 29.07 3ceh s GLU 127 CO 0.32 -0.32 1.40 -0.51 -0.49 0.00 0.00 175.26 175.65 3ceh s ASP 128 N -0.93 6.02 -1.27 -0.19 -0.00 -1.26 -4.55 116.67 114.48 3ceh s ASP 128 Ca 0.55 2.85 -0.18 0.00 -0.00 0.00 0.00 52.55 55.78 3ceh s ASP 128 Cb -0.34 -2.65 0.09 0.00 -0.00 0.00 0.00 42.92 40.02 3ceh s ASP 128 CO 0.43 -1.07 1.67 0.00 -0.00 0.00 0.00 175.17 176.20 3ceh s ALA 129 N -1.21 3.40 -1.40 5.23 0.00 -0.92 -4.89 121.76 121.98 3ceh s ALA 129 Ca 0.59 -2.96 -0.08 0.00 0.00 0.00 0.00 51.96 49.51 3ceh s ALA 129 Cb -0.42 -4.55 -0.04 0.00 0.00 0.00 0.00 23.12 18.10 3ceh s ALA 129 CO 0.55 -3.22 2.86 0.41 0.00 0.00 0.00 175.76 176.35 3ceh n GLY 130 N 5.26 4.42 2.19 0.00 0.00 -1.26 -2.07 105.19 113.73 3ceh n GLY 130 Ca 0.46 -1.63 -0.24 0.00 0.00 0.00 0.00 46.02 44.60 3ceh n GLY 130 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3ceh n LEU 131 N 2.94 6.75 -3.69 0.99 4.77 -1.23 0.70 117.00 128.23 3ceh n LEU 131 Ca 0.71 -3.77 -0.09 0.00 -0.03 0.00 0.00 56.01 52.82 3ceh n LEU 131 Cb 0.29 -1.09 -0.03 0.00 -2.33 0.00 0.00 43.42 40.26 3ceh n LEU 131 CO 0.75 1.44 0.39 -0.83 -1.33 0.00 0.00 177.39 177.80 3ceh s GLY 132 N -0.19 -0.24 -0.12 -0.72 0.00 -1.26 -0.68 107.32 104.11 3ceh s GLY 132 Ca 0.46 -0.05 0.05 0.00 0.00 0.00 0.00 44.72 45.18 3ceh s GLY 132 CO -0.09 -0.07 -0.04 0.70 0.00 0.00 0.00 173.10 173.60 3ceh n ASN 133 N -0.40 2.64 0.00 1.64 3.02 -1.26 -4.29 115.26 116.61 3ceh n ASN 133 Ca -0.10 -0.04 0.00 0.00 -0.03 0.00 0.00 54.58 54.42 3ceh n ASN 133 Cb 0.62 0.30 0.00 0.00 -0.61 0.00 0.00 39.78 40.08 3ceh n ASN 133 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3ceh n GLY 134 N 2.58 -0.67 0.33 7.41 0.00 -1.26 -4.87 105.19 108.71 3ceh n GLY 134 Ca -0.21 0.21 -0.04 0.00 0.00 0.00 0.00 46.02 45.98 3ceh n GLY 134 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 3ceh h GLY 135 N 0.00 1.22 0.88 -0.02 0.00 -2.00 0.70 103.07 103.85 3ceh h GLY 135 Ca 0.00 -0.54 0.00 0.00 0.00 0.00 0.00 47.33 46.79 3ceh h GLY 135 CO 0.00 0.52 -0.09 -2.00 0.00 0.00 0.00 176.54 174.97 3ceh h LEU 136 N 1.14 -0.24 -1.44 3.11 6.46 -1.99 0.21 115.31 122.57 3ceh h LEU 136 Ca 0.29 0.03 -0.05 0.00 -0.12 0.00 0.00 57.88 58.03 3ceh h LEU 136 Cb 0.01 0.09 -0.01 0.00 -0.73 0.00 0.00 40.66 40.01 3ceh h LEU 136 CO -0.05 -0.14 -0.24 1.23 -0.62 0.00 0.00 178.44 178.62 3ceh h GLY 137 N -0.20 0.00 1.37 3.75 0.00 -1.73 -3.03 103.07 103.23 3ceh h GLY 137 Ca 0.01 0.00 -0.11 0.00 0.00 0.00 0.00 47.33 47.23 3ceh h GLY 137 CO -0.03 0.00 -0.98 -0.09 0.00 0.00 0.00 176.54 175.44 3ceh h ARG 138 N 0.00 0.00 -0.57 4.80 9.65 -0.59 -0.73 114.38 126.94 3ceh h ARG 138 Ca -0.00 0.00 -0.02 0.00 -1.10 0.00 0.00 59.98 58.86 3ceh h ARG 138 Cb 0.59 0.00 -0.03 0.00 -1.39 0.00 0.00 29.97 29.14 3ceh h ARG 138 CO 0.03 0.29 0.30 1.25 2.80 0.00 0.00 179.97 184.64 3ceh h LEU 139 N 0.00 0.73 -0.45 3.80 5.85 -0.48 -1.90 115.31 122.86 3ceh h LEU 139 Ca -0.08 -0.11 0.06 0.00 0.84 0.00 0.00 57.88 58.59 3ceh h LEU 139 Cb 1.40 -0.19 -0.05 0.00 0.37 0.00 0.00 40.66 42.19 3ceh h LEU 139 CO 0.04 0.63 0.16 0.00 -0.34 0.00 0.00 178.44 178.93 3ceh h ALA 140 N 1.13 0.54 0.34 1.25 0.00 -1.50 -1.59 119.26 119.42 3ceh h ALA 140 Ca 0.20 0.06 -0.02 0.00 0.00 0.00 0.00 54.91 55.15 3ceh h ALA 140 Cb 0.07 0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.90 3ceh h ALA 140 CO -0.03 -0.23 -0.16 0.00 0.00 0.00 0.00 179.25 178.82 3ceh h ALA 141 N 1.30 -0.46 -0.26 0.00 0.00 -1.41 -2.25 119.26 116.17 3ceh h ALA 141 Ca 0.21 -0.12 0.05 0.00 0.00 0.00 0.00 54.91 55.06 3ceh h ALA 141 Cb 0.21 0.18 -0.05 0.00 0.00 0.00 0.00 17.79 18.12 3ceh h ALA 141 CO -0.22 -0.73 -0.08 0.00 0.00 0.00 0.00 179.25 178.23 3ceh h PHE 143 N -0.02 0.78 -0.39 0.00 -1.00 -1.16 0.05 116.94 115.19 3ceh h PHE 143 Ca 0.13 0.04 -0.10 0.00 2.81 0.00 0.00 57.97 60.84 3ceh h PHE 143 Cb 0.21 -0.21 -0.02 0.00 3.61 0.00 0.00 35.95 39.55 3ceh h PHE 143 CO -0.27 0.12 -0.18 -0.07 -1.61 0.00 0.00 178.31 176.30 3ceh h LEU 144 N 0.58 0.74 -0.35 1.54 3.38 -0.98 0.18 115.31 120.41 3ceh h LEU 144 Ca 0.51 -0.25 -0.05 0.00 0.09 0.00 0.00 57.88 58.19 3ceh h LEU 144 Cb 0.81 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 41.35 3ceh h LEU 144 CO -0.41 0.92 0.04 -0.78 0.09 0.00 0.00 178.44 178.29 3ceh h ASP 145 N 0.66 0.57 -0.00 -0.43 3.58 -1.03 -2.10 116.42 117.67 3ceh h ASP 145 Ca 0.10 -0.28 -0.00 0.00 0.42 0.00 0.00 57.03 57.27 3ceh h ASP 145 Cb 0.66 -0.15 -0.00 0.00 1.72 0.00 0.00 39.33 41.56 3ceh h ASP 145 CO 0.05 0.71 0.00 0.28 -2.88 0.00 0.00 179.24 177.40 3ceh h SER 146 N 0.42 0.00 -0.87 2.28 0.02 -0.48 -1.22 113.55 113.70 3ceh h SER 146 Ca 0.10 -0.20 0.04 0.00 -0.84 0.00 0.00 61.79 60.90 3ceh h SER 146 Cb 0.39 -0.00 -0.05 0.00 0.14 0.00 0.00 62.40 62.88 3ceh h SER 146 CO 0.01 0.20 0.56 0.24 -1.14 0.00 0.00 176.83 176.70 3ceh h MET 147 N -0.20 1.04 -0.67 3.45 2.86 -0.66 -0.45 114.93 120.29 3ceh h MET 147 Ca 0.00 -0.06 -0.01 0.00 -2.06 0.00 0.00 59.70 57.57 3ceh h MET 147 Cb 0.20 -0.23 -0.03 0.00 0.06 0.00 0.00 31.60 31.59 3ceh h MET 147 CO -0.00 0.69 0.37 0.00 1.06 0.00 0.00 176.91 179.03 3ceh h ALA 148 N 1.37 1.38 -0.27 6.32 0.00 -1.31 -1.19 119.26 125.57 3ceh h ALA 148 Ca 0.36 -0.10 -0.17 0.00 0.00 0.00 0.00 54.91 54.99 3ceh h ALA 148 Cb 0.04 -0.27 0.00 0.00 0.00 0.00 0.00 17.79 17.56 3ceh h ALA 148 CO -0.13 0.51 -0.51 1.15 0.00 0.00 0.00 179.25 180.27 3ceh h THR 149 N 0.94 1.28 0.00 0.00 2.02 0.05 -2.16 112.91 115.04 3ceh h THR 149 Ca 0.24 -1.70 0.00 0.00 0.77 0.00 0.00 66.41 65.72 3ceh h THR 149 Cb 0.02 1.67 0.00 0.00 -1.74 0.00 0.00 68.15 68.11 3ceh h THR 149 CO -0.04 0.55 0.00 0.18 0.37 0.00 0.00 175.52 176.58 3ceh n LEU 150 N -4.06 0.00 -3.65 2.58 4.32 -0.30 -4.74 117.00 111.14 3ceh n LEU 150 Ca -0.05 0.00 -0.26 0.00 -0.02 0.00 0.00 56.01 55.68 3ceh n LEU 150 Cb 0.61 0.00 0.05 0.00 -1.62 0.00 0.00 43.42 42.46 3ceh n LEU 150 CO 0.49 0.00 0.15 0.61 -1.22 0.00 0.00 177.39 177.43 3ceh n GLY 151 N 0.61 -0.52 3.81 -0.72 0.00 -0.64 -3.13 105.19 104.60 3ceh n GLY 151 Ca 0.17 0.21 -0.31 0.00 0.00 0.00 0.00 46.02 46.08 3ceh n GLY 151 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3ceh s LEU 152 N -7.20 3.24 -1.32 0.99 1.43 -0.54 -3.91 118.68 111.37 3ceh s LEU 152 Ca 0.58 1.68 -0.16 0.00 -1.03 0.00 0.00 54.13 55.20 3ceh s LEU 152 Cb -0.27 -4.51 0.09 0.00 0.03 0.00 0.00 46.19 41.53 3ceh s LEU 152 CO 0.72 -1.36 1.83 0.00 0.23 0.00 0.00 176.35 177.76 3ceh n ALA 153 N -2.80 4.27 -2.39 4.21 0.00 -1.26 -4.74 120.51 117.80 3ceh n ALA 153 Ca 0.08 -3.96 -0.31 0.00 0.00 0.00 0.00 53.44 49.25 3ceh n ALA 153 Cb 0.53 -3.44 -0.14 0.00 0.00 0.00 0.00 19.45 16.40 3ceh n ALA 153 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3ceh s ALA 154 N 3.19 2.40 -0.00 0.00 0.00 -1.26 -0.73 121.76 125.36 3ceh s ALA 154 Ca 0.49 -1.21 0.07 0.00 0.00 0.00 0.00 51.96 51.32 3ceh s ALA 154 Cb 0.06 -0.62 -0.02 0.00 0.00 0.00 0.00 23.12 22.54 3ceh s ALA 154 CO 0.02 0.55 -0.23 0.71 0.00 0.00 0.00 175.76 176.80 3ceh s TYR 155 N -0.82 2.07 -0.14 0.00 2.02 0.21 -3.88 117.35 116.82 3ceh s TYR 155 Ca 0.13 -0.39 -0.10 0.00 -0.37 0.00 0.00 57.07 56.33 3ceh s TYR 155 Cb -0.10 -1.30 -0.05 0.00 -0.40 0.00 0.00 41.96 40.11 3ceh s TYR 155 CO 0.03 0.00 0.21 0.20 -1.57 0.00 0.00 175.55 174.42 3ceh s GLY 156 N -0.73 2.18 -0.08 0.71 0.00 -0.05 -1.35 107.32 108.01 3ceh s GLY 156 Ca 0.09 -0.56 0.00 0.00 0.00 0.00 0.00 44.72 44.26 3ceh s GLY 156 CO -0.00 0.02 -0.06 -0.19 0.00 0.00 0.00 173.10 172.88 3ceh s TYR 157 N -0.30 1.09 0.00 1.90 1.51 -0.70 -0.10 117.35 120.75 3ceh s TYR 157 Ca 0.15 -0.43 0.00 0.00 -1.01 0.00 0.00 57.07 55.78 3ceh s TYR 157 Cb -0.13 -0.95 0.00 0.00 -0.11 0.00 0.00 41.96 40.77 3ceh s TYR 157 CO 0.03 -0.34 0.00 0.41 -1.11 0.00 0.00 175.55 174.54 3ceh n GLY 158 N 4.57 2.60 3.71 0.71 0.00 -1.07 -1.79 105.19 113.91 3ceh n GLY 158 Ca -0.16 -0.71 -0.35 0.00 0.00 0.00 0.00 46.02 44.80 3ceh n GLY 158 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3ceh s ILE 159 N -2.70 5.23 -1.28 -0.61 1.01 -1.26 -1.04 121.20 120.55 3ceh s ILE 159 Ca 0.00 0.12 -0.18 0.00 0.00 0.00 0.00 60.65 60.59 3ceh s ILE 159 Cb 0.00 -3.37 0.01 0.00 0.01 0.00 0.00 42.46 39.11 3ceh s ILE 159 CO 0.00 0.46 1.94 -1.14 0.00 0.00 0.00 174.94 176.20 3ceh n ARG 160 N 3.42 2.69 -1.69 2.79 0.63 0.14 -4.75 116.66 119.88 3ceh n ARG 160 Ca -0.16 -2.80 -0.44 0.00 -0.92 0.00 0.00 57.85 53.52 3ceh n ARG 160 Cb 0.52 -3.41 -0.04 0.00 0.45 0.00 0.00 32.46 29.99 3ceh n ARG 160 CO 0.00 0.00 0.00 0.66 -2.51 0.00 0.00 177.63 175.78 3ceh n TYR 161 N 8.44 2.52 -0.03 -0.14 4.01 -1.26 -4.78 117.16 125.91 3ceh n TYR 161 Ca 0.49 0.15 0.01 0.00 -0.16 0.00 0.00 57.90 58.40 3ceh n TYR 161 Cb 0.43 -2.61 0.32 0.00 -0.31 0.00 0.00 39.34 37.18 3ceh n TYR 161 CO 0.00 0.00 0.00 1.49 -0.46 0.00 0.00 176.86 177.89 3ceh h GLU 162 N 6.35 0.59 -4.51 -0.72 4.81 -0.86 -3.40 114.58 116.83 3ceh h GLU 162 Ca -0.44 -0.09 -0.59 0.00 -0.13 0.00 0.00 59.36 58.11 3ceh h GLU 162 Cb 1.23 -0.11 -0.37 0.00 0.63 0.00 0.00 28.75 30.14 3ceh h GLU 162 CO 0.92 0.52 -0.82 0.71 -0.73 0.00 0.00 179.01 179.61 3ceh s TYR 163 N -5.21 2.07 0.00 0.92 1.51 0.23 -4.24 117.35 112.63 3ceh s TYR 163 Ca -0.08 -1.22 0.00 0.00 -1.01 0.00 0.00 57.07 54.75 3ceh s TYR 163 Cb 0.16 -1.52 0.00 0.00 -0.11 0.00 0.00 41.96 40.49 3ceh s TYR 163 CO 0.76 -0.66 0.00 0.41 -1.11 0.00 0.00 175.55 174.95 3ceh n GLY 164 N 4.79 -1.29 3.67 0.71 0.00 -1.25 -0.74 105.19 111.08 3ceh n GLY 164 Ca -0.15 -1.55 -0.45 0.00 0.00 0.00 0.00 46.02 43.87 3ceh n GLY 164 CO 0.00 0.00 0.00 4.51 0.00 0.00 0.00 173.32 177.83 3ceh n ILE 165 N -0.33 0.55 -1.54 -0.61 0.13 0.22 -4.41 119.36 113.36 3ceh n ILE 165 Ca 0.00 -0.14 -0.37 0.00 -1.10 0.00 0.00 62.75 61.14 3ceh n ILE 165 Cb 0.00 -1.53 0.06 0.00 -0.84 0.00 0.00 39.64 37.33 3ceh n ILE 165 CO 0.00 0.00 0.00 2.22 2.80 0.00 0.00 176.55 181.57 3ceh n PHE 166 N 2.56 0.69 -2.43 9.51 -1.74 -1.26 -4.56 117.46 120.22 3ceh n PHE 166 Ca 0.14 0.42 -0.41 0.00 -0.56 0.00 0.00 57.45 57.03 3ceh n PHE 166 Cb 0.31 -2.11 -0.04 0.00 1.52 0.00 0.00 39.48 39.16 3ceh n PHE 166 CO 0.00 0.00 0.00 -0.80 -0.56 0.00 0.00 176.76 175.40 3ceh s ASN 167 N -1.37 7.15 -0.36 5.98 0.02 0.46 -4.88 114.94 121.94 3ceh s ASN 167 Ca 0.75 2.16 -0.10 0.00 -1.02 0.00 0.00 52.86 54.65 3ceh s ASN 167 Cb -0.39 -2.60 0.02 0.00 0.02 0.00 0.00 41.25 38.30 3ceh s ASN 167 CO 0.48 -0.33 0.19 -1.58 0.02 0.00 0.00 177.10 175.88 3ceh s GLN 168 N -0.15 2.88 0.19 -0.60 0.74 -1.26 -0.48 119.66 120.98 3ceh s GLN 168 Ca 0.52 -1.04 -0.01 0.00 0.05 0.00 0.00 55.36 54.89 3ceh s GLN 168 Cb -0.31 -3.69 -0.04 0.00 1.10 0.00 0.00 33.01 30.07 3ceh s GLN 168 CO 0.35 -0.66 0.38 0.15 -0.55 0.00 0.00 175.29 174.97 3ceh s LYS 169 N 1.55 3.52 -0.21 1.67 -0.14 -0.82 -3.63 119.74 121.68 3ceh s LYS 169 Ca 0.02 -0.34 -0.04 0.00 -1.36 0.00 0.00 55.97 54.25 3ceh s LYS 169 Cb -0.19 -2.85 -0.01 0.00 -1.68 0.00 0.00 37.83 33.10 3ceh s LYS 169 CO 0.06 0.41 -0.03 0.42 -0.76 0.00 0.00 175.35 175.46 3ceh s ILE 170 N -1.84 3.59 -0.17 2.17 -1.09 -1.26 -0.05 121.20 122.54 3ceh s ILE 170 Ca 0.38 -0.43 -0.00 0.00 -2.23 0.00 0.00 60.65 58.37 3ceh s ILE 170 Cb -0.11 -2.63 0.04 0.00 -1.58 0.00 0.00 42.46 38.18 3ceh s ILE 170 CO 0.29 0.42 -0.05 -0.13 -1.23 0.00 0.00 174.94 174.24 3ceh s ARG 171 N 1.32 1.41 -1.21 2.79 0.52 -0.03 -4.71 118.95 119.03 3ceh s ARG 171 Ca 0.04 -0.56 -0.01 0.00 -0.52 0.00 0.00 55.73 54.68 3ceh s ARG 171 Cb -0.14 -2.08 0.00 0.00 0.52 0.00 0.00 34.95 33.25 3ceh s ARG 171 CO -0.01 -0.46 1.02 -0.25 0.02 0.00 0.00 175.30 175.62 3ceh n ASP 172 N 4.86 -2.57 -0.58 0.23 8.00 -1.26 -2.80 116.55 122.44 3ceh n ASP 172 Ca -0.12 -0.61 -0.08 0.00 0.71 0.00 0.00 54.79 54.70 3ceh n ASP 172 Cb 0.47 -5.10 -0.03 0.00 -0.02 0.00 0.00 41.12 36.44 3ceh n ASP 172 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3ceh n GLY 173 N -1.24 0.73 3.44 0.44 0.00 -1.26 -4.97 105.19 102.33 3ceh n GLY 173 Ca -0.25 -0.01 -0.33 0.00 0.00 0.00 0.00 46.02 45.42 3ceh n GLY 173 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 3ceh s TRP 174 N -1.67 2.89 0.22 1.61 0.52 -1.12 -3.73 118.94 117.67 3ceh s TRP 174 Ca 0.00 -0.43 -0.32 0.00 0.02 0.00 0.00 56.10 55.38 3ceh s TRP 174 Cb 0.00 -1.86 -0.14 0.00 -1.15 0.00 0.00 33.47 30.32 3ceh s TRP 174 CO 0.00 -0.07 1.35 0.94 0.02 0.00 0.00 176.95 179.18 3ceh n GLN 175 N 3.33 1.82 -4.40 4.98 7.27 -1.26 -0.85 117.38 128.27 3ceh n GLN 175 Ca -0.18 0.65 -0.22 0.00 0.07 0.00 0.00 57.00 57.32 3ceh n GLN 175 Cb 0.53 -2.27 -0.16 0.00 2.41 0.00 0.00 30.24 30.75 3ceh n GLN 175 CO 0.00 0.00 0.00 0.08 0.07 0.00 0.00 177.06 177.21 3ceh s VAL 176 N -0.10 0.86 -0.03 1.69 1.01 0.93 -4.88 120.40 119.87 3ceh s VAL 176 Ca 0.69 -0.32 -0.20 0.00 0.00 0.00 0.00 61.98 62.15 3ceh s VAL 176 Cb -0.70 -0.81 -0.05 0.00 0.00 0.00 0.00 36.38 34.82 3ceh s VAL 176 CO 0.50 0.29 0.58 -1.61 0.00 0.00 0.00 175.10 174.87 3ceh s GLU 177 N 0.71 4.33 -0.05 2.72 8.01 -1.26 -1.94 118.70 131.22 3ceh s GLU 177 Ca -0.13 0.70 0.03 0.00 0.01 0.00 0.00 54.97 55.58 3ceh s GLU 177 Cb -0.15 -3.37 0.01 0.00 -4.31 0.00 0.00 34.13 26.31 3ceh s GLU 177 CO 0.02 0.30 -0.13 -1.21 0.01 0.00 0.00 175.26 174.25 3ceh s GLU 178 N 0.05 1.54 0.16 1.61 2.02 0.37 -4.98 118.70 119.47 3ceh s GLU 178 Ca 0.31 -0.44 -0.34 0.00 0.02 0.00 0.00 54.97 54.52 3ceh s GLU 178 Cb -0.18 -1.32 -0.15 0.00 0.10 0.00 0.00 34.13 32.58 3ceh s GLU 178 CO 0.16 0.12 1.35 0.00 0.02 0.00 0.00 175.26 176.91 3ceh n ALA 179 N 3.48 0.02 -2.66 5.21 0.00 -1.26 -0.40 120.51 124.89 3ceh n ALA 179 Ca -0.20 0.46 -0.42 0.00 0.00 0.00 0.00 53.44 53.28 3ceh n ALA 179 Cb 0.53 -2.16 -0.03 0.00 0.00 0.00 0.00 19.45 17.79 3ceh n ALA 179 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 3ceh s ASP 180 N 0.39 6.57 -0.03 0.00 2.15 -1.26 -4.59 116.67 119.90 3ceh s ASP 180 Ca 0.77 -1.70 -0.02 0.00 0.43 0.00 0.00 52.55 52.02 3ceh s ASP 180 Cb -0.80 -2.52 -0.09 0.00 -0.30 0.00 0.00 42.92 39.21 3ceh s ASP 180 CO 0.47 -1.36 2.62 -0.67 -0.17 0.00 0.00 175.17 176.06 3ceh n ASP 181 N 8.18 5.40 0.19 -0.34 2.03 -1.26 -3.83 116.55 126.92 3ceh n ASP 181 Ca 0.32 -2.49 0.17 0.00 0.52 0.00 0.00 54.79 53.31 3ceh n ASP 181 Cb 0.50 -1.24 0.71 0.00 -0.72 0.00 0.00 41.12 40.38 3ceh n ASP 181 CO 0.00 0.00 0.00 4.11 -1.92 0.00 0.00 177.20 179.39 3ceh h TRP 182 N 1.81 0.00 -0.46 -0.67 5.08 -1.90 -2.08 115.95 117.73 3ceh h TRP 182 Ca 0.10 0.00 0.00 0.00 1.08 0.00 0.00 58.89 60.07 3ceh h TRP 182 Cb 1.18 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 27.34 3ceh h TRP 182 CO 0.87 0.00 0.00 1.28 -1.28 0.00 0.00 178.44 179.31 3ceh n LEU 183 N -3.25 3.50 -0.23 0.11 4.77 -1.26 -4.68 117.00 115.95 3ceh n LEU 183 Ca 0.04 -1.66 -0.04 0.00 -0.03 0.00 0.00 56.01 54.32 3ceh n LEU 183 Cb 0.60 -0.30 0.02 0.00 -2.33 0.00 0.00 43.42 41.41 3ceh n LEU 183 CO 0.19 0.80 0.64 -0.09 -1.33 0.00 0.00 177.39 177.60 3ceh h ARG 184 N 4.13 -0.11 -0.01 3.23 2.43 -1.76 -1.97 114.38 120.31 3ceh h ARG 184 Ca 0.00 0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.18 3ceh h ARG 184 Cb 0.95 0.03 0.00 0.00 -0.42 0.00 0.00 29.97 30.52 3ceh h ARG 184 CO 0.00 -0.08 -0.13 0.66 -1.51 0.00 0.00 179.97 178.91 3ceh n TYR 185 N -5.45 0.00 0.00 2.20 4.02 -1.26 -5.04 117.16 111.63 3ceh n TYR 185 Ca 0.06 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.95 3ceh n TYR 185 Cb 0.36 -0.05 0.00 0.00 -0.02 0.00 0.00 39.34 39.63 3ceh n TYR 185 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 3ceh n GLY 186 N 1.27 1.78 2.67 2.72 0.00 -0.74 -5.04 105.19 107.85 3ceh n GLY 186 Ca 0.15 -2.02 -0.26 0.00 0.00 0.00 0.00 46.02 43.89 3ceh n GLY 186 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 3ceh s ASN 187 N 0.00 2.51 0.00 1.61 2.47 -1.26 -4.84 114.94 115.42 3ceh s ASN 187 Ca 0.00 -0.65 0.07 0.00 0.42 0.00 0.00 52.86 52.70 3ceh s ASN 187 Cb 0.00 -0.40 0.24 0.00 -1.45 0.00 0.00 41.25 39.64 3ceh s ASN 187 CO 0.00 -0.32 1.18 -0.81 -3.72 0.00 0.00 177.10 173.43 3ceh n PRO 188 N 5.18 1.39 -0.64 0.43 -0.04 -1.26 -3.54 135.00 136.51 3ceh n PRO 188 Ca -0.08 -0.60 0.08 0.00 -0.04 0.00 0.00 63.50 62.86 3ceh n PRO 188 Cb 0.48 -1.16 0.33 0.00 -0.04 0.00 0.00 33.50 33.11 3ceh n PRO 188 CO 0.00 0.00 0.00 0.91 -0.04 0.00 0.00 175.50 176.37 3ceh n TRP 189 N -0.03 1.45 -4.07 0.54 7.02 -1.26 -4.95 117.44 116.15 3ceh n TRP 189 Ca 0.07 -0.78 -0.14 0.00 -1.02 0.00 0.00 57.50 55.63 3ceh n TRP 189 Cb 0.15 -0.38 -0.13 0.00 -2.42 0.00 0.00 31.31 28.52 3ceh n TRP 189 CO 0.00 0.00 0.00 -1.83 -2.02 0.00 0.00 177.69 173.84 3ceh s GLU 190 N -2.64 0.35 -0.13 -0.99 -1.05 -1.23 -4.28 118.70 108.74 3ceh s GLU 190 Ca 0.47 -0.31 -0.00 0.00 -0.15 0.00 0.00 54.97 54.99 3ceh s GLU 190 Cb 0.36 -0.26 0.02 0.00 -0.44 0.00 0.00 34.13 33.81 3ceh s GLU 190 CO 0.14 0.06 -0.11 0.21 0.95 0.00 0.00 175.26 176.51 3ceh s LYS 191 N -0.51 1.92 1.05 -4.83 2.47 0.15 -4.93 119.74 115.06 3ceh s LYS 191 Ca -0.02 -0.41 -0.12 0.00 -1.56 0.00 0.00 55.97 53.86 3ceh s LYS 191 Cb -0.04 -1.85 0.22 0.00 -1.46 0.00 0.00 37.83 34.69 3ceh s LYS 191 CO -0.00 -0.25 1.07 -1.54 0.16 0.00 0.00 175.35 174.79 3ceh s SER 192 N 1.60 2.02 -0.41 1.43 1.04 -1.26 -1.09 113.70 117.03 3ceh s SER 192 Ca 0.05 1.52 0.06 0.00 0.48 0.00 0.00 55.95 58.06 3ceh s SER 192 Cb -0.13 -2.21 0.21 0.00 0.10 0.00 0.00 66.02 63.99 3ceh s SER 192 CO -0.10 -3.55 0.47 0.54 0.98 0.00 0.00 173.24 171.58 3ceh n ARG 193 N -4.49 0.48 -0.21 4.02 5.12 -0.52 -4.81 116.66 116.26 3ceh n ARG 193 Ca 0.05 -3.09 0.22 0.00 -1.93 0.00 0.00 57.85 53.10 3ceh n ARG 193 Cb 0.55 -1.43 0.59 0.00 -1.16 0.00 0.00 32.46 31.01 3ceh n ARG 193 CO 0.00 0.00 0.00 -1.35 -1.93 0.00 0.00 177.63 174.35 3ceh h PRO 194 N 4.73 0.25 0.00 5.56 0.11 -1.95 0.78 132.00 141.48 3ceh h PRO 194 Ca 0.15 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.24 3ceh h PRO 194 Cb 0.91 -0.06 0.00 0.00 0.11 0.00 0.00 31.00 31.96 3ceh h PRO 194 CO 0.40 0.16 0.00 1.05 -0.21 0.00 0.00 178.00 179.40 3ceh h GLU 195 N 0.25 0.00 -0.51 1.05 9.09 -1.98 -3.23 114.58 119.25 3ceh h GLU 195 Ca 0.45 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.86 3ceh h GLU 195 Cb 1.34 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 28.44 3ceh h GLU 195 CO -0.12 0.00 0.00 1.19 0.05 0.00 0.00 179.01 180.13 3ceh n PHE 196 N -2.85 1.36 -1.68 2.06 3.72 0.27 -4.98 117.46 115.35 3ceh n PHE 196 Ca 0.01 -0.68 -0.40 0.00 -0.05 0.00 0.00 57.45 56.34 3ceh n PHE 196 Cb 0.30 -0.28 0.03 0.00 -0.94 0.00 0.00 39.48 38.58 3ceh n PHE 196 CO 0.00 0.00 0.00 -1.33 -0.05 0.00 0.00 176.76 175.38 3ceh n MET 197 N 0.60 1.60 -4.05 -1.08 2.81 -1.22 -4.69 117.12 111.10 3ceh n MET 197 Ca 0.24 0.58 -0.12 0.00 -1.81 0.00 0.00 57.70 56.58 3ceh n MET 197 Cb 0.90 -2.35 -0.12 0.00 -0.71 0.00 0.00 33.22 30.94 3ceh n MET 197 CO 0.00 0.00 0.00 -0.51 1.51 0.00 0.00 175.97 176.97 3ceh s LEU 198 N -2.02 2.20 0.38 4.03 1.43 -1.10 -4.95 118.68 118.65 3ceh s LEU 198 Ca 0.67 -0.44 -0.25 0.00 -1.03 0.00 0.00 54.13 53.08 3ceh s LEU 198 Cb -0.47 -0.11 -0.09 0.00 0.03 0.00 0.00 46.19 45.55 3ceh s LEU 198 CO 0.54 -0.17 1.04 -2.84 0.23 0.00 0.00 176.35 175.14 3ceh s PRO 199 N -1.24 4.27 -0.02 1.29 0.02 -1.26 -0.48 135.00 137.58 3ceh s PRO 199 Ca -0.09 1.50 0.05 0.00 0.02 0.00 0.00 61.00 62.49 3ceh s PRO 199 Cb -0.08 -2.63 -0.01 0.00 0.02 0.00 0.00 34.50 31.80 3ceh s PRO 199 CO -0.00 -0.05 -0.18 0.08 -0.33 0.00 0.00 177.00 176.52 3ceh s VAL 200 N -1.62 1.45 0.02 3.83 1.01 0.11 -4.87 120.40 120.33 3ceh s VAL 200 Ca 0.56 -0.78 0.02 0.00 0.00 0.00 0.00 61.98 61.78 3ceh s VAL 200 Cb -0.22 -1.21 -0.04 0.00 0.00 0.00 0.00 36.38 34.91 3ceh s VAL 200 CO 0.28 0.41 -0.00 -1.00 0.00 0.00 0.00 175.10 174.79 3ceh s HIS 201 N -0.37 3.06 0.01 5.22 3.76 -1.26 -0.87 115.29 124.84 3ceh s HIS 201 Ca 0.06 0.06 -0.04 0.00 -0.15 0.00 0.00 55.06 54.99 3ceh s HIS 201 Cb -0.08 -1.64 -0.01 0.00 1.11 0.00 0.00 32.58 31.96 3ceh s HIS 201 CO -0.00 0.46 0.06 -0.06 -0.85 0.00 0.00 174.74 174.35 3ceh s PHE 202 N -1.12 0.16 0.00 1.40 0.08 -0.01 -4.98 117.98 113.51 3ceh s PHE 202 Ca 0.21 -0.36 0.00 0.00 0.12 0.00 0.00 56.93 56.90 3ceh s PHE 202 Cb -0.12 -0.12 0.00 0.00 -0.57 0.00 0.00 43.02 42.21 3ceh s PHE 202 CO 0.12 -0.25 0.00 0.66 -0.10 0.00 0.00 175.22 175.64 3ceh n TYR 203 N 1.42 0.00 -4.66 0.36 4.02 -0.51 -0.71 117.16 117.08 3ceh n TYR 203 Ca -0.23 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.66 3ceh n TYR 203 Cb 0.56 0.03 0.00 0.00 -0.02 0.00 0.00 39.34 39.91 3ceh n TYR 203 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 3ceh n GLY 204 N 0.00 0.11 3.40 2.72 0.00 -1.18 -4.69 105.19 105.55 3ceh n GLY 204 Ca 0.00 -0.99 -0.11 0.00 0.00 0.00 0.00 46.02 44.92 3ceh n GLY 204 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3ceh s LYS 205 N 0.00 1.40 -0.17 1.61 -2.85 0.43 -4.86 119.74 115.30 3ceh s LYS 205 Ca 0.00 -1.47 -0.04 0.00 -1.00 0.00 0.00 55.97 53.46 3ceh s LYS 205 Cb 0.00 0.37 -0.02 0.00 -2.06 0.00 0.00 37.83 36.12 3ceh s LYS 205 CO 0.00 -0.53 -0.03 0.08 0.10 0.00 0.00 175.35 174.97 3ceh s VAL 206 N -4.03 3.87 -0.13 1.79 1.01 -1.26 -0.17 120.40 121.48 3ceh s VAL 206 Ca 0.31 -0.35 -0.02 0.00 0.00 0.00 0.00 61.98 61.91 3ceh s VAL 206 Cb 0.03 -2.72 -0.03 0.00 0.00 0.00 0.00 36.38 33.66 3ceh s VAL 206 CO 0.11 0.47 -0.04 -1.61 0.00 0.00 0.00 175.10 174.03 3ceh s GLU 207 N 0.65 3.37 -0.99 2.72 2.02 -0.06 -4.96 118.70 121.44 3ceh s GLU 207 Ca -0.02 -0.51 -0.03 0.00 0.02 0.00 0.00 54.97 54.43 3ceh s GLU 207 Cb -0.14 -2.82 0.27 0.00 0.10 0.00 0.00 34.13 31.54 3ceh s GLU 207 CO 0.02 0.40 1.13 0.72 0.02 0.00 0.00 175.26 177.55 3ceh n HIS 208 N 3.04 3.69 -1.36 1.61 8.25 -1.26 0.14 115.22 129.33 3ceh n HIS 208 Ca -0.18 -3.50 -0.30 0.00 -0.26 0.00 0.00 57.72 53.48 3ceh n HIS 208 Cb 0.53 -1.25 0.22 0.00 1.12 0.00 0.00 29.99 30.61 3ceh n HIS 208 CO 0.00 0.00 0.00 0.95 0.64 0.00 0.00 176.34 177.93 3ceh s THR 209 N -2.04 1.72 -0.41 1.59 -4.23 -1.13 -4.91 115.64 106.23 3ceh s THR 209 Ca 0.31 0.00 0.05 0.00 -1.18 0.00 0.00 61.69 60.88 3ceh s THR 209 Cb -0.00 -2.66 0.45 0.00 1.34 0.00 0.00 72.50 71.63 3ceh s THR 209 CO -0.01 0.00 1.41 -0.46 -0.54 0.00 0.00 174.62 175.01 3ceh n ASN 210 N -4.46 3.66 -0.00 3.99 6.94 -1.26 -3.36 115.26 120.77 3ceh n ASN 210 Ca 0.14 -2.77 0.00 0.00 -0.02 0.00 0.00 54.58 51.93 3ceh n ASN 210 Cb 0.59 -0.66 0.00 0.00 -2.36 0.00 0.00 39.78 37.36 3ceh n ASN 210 CO 0.00 0.00 0.00 0.41 -1.03 0.00 0.00 177.26 176.64 3ceh n THR 211 N -0.06 0.62 0.00 5.53 -1.04 -1.26 -5.11 114.28 112.96 3ceh n THR 211 Ca 0.27 -0.62 0.00 0.00 -2.04 0.00 0.00 64.05 61.65 3ceh n THR 211 Cb 1.02 0.69 0.00 0.00 -1.82 0.00 0.00 70.33 70.21 3ceh n THR 211 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 3ceh n GLY 212 N -0.31 2.59 3.80 3.41 0.00 -1.21 -5.04 105.19 108.42 3ceh n GLY 212 Ca 0.00 -2.03 -0.39 0.00 0.00 0.00 0.00 46.02 43.60 3ceh n GLY 212 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 3ceh s THR 213 N -2.51 4.55 -0.04 2.61 -1.32 -1.26 -2.85 115.64 114.82 3ceh s THR 213 Ca 0.00 1.45 0.02 0.00 -1.21 0.00 0.00 61.69 61.95 3ceh s THR 213 Cb 0.00 -4.00 0.01 0.00 -1.51 0.00 0.00 72.50 67.00 3ceh s THR 213 CO 0.00 0.50 -0.09 -0.54 -2.21 0.00 0.00 174.62 172.28 3ceh s LYS 214 N -1.24 1.09 -0.26 7.08 1.02 0.37 -4.86 119.74 122.94 3ceh s LYS 214 Ca 0.34 -0.28 -0.11 0.00 0.02 0.00 0.00 55.97 55.94 3ceh s LYS 214 Cb -0.21 -0.99 -0.05 0.00 -0.52 0.00 0.00 37.83 36.06 3ceh s LYS 214 CO 0.23 0.05 0.20 -0.46 -0.92 0.00 0.00 175.35 174.44 3ceh s TRP 215 N 0.47 3.26 0.05 3.18 -0.00 -1.26 -0.88 118.94 123.76 3ceh s TRP 215 Ca -0.08 0.18 -0.01 0.00 -0.00 0.00 0.00 56.10 56.20 3ceh s TRP 215 Cb -0.12 -2.36 -0.04 0.00 -0.00 0.00 0.00 33.47 30.96 3ceh s TRP 215 CO 0.01 -0.09 -0.03 0.96 -0.00 0.00 0.00 176.95 177.80 3ceh s ILE 216 N 1.55 0.24 -1.00 5.86 -4.36 0.76 -4.83 121.20 119.41 3ceh s ILE 216 Ca 0.08 -1.71 -0.06 0.00 -0.26 0.00 0.00 60.65 58.70 3ceh s ILE 216 Cb -0.15 -1.38 0.01 0.00 1.25 0.00 0.00 42.46 42.18 3ceh s ILE 216 CO 0.09 -0.93 0.87 0.47 0.24 0.00 0.00 174.94 175.68 3ceh n ASP 217 N 0.28 -5.02 -4.96 4.36 8.00 -1.26 -0.42 116.55 117.53 3ceh n ASP 217 Ca -0.15 -0.41 -0.22 0.00 0.71 0.00 0.00 54.79 54.72 3ceh n ASP 217 Cb 0.60 -3.89 0.00 0.00 -0.02 0.00 0.00 41.12 37.82 3ceh n ASP 217 CO 0.00 0.00 0.00 0.42 -0.39 0.00 0.00 177.20 177.23 3ceh s THR 218 N -3.24 4.37 -0.01 -3.53 -4.23 -1.26 -3.09 115.64 104.65 3ceh s THR 218 Ca 0.40 -0.63 -0.15 0.00 -1.18 0.00 0.00 61.69 60.13 3ceh s THR 218 Cb -0.18 -3.58 -0.06 0.00 1.34 0.00 0.00 72.50 70.02 3ceh s THR 218 CO 0.54 -0.35 0.42 -1.10 -0.54 0.00 0.00 174.62 173.59 3ceh s GLN 219 N -4.38 3.99 -0.10 3.99 -1.52 0.11 -4.92 119.66 116.84 3ceh s GLN 219 Ca 0.45 0.43 0.01 0.00 -1.95 0.00 0.00 55.36 54.30 3ceh s GLN 219 Cb -0.10 -3.25 -0.02 0.00 -0.22 0.00 0.00 33.01 29.42 3ceh s GLN 219 CO 0.35 0.62 -0.13 0.08 -0.25 0.00 0.00 175.29 175.96 3ceh s VAL 220 N -0.86 3.11 0.02 1.09 1.01 -1.26 -0.83 120.40 122.69 3ceh s VAL 220 Ca 0.24 -0.67 0.07 0.00 0.00 0.00 0.00 61.98 61.62 3ceh s VAL 220 Cb -0.17 -2.27 -0.03 0.00 0.00 0.00 0.00 36.38 33.92 3ceh s VAL 220 CO 0.13 0.55 -0.19 -0.69 0.00 0.00 0.00 175.10 174.91 3ceh s VAL 221 N -0.14 2.73 0.10 2.92 1.01 -0.05 -4.43 120.40 122.54 3ceh s VAL 221 Ca -0.01 -1.12 -0.09 0.00 0.00 0.00 0.00 61.98 60.76 3ceh s VAL 221 Cb -0.14 -2.12 -0.06 0.00 0.00 0.00 0.00 36.38 34.07 3ceh s VAL 221 CO 0.03 0.40 0.40 -0.76 0.00 0.00 0.00 175.10 175.17 3ceh s LEU 222 N -1.25 4.32 -0.36 3.92 1.43 0.19 0.08 118.68 127.01 3ceh s LEU 222 Ca 0.14 0.75 -0.01 0.00 -1.03 0.00 0.00 54.13 53.97 3ceh s LEU 222 Cb -0.10 -3.07 0.09 0.00 0.03 0.00 0.00 46.19 43.14 3ceh s LEU 222 CO 0.04 0.14 0.11 0.00 0.23 0.00 0.00 176.35 176.87 3ceh s ALA 223 N -1.47 3.00 -0.30 4.21 0.00 0.37 -0.48 121.76 127.10 3ceh s ALA 223 Ca 0.35 -2.32 -0.19 0.00 0.00 0.00 0.00 51.96 49.80 3ceh s ALA 223 Cb -0.13 -2.17 -0.01 0.00 0.00 0.00 0.00 23.12 20.80 3ceh s ALA 223 CO 0.19 -1.62 0.59 -1.17 0.00 0.00 0.00 175.76 173.74 3ceh s LEU 224 N 1.12 4.14 0.24 0.00 2.96 0.33 -2.70 118.68 124.77 3ceh s LEU 224 Ca 0.05 0.41 -0.20 0.00 -0.22 0.00 0.00 54.13 54.16 3ceh s LEU 224 Cb -0.21 -2.75 -0.08 0.00 0.50 0.00 0.00 46.19 43.65 3ceh s LEU 224 CO -0.04 -0.43 0.75 -2.16 -1.32 0.00 0.00 176.35 173.16 3ceh s PRO 225 N 2.50 4.29 -0.12 0.98 0.04 -1.26 0.12 135.00 141.55 3ceh s PRO 225 Ca 0.23 0.92 0.03 0.00 0.04 0.00 0.00 61.00 62.23 3ceh s PRO 225 Cb -0.15 -2.85 0.00 0.00 0.04 0.00 0.00 34.50 31.54 3ceh s PRO 225 CO 0.11 0.37 -0.23 0.71 0.04 0.00 0.00 177.00 178.00 3ceh s TYR 226 N -1.55 2.61 -0.14 0.56 2.02 0.91 -1.43 117.35 120.33 3ceh s TYR 226 Ca 0.44 -1.20 -0.13 0.00 -0.37 0.00 0.00 57.07 55.81 3ceh s TYR 226 Cb -0.17 -1.76 -0.05 0.00 -0.40 0.00 0.00 41.96 39.59 3ceh s TYR 226 CO 0.21 -0.52 0.29 -0.51 -1.57 0.00 0.00 175.55 173.45 3ceh s ASP 227 N 0.57 6.47 -0.06 2.29 -0.00 -0.25 -1.20 116.67 124.50 3ceh s ASP 227 Ca -0.13 0.55 0.06 0.00 -0.00 0.00 0.00 52.55 53.03 3ceh s ASP 227 Cb -0.17 -2.18 -0.01 0.00 -0.00 0.00 0.00 42.92 40.56 3ceh s ASP 227 CO 0.04 0.16 -0.25 -0.89 -0.00 0.00 0.00 175.17 174.22 3ceh s THR 228 N 0.13 2.05 0.04 -1.27 2.01 0.16 -0.68 115.64 118.09 3ceh s THR 228 Ca 0.17 -1.07 -0.31 0.00 0.31 0.00 0.00 61.69 60.80 3ceh s THR 228 Cb -0.13 -1.73 -0.06 0.00 0.01 0.00 0.00 72.50 70.59 3ceh s THR 228 CO 0.05 0.57 1.38 -2.16 -0.69 0.00 0.00 174.62 173.76 3ceh s PRO 229 N -0.19 4.31 -0.70 4.92 0.04 -1.26 -0.93 135.00 141.19 3ceh s PRO 229 Ca -0.03 1.98 -0.09 0.00 0.04 0.00 0.00 61.00 62.90 3ceh s PRO 229 Cb -0.13 -3.45 0.18 0.00 0.04 0.00 0.00 34.50 31.14 3ceh s PRO 229 CO 0.03 -0.50 0.59 0.08 0.04 0.00 0.00 177.00 177.25 3ceh s VAL 230 N 1.84 4.75 0.26 -0.36 1.01 0.57 -4.90 120.40 123.58 3ceh s VAL 230 Ca 0.64 -2.54 -0.30 0.00 0.00 0.00 0.00 61.98 59.78 3ceh s VAL 230 Cb -0.33 -4.01 -0.09 0.00 0.00 0.00 0.00 36.38 31.95 3ceh s VAL 230 CO 0.28 -0.94 1.07 -2.16 0.00 0.00 0.00 175.10 173.35 3ceh s PRO 231 N 0.27 4.68 0.65 2.72 0.04 -1.26 -1.35 135.00 140.74 3ceh s PRO 231 Ca 0.16 1.74 -0.12 0.00 0.04 0.00 0.00 61.00 62.82 3ceh s PRO 231 Cb -0.16 -3.22 -0.02 0.00 0.04 0.00 0.00 34.50 31.14 3ceh s PRO 231 CO -0.05 0.25 1.04 0.20 0.04 0.00 0.00 177.00 178.48 3ceh s GLY 232 N -0.84 1.72 -0.50 0.56 0.00 -0.31 -4.78 107.32 103.17 3ceh s GLY 232 Ca 0.44 0.05 -0.28 0.00 0.00 0.00 0.00 44.72 44.93 3ceh s GLY 232 CO 0.39 0.34 1.31 -0.47 0.00 0.00 0.00 173.10 174.66 3ceh s TYR 233 N -3.03 2.50 -1.38 1.90 5.04 -1.26 -4.24 117.35 116.87 3ceh s TYR 233 Ca 0.57 0.57 -0.02 0.00 -2.44 0.00 0.00 57.07 55.76 3ceh s TYR 233 Cb -0.13 -4.41 -0.00 0.00 0.35 0.00 0.00 41.96 37.77 3ceh s TYR 233 CO 0.52 -1.74 0.45 -1.33 -1.34 0.00 0.00 175.55 172.11 3ceh n MET 234 N 8.27 -3.23 0.00 4.97 2.81 -0.95 -4.93 117.12 124.06 3ceh n MET 234 Ca 0.13 0.42 0.00 0.00 -1.81 0.00 0.00 57.70 56.43 3ceh n MET 234 Cb 0.49 -4.52 0.00 0.00 -0.71 0.00 0.00 33.22 28.48 3ceh n MET 234 CO 0.00 0.00 0.00 0.27 1.51 0.00 0.00 175.97 177.75 3ceh n ASN 235 N -2.97 0.12 -0.32 7.83 0.23 -1.26 -5.06 115.26 113.84 3ceh n ASN 235 Ca -0.30 0.00 0.03 0.00 -0.53 0.00 0.00 54.58 53.78 3ceh n ASN 235 Cb 0.68 0.00 0.08 0.00 -2.08 0.00 0.00 39.78 38.46 3ceh n ASN 235 CO 0.00 0.00 0.00 0.59 -0.93 0.00 0.00 177.26 176.92 3ceh n ASN 236 N 0.00 2.44 -4.71 0.53 3.02 -1.26 -4.95 115.26 110.33 3ceh n ASN 236 Ca 0.00 -1.98 -0.39 0.00 -0.03 0.00 0.00 54.58 52.18 3ceh n ASN 236 Cb 0.00 -0.11 -0.05 0.00 -0.61 0.00 0.00 39.78 39.00 3ceh n ASN 236 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 3ceh s THR 237 N -0.98 5.10 -0.23 3.41 2.01 -1.26 -4.66 115.64 119.03 3ceh s THR 237 Ca 0.11 1.20 -0.02 0.00 0.31 0.00 0.00 61.69 63.30 3ceh s THR 237 Cb 0.06 -3.93 0.07 0.00 0.01 0.00 0.00 72.50 68.71 3ceh s THR 237 CO 0.08 0.26 0.04 -0.69 -0.69 0.00 0.00 174.62 173.62 3ceh s VAL 238 N 0.91 0.70 0.41 3.82 1.01 -1.26 -1.16 120.40 124.83 3ceh s VAL 238 Ca 0.31 -0.84 -0.04 0.00 0.00 0.00 0.00 61.98 61.42 3ceh s VAL 238 Cb -0.16 -1.26 0.09 0.00 0.00 0.00 0.00 36.38 35.04 3ceh s VAL 238 CO 0.14 -0.32 0.55 0.59 0.00 0.00 0.00 175.10 176.06 3ceh n ASN 239 N 4.97 0.36 -4.19 3.32 5.03 -0.45 -4.61 115.26 119.69 3ceh n ASN 239 Ca -0.08 -1.39 -0.26 0.00 0.87 0.00 0.00 54.58 53.72 3ceh n ASN 239 Cb 0.45 -0.39 -0.15 0.00 -1.02 0.00 0.00 39.78 38.66 3ceh n ASN 239 CO 0.00 0.00 0.00 -0.89 -1.83 0.00 0.00 177.26 174.54 3ceh s THR 240 N -1.85 1.48 -0.23 3.41 2.01 -1.25 -0.32 115.64 118.89 3ceh s THR 240 Ca 0.34 -0.80 -0.03 0.00 0.31 0.00 0.00 61.69 61.50 3ceh s THR 240 Cb -0.01 -1.23 -0.00 0.00 0.01 0.00 0.00 72.50 71.26 3ceh s THR 240 CO 0.23 0.42 -0.05 -0.32 -0.69 0.00 0.00 174.62 174.22 3ceh s MET 241 N -0.42 3.26 -0.30 4.92 1.75 -0.11 -0.87 119.30 127.53 3ceh s MET 241 Ca 0.07 -0.70 -0.03 0.00 -1.25 0.00 0.00 55.69 53.78 3ceh s MET 241 Cb -0.07 -3.01 0.04 0.00 2.84 0.00 0.00 34.83 34.63 3ceh s MET 241 CO -0.01 -0.25 0.01 0.50 -0.65 0.00 0.00 175.02 174.63 3ceh s ARG 242 N 1.45 2.53 -0.09 4.11 3.52 0.86 0.40 118.95 131.72 3ceh s ARG 242 Ca 0.05 -1.21 -0.03 0.00 -0.13 0.00 0.00 55.73 54.41 3ceh s ARG 242 Cb -0.15 -3.21 -0.04 0.00 -1.56 0.00 0.00 34.95 30.00 3ceh s ARG 242 CO -0.04 -0.60 0.05 -0.51 -0.81 0.00 0.00 175.30 173.40 3ceh s LEU 243 N 1.29 3.86 0.08 -0.88 1.43 -0.34 -2.59 118.68 121.54 3ceh s LEU 243 Ca -0.04 0.24 -0.05 0.00 -1.03 0.00 0.00 54.13 53.26 3ceh s LEU 243 Cb -0.19 -1.94 -0.05 0.00 0.03 0.00 0.00 46.19 44.04 3ceh s LEU 243 CO -0.01 0.38 0.31 0.26 0.23 0.00 0.00 176.35 177.52 3ceh s TRP 244 N -0.96 3.52 0.01 0.29 0.52 -0.21 -0.06 118.94 122.05 3ceh s TRP 244 Ca 0.15 0.51 0.08 0.00 0.02 0.00 0.00 56.10 56.85 3ceh s TRP 244 Cb -0.12 -1.96 -0.02 0.00 -1.15 0.00 0.00 33.47 30.23 3ceh s TRP 244 CO 0.04 0.52 -0.24 -1.12 0.02 0.00 0.00 176.95 176.17 3ceh s SER 245 N -2.21 2.89 -0.04 2.95 0.01 0.12 -0.68 113.70 116.73 3ceh s SER 245 Ca 0.35 -0.49 -0.30 0.00 1.31 0.00 0.00 55.95 56.82 3ceh s SER 245 Cb -0.13 -0.29 -0.03 0.00 0.21 0.00 0.00 66.02 65.78 3ceh s SER 245 CO 0.23 0.27 1.09 0.00 0.41 0.00 0.00 173.24 175.24 3ceh s ALA 246 N -0.67 3.39 0.03 1.44 0.00 -1.26 -0.51 121.76 124.19 3ceh s ALA 246 Ca 0.10 0.56 0.04 0.00 0.00 0.00 0.00 51.96 52.66 3ceh s ALA 246 Cb -0.09 -3.45 -0.02 0.00 0.00 0.00 0.00 23.12 19.56 3ceh s ALA 246 CO 0.00 -0.56 -0.13 1.03 0.00 0.00 0.00 175.76 176.10 3ceh s ARG 247 N 1.76 0.85 0.57 0.00 1.81 0.37 -4.56 118.95 119.75 3ceh s ARG 247 Ca 0.53 -0.71 -0.18 0.00 -1.72 0.00 0.00 55.73 53.65 3ceh s ARG 247 Cb -0.23 -0.83 -0.04 0.00 -0.45 0.00 0.00 34.95 33.40 3ceh s ARG 247 CO 0.23 0.20 1.12 0.00 -0.68 0.00 0.00 175.30 176.17 3ceh s ALA 248 N -0.84 2.65 0.86 2.13 0.00 -1.26 0.52 121.76 125.81 3ceh s ALA 248 Ca 0.00 0.74 -0.08 0.00 0.00 0.00 0.00 51.96 52.62 3ceh s ALA 248 Cb -0.08 -3.34 0.18 0.00 0.00 0.00 0.00 23.12 19.88 3ceh s ALA 248 CO 0.01 -0.88 1.18 -1.25 0.00 0.00 0.00 175.76 174.82 3ceh s PRO 249 N -3.50 1.01 -0.59 0.00 0.04 -1.26 -4.72 135.00 125.99 3ceh s PRO 249 Ca 0.71 -0.87 -0.04 0.00 0.04 0.00 0.00 61.00 60.85 3ceh s PRO 249 Cb -0.23 -2.09 0.15 0.00 0.04 0.00 0.00 34.50 32.38 3ceh s PRO 249 CO 0.30 -2.03 0.41 -0.80 0.04 0.00 0.00 177.00 174.93 3ceh s ASN 250 N -4.86 5.35 -0.00 6.66 -0.87 -1.26 -4.85 114.94 115.10 3ceh s ASN 250 Ca 0.72 -2.65 -0.00 0.00 -1.57 0.00 0.00 52.86 49.35 3ceh s ASN 250 Cb -0.04 -1.88 0.00 0.00 -0.02 0.00 0.00 41.25 39.32 3ceh s ASN 250 CO 0.49 -0.43 0.01 0.47 -2.57 0.00 0.00 177.10 175.07 3ceh n ASP 251 N 3.79 -2.20 0.18 -1.22 8.00 -1.26 -5.28 116.55 118.55 3ceh n ASP 251 Ca 0.05 0.08 -0.08 0.00 0.71 0.00 0.00 54.79 55.56 3ceh n ASP 251 Cb 0.39 -1.22 -0.04 0.00 -0.02 0.00 0.00 41.12 40.24 3ceh n ASP 251 CO 0.00 0.00 0.00 2.19 -0.39 0.00 0.00 177.20 179.00 3ceh h PHE 252 N 0.21 -0.48 0.00 1.24 -0.00 -1.94 -3.50 116.94 112.47 3ceh h PHE 252 Ca -0.01 -0.01 0.00 0.00 -0.00 0.00 0.00 57.97 57.95 3ceh h PHE 252 Cb 0.03 0.16 0.00 0.00 -0.00 0.00 0.00 35.95 36.14 3ceh h PHE 252 CO 0.00 -0.30 0.00 -3.47 -0.00 0.00 0.00 178.31 174.54 3ceh n ASP 261 N -4.69 0.00 -0.01 -0.68 4.64 -1.26 -4.91 116.55 109.65 3ceh n ASP 261 Ca -0.06 0.00 -0.12 0.00 -1.38 0.00 0.00 54.79 53.22 3ceh n ASP 261 Cb 0.21 0.00 -0.08 0.00 -1.04 0.00 0.00 41.12 40.20 3ceh n ASP 261 CO 0.00 0.00 0.00 0.22 -0.82 0.00 0.00 177.20 176.60 3ceh h TYR 262 N 0.16 0.08 0.02 -0.67 3.20 -2.06 -2.64 116.97 115.06 3ceh h TYR 262 Ca 0.00 -0.01 0.03 0.00 3.14 0.00 0.00 58.73 61.88 3ceh h TYR 262 Cb 0.00 -0.02 -0.04 0.00 1.54 0.00 0.00 36.73 38.21 3ceh h TYR 262 CO 0.00 0.37 -0.24 0.82 -1.64 0.00 0.00 178.16 177.47 3ceh h ILE 263 N -0.24 0.46 -0.98 1.81 1.08 -2.05 -1.67 117.51 115.91 3ceh h ILE 263 Ca 0.01 0.00 0.05 0.00 -0.39 0.00 0.00 64.86 64.53 3ceh h ILE 263 Cb 0.34 0.46 -0.06 0.00 -3.07 0.00 0.00 36.82 34.48 3ceh h ILE 263 CO 0.00 0.00 0.63 -0.61 -0.69 0.00 0.00 178.15 177.49 3ceh h GLN 264 N -0.38 1.15 -0.53 2.37 5.75 -1.99 -0.38 115.11 121.10 3ceh h GLN 264 Ca 0.06 -0.07 0.07 0.00 -0.15 0.00 0.00 58.65 58.56 3ceh h GLN 264 Cb 0.45 -0.26 -0.06 0.00 1.07 0.00 0.00 27.48 28.69 3ceh h GLN 264 CO -0.20 0.76 0.21 0.00 -2.65 0.00 0.00 178.83 176.95 3ceh h ALA 265 N 1.43 0.66 -0.44 3.38 0.00 -1.04 0.45 119.26 123.70 3ceh h ALA 265 Ca 0.41 0.06 -0.13 0.00 0.00 0.00 0.00 54.91 55.25 3ceh h ALA 265 Cb 0.10 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 17.90 3ceh h ALA 265 CO -0.15 -0.18 -0.24 0.28 0.00 0.00 0.00 179.25 178.96 3ceh h VAL 266 N 0.41 1.27 -0.44 0.00 2.07 -0.38 -2.08 116.25 117.09 3ceh h VAL 266 Ca 0.25 -1.40 -0.02 0.00 0.82 0.00 0.00 66.70 66.35 3ceh h VAL 266 Cb 0.25 1.23 -0.02 0.00 -1.52 0.00 0.00 31.29 31.23 3ceh h VAL 266 CO -0.24 0.48 0.19 -0.07 0.02 0.00 0.00 177.57 177.95 3ceh h LEU 267 N 0.76 0.55 -1.00 2.57 3.38 -0.68 -2.63 115.31 118.26 3ceh h LEU 267 Ca 0.09 -0.05 0.00 0.00 0.09 0.00 0.00 57.88 58.01 3ceh h LEU 267 Cb 0.82 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 41.43 3ceh h LEU 267 CO 0.07 0.48 0.00 0.44 0.09 0.00 0.00 178.44 179.52 3ceh h ASP 268 N 0.61 0.00 0.00 -0.43 3.32 0.61 -1.68 116.42 118.85 3ceh h ASP 268 Ca 0.15 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.20 3ceh h ASP 268 Cb 0.09 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.64 3ceh h ASP 268 CO -0.02 0.00 0.04 0.03 -1.72 0.00 0.00 179.24 177.57 3ceh h ARG 269 N 0.00 0.00 -0.96 3.56 3.08 -1.41 -0.88 114.38 117.76 3ceh h ARG 269 Ca 0.00 0.00 0.25 0.00 0.07 0.00 0.00 59.98 60.30 3ceh h ARG 269 Cb 0.29 0.00 -0.13 0.00 0.08 0.00 0.00 29.97 30.21 3ceh h ARG 269 CO 0.00 0.00 0.51 -0.91 -1.07 0.00 0.00 179.97 178.50 3ceh h ASN 270 N 0.00 0.52 -0.03 7.04 -0.26 -1.51 -2.87 115.58 118.47 3ceh h ASN 270 Ca 0.00 0.15 -0.00 0.00 -0.56 0.00 0.00 56.30 55.89 3ceh h ASN 270 Cb 0.09 0.09 -0.00 0.00 -1.06 0.00 0.00 38.32 37.43 3ceh h ASN 270 CO 0.00 0.03 0.01 -0.07 -1.06 0.00 0.00 177.43 176.34 3ceh h LEU 271 N 0.47 0.04 -0.32 1.61 3.38 -1.41 0.11 115.31 119.19 3ceh h LEU 271 Ca 0.63 -0.14 0.06 0.00 0.09 0.00 0.00 57.88 58.52 3ceh h LEU 271 Cb 1.23 -0.01 -0.06 0.00 0.09 0.00 0.00 40.66 41.91 3ceh h LEU 271 CO -0.52 0.17 -0.07 0.00 0.09 0.00 0.00 178.44 178.12 3ceh h ALA 272 N 0.87 0.22 0.00 1.53 0.00 -1.73 -2.39 119.26 117.76 3ceh h ALA 272 Ca 0.01 0.12 0.00 0.00 0.00 0.00 0.00 54.91 55.04 3ceh h ALA 272 Cb 0.14 0.23 0.00 0.00 0.00 0.00 0.00 17.79 18.16 3ceh h ALA 272 CO -0.00 -0.45 0.00 0.39 0.00 0.00 0.00 179.25 179.18 3ceh n GLU 273 N -5.25 0.05 0.17 0.00 1.02 -1.00 -2.52 120.64 113.11 3ceh n GLU 273 Ca 0.00 0.16 0.12 0.00 -0.02 0.00 0.00 57.16 57.42 3ceh n GLU 273 Cb 0.18 -1.50 0.62 0.00 -0.02 0.00 0.00 31.44 30.71 3ceh n GLU 273 CO 0.00 0.00 0.00 -0.91 1.18 0.00 0.00 177.13 177.40 3ceh h ASN 274 N 0.00 0.00 -0.09 1.62 -0.26 -0.25 -3.27 115.58 113.33 3ceh h ASN 274 Ca 0.00 0.00 -0.09 0.00 -0.56 0.00 0.00 56.30 55.65 3ceh h ASN 274 Cb 0.31 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 37.57 3ceh h ASN 274 CO 0.00 0.00 -0.28 0.40 -1.06 0.00 0.00 177.43 176.49 3ceh h ILE 275 N 0.00 1.40 -0.55 2.81 2.04 -1.66 -2.31 117.51 119.24 3ceh h ILE 275 Ca 0.00 -1.62 -0.32 0.00 1.00 0.00 0.00 64.86 63.92 3ceh h ILE 275 Cb 0.10 2.21 -0.17 0.00 -0.74 0.00 0.00 36.82 38.22 3ceh h ILE 275 CO 0.00 0.47 0.41 -1.54 0.00 0.00 0.00 178.15 177.49 3ceh n SER 276 N -4.45 4.75 0.03 1.72 3.41 -1.23 -4.56 113.62 113.28 3ceh n SER 276 Ca -0.08 -3.00 -0.22 0.00 -0.26 0.00 0.00 58.87 55.31 3ceh n SER 276 Cb 0.47 -0.84 -0.14 0.00 -0.26 0.00 0.00 64.21 63.44 3ceh n SER 276 CO 0.00 0.00 0.00 -0.09 -0.16 0.00 0.00 175.04 174.79 3ceh h ARG 277 N 0.96 0.30 -2.67 4.33 2.43 -1.56 -2.40 114.38 115.78 3ceh h ARG 277 Ca 0.35 -0.51 -0.12 0.00 -0.81 0.00 0.00 59.98 58.88 3ceh h ARG 277 Cb 1.57 0.19 -0.26 0.00 -0.42 0.00 0.00 29.97 31.04 3ceh h ARG 277 CO 0.72 1.25 -0.30 0.54 -1.51 0.00 0.00 179.97 180.67 3ceh s VAL 278 N -2.54 -0.02 0.17 0.20 0.11 -1.26 -0.60 120.40 116.46 3ceh s VAL 278 Ca -0.20 0.09 -0.31 0.00 -2.93 0.00 0.00 61.98 58.63 3ceh s VAL 278 Cb 0.05 -0.60 -0.09 0.00 -1.53 0.00 0.00 36.38 34.21 3ceh s VAL 278 CO 0.79 0.04 1.47 -0.22 -3.33 0.00 0.00 175.10 173.85 3ceh s LEU 279 N 1.30 4.38 0.08 2.54 2.96 0.08 -4.96 118.68 125.05 3ceh s LEU 279 Ca -0.09 2.54 -0.31 0.00 -0.22 0.00 0.00 54.13 56.05 3ceh s LEU 279 Cb -0.08 -3.60 -0.09 0.00 0.50 0.00 0.00 46.19 42.92 3ceh s LEU 279 CO -0.11 -0.73 1.73 -0.31 -1.32 0.00 0.00 176.35 175.60 3ceh s TYR 280 N 0.80 2.26 -0.41 5.38 2.02 -1.26 -4.80 117.35 121.34 3ceh s TYR 280 Ca 0.65 0.16 0.06 0.00 -0.37 0.00 0.00 57.07 57.57 3ceh s TYR 280 Cb -0.41 -4.05 0.47 0.00 -0.40 0.00 0.00 41.96 37.57 3ceh s TYR 280 CO 0.34 -4.30 1.43 -0.35 -1.57 0.00 0.00 175.55 171.10 3ceh n PRO 281 N 5.76 2.68 -3.09 -1.71 -0.04 -1.26 -4.90 135.00 132.44 3ceh n PRO 281 Ca 0.17 -1.95 -0.40 0.00 -0.04 0.00 0.00 63.50 61.28 3ceh n PRO 281 Cb 0.40 -1.87 -0.05 0.00 -0.04 0.00 0.00 33.50 31.93 3ceh n PRO 281 CO 0.00 0.00 0.00 -0.80 -0.04 0.00 0.00 175.50 174.66 3ceh s ASN 282 N -0.47 6.80 -0.27 3.54 0.01 -1.26 -4.48 114.94 118.80 3ceh s ASN 282 Ca 0.35 0.97 -0.11 0.00 -0.71 0.00 0.00 52.86 53.36 3ceh s ASN 282 Cb 0.28 -2.37 -0.05 0.00 0.41 0.00 0.00 41.25 39.52 3ceh s ASN 282 CO 0.09 -0.22 0.20 -0.62 -1.51 0.00 0.00 177.10 175.04 3ceh s ASP 283 N 1.03 6.05 -1.57 -1.22 -1.08 -1.26 -4.53 116.67 114.09 3ceh s ASP 283 Ca 0.32 0.03 -0.05 0.00 -0.52 0.00 0.00 52.55 52.33 3ceh s ASP 283 Cb -0.16 -2.13 0.01 0.00 -1.46 0.00 0.00 42.92 39.18 3ceh s ASP 283 CO 0.13 -0.05 0.61 0.59 0.52 0.00 0.00 175.17 176.96 3ceh n ASN 284 N 5.00 -6.18 -3.69 -0.34 3.02 -1.26 -4.99 115.26 106.81 3ceh n ASN 284 Ca -0.14 -0.29 -0.14 0.00 -0.03 0.00 0.00 54.58 53.99 3ceh n ASN 284 Cb 0.52 -5.00 -0.14 0.00 -0.61 0.00 0.00 39.78 34.55 3ceh n ASN 284 CO 0.00 0.00 0.00 0.12 -2.62 0.00 0.00 177.26 174.76 3ceh s PHE 285 N -3.19 -0.28 -0.06 3.10 5.36 -1.26 -4.01 117.98 117.65 3ceh s PHE 285 Ca 0.30 0.73 -0.27 0.00 -0.96 0.00 0.00 56.93 56.73 3ceh s PHE 285 Cb -0.13 -0.09 -0.03 0.00 -0.34 0.00 0.00 43.02 42.43 3ceh s PHE 285 CO 0.37 -0.27 0.88 0.12 -1.46 0.00 0.00 175.22 174.86 3ceh s PHE 286 N 1.89 3.58 -0.27 10.12 5.36 0.20 -4.85 117.98 134.01 3ceh s PHE 286 Ca -0.02 1.49 0.00 0.00 -0.96 0.00 0.00 56.93 57.43 3ceh s PHE 286 Cb -0.12 -3.02 0.08 0.00 -0.34 0.00 0.00 43.02 39.62 3ceh s PHE 286 CO -0.07 -0.04 0.02 -2.00 -1.46 0.00 0.00 175.22 171.67 3ceh s GLU 287 N 1.23 1.20 -0.48 10.12 2.12 -1.26 -4.91 118.70 126.71 3ceh s GLU 287 Ca 0.45 -1.06 -0.05 0.00 0.36 0.00 0.00 54.97 54.68 3ceh s GLU 287 Cb -0.19 -2.43 -0.12 0.00 0.26 0.00 0.00 34.13 31.65 3ceh s GLU 287 CO 0.21 -0.77 2.35 0.41 -0.54 0.00 0.00 175.26 176.93 3ceh n GLY 288 N 4.72 2.73 3.80 -1.50 0.00 -1.26 -4.91 105.19 108.77 3ceh n GLY 288 Ca -0.06 -0.84 -0.36 0.00 0.00 0.00 0.00 46.02 44.76 3ceh n GLY 288 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3ceh s LYS 289 N 2.45 4.40 0.14 1.61 -0.14 -1.26 -5.00 119.74 121.93 3ceh s LYS 289 Ca 0.43 1.14 -0.17 0.00 -1.36 0.00 0.00 55.97 56.00 3ceh s LYS 289 Cb 0.16 -2.66 -0.02 0.00 -1.68 0.00 0.00 37.83 33.63 3ceh s LYS 289 CO -0.02 0.23 1.76 1.49 -0.76 0.00 0.00 175.35 178.06 3ceh h GLU 290 N 2.90 0.46 -0.89 1.68 4.81 -2.01 -2.69 114.58 118.84 3ceh h GLU 290 Ca -0.48 -0.04 0.16 0.00 -0.13 0.00 0.00 59.36 58.87 3ceh h GLU 290 Cb 1.19 -0.10 -0.07 0.00 0.63 0.00 0.00 28.75 30.40 3ceh h GLU 290 CO 0.64 0.35 0.58 1.25 -0.73 0.00 0.00 179.01 181.10 3ceh h LEU 291 N 0.43 0.59 -0.53 1.64 5.85 -1.99 0.18 115.31 121.48 3ceh h LEU 291 Ca 0.12 0.04 -0.13 0.00 0.84 0.00 0.00 57.88 58.75 3ceh h LEU 291 Cb 0.02 -0.07 -0.01 0.00 0.37 0.00 0.00 40.66 40.96 3ceh h LEU 291 CO -0.02 0.28 -0.23 -0.09 -0.34 0.00 0.00 178.44 178.04 3ceh h ARG 292 N 0.61 0.95 -0.54 1.25 9.65 -1.89 0.26 114.38 124.68 3ceh h ARG 292 Ca 0.46 -0.41 -0.04 0.00 -1.10 0.00 0.00 59.98 58.89 3ceh h ARG 292 Cb 0.84 -0.03 -0.02 0.00 -1.39 0.00 0.00 29.97 29.36 3ceh h ARG 292 CO -0.21 1.07 0.17 1.25 2.80 0.00 0.00 179.97 185.06 3ceh h LEU 293 N 0.82 0.79 -0.40 3.80 5.85 -0.69 -2.06 115.31 123.43 3ceh h LEU 293 Ca 0.11 -0.21 0.02 0.00 0.84 0.00 0.00 57.88 58.64 3ceh h LEU 293 Cb 0.79 -0.21 -0.03 0.00 0.37 0.00 0.00 40.66 41.59 3ceh h LEU 293 CO 0.07 0.78 0.23 0.11 -0.34 0.00 0.00 178.44 179.29 3ceh h LYS 294 N 0.75 0.46 -0.82 1.25 1.57 -0.71 -1.29 116.57 117.78 3ceh h LYS 294 Ca 0.17 -0.03 0.17 0.00 -1.87 0.00 0.00 60.65 59.10 3ceh h LYS 294 Cb 0.28 -0.10 -0.11 0.00 0.08 0.00 0.00 32.23 32.38 3ceh h LYS 294 CO -0.01 0.30 0.34 1.96 -0.57 0.00 0.00 179.45 181.47 3ceh h GLN 295 N 0.47 0.42 -0.28 3.15 4.20 -0.27 -0.58 115.11 122.22 3ceh h GLN 295 Ca 0.16 -0.03 -0.18 0.00 0.06 0.00 0.00 58.65 58.66 3ceh h GLN 295 Cb 0.01 -0.10 -0.00 0.00 0.30 0.00 0.00 27.48 27.69 3ceh h GLN 295 CO -0.07 0.28 -0.53 0.93 -0.67 0.00 0.00 178.83 178.76 3ceh h GLU 296 N 0.44 0.82 -0.16 1.46 5.08 -0.54 -1.91 114.58 119.77 3ceh h GLU 296 Ca 0.47 -0.51 -0.17 0.00 -1.00 0.00 0.00 59.36 58.15 3ceh h GLU 296 Cb 0.78 0.06 0.01 0.00 0.50 0.00 0.00 28.75 30.09 3ceh h GLU 296 CO -0.45 1.14 -0.56 -0.92 -1.00 0.00 0.00 179.01 177.22 3ceh h TYR 297 N 0.64 0.87 -0.31 4.33 3.20 -1.08 -2.75 116.97 121.86 3ceh h TYR 297 Ca 0.02 -0.36 0.06 0.00 3.14 0.00 0.00 58.73 61.59 3ceh h TYR 297 Cb 1.13 -0.14 -0.08 0.00 1.54 0.00 0.00 36.73 39.17 3ceh h TYR 297 CO 0.07 1.15 -0.39 0.35 -1.64 0.00 0.00 178.16 177.70 3ceh h PHE 298 N 0.34 -1.11 -0.32 -3.82 3.57 -0.90 1.22 116.94 115.92 3ceh h PHE 298 Ca -0.02 0.06 -0.12 0.00 3.53 0.00 0.00 57.97 61.41 3ceh h PHE 298 Cb 1.18 0.53 -0.01 0.00 2.79 0.00 0.00 35.95 40.44 3ceh h PHE 298 CO 0.10 -0.43 -0.29 -0.24 -2.23 0.00 0.00 178.31 175.22 3ceh h VAL 299 N -0.36 1.28 -0.00 1.41 3.04 -1.45 -2.89 116.25 117.29 3ceh h VAL 299 Ca 0.13 -1.40 -0.00 0.00 -1.01 0.00 0.00 66.70 64.42 3ceh h VAL 299 Cb 0.58 1.34 -0.00 0.00 -2.01 0.00 0.00 31.29 31.20 3ceh h VAL 299 CO -0.50 0.46 0.00 0.58 -1.01 0.00 0.00 177.57 177.10 3ceh h VAL 300 N 0.57 1.23 -0.32 1.51 2.07 -0.92 -2.76 116.25 117.63 3ceh h VAL 300 Ca 0.07 -0.66 0.01 0.00 0.82 0.00 0.00 66.70 66.94 3ceh h VAL 300 Cb 0.78 1.67 -0.02 0.00 -1.52 0.00 0.00 31.29 32.20 3ceh h VAL 300 CO 0.06 0.17 0.19 0.00 0.02 0.00 0.00 177.57 178.02 3ceh h ALA 301 N 0.72 0.40 -0.13 1.67 0.00 0.15 0.34 119.26 122.41 3ceh h ALA 301 Ca 0.00 -0.01 -0.18 0.00 0.00 0.00 0.00 54.91 54.73 3ceh h ALA 301 Cb 0.28 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 17.97 3ceh h ALA 301 CO 0.00 -0.17 -0.65 0.00 0.00 0.00 0.00 179.25 178.43 3ceh h ALA 302 N 1.14 0.62 -0.02 0.00 0.00 -1.61 -2.36 119.26 117.04 3ceh h ALA 302 Ca 0.13 -0.56 -0.00 0.00 0.00 0.00 0.00 54.91 54.47 3ceh h ALA 302 Cb -0.01 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 17.72 3ceh h ALA 302 CO -0.05 0.72 0.00 1.15 0.00 0.00 0.00 179.25 181.07 3ceh h THR 303 N 0.36 1.21 -0.86 0.00 2.02 -1.26 -1.67 112.91 112.70 3ceh h THR 303 Ca -0.02 -0.63 0.03 0.00 0.77 0.00 0.00 66.41 66.57 3ceh h THR 303 Cb 1.22 1.60 -0.05 0.00 -1.74 0.00 0.00 68.15 69.18 3ceh h THR 303 CO 0.12 0.17 0.56 -0.07 0.37 0.00 0.00 175.52 176.67 3ceh h LEU 304 N -0.22 0.93 0.55 2.58 3.38 -0.87 -0.59 115.31 121.06 3ceh h LEU 304 Ca 0.01 -0.01 -0.03 0.00 0.09 0.00 0.00 57.88 57.94 3ceh h LEU 304 Cb 0.27 -0.22 0.01 0.00 0.09 0.00 0.00 40.66 40.81 3ceh h LEU 304 CO 0.00 0.64 -0.26 1.56 0.09 0.00 0.00 178.44 180.47 3ceh h GLN 305 N 1.08 -0.71 -1.02 1.13 4.20 -1.32 -1.95 115.11 116.52 3ceh h GLN 305 Ca 0.34 0.05 0.34 0.00 0.06 0.00 0.00 58.65 59.44 3ceh h GLN 305 Cb 0.01 0.16 -0.15 0.00 0.30 0.00 0.00 27.48 27.80 3ceh h GLN 305 CO -0.10 -0.40 0.58 0.22 -0.67 0.00 0.00 178.83 178.46 3ceh h ASP 306 N -0.94 0.47 -0.12 1.46 3.58 -1.01 0.50 116.42 120.36 3ceh h ASP 306 Ca -0.07 0.20 -0.09 0.00 0.42 0.00 0.00 57.03 57.48 3ceh h ASP 306 Cb 0.63 0.16 0.00 0.00 1.72 0.00 0.00 39.33 41.84 3ceh h ASP 306 CO 0.12 -0.19 -0.29 0.40 -2.88 0.00 0.00 179.24 176.40 3ceh h ILE 307 N 0.26 1.38 0.22 2.25 2.04 -0.82 -1.61 117.51 121.22 3ceh h ILE 307 Ca 0.76 -1.59 -0.01 0.00 1.00 0.00 0.00 64.86 65.02 3ceh h ILE 307 Cb 1.82 2.10 0.00 0.00 -0.74 0.00 0.00 36.82 40.00 3ceh h ILE 307 CO -0.62 0.47 -0.11 0.40 0.00 0.00 0.00 178.15 178.29 3ceh h ILE 308 N -0.01 0.82 -0.82 -0.67 2.04 -0.57 -1.53 117.51 116.76 3ceh h ILE 308 Ca -0.00 -0.19 0.20 0.00 1.00 0.00 0.00 64.86 65.87 3ceh h ILE 308 Cb 0.90 0.93 -0.13 0.00 -0.74 0.00 0.00 36.82 37.78 3ceh h ILE 308 CO 0.06 0.04 0.22 -0.09 0.00 0.00 0.00 178.15 178.39 3ceh h ARG 309 N -0.39 0.25 -0.29 2.37 2.43 -0.03 -0.04 114.38 118.68 3ceh h ARG 309 Ca -0.03 -0.02 -0.18 0.00 -0.81 0.00 0.00 59.98 58.94 3ceh h ARG 309 Cb 0.30 -0.06 0.00 0.00 -0.42 0.00 0.00 29.97 29.79 3ceh h ARG 309 CO 0.05 0.17 -0.52 -0.09 -1.51 0.00 0.00 179.97 178.07 3ceh h ARG 310 N 0.26 0.87 -0.29 0.20 2.43 -0.99 -1.01 114.38 115.86 3ceh h ARG 310 Ca 0.49 -0.55 -0.06 0.00 -0.81 0.00 0.00 59.98 59.06 3ceh h ARG 310 Cb 0.91 0.06 -0.01 0.00 -0.42 0.00 0.00 29.97 30.52 3ceh h ARG 310 CO -0.58 1.18 -0.04 0.35 -1.51 0.00 0.00 179.97 179.38 3ceh h PHE 311 N 0.66 0.60 -0.37 2.20 3.57 -0.37 -2.58 116.94 120.65 3ceh h PHE 311 Ca 0.02 -0.12 -0.02 0.00 3.53 0.00 0.00 57.97 61.38 3ceh h PHE 311 Cb 1.13 -0.15 -0.02 0.00 2.79 0.00 0.00 35.95 39.70 3ceh h PHE 311 CO 0.07 0.71 0.13 0.87 -2.23 0.00 0.00 178.31 177.86 3ceh h LYS 312 N 0.31 0.53 -0.00 1.11 1.57 -1.01 -2.71 116.57 116.37 3ceh h LYS 312 Ca 0.08 -0.07 0.00 0.00 -1.87 0.00 0.00 60.65 58.79 3ceh h LYS 312 Cb 0.50 -0.10 0.00 0.00 0.08 0.00 0.00 32.23 32.71 3ceh h LYS 312 CO 0.02 0.45 -0.01 0.00 -0.57 0.00 0.00 179.45 179.34 3ceh n ALA 313 N -2.48 2.66 -2.86 3.86 0.00 -0.39 -4.84 120.51 116.46 3ceh n ALA 313 Ca 0.02 -0.24 -0.26 0.00 0.00 0.00 0.00 53.44 52.97 3ceh n ALA 313 Cb 0.15 -1.44 -0.04 0.00 0.00 0.00 0.00 19.45 18.12 3ceh n ALA 313 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 3ceh s SER 314 N -2.12 5.87 0.00 0.00 1.04 -1.02 -4.99 113.70 112.47 3ceh s SER 314 Ca 0.42 -0.01 0.00 0.00 0.48 0.00 0.00 55.95 56.84 3ceh s SER 314 Cb 0.21 -1.64 0.00 0.00 0.10 0.00 0.00 66.02 64.70 3ceh s SER 314 CO 0.39 0.05 0.00 0.29 0.98 0.00 0.00 173.24 174.95 3ceh n LYS 315 N -0.52 0.00 -1.87 4.02 4.01 -1.26 -4.98 118.16 117.57 3ceh n LYS 315 Ca -0.08 0.00 -0.30 0.00 -0.51 0.00 0.00 58.31 57.43 3ceh n LYS 315 Cb 0.55 0.00 0.17 0.00 -0.51 0.00 0.00 35.03 35.24 3ceh n LYS 315 CO 0.00 0.00 0.00 -0.06 -1.11 0.00 0.00 177.40 176.23 3ceh s PHE 316 N -0.82 1.74 0.00 2.13 0.40 -1.26 -5.12 117.98 115.04 3ceh s PHE 316 Ca 0.00 0.40 0.00 0.00 -0.60 0.00 0.00 56.93 56.73 3ceh s PHE 316 Cb 0.00 -3.98 0.00 0.00 0.51 0.00 0.00 43.02 39.55 3ceh s PHE 316 CO 0.00 -2.60 0.00 0.25 0.70 0.00 0.00 175.22 173.57 3ceh n THR 324 N -3.77 0.00 0.30 0.64 -2.24 -1.26 -4.72 114.28 103.23 3ceh n THR 324 Ca 0.14 0.00 0.16 0.00 -2.27 0.00 0.00 64.05 62.07 3ceh n THR 324 Cb 0.60 0.00 0.73 0.00 -2.10 0.00 0.00 70.33 69.56 3ceh n THR 324 CO 0.00 0.00 0.00 -0.37 -0.57 0.00 0.00 175.07 174.13 3ceh h VAL 325 N 0.69 0.00 0.00 2.28 -1.51 -2.05 -3.03 116.25 112.63 3ceh h VAL 325 Ca 0.00 -0.20 0.00 0.00 -1.23 0.00 0.00 66.70 65.27 3ceh h VAL 325 Cb 0.00 1.00 0.00 0.00 -2.13 0.00 0.00 31.29 30.16 3ceh h VAL 325 CO 0.00 0.00 0.00 0.49 -1.23 0.00 0.00 177.57 176.83 3ceh n PHE 326 N -2.65 0.00 0.28 5.19 3.01 -1.26 -3.07 117.46 118.97 3ceh n PHE 326 Ca -0.00 0.00 0.17 0.00 1.01 0.00 0.00 57.45 58.63 3ceh n PHE 326 Cb 0.17 -0.12 0.80 0.00 -0.01 0.00 0.00 39.48 40.32 3ceh n PHE 326 CO 0.00 0.00 0.00 -0.44 1.01 0.00 0.00 176.76 177.33 3ceh h ASP 327 N 0.00 0.00 0.66 4.37 3.32 -2.00 -2.94 116.42 119.83 3ceh h ASP 327 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 3ceh h ASP 327 Cb 0.02 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.57 3ceh h ASP 327 CO 0.00 0.05 -0.90 0.00 -1.72 0.00 0.00 179.24 176.67 3ceh n ALA 328 N -2.14 3.08 -0.40 3.45 0.00 -1.17 -4.52 120.51 118.81 3ceh n ALA 328 Ca -0.01 -0.32 -0.06 0.00 0.00 0.00 0.00 53.44 53.05 3ceh n ALA 328 Cb 0.25 -1.06 -0.03 0.00 0.00 0.00 0.00 19.45 18.60 3ceh n ALA 328 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 3ceh n PHE 329 N -2.13 -0.21 1.07 0.00 7.35 -1.11 0.19 117.46 122.62 3ceh n PHE 329 Ca 0.02 1.22 0.10 0.00 -0.76 0.00 0.00 57.45 58.02 3ceh n PHE 329 Cb 0.46 -0.72 0.54 0.00 0.35 0.00 0.00 39.48 40.11 3ceh n PHE 329 CO 0.00 0.00 0.00 -2.30 -0.76 0.00 0.00 176.76 173.70 3ceh n PRO 330 N -5.33 0.43 0.00 -7.13 -0.02 -1.26 0.06 135.00 121.75 3ceh n PRO 330 Ca 0.06 0.06 0.12 0.00 -2.02 0.00 0.00 63.50 61.72 3ceh n PRO 330 Cb 0.32 -1.50 0.24 0.00 -0.02 0.00 0.00 33.50 32.54 3ceh n PRO 330 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 3ceh n ASP 331 N -1.17 0.98 0.00 2.55 8.00 0.51 -4.22 116.55 123.20 3ceh n ASP 331 Ca 0.12 -0.78 0.00 0.00 0.71 0.00 0.00 54.79 54.84 3ceh n ASP 331 Cb 0.12 0.30 0.00 0.00 -0.02 0.00 0.00 41.12 41.52 3ceh n ASP 331 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3ceh n GLN 332 N -0.93 -0.08 -3.77 -1.24 1.13 0.29 -4.49 117.38 108.30 3ceh n GLN 332 Ca 0.09 -0.37 -0.13 0.00 -1.94 0.00 0.00 57.00 54.65 3ceh n GLN 332 Cb 0.36 -0.86 -0.13 0.00 0.11 0.00 0.00 30.24 29.71 3ceh n GLN 332 CO 0.00 0.00 0.00 0.08 -1.44 0.00 0.00 177.06 175.70 3ceh s VAL 333 N -0.09 -0.03 -0.05 5.09 1.01 0.11 -2.39 120.40 124.04 3ceh s VAL 333 Ca 0.00 0.10 0.02 0.00 0.00 0.00 0.00 61.98 62.10 3ceh s VAL 333 Cb 0.00 -0.29 0.01 0.00 0.00 0.00 0.00 36.38 36.10 3ceh s VAL 333 CO 0.00 0.04 -0.10 0.00 0.00 0.00 0.00 175.10 175.04 3ceh s ALA 334 N 0.75 1.08 -0.24 5.51 0.00 -0.70 -4.57 121.76 123.59 3ceh s ALA 334 Ca -0.05 -0.32 0.01 0.00 0.00 0.00 0.00 51.96 51.60 3ceh s ALA 334 Cb -0.07 -0.50 0.06 0.00 0.00 0.00 0.00 23.12 22.61 3ceh s ALA 334 CO -0.04 0.10 -0.07 0.42 0.00 0.00 0.00 175.76 176.16 3ceh s ILE 335 N 0.64 1.72 -0.23 0.00 1.01 -0.64 0.03 121.20 123.74 3ceh s ILE 335 Ca -0.12 -1.31 -0.23 0.00 0.00 0.00 0.00 60.65 58.99 3ceh s ILE 335 Cb -0.15 -1.92 -0.01 0.00 0.01 0.00 0.00 42.46 40.39 3ceh s ILE 335 CO 0.02 -0.05 0.75 -1.58 0.00 0.00 0.00 174.94 174.09 3ceh s GLN 336 N 1.31 4.19 -0.31 2.79 2.00 -0.81 -1.37 119.66 127.46 3ceh s GLN 336 Ca -0.06 0.82 -0.26 0.00 -2.00 0.00 0.00 55.36 53.85 3ceh s GLN 336 Cb -0.19 -3.63 0.01 0.00 0.80 0.00 0.00 33.01 30.00 3ceh s GLN 336 CO -0.06 -0.43 0.95 -0.51 -0.50 0.00 0.00 175.29 174.74 3ceh s LEU 337 N 2.53 4.01 -1.22 3.68 1.02 0.16 -1.76 118.68 127.11 3ceh s LEU 337 Ca 0.32 0.87 -0.17 0.00 0.02 0.00 0.00 54.13 55.18 3ceh s LEU 337 Cb -0.16 -3.33 0.11 0.00 0.02 0.00 0.00 46.19 42.83 3ceh s LEU 337 CO 0.09 -0.76 1.56 0.21 0.02 0.00 0.00 176.35 177.47 3ceh s ASN 338 N 1.63 6.88 0.46 2.29 2.47 -0.70 -1.44 114.94 126.54 3ceh s ASN 338 Ca 0.39 -2.54 0.00 0.00 0.42 0.00 0.00 52.86 51.13 3ceh s ASN 338 Cb -0.13 -2.50 0.00 0.00 -1.45 0.00 0.00 41.25 37.17 3ceh s ASN 338 CO 0.14 -1.03 0.00 -0.67 -3.72 0.00 0.00 177.10 171.82 3ceh n ASP 339 N 7.28 -3.10 0.06 -4.21 -0.08 -0.77 -4.24 116.55 111.49 3ceh n ASP 339 Ca 0.41 0.08 0.13 0.00 -1.51 0.00 0.00 54.79 53.90 3ceh n ASP 339 Cb 0.45 -0.22 0.49 0.00 2.34 0.00 0.00 41.12 44.19 3ceh n ASP 339 CO 0.00 0.00 0.00 0.35 0.12 0.00 0.00 177.20 177.67 3ceh n THR 340 N -1.15 0.37 -0.26 5.18 -2.24 -1.26 -4.04 114.28 110.88 3ceh n THR 340 Ca 0.00 -0.15 0.03 0.00 -2.27 0.00 0.00 64.05 61.66 3ceh n THR 340 Cb 0.03 -0.57 0.12 0.00 -2.10 0.00 0.00 70.33 67.80 3ceh n THR 340 CO 0.00 0.00 0.00 0.45 -0.57 0.00 0.00 175.07 174.95 3ceh h HIS 341 N 0.00 -0.29 -0.60 4.78 3.86 -1.97 0.79 115.15 121.72 3ceh h HIS 341 Ca 0.00 0.06 -0.38 0.00 -1.16 0.00 0.00 60.37 58.89 3ceh h HIS 341 Cb 0.63 0.25 -0.16 0.00 1.06 0.00 0.00 27.41 29.18 3ceh h HIS 341 CO 0.00 -0.31 0.47 -0.35 0.86 0.00 0.00 177.93 178.61 3ceh n PRO 342 N -5.46 1.97 -0.17 2.45 -0.04 -1.26 -4.55 135.00 127.94 3ceh n PRO 342 Ca 0.12 -1.85 -0.11 0.00 -0.04 0.00 0.00 63.50 61.62 3ceh n PRO 342 Cb 0.42 -1.75 0.00 0.00 -0.04 0.00 0.00 33.50 32.14 3ceh n PRO 342 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3ceh h ALA 343 N 1.69 0.69 -0.19 0.55 0.00 0.36 -2.39 119.26 119.97 3ceh h ALA 343 Ca 0.34 -0.37 0.05 0.00 0.00 0.00 0.00 54.91 54.94 3ceh h ALA 343 Cb 0.88 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.49 3ceh h ALA 343 CO 0.87 0.63 0.57 -0.07 0.00 0.00 0.00 179.25 181.25 3ceh h LEU 344 N 0.84 0.00 -1.81 0.00 3.38 -1.81 -1.66 115.31 114.25 3ceh h LEU 344 Ca 0.12 0.00 0.11 0.00 0.09 0.00 0.00 57.88 58.21 3ceh h LEU 344 Cb 0.73 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.46 3ceh h LEU 344 CO 0.06 0.00 0.53 0.00 0.09 0.00 0.00 178.44 179.12 3ceh h ALA 345 N 1.04 2.07 0.10 1.53 0.00 -1.77 0.81 119.26 123.04 3ceh h ALA 345 Ca 0.09 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.98 3ceh h ALA 345 Cb 1.22 0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.04 3ceh h ALA 345 CO -0.00 -0.74 -0.05 0.82 0.00 0.00 0.00 179.25 179.28 3ceh h ILE 346 N 0.00 0.00 -0.20 0.00 2.04 -1.55 -2.17 117.51 115.63 3ceh h ILE 346 Ca 0.19 -0.59 0.06 0.00 1.00 0.00 0.00 64.86 65.52 3ceh h ILE 346 Cb 1.25 0.00 -0.01 0.00 -0.74 0.00 0.00 36.82 37.32 3ceh h ILE 346 CO -0.00 0.00 0.25 1.55 0.00 0.00 0.00 178.15 179.95 3ceh h PRO 347 N -0.73 0.00 0.03 2.37 0.13 -1.71 -2.53 132.00 129.57 3ceh h PRO 347 Ca -0.01 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 65.11 3ceh h PRO 347 Cb 0.11 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.24 3ceh h PRO 347 CO 0.02 0.00 -0.01 1.49 -0.23 0.00 0.00 178.00 179.27 3ceh h GLU 348 N 0.00 -0.04 -0.34 0.86 4.57 -0.89 0.23 114.58 118.98 3ceh h GLU 348 Ca 0.10 0.00 0.07 0.00 -1.18 0.00 0.00 59.36 58.35 3ceh h GLU 348 Cb 0.60 0.01 -0.07 0.00 -0.16 0.00 0.00 28.75 29.12 3ceh h GLU 348 CO -0.00 0.43 -0.16 1.25 -1.18 0.00 0.00 179.01 179.35 3ceh h LEU 349 N -0.52 -0.54 0.15 1.64 5.85 -1.16 0.12 115.31 120.86 3ceh h LEU 349 Ca -0.00 0.13 0.01 0.00 0.84 0.00 0.00 57.88 58.86 3ceh h LEU 349 Cb 0.48 0.30 -0.05 0.00 0.37 0.00 0.00 40.66 41.77 3ceh h LEU 349 CO 0.01 -0.19 -0.49 0.24 -0.34 0.00 0.00 178.44 177.66 3ceh h MET 350 N -0.10 -0.72 -0.88 1.25 2.86 -1.53 0.34 114.93 116.14 3ceh h MET 350 Ca 0.17 0.05 0.17 0.00 -2.06 0.00 0.00 59.70 58.03 3ceh h MET 350 Cb 0.37 0.16 -0.16 0.00 0.06 0.00 0.00 31.60 32.03 3ceh h MET 350 CO -0.40 -0.48 -0.27 -0.09 1.06 0.00 0.00 176.91 176.72 3ceh h ARG 351 N -0.75 -0.02 -0.06 1.72 2.43 -0.30 0.10 114.38 117.51 3ceh h ARG 351 Ca -0.00 0.00 -0.00 0.00 -0.81 0.00 0.00 59.98 59.17 3ceh h ARG 351 Cb 0.75 0.00 -0.00 0.00 -0.42 0.00 0.00 29.97 30.30 3ceh h ARG 351 CO -0.26 -0.01 0.02 0.82 -1.51 0.00 0.00 179.97 179.03 3ceh h ILE 352 N -0.02 1.17 -0.20 1.20 2.04 -0.27 -0.96 117.51 120.47 3ceh h ILE 352 Ca 0.39 -0.50 0.01 0.00 1.00 0.00 0.00 64.86 65.76 3ceh h ILE 352 Cb 0.63 1.40 -0.01 0.00 -0.74 0.00 0.00 36.82 38.10 3ceh h ILE 352 CO -0.91 0.14 0.12 -0.26 0.00 0.00 0.00 178.15 177.23 3ceh h PHE 353 N -0.10 0.22 0.35 1.37 0.05 0.12 -1.73 116.94 117.22 3ceh h PHE 353 Ca 0.02 0.01 -0.02 0.00 3.82 0.00 0.00 57.97 61.80 3ceh h PHE 353 Cb 0.21 -0.07 0.00 0.00 2.00 0.00 0.00 35.95 38.09 3ceh h PHE 353 CO -0.01 0.13 -0.17 0.28 -0.18 0.00 0.00 178.31 178.37 3ceh h VAL 354 N 0.24 0.00 -0.02 -0.55 2.07 -0.93 -1.13 116.25 115.93 3ceh h VAL 354 Ca 0.08 -0.58 -0.15 0.00 0.82 0.00 0.00 66.70 66.88 3ceh h VAL 354 Cb -0.01 0.00 -0.02 0.00 -1.52 0.00 0.00 31.29 29.75 3ceh h VAL 354 CO -0.04 0.00 -0.65 0.44 0.02 0.00 0.00 177.57 177.34 3ceh h ASP 355 N -1.05 0.12 0.00 0.57 3.45 -1.25 -1.50 116.42 116.76 3ceh h ASP 355 Ca -0.05 -0.08 -0.22 0.00 0.43 0.00 0.00 57.03 57.11 3ceh h ASP 355 Cb 0.36 -0.04 -0.03 0.00 -0.56 0.00 0.00 39.33 39.06 3ceh h ASP 355 CO 0.08 0.74 -1.65 -0.38 -1.57 0.00 0.00 179.24 176.46 3ceh n ILE 356 N -3.80 1.17 0.66 0.35 5.41 -0.88 -4.55 119.36 117.72 3ceh n ILE 356 Ca -0.02 -0.12 0.11 0.00 1.00 0.00 0.00 62.75 63.73 3ceh n ILE 356 Cb 0.65 -1.87 0.46 0.00 -0.71 0.00 0.00 39.64 38.16 3ceh n ILE 356 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 176.55 175.93 3ceh n GLU 357 N -3.96 0.08 -2.67 0.38 -0.58 -0.70 -4.90 120.64 108.29 3ceh n GLU 357 Ca -0.29 0.20 -0.19 0.00 -0.42 0.00 0.00 57.16 56.45 3ceh n GLU 357 Cb 0.64 -1.62 0.01 0.00 -0.57 0.00 0.00 31.44 29.91 3ceh n GLU 357 CO 0.00 0.00 0.00 1.63 -0.48 0.00 0.00 177.13 178.28 3ceh n LYS 358 N -1.75 -3.04 -2.99 3.49 4.76 -0.56 -4.88 118.16 113.19 3ceh n LYS 358 Ca 0.05 0.85 -0.35 0.00 -2.87 0.00 0.00 58.31 55.99 3ceh n LYS 358 Cb 0.28 -5.45 -0.06 0.00 -1.84 0.00 0.00 35.03 27.95 3ceh n LYS 358 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 3ceh s LEU 359 N -5.69 4.20 0.18 -0.35 1.43 -0.52 -5.00 118.68 112.93 3ceh s LEU 359 Ca 0.15 1.53 -0.31 0.00 -1.03 0.00 0.00 54.13 54.47 3ceh s LEU 359 Cb -0.06 -3.99 -0.09 0.00 0.03 0.00 0.00 46.19 42.08 3ceh s LEU 359 CO 0.18 -0.12 1.40 -2.16 0.23 0.00 0.00 176.35 175.88 3ceh s PRO 360 N -2.47 4.31 0.29 1.29 0.04 -1.26 -4.34 135.00 132.86 3ceh s PRO 360 Ca 0.51 2.16 0.12 0.00 0.04 0.00 0.00 61.00 63.83 3ceh s PRO 360 Cb -0.14 -3.19 0.96 0.00 0.04 0.00 0.00 34.50 32.17 3ceh s PRO 360 CO 0.19 -0.40 1.29 1.87 0.04 0.00 0.00 177.00 179.99 3ceh n TRP 361 N 3.17 0.82 -0.13 0.56 -0.00 -1.26 -0.69 117.44 119.91 3ceh n TRP 361 Ca 0.09 0.97 -0.11 0.00 -0.00 0.00 0.00 57.50 58.45 3ceh n TRP 361 Cb 0.41 -1.30 -0.02 0.00 -0.00 0.00 0.00 31.31 30.40 3ceh n TRP 361 CO 0.00 0.00 0.00 0.66 -0.00 0.00 0.00 177.69 178.35 3ceh h SER 362 N 0.00 0.69 0.48 5.87 4.64 -1.99 -1.55 113.55 121.69 3ceh h SER 362 Ca 0.63 -0.34 -0.02 0.00 -0.47 0.00 0.00 61.79 61.59 3ceh h SER 362 Cb 1.59 -0.19 -0.01 0.00 -0.31 0.00 0.00 62.40 63.48 3ceh h SER 362 CO -0.67 0.87 -0.32 0.50 -0.87 0.00 0.00 176.83 176.34 3ceh h LYS 363 N 0.50 -0.75 -0.96 4.77 1.63 -1.29 0.02 116.57 120.50 3ceh h LYS 363 Ca 0.10 0.05 0.27 0.00 -0.85 0.00 0.00 60.65 60.22 3ceh h LYS 363 Cb 0.55 0.17 -0.14 0.00 -0.60 0.00 0.00 32.23 32.21 3ceh h LYS 363 CO 0.03 -0.50 0.47 0.00 -3.45 0.00 0.00 179.45 176.00 3ceh h ALA 364 N -0.33 1.67 0.07 5.00 0.00 -1.28 0.70 119.26 125.09 3ceh h ALA 364 Ca -0.05 0.18 -0.26 0.00 0.00 0.00 0.00 54.91 54.78 3ceh h ALA 364 Cb 0.64 0.16 0.01 0.00 0.00 0.00 0.00 17.79 18.60 3ceh h ALA 364 CO 0.04 -0.44 -1.11 2.35 0.00 0.00 0.00 179.25 180.10 3ceh h TRP 365 N 0.37 0.66 -0.05 0.00 2.91 -0.92 -0.61 115.95 118.31 3ceh h TRP 365 Ca 0.64 -0.41 0.03 0.00 1.13 0.00 0.00 58.89 60.29 3ceh h TRP 365 Cb 1.34 -0.05 -0.04 0.00 -0.51 0.00 0.00 29.16 29.89 3ceh h TRP 365 CO -0.09 1.26 -0.17 1.49 -1.03 0.00 0.00 178.44 179.90 3ceh h GLU 366 N 0.19 -0.25 -0.51 2.65 4.81 0.11 -2.18 114.58 119.41 3ceh h GLU 366 Ca -0.12 0.02 -0.09 0.00 -0.13 0.00 0.00 59.36 59.04 3ceh h GLU 366 Cb 1.78 0.06 -0.02 0.00 0.63 0.00 0.00 28.75 31.19 3ceh h GLU 366 CO 0.19 -0.16 -0.04 -0.07 -0.73 0.00 0.00 179.01 178.20 3ceh h LEU 367 N -0.25 0.86 0.52 1.64 3.38 -1.18 -1.82 115.31 118.45 3ceh h LEU 367 Ca 0.07 -0.24 -0.02 0.00 0.09 0.00 0.00 57.88 57.78 3ceh h LEU 367 Cb 0.35 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 40.86 3ceh h LEU 367 CO -0.20 0.95 -0.42 0.74 0.09 0.00 0.00 178.44 179.60 3ceh h THR 368 N 0.81 0.00 -0.88 0.22 2.02 -1.05 0.56 112.91 114.58 3ceh h THR 368 Ca 0.15 0.00 0.24 0.00 0.77 0.00 0.00 66.41 67.56 3ceh h THR 368 Cb 0.54 0.00 -0.14 0.00 -1.74 0.00 0.00 68.15 66.80 3ceh h THR 368 CO 0.03 0.00 0.22 1.56 0.37 0.00 0.00 175.52 177.70 3ceh h GLN 369 N -0.91 0.18 0.00 6.66 4.20 -1.26 0.11 115.11 124.09 3ceh h GLN 369 Ca -0.07 -0.01 0.00 0.00 0.06 0.00 0.00 58.65 58.63 3ceh h GLN 369 Cb 0.76 -0.04 0.00 0.00 0.30 0.00 0.00 27.48 28.50 3ceh h GLN 369 CO 0.00 0.12 0.00 0.87 -0.67 0.00 0.00 178.83 179.15 3ceh h LYS 370 N 0.19 0.00 0.09 1.46 1.57 -1.01 -2.60 116.57 116.27 3ceh h LYS 370 Ca 0.55 0.00 -0.16 0.00 -1.87 0.00 0.00 60.65 59.17 3ceh h LYS 370 Cb 1.12 0.00 0.01 0.00 0.08 0.00 0.00 32.23 33.44 3ceh h LYS 370 CO -0.67 0.00 -0.77 1.15 -0.57 0.00 0.00 179.45 178.58 3ceh h THR 371 N 0.00 1.44 -3.81 -0.16 2.02 0.15 -3.47 112.91 109.08 3ceh h THR 371 Ca 0.00 -2.43 -0.48 0.00 0.77 0.00 0.00 66.41 64.27 3ceh h THR 371 Cb 0.79 3.07 -0.02 0.00 -1.74 0.00 0.00 68.15 70.25 3ceh h THR 371 CO 0.00 0.66 0.17 -0.36 0.37 0.00 0.00 175.52 176.36 3ceh s PHE 372 N -2.38 3.38 0.03 3.16 0.40 -0.69 -1.62 117.98 120.26 3ceh s PHE 372 Ca -0.17 1.35 0.02 0.00 -0.60 0.00 0.00 56.93 57.53 3ceh s PHE 372 Cb 0.01 -2.64 -0.02 0.00 0.51 0.00 0.00 43.02 40.88 3ceh s PHE 372 CO 0.76 0.06 -0.07 0.00 0.70 0.00 0.00 175.22 176.67 3ceh s ALA 373 N -1.99 0.55 -0.10 5.36 0.00 -0.47 -2.36 121.76 122.75 3ceh s ALA 373 Ca 0.55 -0.64 0.03 0.00 0.00 0.00 0.00 51.96 51.91 3ceh s ALA 373 Cb -0.11 0.00 -0.00 0.00 0.00 0.00 0.00 23.12 23.01 3ceh s ALA 373 CO 0.17 0.02 -0.22 -0.47 0.00 0.00 0.00 175.76 175.26 3ceh s TYR 374 N -1.06 2.61 -0.29 0.00 5.04 -0.12 0.38 117.35 123.90 3ceh s TYR 374 Ca -0.07 -0.94 -0.07 0.00 -2.44 0.00 0.00 57.07 53.56 3ceh s TYR 374 Cb -0.08 -1.73 0.00 0.00 0.35 0.00 0.00 41.96 40.50 3ceh s TYR 374 CO 0.00 -0.36 0.07 0.99 -1.34 0.00 0.00 175.55 174.91 3ceh s THR 375 N 0.30 3.94 -0.19 4.34 2.01 -0.52 -1.48 115.64 124.04 3ceh s THR 375 Ca -0.16 -0.64 -0.20 0.00 0.31 0.00 0.00 61.69 61.00 3ceh s THR 375 Cb -0.17 -3.00 -0.03 0.00 0.01 0.00 0.00 72.50 69.30 3ceh s THR 375 CO 0.08 0.12 0.57 0.21 -0.69 0.00 0.00 174.62 174.91 3ceh s ASN 376 N 1.51 6.63 0.00 3.53 2.47 0.26 -1.86 114.94 127.48 3ceh s ASN 376 Ca 0.03 0.76 0.00 0.00 0.42 0.00 0.00 52.86 54.07 3ceh s ASN 376 Cb -0.17 -2.32 0.00 0.00 -1.45 0.00 0.00 41.25 37.31 3ceh s ASN 376 CO 0.02 -0.21 0.00 1.41 -3.72 0.00 0.00 177.10 174.60 3ceh n HIS 377 N 4.84 0.00 -3.37 0.43 8.25 -1.26 -4.19 115.22 119.93 3ceh n HIS 377 Ca -0.03 0.00 -0.35 0.00 -0.26 0.00 0.00 57.72 57.08 3ceh n HIS 377 Cb 0.50 0.00 -0.06 0.00 1.12 0.00 0.00 29.99 31.55 3ceh n HIS 377 CO 0.00 0.00 0.00 0.95 0.64 0.00 0.00 176.34 177.93 3ceh s THR 378 N -1.09 4.87 0.00 1.59 -4.23 -1.26 -4.63 115.64 110.89 3ceh s THR 378 Ca 0.00 0.81 0.00 0.00 -1.18 0.00 0.00 61.69 61.32 3ceh s THR 378 Cb 0.00 -3.73 0.00 0.00 1.34 0.00 0.00 72.50 70.11 3ceh s THR 378 CO 0.00 0.25 0.00 0.52 -0.54 0.00 0.00 174.62 174.85 3ceh n VAL 379 N 0.81 0.00 -3.61 2.29 0.31 -1.26 -5.03 118.33 111.84 3ceh n VAL 379 Ca -0.05 0.00 -0.37 0.00 -0.01 0.00 0.00 64.34 63.91 3ceh n VAL 379 Cb 0.52 -1.29 -0.06 0.00 -0.91 0.00 0.00 33.84 32.10 3ceh n VAL 379 CO 0.00 0.00 0.00 -0.76 -1.32 0.00 0.00 176.83 174.75 3ceh s LEU 380 N -5.78 4.43 0.13 7.52 1.02 -1.26 -4.97 118.68 119.77 3ceh s LEU 380 Ca 0.00 0.81 -0.03 0.00 0.02 0.00 0.00 54.13 54.93 3ceh s LEU 380 Cb 0.00 -2.56 0.22 0.00 0.02 0.00 0.00 46.19 43.87 3ceh s LEU 380 CO 0.00 0.31 0.69 -2.65 0.02 0.00 0.00 176.35 174.72 3ceh n PRO 381 N 1.63 -0.04 0.00 1.29 -0.01 -1.26 -0.39 135.00 136.22 3ceh n PRO 381 Ca -0.14 0.69 0.10 0.00 -0.01 0.00 0.00 63.50 64.14 3ceh n PRO 381 Cb 0.53 -1.03 0.46 0.00 -0.01 0.00 0.00 33.50 33.45 3ceh n PRO 381 CO 0.00 0.00 0.00 0.39 -0.01 0.00 0.00 175.50 175.88 3ceh n GLU 382 N -4.69 0.05 -0.02 -0.52 4.71 -1.26 -2.93 120.64 115.98 3ceh n GLU 382 Ca 0.07 0.13 -0.06 0.00 -0.01 0.00 0.00 57.16 57.30 3ceh n GLU 382 Cb 0.23 -1.50 -0.13 0.00 -1.01 0.00 0.00 31.44 29.03 3ceh n GLU 382 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 3ceh n ALA 383 N -1.47 1.65 -1.69 0.62 0.00 0.47 0.58 120.51 120.68 3ceh n ALA 383 Ca 0.06 -0.81 -0.59 0.00 0.00 0.00 0.00 53.44 52.09 3ceh n ALA 383 Cb 0.23 -0.74 -0.08 0.00 0.00 0.00 0.00 19.45 18.86 3ceh n ALA 383 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 3ceh n LEU 384 N -2.92 1.84 -4.62 0.00 -0.00 -1.15 -3.90 117.00 106.24 3ceh n LEU 384 Ca -0.18 1.11 -0.42 0.00 -0.00 0.00 0.00 56.01 56.52 3ceh n LEU 384 Cb 1.00 -1.07 -0.04 0.00 -0.00 0.00 0.00 43.42 43.32 3ceh n LEU 384 CO 0.44 -0.71 0.75 -1.61 -0.00 0.00 0.00 177.39 176.25 3ceh s GLU 385 N 2.76 4.02 -0.09 1.96 2.02 -1.26 -4.67 118.70 123.43 3ceh s GLU 385 Ca 0.98 0.81 0.01 0.00 0.02 0.00 0.00 54.97 56.78 3ceh s GLU 385 Cb -1.17 -3.73 0.02 0.00 0.10 0.00 0.00 34.13 29.35 3ceh s GLU 385 CO 0.67 -0.76 -0.10 1.03 0.02 0.00 0.00 175.26 176.12 3ceh s ARG 386 N 3.23 1.64 -0.17 1.61 3.00 -1.26 -3.13 118.95 123.88 3ceh s ARG 386 Ca 0.38 -0.34 -0.09 0.00 0.00 0.00 0.00 55.73 55.68 3ceh s ARG 386 Cb -0.13 -1.53 -0.05 0.00 0.00 0.00 0.00 34.95 33.24 3ceh s ARG 386 CO 0.13 -0.14 0.12 -1.58 0.00 0.00 0.00 175.30 173.84 3ceh s TRP 387 N 1.23 3.45 0.27 -0.53 0.52 -0.92 -4.84 118.94 118.12 3ceh s TRP 387 Ca -0.04 0.37 -0.30 0.00 0.02 0.00 0.00 56.10 56.15 3ceh s TRP 387 Cb -0.14 -2.07 -0.11 0.00 -1.15 0.00 0.00 33.47 30.00 3ceh s TRP 387 CO -0.03 0.43 1.51 -2.14 0.02 0.00 0.00 176.95 176.74 3ceh s PRO 388 N -0.13 4.20 0.27 4.98 0.02 -1.26 -0.42 135.00 142.67 3ceh s PRO 388 Ca 0.10 2.42 -0.00 0.00 0.02 0.00 0.00 61.00 63.54 3ceh s PRO 388 Cb -0.11 -3.07 0.51 0.00 0.02 0.00 0.00 34.50 31.84 3ceh s PRO 388 CO 0.00 -0.52 1.84 0.28 -0.33 0.00 0.00 177.00 178.27 3ceh h VAL 389 N 3.48 0.94 -0.51 3.83 2.07 -1.65 -2.20 116.25 122.21 3ceh h VAL 389 Ca -0.46 -0.34 0.07 0.00 0.82 0.00 0.00 66.70 66.79 3ceh h VAL 389 Cb 1.22 -0.13 -0.06 0.00 -1.52 0.00 0.00 31.29 30.80 3ceh h VAL 389 CO 0.79 0.18 0.17 0.44 0.02 0.00 0.00 177.57 179.17 3ceh h ASP 390 N 0.98 0.16 0.15 0.57 3.32 -1.89 -0.04 116.42 119.68 3ceh h ASP 390 Ca 0.47 0.07 -0.01 0.00 0.02 0.00 0.00 57.03 57.58 3ceh h ASP 390 Cb 0.43 0.06 0.00 0.00 0.22 0.00 0.00 39.33 40.03 3ceh h ASP 390 CO -0.25 0.12 -0.07 0.25 -1.72 0.00 0.00 179.24 177.56 3ceh h LEU 391 N 0.35 -0.17 -1.94 1.55 5.85 -1.88 -1.08 115.31 117.99 3ceh h LEU 391 Ca 0.25 -0.19 -0.01 0.00 0.84 0.00 0.00 57.88 58.77 3ceh h LEU 391 Cb 0.28 0.04 -0.00 0.00 0.37 0.00 0.00 40.66 41.35 3ceh h LEU 391 CO -0.26 0.09 -0.05 0.58 -0.34 0.00 0.00 178.44 178.46 3ceh h VAL 392 N -0.45 0.98 -0.08 1.05 2.07 -1.17 -1.88 116.25 116.78 3ceh h VAL 392 Ca -0.02 -0.19 -0.06 0.00 0.82 0.00 0.00 66.70 67.25 3ceh h VAL 392 Cb 0.35 1.10 0.00 0.00 -1.52 0.00 0.00 31.29 31.23 3ceh h VAL 392 CO 0.03 0.05 -0.18 -0.08 0.02 0.00 0.00 177.57 177.42 3ceh h GLU 393 N 0.00 0.25 -0.34 1.57 4.81 -0.71 -1.67 114.58 118.49 3ceh h GLU 393 Ca -0.00 -0.17 -0.13 0.00 -0.13 0.00 0.00 59.36 58.93 3ceh h GLU 393 Cb 0.10 0.02 -0.01 0.00 0.63 0.00 0.00 28.75 29.49 3ceh h GLU 393 CO 0.01 0.77 -0.33 -0.22 -0.73 0.00 0.00 179.01 178.51 3ceh h LYS 394 N -0.23 0.75 0.02 1.92 3.64 -1.06 -2.92 116.57 118.68 3ceh h LYS 394 Ca -0.00 -0.35 -0.29 0.00 -1.27 0.00 0.00 60.65 58.74 3ceh h LYS 394 Cb 0.77 -0.01 -0.04 0.00 -0.41 0.00 0.00 32.23 32.54 3ceh h LYS 394 CO 0.04 0.97 -1.67 1.25 -2.27 0.00 0.00 179.45 177.77 3ceh h LEU 395 N 0.63 0.05 -5.61 5.20 5.85 -1.45 -3.37 115.31 116.61 3ceh h LEU 395 Ca 0.07 -0.11 -0.41 0.00 0.84 0.00 0.00 57.88 58.27 3ceh h LEU 395 Cb 0.86 -0.02 -0.30 0.00 0.37 0.00 0.00 40.66 41.57 3ceh h LEU 395 CO 0.07 1.10 -0.88 0.18 -0.34 0.00 0.00 178.44 178.57 3ceh n LEU 396 N -3.13 -0.76 -0.35 2.25 4.77 -0.63 -1.43 117.00 117.73 3ceh n LEU 396 Ca -0.17 -4.30 0.10 0.00 -0.03 0.00 0.00 56.01 51.61 3ceh n LEU 396 Cb 1.04 0.76 0.29 0.00 -2.33 0.00 0.00 43.42 43.17 3ceh n LEU 396 CO 0.45 2.11 1.22 1.55 -1.33 0.00 0.00 177.39 181.40 3ceh h PRO 397 N 3.57 0.86 -0.50 3.23 0.13 -1.62 -1.09 132.00 136.57 3ceh h PRO 397 Ca 0.00 -0.05 -0.11 0.00 -0.87 0.00 0.00 66.00 64.97 3ceh h PRO 397 Cb 0.97 -0.19 -0.02 0.00 0.13 0.00 0.00 31.00 31.89 3ceh h PRO 397 CO 0.39 0.57 -0.13 -0.09 -0.23 0.00 0.00 178.00 178.50 3ceh h ARG 398 N 0.88 0.96 -0.35 0.86 9.65 -1.90 -1.04 114.38 123.44 3ceh h ARG 398 Ca 0.52 -0.36 -0.11 0.00 -1.10 0.00 0.00 59.98 58.93 3ceh h ARG 398 Cb 0.66 -0.06 -0.01 0.00 -1.39 0.00 0.00 29.97 29.17 3ceh h ARG 398 CO -0.30 1.03 -0.23 0.45 2.80 0.00 0.00 179.97 183.72 3ceh h HIS 399 N 0.85 0.78 0.18 2.20 3.86 -1.58 -0.87 115.15 120.58 3ceh h HIS 399 Ca 0.13 -0.17 -0.01 0.00 -1.16 0.00 0.00 60.37 59.16 3ceh h HIS 399 Cb 0.69 -0.19 0.00 0.00 1.06 0.00 0.00 27.41 28.97 3ceh h HIS 399 CO 0.04 0.86 -0.08 1.25 0.86 0.00 0.00 177.93 180.86 3ceh h LEU 400 N 0.61 -0.20 -0.49 2.43 5.85 -0.79 0.19 115.31 122.90 3ceh h LEU 400 Ca 0.09 -0.08 0.08 0.00 0.84 0.00 0.00 57.88 58.81 3ceh h LEU 400 Cb 0.71 0.05 -0.07 0.00 0.37 0.00 0.00 40.66 41.73 3ceh h LEU 400 CO 0.05 -0.05 0.11 -0.33 -0.34 0.00 0.00 178.44 177.88 3ceh h GLU 401 N -0.34 0.24 -0.01 1.25 5.08 -0.82 0.15 114.58 120.13 3ceh h GLU 401 Ca -0.02 -0.01 -0.06 0.00 -1.00 0.00 0.00 59.36 58.26 3ceh h GLU 401 Cb 0.27 -0.05 -0.01 0.00 0.50 0.00 0.00 28.75 29.45 3ceh h GLU 401 CO 0.04 0.16 -0.28 0.82 -1.00 0.00 0.00 179.01 178.75 3ceh h ILE 402 N 0.25 1.20 -0.16 3.13 2.04 -0.86 -0.80 117.51 122.31 3ceh h ILE 402 Ca 0.25 -0.97 -0.18 0.00 1.00 0.00 0.00 64.86 64.95 3ceh h ILE 402 Cb 0.32 1.51 0.01 0.00 -0.74 0.00 0.00 36.82 37.92 3ceh h ILE 402 CO -0.31 0.28 -0.61 0.40 0.00 0.00 0.00 178.15 177.90 3ceh h ILE 403 N 0.01 1.31 -0.24 -0.67 2.04 0.21 -0.65 117.51 119.52 3ceh h ILE 403 Ca -0.00 -1.85 0.00 0.00 1.00 0.00 0.00 64.86 64.01 3ceh h ILE 403 Cb 0.50 2.00 -0.01 0.00 -0.74 0.00 0.00 36.82 38.57 3ceh h ILE 403 CO 0.04 0.58 0.15 1.88 0.00 0.00 0.00 178.15 180.80 3ceh h TYR 404 N 0.39 0.31 -0.34 1.37 0.05 -0.88 0.89 116.97 118.75 3ceh h TYR 404 Ca -0.03 0.00 0.03 0.00 0.05 0.00 0.00 58.73 58.79 3ceh h TYR 404 Cb 1.24 -0.10 -0.03 0.00 1.01 0.00 0.00 36.73 38.85 3ceh h TYR 404 CO 0.09 0.21 0.14 1.49 -1.05 0.00 0.00 178.16 179.04 3ceh h GLU 405 N 0.32 0.29 -0.56 4.88 4.57 -1.05 0.28 114.58 123.31 3ceh h GLU 405 Ca 0.09 -0.02 0.10 0.00 -1.18 0.00 0.00 59.36 58.35 3ceh h GLU 405 Cb -0.02 -0.06 -0.08 0.00 -0.16 0.00 0.00 28.75 28.43 3ceh h GLU 405 CO -0.02 0.19 0.12 0.82 -1.18 0.00 0.00 179.01 178.94 3ceh h ILE 406 N 0.30 0.68 -0.28 2.32 2.04 -0.84 -1.42 117.51 120.30 3ceh h ILE 406 Ca 0.15 -0.09 -0.01 0.00 1.00 0.00 0.00 64.86 65.92 3ceh h ILE 406 Cb 0.10 0.40 -0.01 0.00 -0.74 0.00 0.00 36.82 36.57 3ceh h ILE 406 CO -0.14 0.05 0.15 -1.13 0.00 0.00 0.00 178.15 177.08 3ceh h ASN 407 N 0.26 0.35 0.16 1.72 -1.24 0.62 -2.45 115.58 114.99 3ceh h ASN 407 Ca 0.29 -0.09 0.01 0.00 0.71 0.00 0.00 56.30 57.21 3ceh h ASN 407 Cb 0.40 -0.09 -0.04 0.00 0.73 0.00 0.00 38.32 39.33 3ceh h ASN 407 CO -0.37 0.34 -0.46 1.56 -1.29 0.00 0.00 177.43 177.22 3ceh h GLN 408 N 0.33 -0.66 -1.24 6.67 1.08 -0.13 0.27 115.11 121.42 3ceh h GLN 408 Ca 0.10 0.05 0.36 0.00 -1.45 0.00 0.00 58.65 57.70 3ceh h GLN 408 Cb 0.07 0.15 -0.07 0.00 -0.05 0.00 0.00 27.48 27.58 3ceh h GLN 408 CO -0.02 -0.44 0.85 0.87 -0.95 0.00 0.00 178.83 179.15 3ceh h LYS 409 N -0.69 0.12 0.07 1.46 1.79 -1.24 0.16 116.57 118.24 3ceh h LYS 409 Ca -0.01 -0.01 -0.00 0.00 -2.18 0.00 0.00 60.65 58.45 3ceh h LYS 409 Cb 0.67 -0.03 0.00 0.00 -1.58 0.00 0.00 32.23 31.30 3ceh h LYS 409 CO -0.22 0.08 -0.03 1.25 -1.08 0.00 0.00 179.45 179.45 3ceh h HIS 410 N 0.12 -0.09 -0.01 -1.35 2.76 -0.69 -3.09 115.15 112.81 3ceh h HIS 410 Ca 0.64 -0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.81 3ceh h HIS 410 Cb 2.23 0.03 -0.00 0.00 1.55 0.00 0.00 27.41 31.22 3ceh h HIS 410 CO -0.00 -0.06 0.02 -0.07 -1.30 0.00 0.00 177.93 176.52 3ceh h LEU 411 N -1.00 0.00 0.35 0.26 3.38 -0.22 -2.01 115.31 116.08 3ceh h LEU 411 Ca -0.01 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.94 3ceh h LEU 411 Cb 0.07 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.83 3ceh h LEU 411 CO 0.02 0.00 -0.17 0.44 0.09 0.00 0.00 178.44 178.82 3ceh h ASP 412 N 0.00 -0.40 -0.20 -0.43 5.19 -1.03 -2.00 116.42 117.55 3ceh h ASP 412 Ca 0.00 -0.06 0.01 0.00 -0.62 0.00 0.00 57.03 56.37 3ceh h ASP 412 Cb 0.04 0.10 -0.01 0.00 0.18 0.00 0.00 39.33 39.65 3ceh h ASP 412 CO -0.00 -0.19 0.14 -0.09 -3.12 0.00 0.00 179.24 175.98 3ceh h ARG 413 N -0.59 0.21 0.05 3.56 2.43 -1.28 -1.87 114.38 116.90 3ceh h ARG 413 Ca -0.05 -0.01 -0.00 0.00 -0.81 0.00 0.00 59.98 59.11 3ceh h ARG 413 Cb 0.44 -0.05 0.00 0.00 -0.42 0.00 0.00 29.97 29.94 3ceh h ARG 413 CO 0.08 0.14 -0.03 0.82 -1.51 0.00 0.00 179.97 179.48 3ceh h ILE 414 N 0.22 1.29 -0.90 1.20 5.03 -1.32 -2.72 117.51 120.32 3ceh h ILE 414 Ca 0.08 -1.35 0.24 0.00 -0.12 0.00 0.00 64.86 63.70 3ceh h ILE 414 Cb 0.05 2.16 -0.16 0.00 -3.03 0.00 0.00 36.82 35.84 3ceh h ILE 414 CO -0.02 0.33 0.06 0.58 -0.68 0.00 0.00 178.15 178.43 3ceh h VAL 415 N -0.70 0.17 -0.46 1.67 2.07 -1.15 -0.33 116.25 117.53 3ceh h VAL 415 Ca -0.01 -0.03 -0.02 0.00 0.82 0.00 0.00 66.70 67.47 3ceh h VAL 415 Cb 0.59 0.09 -0.02 0.00 -1.52 0.00 0.00 31.29 30.43 3ceh h VAL 415 CO 0.01 0.01 0.20 0.00 0.02 0.00 0.00 177.57 177.82 3ceh h ALA 416 N 1.86 1.49 -0.01 1.67 0.00 -1.17 -2.02 119.26 121.07 3ceh h ALA 416 Ca 0.54 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 55.33 3ceh h ALA 416 Cb 1.06 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 18.66 3ceh h ALA 416 CO -0.79 0.40 -0.39 1.28 0.00 0.00 0.00 179.25 179.74 3ceh n LEU 417 N -4.37 1.76 -2.80 0.00 4.77 -0.67 -4.67 117.00 111.02 3ceh n LEU 417 Ca 0.03 -0.62 -0.10 0.00 -0.03 0.00 0.00 56.01 55.30 3ceh n LEU 417 Cb 0.14 -0.03 0.07 0.00 -2.33 0.00 0.00 43.42 41.27 3ceh n LEU 417 CO 0.37 0.33 0.26 0.49 -1.33 0.00 0.00 177.39 177.50 3ceh n PHE 418 N -0.16 -2.20 0.09 -1.77 3.01 -0.22 -5.03 117.46 111.18 3ceh n PHE 418 Ca 0.10 -2.40 -0.02 0.00 1.01 0.00 0.00 57.45 56.15 3ceh n PHE 418 Cb 0.44 1.24 0.24 0.00 -0.01 0.00 0.00 39.48 41.38 3ceh n PHE 418 CO 0.00 0.00 0.00 -1.35 1.01 0.00 0.00 176.76 176.42 3ceh h PRO 419 N 2.87 0.25 -0.02 -1.08 0.11 -1.62 -0.85 132.00 131.66 3ceh h PRO 419 Ca -0.09 -0.11 0.00 0.00 0.11 0.00 0.00 66.00 65.91 3ceh h PRO 419 Cb 1.11 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.21 3ceh h PRO 419 CO 0.17 0.60 0.00 1.63 -0.21 0.00 0.00 178.00 180.19 3ceh n LYS 420 N -4.05 1.09 -3.44 1.05 4.01 -1.26 -4.67 118.16 110.89 3ceh n LYS 420 Ca -0.01 -0.13 -0.43 0.00 -0.51 0.00 0.00 58.31 57.23 3ceh n LYS 420 Cb 0.45 -1.33 -0.03 0.00 -0.51 0.00 0.00 35.03 33.62 3ceh n LYS 420 CO 0.00 0.00 0.00 0.34 -1.11 0.00 0.00 177.40 176.63 3ceh s ASP 421 N -1.63 6.60 0.27 4.39 3.68 -0.33 -4.86 116.67 124.80 3ceh s ASP 421 Ca 0.31 -3.16 0.13 0.00 2.13 0.00 0.00 52.55 51.96 3ceh s ASP 421 Cb 0.14 -2.11 0.29 0.00 -1.45 0.00 0.00 42.92 39.79 3ceh s ASP 421 CO 0.24 -0.39 1.55 1.62 0.13 0.00 0.00 175.17 178.31 3ceh h VAL 422 N 4.39 1.21 0.09 1.11 3.04 -1.83 -3.27 116.25 120.99 3ceh h VAL 422 Ca 0.12 -2.22 -0.27 0.00 -1.01 0.00 0.00 66.70 63.32 3ceh h VAL 422 Cb 0.94 2.27 -0.01 0.00 -2.01 0.00 0.00 31.29 32.49 3ceh h VAL 422 CO 0.84 0.59 -1.33 -0.78 -1.01 0.00 0.00 177.57 175.88 3ceh h ASP 423 N 0.00 0.29 -0.51 3.17 3.58 -1.97 -3.14 116.42 117.84 3ceh h ASP 423 Ca -0.01 -0.35 0.10 0.00 0.42 0.00 0.00 57.03 57.19 3ceh h ASP 423 Cb 1.23 -0.09 -0.03 0.00 1.72 0.00 0.00 39.33 42.15 3ceh h ASP 423 CO 0.08 1.29 0.35 -0.09 -2.88 0.00 0.00 179.24 177.98 3ceh h ARG 424 N 0.05 0.24 0.00 0.28 2.43 -1.97 -0.95 114.38 114.45 3ceh h ARG 424 Ca -0.16 -0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.00 3ceh h ARG 424 Cb 1.95 -0.05 0.00 0.00 -0.42 0.00 0.00 29.97 31.44 3ceh h ARG 424 CO 0.16 0.16 0.00 1.28 -1.51 0.00 0.00 179.97 180.06 3ceh n LEU 425 N -4.45 0.02 0.19 3.80 4.77 -1.19 -1.15 117.00 118.99 3ceh n LEU 425 Ca 0.08 0.85 0.17 0.00 -0.03 0.00 0.00 56.01 57.08 3ceh n LEU 425 Cb 0.41 -0.36 0.81 0.00 -2.33 0.00 0.00 43.42 41.95 3ceh n LEU 425 CO 0.35 -0.36 1.15 0.08 -1.33 0.00 0.00 177.39 177.28 3ceh h ARG 426 N 0.00 0.00 -0.25 3.23 0.11 -1.59 -0.62 114.38 115.27 3ceh h ARG 426 Ca 0.00 0.00 -0.06 0.00 0.10 0.00 0.00 59.98 60.02 3ceh h ARG 426 Cb 0.00 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 31.07 3ceh h ARG 426 CO 0.00 0.00 -0.09 -0.09 0.10 0.00 0.00 179.97 179.89 3ceh h ARG 427 N 0.00 0.51 -0.08 0.08 2.43 -1.14 -3.20 114.38 112.99 3ceh h ARG 427 Ca 0.10 -0.21 0.00 0.00 -0.81 0.00 0.00 59.98 59.06 3ceh h ARG 427 Cb 0.57 -0.02 0.00 0.00 -0.42 0.00 0.00 29.97 30.10 3ceh h ARG 427 CO -0.00 0.75 0.00 -1.33 -1.51 0.00 0.00 179.97 177.88 3ceh n MET 428 N -4.51 1.88 -1.77 0.20 2.81 -0.30 -4.96 117.12 110.47 3ceh n MET 428 Ca -0.04 -1.29 -0.36 0.00 -1.81 0.00 0.00 57.70 54.21 3ceh n MET 428 Cb 0.33 -1.46 0.06 0.00 -0.71 0.00 0.00 33.22 31.43 3ceh n MET 428 CO 0.00 0.00 0.00 0.45 1.51 0.00 0.00 175.97 177.93 3ceh s SER 429 N -1.88 4.74 0.29 7.83 0.15 -0.39 -4.93 113.70 119.52 3ceh s SER 429 Ca 0.35 2.45 0.16 0.00 0.70 0.00 0.00 55.95 59.60 3ceh s SER 429 Cb 0.20 -2.60 0.22 0.00 -1.71 0.00 0.00 66.02 62.13 3ceh s SER 429 CO 0.31 -1.90 1.51 -0.07 1.20 0.00 0.00 173.24 174.29 3ceh h LEU 430 N 0.45 0.00 -8.85 3.45 3.38 -1.91 -3.43 115.31 108.41 3ceh h LEU 430 Ca -0.50 0.00 -0.64 0.00 0.09 0.00 0.00 57.88 56.83 3ceh h LEU 430 Cb 1.31 0.00 -0.15 0.00 0.09 0.00 0.00 40.66 41.91 3ceh h LEU 430 CO 0.53 0.50 -0.14 -0.63 0.09 0.00 0.00 178.44 178.79 3ceh s ILE 431 N -3.11 5.10 -0.95 1.22 -1.09 -1.26 -0.47 121.20 120.64 3ceh s ILE 431 Ca 0.03 0.45 -0.24 0.00 -2.23 0.00 0.00 60.65 58.65 3ceh s ILE 431 Cb 0.09 -3.83 0.02 0.00 -1.58 0.00 0.00 42.46 37.15 3ceh s ILE 431 CO 0.73 -0.03 1.58 -1.61 -1.23 0.00 0.00 174.94 174.39 3ceh s GLU 432 N 2.21 3.23 0.43 2.79 2.02 -0.03 -4.89 118.70 124.47 3ceh s GLU 432 Ca 0.17 -0.74 0.30 0.00 0.02 0.00 0.00 54.97 54.71 3ceh s GLU 432 Cb -0.16 -5.13 1.26 0.00 0.10 0.00 0.00 34.13 30.21 3ceh s GLU 432 CO 0.11 -2.54 1.88 0.93 0.02 0.00 0.00 175.26 175.66 3ceh h GLU 433 N 10.44 0.00 -6.63 1.61 3.07 -1.91 -2.79 114.58 118.37 3ceh h GLU 433 Ca 0.11 0.00 -0.52 0.00 -0.50 0.00 0.00 59.36 58.44 3ceh h GLU 433 Cb 1.02 0.00 0.02 0.00 -0.84 0.00 0.00 28.75 28.95 3ceh h GLU 433 CO 1.35 0.00 0.62 -1.83 -1.40 0.00 0.00 179.01 177.75 3ceh s GLU 434 N -3.55 4.42 4.21 2.33 1.03 -1.26 -4.51 118.70 121.37 3ceh s GLU 434 Ca 0.02 1.96 0.00 0.00 0.03 0.00 0.00 54.97 56.98 3ceh s GLU 434 Cb 0.09 -3.23 0.00 0.00 -0.80 0.00 0.00 34.13 30.19 3ceh s GLU 434 CO 0.46 -0.23 0.00 0.41 -1.33 0.00 0.00 175.26 174.57 3ceh n GLY 435 N 2.57 0.84 0.25 -3.83 0.00 -1.26 -2.56 105.19 101.18 3ceh n GLY 435 Ca 0.07 0.57 -0.03 0.00 0.00 0.00 0.00 46.02 46.62 3ceh n GLY 435 CO 0.00 0.00 0.00 0.23 0.00 0.00 0.00 173.32 173.55 3ceh h SER 436 N 0.00 -0.65 -3.12 1.61 0.87 -1.90 -3.49 113.55 106.87 3ceh h SER 436 Ca 0.00 0.17 0.00 0.00 -1.23 0.00 0.00 61.79 60.73 3ceh h SER 436 Cb 0.00 0.38 0.00 0.00 -0.44 0.00 0.00 62.40 62.34 3ceh h SER 436 CO 0.00 -0.22 -0.07 0.29 -0.53 0.00 0.00 176.83 176.30 3ceh n LYS 437 N -5.40 -0.39 -3.90 2.24 5.02 -1.06 -4.69 118.16 109.98 3ceh n LYS 437 Ca 0.05 0.75 -0.10 0.00 -2.02 0.00 0.00 58.31 56.98 3ceh n LYS 437 Cb 0.30 -0.71 -0.10 0.00 -0.02 0.00 0.00 35.03 34.51 3ceh n LYS 437 CO 0.00 0.00 0.00 1.03 -0.52 0.00 0.00 177.40 177.91 3ceh s ARG 438 N -2.10 0.47 -0.07 1.97 0.52 -1.05 -1.88 118.95 116.81 3ceh s ARG 438 Ca 0.00 -0.50 -0.24 0.00 -0.52 0.00 0.00 55.73 54.47 3ceh s ARG 438 Cb 0.00 0.19 -0.04 0.00 0.52 0.00 0.00 34.95 35.62 3ceh s ARG 438 CO 0.00 -0.11 0.71 0.42 0.02 0.00 0.00 175.30 176.34 3ceh s ILE 439 N -1.62 5.04 -0.79 1.52 1.01 0.45 -0.85 121.20 125.95 3ceh s ILE 439 Ca -0.13 1.46 -0.18 0.00 0.00 0.00 0.00 60.65 61.79 3ceh s ILE 439 Cb -0.07 -4.05 0.13 0.00 0.01 0.00 0.00 42.46 38.49 3ceh s ILE 439 CO 0.00 0.24 0.93 0.21 0.00 0.00 0.00 174.94 176.33 3ceh s ASN 440 N 0.82 6.49 0.49 3.58 3.84 0.38 -2.16 114.94 128.37 3ceh s ASN 440 Ca 0.38 -1.89 0.17 0.00 0.21 0.00 0.00 52.86 51.72 3ceh s ASN 440 Cb -0.18 -2.34 1.21 0.00 -0.55 0.00 0.00 41.25 39.39 3ceh s ASN 440 CO 0.18 -1.03 2.07 0.24 -2.79 0.00 0.00 177.10 175.77 3ceh h MET 441 N 8.81 0.13 -0.00 0.43 2.86 -1.86 -1.53 114.93 123.77 3ceh h MET 441 Ca -0.02 -0.01 0.02 0.00 -2.06 0.00 0.00 59.70 57.63 3ceh h MET 441 Cb 1.05 -0.03 -0.02 0.00 0.06 0.00 0.00 31.60 32.65 3ceh h MET 441 CO 1.05 0.09 -0.11 0.00 1.06 0.00 0.00 176.91 179.00 3ceh h ALA 442 N 1.85 -0.12 -0.70 6.32 0.00 -1.91 -0.32 119.26 124.38 3ceh h ALA 442 Ca 0.13 0.01 0.08 0.00 0.00 0.00 0.00 54.91 55.13 3ceh h ALA 442 Cb 0.35 0.19 -0.06 0.00 0.00 0.00 0.00 17.79 18.27 3ceh h ALA 442 CO -0.02 -0.60 0.37 0.45 0.00 0.00 0.00 179.25 179.45 3ceh h HIS 443 N -0.18 0.66 -0.28 0.00 3.86 -1.67 0.37 115.15 117.91 3ceh h HIS 443 Ca 0.04 0.03 0.01 0.00 -1.16 0.00 0.00 60.37 59.29 3ceh h HIS 443 Cb 0.24 -0.19 -0.02 0.00 1.06 0.00 0.00 27.41 28.50 3ceh h HIS 443 CO -0.17 0.28 0.16 1.25 0.86 0.00 0.00 177.93 180.31 3ceh h LEU 444 N 0.65 0.27 -0.59 2.43 5.85 -1.24 -1.23 115.31 121.44 3ceh h LEU 444 Ca 0.33 0.00 -0.03 0.00 0.84 0.00 0.00 57.88 59.02 3ceh h LEU 444 Cb 0.29 -0.05 -0.03 0.00 0.37 0.00 0.00 40.66 41.24 3ceh h LEU 444 CO -0.23 0.19 0.25 0.00 -0.34 0.00 0.00 178.44 178.32 3ceh h ILE 446 N 0.81 0.98 0.02 0.00 2.04 -0.15 -2.03 117.51 119.18 3ceh h ILE 446 Ca 0.20 -0.11 -0.20 0.00 1.00 0.00 0.00 64.86 65.75 3ceh h ILE 446 Cb 0.17 0.64 -0.02 0.00 -0.74 0.00 0.00 36.82 36.88 3ceh h ILE 446 CO -0.02 0.06 -0.93 -0.37 0.00 0.00 0.00 178.15 176.89 3ceh h VAL 447 N 0.31 1.57 -0.00 1.67 -1.51 -1.07 -3.20 116.25 114.01 3ceh h VAL 447 Ca 0.13 -2.90 0.00 0.00 -1.23 0.00 0.00 66.70 62.70 3ceh h VAL 447 Cb 0.05 2.62 0.00 0.00 -2.13 0.00 0.00 31.29 31.83 3ceh h VAL 447 CO -0.10 0.84 -0.02 0.61 -1.23 0.00 0.00 177.57 177.67 3ceh n GLY 448 N 1.04 -1.29 3.54 5.19 0.00 -0.38 -4.89 105.19 108.40 3ceh n GLY 448 Ca -0.02 -0.15 -0.29 0.00 0.00 0.00 0.00 46.02 45.55 3ceh n GLY 448 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3ceh s SER 449 N -2.65 4.20 0.21 1.61 0.01 -0.77 -3.30 113.70 113.01 3ceh s SER 449 Ca 0.26 -0.46 0.20 0.00 1.31 0.00 0.00 55.95 57.25 3ceh s SER 449 Cb 0.20 -0.72 0.02 0.00 0.21 0.00 0.00 66.02 65.73 3ceh s SER 449 CO 0.48 0.17 1.11 1.12 0.41 0.00 0.00 173.24 176.53 3ceh h HIS 450 N 3.61 0.00 -3.69 2.43 2.07 -1.07 -3.46 115.15 115.05 3ceh h HIS 450 Ca -0.49 0.00 -0.45 0.00 -2.85 0.00 0.00 60.37 56.58 3ceh h HIS 450 Cb 1.17 0.00 -0.32 0.00 2.57 0.00 0.00 27.41 30.83 3ceh h HIS 450 CO 0.61 0.21 -0.79 0.00 -3.07 0.00 0.00 177.93 174.88 3ceh s ALA 451 N -3.18 0.94 -0.09 6.11 0.00 -1.26 -4.59 121.76 119.68 3ceh s ALA 451 Ca 0.00 -0.32 0.04 0.00 0.00 0.00 0.00 51.96 51.69 3ceh s ALA 451 Cb 0.08 -0.39 -0.01 0.00 0.00 0.00 0.00 23.12 22.81 3ceh s ALA 451 CO 0.77 0.12 -0.22 0.08 0.00 0.00 0.00 175.76 176.51 3ceh s VAL 452 N 0.38 2.26 0.01 0.00 1.01 0.25 -0.95 120.40 123.36 3ceh s VAL 452 Ca -0.07 -0.97 0.02 0.00 0.00 0.00 0.00 61.98 60.96 3ceh s VAL 452 Cb -0.11 -1.86 -0.01 0.00 0.00 0.00 0.00 36.38 34.40 3ceh s VAL 452 CO 0.01 0.56 -0.05 0.54 0.00 0.00 0.00 175.10 176.16 3ceh s ASN 453 N 0.11 0.59 0.67 3.32 4.22 -0.55 0.21 114.94 123.52 3ceh s ASN 453 Ca -0.11 -0.21 0.02 0.00 -2.14 0.00 0.00 52.86 50.42 3ceh s ASN 453 Cb -0.16 -0.03 0.11 0.00 1.28 0.00 0.00 41.25 42.45 3ceh s ASN 453 CO 0.06 -0.02 0.92 -0.83 -2.04 0.00 0.00 177.10 175.19 3ceh s GLY 454 N -0.50 1.77 0.00 0.45 0.00 -0.87 -0.58 107.32 107.59 3ceh s GLY 454 Ca -0.02 -1.77 0.09 0.00 0.00 0.00 0.00 44.72 43.02 3ceh s GLY 454 CO -0.00 -1.27 0.79 3.33 0.00 0.00 0.00 173.10 175.96 3ceh n VAL 455 N -2.64 0.01 -3.51 1.40 0.24 -1.26 -2.07 118.33 110.49 3ceh n VAL 455 Ca 0.14 -0.51 -0.13 0.00 -2.04 0.00 0.00 64.34 61.81 3ceh n VAL 455 Cb 0.61 1.18 -0.04 0.00 -1.47 0.00 0.00 33.84 34.12 3ceh n VAL 455 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3ceh s ALA 456 N -0.76 -1.41 0.11 2.33 0.00 -1.26 0.23 121.76 120.99 3ceh s ALA 456 Ca 0.11 0.50 -0.33 0.00 0.00 0.00 0.00 51.96 52.24 3ceh s ALA 456 Cb 0.08 0.63 -0.13 0.00 0.00 0.00 0.00 23.12 23.69 3ceh s ALA 456 CO 0.11 -0.63 1.53 0.87 0.00 0.00 0.00 175.76 177.64 3ceh h LYS 457 N 2.38 -0.60 -0.91 0.00 1.57 -1.91 -1.02 116.57 116.09 3ceh h LYS 457 Ca -0.32 0.04 0.12 0.00 -1.87 0.00 0.00 60.65 58.61 3ceh h LYS 457 Cb 1.26 0.14 -0.07 0.00 0.08 0.00 0.00 32.23 33.63 3ceh h LYS 457 CO 0.41 -0.40 0.58 0.97 -0.57 0.00 0.00 179.45 180.44 3ceh h ILE 458 N -0.62 0.91 0.00 1.86 2.10 -1.92 -1.47 117.51 118.37 3ceh h ILE 458 Ca 0.02 -0.28 -0.01 0.00 1.08 0.00 0.00 64.86 65.66 3ceh h ILE 458 Cb 0.68 0.01 0.00 0.00 -1.09 0.00 0.00 36.82 36.42 3ceh h ILE 458 CO -0.36 0.15 -0.04 -0.74 -1.08 0.00 0.00 178.15 176.08 3ceh h HIS 459 N 0.83 0.04 -0.99 2.19 2.76 -1.64 -2.19 115.15 116.16 3ceh h HIS 459 Ca 0.44 -0.02 0.09 0.00 -2.20 0.00 0.00 60.37 58.67 3ceh h HIS 459 Cb 0.53 -0.00 -0.07 0.00 1.55 0.00 0.00 27.41 29.41 3ceh h HIS 459 CO -0.00 0.83 0.63 0.77 -1.30 0.00 0.00 177.93 178.86 3ceh h SER 460 N -0.76 0.97 -0.22 3.26 0.02 -1.09 0.19 113.55 115.92 3ceh h SER 460 Ca -0.01 0.02 0.04 0.00 -0.84 0.00 0.00 61.79 61.01 3ceh h SER 460 Cb 0.85 -0.18 -0.04 0.00 0.14 0.00 0.00 62.40 63.16 3ceh h SER 460 CO 0.01 0.58 -0.05 -0.78 -1.14 0.00 0.00 176.83 175.44 3ceh h ASP 461 N 1.08 -0.20 -0.15 3.07 3.58 -1.19 0.31 116.42 122.91 3ceh h ASP 461 Ca 0.45 0.07 -0.03 0.00 0.42 0.00 0.00 57.03 57.94 3ceh h ASP 461 Cb 0.30 0.14 -0.01 0.00 1.72 0.00 0.00 39.33 41.48 3ceh h ASP 461 CO -0.20 -0.07 -0.01 0.40 -2.88 0.00 0.00 179.24 176.48 3ceh h ILE 462 N 0.00 1.26 -0.67 2.25 5.03 -0.73 -0.77 117.51 123.88 3ceh h ILE 462 Ca 0.11 -0.86 0.14 0.00 -0.12 0.00 0.00 64.86 64.13 3ceh h ILE 462 Cb 0.16 1.54 -0.12 0.00 -3.03 0.00 0.00 36.82 35.38 3ceh h ILE 462 CO -0.23 0.25 -0.05 0.58 -0.68 0.00 0.00 178.15 178.03 3ceh h VAL 463 N -0.01 0.40 0.04 1.67 2.07 -0.20 0.33 116.25 120.56 3ceh h VAL 463 Ca 0.04 -0.03 -0.00 0.00 0.82 0.00 0.00 66.70 67.53 3ceh h VAL 463 Cb 0.39 0.32 0.00 0.00 -1.52 0.00 0.00 31.29 30.48 3ceh h VAL 463 CO 0.01 0.01 -0.02 0.50 0.02 0.00 0.00 177.57 178.09 3ceh h LYS 464 N 0.07 -0.06 0.00 1.57 3.64 -0.28 0.14 116.57 121.66 3ceh h LYS 464 Ca 0.35 0.00 -0.19 0.00 -1.27 0.00 0.00 60.65 59.54 3ceh h LYS 464 Cb 0.57 0.01 -0.03 0.00 -0.41 0.00 0.00 32.23 32.37 3ceh h LYS 464 CO -0.61 0.52 -0.93 1.79 -2.27 0.00 0.00 179.45 177.95 3ceh h THR 465 N -0.94 1.48 0.00 1.00 1.35 -1.04 -3.18 112.91 111.58 3ceh h THR 465 Ca -0.01 -3.12 0.00 0.00 -0.55 0.00 0.00 66.41 62.73 3ceh h THR 465 Cb 0.61 2.73 0.00 0.00 -1.73 0.00 0.00 68.15 69.76 3ceh h THR 465 CO 0.01 0.85 0.00 1.17 -0.25 0.00 0.00 175.52 177.30 3ceh n LYS 466 N -3.30 0.00 -0.37 4.72 4.81 0.11 -4.26 118.16 119.86 3ceh n LYS 466 Ca -0.00 0.00 0.30 0.00 -0.87 0.00 0.00 58.31 57.73 3ceh n LYS 466 Cb 0.90 0.00 0.59 0.00 0.02 0.00 0.00 35.03 36.54 3ceh n LYS 466 CO 0.00 0.00 0.00 0.28 1.17 0.00 0.00 177.40 178.85 3ceh h VAL 467 N 0.00 0.36 -0.06 3.15 2.07 -1.34 -0.27 116.25 120.17 3ceh h VAL 467 Ca 0.00 -0.08 -0.02 0.00 0.82 0.00 0.00 66.70 67.42 3ceh h VAL 467 Cb 0.00 0.10 -0.01 0.00 -1.52 0.00 0.00 31.29 29.86 3ceh h VAL 467 CO 0.00 0.04 -0.18 0.49 0.02 0.00 0.00 177.57 177.94 3ceh n PHE 468 N -4.59 0.20 -0.27 1.57 0.99 0.48 -4.81 117.46 111.04 3ceh n PHE 468 Ca 0.30 -1.22 0.08 0.00 -0.00 0.00 0.00 57.45 56.61 3ceh n PHE 468 Cb 1.13 -0.23 0.17 0.00 -1.00 0.00 0.00 39.48 39.55 3ceh n PHE 468 CO 0.00 0.00 0.00 1.17 -0.00 0.00 0.00 176.76 177.93 3ceh n LYS 469 N -1.21 -0.06 -0.33 -1.08 4.81 -0.11 -0.40 118.16 119.77 3ceh n LYS 469 Ca 0.19 1.16 0.02 0.00 -0.87 0.00 0.00 58.31 58.81 3ceh n LYS 469 Cb 0.72 -1.80 0.19 0.00 0.02 0.00 0.00 35.03 34.16 3ceh n LYS 469 CO 0.00 0.00 0.00 -0.44 1.17 0.00 0.00 177.40 178.13 3ceh h ASP 470 N 0.00 1.00 0.22 3.14 3.45 -1.87 -1.86 116.42 120.50 3ceh h ASP 470 Ca 0.42 -0.01 -0.35 0.00 0.43 0.00 0.00 57.03 57.53 3ceh h ASP 470 Cb 0.78 -0.22 -0.01 0.00 -0.56 0.00 0.00 39.33 39.31 3ceh h ASP 470 CO -0.75 0.68 -1.86 -0.26 -1.57 0.00 0.00 179.24 175.48 3ceh h PHE 471 N 1.16 0.48 -0.14 4.55 -1.00 -1.11 -3.35 116.94 117.53 3ceh h PHE 471 Ca 0.38 -0.35 -0.13 0.00 2.81 0.00 0.00 57.97 60.68 3ceh h PHE 471 Cb 0.06 -0.02 -0.01 0.00 3.61 0.00 0.00 35.95 39.59 3ceh h PHE 471 CO -0.00 1.63 -0.48 0.66 -1.61 0.00 0.00 178.31 178.51 3ceh h SER 472 N 0.07 0.40 -0.74 2.17 4.64 -1.15 -2.27 113.55 116.67 3ceh h SER 472 Ca -0.37 -0.19 0.12 0.00 -0.47 0.00 0.00 61.79 60.88 3ceh h SER 472 Cb 2.05 -0.11 -0.09 0.00 -0.31 0.00 0.00 62.40 63.94 3ceh h SER 472 CO 0.12 0.82 0.32 -0.33 -0.87 0.00 0.00 176.83 176.89 3ceh h GLU 473 N 0.29 0.49 0.00 4.77 5.08 -1.50 -0.39 114.58 123.32 3ceh h GLU 473 Ca 0.02 -0.03 -0.05 0.00 -1.00 0.00 0.00 59.36 58.29 3ceh h GLU 473 Cb 0.96 -0.11 -0.01 0.00 0.50 0.00 0.00 28.75 30.09 3ceh h GLU 473 CO 0.08 0.32 -0.26 -0.07 -1.00 0.00 0.00 179.01 178.09 3ceh h LEU 474 N 0.50 0.00 -5.09 1.33 4.07 -1.54 -3.40 115.31 111.19 3ceh h LEU 474 Ca 0.39 0.00 -0.21 0.00 0.08 0.00 0.00 57.88 58.14 3ceh h LEU 474 Cb 0.53 0.00 -0.17 0.00 1.08 0.00 0.00 40.66 42.10 3ceh h LEU 474 CO -0.35 0.26 -0.53 -1.84 -1.08 0.00 0.00 178.44 174.89 3ceh n GLU 475 N -3.68 0.63 -0.34 1.13 0.28 -0.86 -5.02 120.64 112.77 3ceh n GLU 475 Ca -0.01 -2.00 0.08 0.00 -0.16 0.00 0.00 57.16 55.07 3ceh n GLU 475 Cb 0.37 -1.47 0.25 0.00 1.43 0.00 0.00 31.44 32.02 3ceh n GLU 475 CO 0.00 0.00 0.00 -1.35 -0.16 0.00 0.00 177.13 175.62 3ceh h PRO 476 N 4.58 0.82 0.00 3.44 0.11 -1.31 -0.66 132.00 138.98 3ceh h PRO 476 Ca -0.02 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 66.04 3ceh h PRO 476 Cb 1.06 -0.19 0.00 0.00 0.11 0.00 0.00 31.00 31.99 3ceh h PRO 476 CO 0.17 0.54 0.00 -0.44 -0.21 0.00 0.00 178.00 178.07 3ceh h ASP 477 N 0.85 0.00 0.50 -2.05 3.32 -1.96 -2.52 116.42 114.56 3ceh h ASP 477 Ca 0.50 0.00 -0.10 0.00 0.02 0.00 0.00 57.03 57.44 3ceh h ASP 477 Cb 0.60 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.13 3ceh h ASP 477 CO -0.31 0.00 -0.49 0.50 -1.72 0.00 0.00 179.24 177.22 3ceh h LYS 478 N 0.00 0.00 -5.25 3.56 3.64 -1.36 -3.44 116.57 113.72 3ceh h LYS 478 Ca 0.00 0.00 -0.62 0.00 -1.27 0.00 0.00 60.65 58.76 3ceh h LYS 478 Cb 0.05 0.00 -0.14 0.00 -0.41 0.00 0.00 32.23 31.74 3ceh h LYS 478 CO 0.00 0.49 -0.22 -0.06 -2.27 0.00 0.00 179.45 177.39 3ceh s PHE 479 N -3.90 3.29 0.20 1.91 0.40 -0.95 -0.58 117.98 118.35 3ceh s PHE 479 Ca -0.02 0.48 0.00 0.00 -0.60 0.00 0.00 56.93 56.79 3ceh s PHE 479 Cb 0.13 -2.55 -0.05 0.00 0.51 0.00 0.00 43.02 41.07 3ceh s PHE 479 CO 0.74 -0.15 0.07 1.14 0.70 0.00 0.00 175.22 177.72 3ceh s GLN 480 N 1.81 1.20 0.04 0.44 -2.07 0.13 -4.96 119.66 116.25 3ceh s GLN 480 Ca 0.16 -1.61 0.02 0.00 -1.82 0.00 0.00 55.36 52.11 3ceh s GLN 480 Cb -0.15 -0.04 -0.04 0.00 -1.09 0.00 0.00 33.01 31.68 3ceh s GLN 480 CO 0.09 -0.27 0.06 1.21 -1.32 0.00 0.00 175.29 175.06 3ceh s ASN 481 N -3.19 5.47 -0.30 12.60 3.84 -1.26 -2.05 114.94 130.05 3ceh s ASN 481 Ca 0.32 0.03 -0.02 0.00 0.21 0.00 0.00 52.86 53.39 3ceh s ASN 481 Cb 0.07 -1.48 0.12 0.00 -0.55 0.00 0.00 41.25 39.40 3ceh s ASN 481 CO 0.09 0.22 0.19 -0.54 -2.79 0.00 0.00 177.10 174.27 3ceh s LYS 482 N -2.03 0.27 0.37 0.43 -0.14 -0.88 -4.92 119.74 112.84 3ceh s LYS 482 Ca 0.25 -0.50 -0.28 0.00 -1.36 0.00 0.00 55.97 54.09 3ceh s LYS 482 Cb -0.12 -1.02 -0.10 0.00 -1.68 0.00 0.00 37.83 34.91 3ceh s LYS 482 CO 0.17 -1.04 1.38 0.99 -0.76 0.00 0.00 175.35 176.08 3ceh s THR 483 N 2.07 2.41 1.19 2.17 2.01 -1.26 -4.17 115.64 120.06 3ceh s THR 483 Ca 0.10 0.40 -0.14 0.00 0.31 0.00 0.00 61.69 62.36 3ceh s THR 483 Cb -0.16 -3.25 0.29 0.00 0.01 0.00 0.00 72.50 69.39 3ceh s THR 483 CO -0.32 0.08 1.02 0.20 -0.69 0.00 0.00 174.62 174.92 3ceh s ASN 484 N -0.43 0.84 0.22 3.53 0.01 0.14 -4.70 114.94 114.55 3ceh s ASN 484 Ca 0.53 1.32 -0.17 0.00 -0.71 0.00 0.00 52.86 53.83 3ceh s ASN 484 Cb -0.42 -2.03 0.02 0.00 0.41 0.00 0.00 41.25 39.23 3ceh s ASN 484 CO 0.56 -4.26 0.54 -0.83 -1.51 0.00 0.00 177.10 171.60 3ceh s GLY 485 N -2.78 0.08 0.01 0.66 0.00 -1.26 -4.80 107.32 99.23 3ceh s GLY 485 Ca 0.68 -0.42 0.01 0.00 0.00 0.00 0.00 44.72 44.99 3ceh s GLY 485 CO 0.63 -0.34 -0.04 -0.26 0.00 0.00 0.00 173.10 173.09 3ceh s ILE 486 N -3.92 0.28 -0.00 0.90 -4.36 0.46 -4.57 121.20 109.98 3ceh s ILE 486 Ca 0.13 -0.44 -0.30 0.00 -0.26 0.00 0.00 60.65 59.78 3ceh s ILE 486 Cb -0.02 -0.30 -0.05 0.00 1.25 0.00 0.00 42.46 43.34 3ceh s ILE 486 CO 0.02 -0.11 1.35 0.28 0.24 0.00 0.00 174.94 176.72 3ceh s THR 487 N -0.55 3.82 -2.03 8.37 -1.32 -1.26 -1.05 115.64 121.62 3ceh s THR 487 Ca -0.04 1.20 0.23 0.00 -1.21 0.00 0.00 61.69 61.87 3ceh s THR 487 Cb -0.04 -3.77 0.63 0.00 -1.51 0.00 0.00 72.50 67.81 3ceh s THR 487 CO -0.00 0.00 1.85 -0.81 -2.21 0.00 0.00 174.62 173.45 3ceh n PRO 488 N 5.23 1.05 0.00 7.08 -0.04 -1.26 -1.93 135.00 145.13 3ceh n PRO 488 Ca 0.12 -0.08 0.00 0.00 -0.04 0.00 0.00 63.50 63.51 3ceh n PRO 488 Cb 0.44 -1.36 0.00 0.00 -0.04 0.00 0.00 33.50 32.54 3ceh n PRO 488 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 3ceh n ARG 489 N -0.77 0.00 -0.33 0.54 3.00 -1.26 -2.01 116.66 115.83 3ceh n ARG 489 Ca 0.17 0.20 0.14 0.00 -0.01 0.00 0.00 57.85 58.34 3ceh n ARG 489 Cb 0.10 -0.92 0.35 0.00 0.00 0.00 0.00 32.46 31.99 3ceh n ARG 489 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.63 177.54 3ceh h ARG 490 N 0.00 0.70 -0.14 5.56 2.43 -1.96 -0.85 114.38 120.12 3ceh h ARG 490 Ca 0.00 -0.04 0.00 0.00 -0.81 0.00 0.00 59.98 59.13 3ceh h ARG 490 Cb 0.00 -0.16 0.00 0.00 -0.42 0.00 0.00 29.97 29.39 3ceh h ARG 490 CO 0.00 0.46 0.00 0.91 -1.51 0.00 0.00 179.97 179.83 3ceh n TRP 491 N -4.69 0.15 0.00 2.20 7.02 -0.81 -2.29 117.44 119.02 3ceh n TRP 491 Ca 0.22 -0.08 0.00 0.00 -1.02 0.00 0.00 57.50 56.62 3ceh n TRP 491 Cb 0.58 -0.00 0.00 0.00 -2.42 0.00 0.00 31.31 29.47 3ceh n TRP 491 CO 0.00 0.00 0.00 -0.11 -2.02 0.00 0.00 177.69 175.56 3ceh n LEU 492 N 1.35 0.00 -0.39 -0.99 7.94 -1.05 -4.76 117.00 119.09 3ceh n LEU 492 Ca 0.15 0.00 -0.10 0.00 -1.11 0.00 0.00 56.01 54.95 3ceh n LEU 492 Cb 0.58 0.00 -0.09 0.00 0.53 0.00 0.00 43.42 44.44 3ceh n LEU 492 CO 0.15 -0.36 0.46 0.18 -1.11 0.00 0.00 177.39 176.70 3ceh n LEU 493 N -2.08 -0.99 -0.03 -1.96 4.32 -0.75 -1.47 117.00 114.04 3ceh n LEU 493 Ca 0.00 1.68 -0.13 0.00 -0.02 0.00 0.00 56.01 57.54 3ceh n LEU 493 Cb 0.00 -0.22 -0.11 0.00 -1.62 0.00 0.00 43.42 41.47 3ceh n LEU 493 CO 0.00 -1.36 0.51 0.25 -1.22 0.00 0.00 177.39 175.56 3ceh h LEU 494 N 0.00 -0.01 -0.28 2.23 6.46 -1.30 -3.10 115.31 119.31 3ceh h LEU 494 Ca 0.15 -0.69 0.00 0.00 -0.12 0.00 0.00 57.88 57.22 3ceh h LEU 494 Cb 0.38 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 40.32 3ceh h LEU 494 CO -0.88 0.69 0.00 0.00 -0.62 0.00 0.00 178.44 177.63 3ceh n ASN 496 N -0.64 -2.24 0.20 0.00 2.85 -0.54 -4.64 115.26 110.25 3ceh n ASN 496 Ca 0.21 -2.97 0.04 0.00 -0.11 0.00 0.00 54.58 51.76 3ceh n ASN 496 Cb 0.17 1.58 0.41 0.00 1.24 0.00 0.00 39.78 43.18 3ceh n ASN 496 CO 0.00 0.00 0.00 1.55 -2.11 0.00 0.00 177.26 176.70 3ceh h PRO 497 N 3.32 0.00 0.01 1.20 0.13 -1.67 -2.78 132.00 132.21 3ceh h PRO 497 Ca -0.17 0.00 0.03 0.00 -0.87 0.00 0.00 66.00 64.99 3ceh h PRO 497 Cb 1.11 0.00 -0.05 0.00 0.13 0.00 0.00 31.00 32.18 3ceh h PRO 497 CO 0.14 0.32 -0.43 0.78 -0.23 0.00 0.00 178.00 178.57 3ceh h GLY 498 N 1.06 -0.82 0.95 1.56 0.00 -1.92 0.15 103.07 104.04 3ceh h GLY 498 Ca -0.00 0.53 -0.01 0.00 0.00 0.00 0.00 47.33 47.84 3ceh h GLY 498 CO 0.04 -0.25 0.15 -2.00 0.00 0.00 0.00 176.54 174.49 3ceh h LEU 499 N -0.60 0.37 -0.52 3.11 5.85 -1.92 -0.78 115.31 120.83 3ceh h LEU 499 Ca 0.04 -0.10 0.08 0.00 0.84 0.00 0.00 57.88 58.74 3ceh h LEU 499 Cb 0.67 -0.10 -0.07 0.00 0.37 0.00 0.00 40.66 41.53 3ceh h LEU 499 CO -0.31 0.37 0.15 0.00 -0.34 0.00 0.00 178.44 178.30 3ceh h ALA 500 N 1.02 0.62 -0.33 1.25 0.00 -1.30 0.19 119.26 120.70 3ceh h ALA 500 Ca 0.10 0.09 -0.05 0.00 0.00 0.00 0.00 54.91 55.06 3ceh h ALA 500 Cb 0.08 0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.96 3ceh h ALA 500 CO -0.02 -0.26 0.03 1.49 0.00 0.00 0.00 179.25 180.49 3ceh h GLU 501 N 0.30 0.57 0.62 0.00 4.81 -0.37 -1.36 114.58 119.15 3ceh h GLU 501 Ca 0.26 -0.17 -0.03 0.00 -0.13 0.00 0.00 59.36 59.30 3ceh h GLU 501 Cb 0.33 -0.06 -0.01 0.00 0.63 0.00 0.00 28.75 29.64 3ceh h GLU 501 CO -0.30 0.67 -0.42 1.25 -0.73 0.00 0.00 179.01 179.48 3ceh h LEU 502 N 0.39 -1.07 -0.79 1.64 6.46 -0.52 0.39 115.31 121.80 3ceh h LEU 502 Ca 0.10 0.07 0.18 0.00 -0.12 0.00 0.00 57.88 58.10 3ceh h LEU 502 Cb 0.40 0.32 -0.11 0.00 -0.73 0.00 0.00 40.66 40.53 3ceh h LEU 502 CO 0.01 -0.62 0.26 0.40 -0.62 0.00 0.00 178.44 177.87 3ceh h ILE 503 N -0.98 0.51 -0.54 4.05 2.04 -0.66 0.67 117.51 122.59 3ceh h ILE 503 Ca -0.08 -0.11 -0.04 0.00 1.00 0.00 0.00 64.86 65.62 3ceh h ILE 503 Cb 0.80 0.15 -0.03 0.00 -0.74 0.00 0.00 36.82 37.00 3ceh h ILE 503 CO 0.06 0.06 0.17 0.00 0.00 0.00 0.00 178.15 178.44 3ceh h ALA 504 N 1.64 1.28 0.00 1.87 0.00 -0.77 -0.47 119.26 122.81 3ceh h ALA 504 Ca 0.46 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 55.20 3ceh h ALA 504 Cb 0.81 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 18.38 3ceh h ALA 504 CO -0.51 0.52 0.00 0.39 0.00 0.00 0.00 179.25 179.65 3ceh n GLU 505 N -4.30 0.15 -0.11 0.00 1.02 0.13 -0.72 120.64 116.81 3ceh n GLU 505 Ca 0.04 0.31 -0.22 0.00 -0.02 0.00 0.00 57.16 57.28 3ceh n GLU 505 Cb 0.20 -1.75 -0.12 0.00 -0.02 0.00 0.00 31.44 29.75 3ceh n GLU 505 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 3ceh n LYS 506 N -2.02 0.65 0.00 3.49 4.76 -0.31 -4.73 118.16 120.00 3ceh n LYS 506 Ca 0.03 0.22 0.00 0.00 -2.87 0.00 0.00 58.31 55.70 3ceh n LYS 506 Cb 0.26 -1.56 0.00 0.00 -1.84 0.00 0.00 35.03 31.89 3ceh n LYS 506 CO 0.00 0.00 0.00 0.44 -1.37 0.00 0.00 177.40 176.47 3ceh n ILE 507 N -3.60 0.51 -0.43 -0.18 -5.35 -0.46 -5.12 119.36 104.73 3ceh n ILE 507 Ca -0.45 -0.62 0.06 0.00 -0.27 0.00 0.00 62.75 61.47 3ceh n ILE 507 Cb 0.96 0.82 -0.02 0.00 -1.74 0.00 0.00 39.64 39.66 3ceh n ILE 507 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3ceh n GLY 508 N -0.26 -1.50 0.44 3.28 0.00 0.10 -4.65 105.19 102.60 3ceh n GLY 508 Ca 0.00 -1.42 0.13 0.00 0.00 0.00 0.00 46.02 44.72 3ceh n GLY 508 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 3ceh n GLU 509 N -2.05 1.27 -0.45 1.61 0.28 -1.26 -4.26 120.64 115.79 3ceh n GLU 509 Ca 0.00 -0.89 0.39 0.00 -0.16 0.00 0.00 57.16 56.51 3ceh n GLU 509 Cb 0.20 -1.48 0.73 0.00 1.43 0.00 0.00 31.44 32.32 3ceh n GLU 509 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 177.13 176.53 3ceh h ASP 510 N 2.16 0.09 -0.07 -1.84 3.45 -1.95 -1.75 116.42 116.50 3ceh h ASP 510 Ca 0.00 0.03 0.02 0.00 0.43 0.00 0.00 57.03 57.51 3ceh h ASP 510 Cb 0.63 0.02 -0.00 0.00 -0.56 0.00 0.00 39.33 39.42 3ceh h ASP 510 CO 0.00 -0.02 0.08 0.10 -1.57 0.00 0.00 179.24 177.83 3ceh h TYR 511 N 0.06 0.00 -0.78 4.55 -0.00 -1.74 -1.07 116.97 117.99 3ceh h TYR 511 Ca 0.71 0.00 -0.03 0.00 -0.00 0.00 0.00 58.73 59.41 3ceh h TYR 511 Cb 2.64 0.00 -0.04 0.00 -0.00 0.00 0.00 36.73 39.33 3ceh h TYR 511 CO -0.00 0.00 0.36 0.28 -0.00 0.00 0.00 178.16 178.80 3ceh h VAL 512 N 0.00 1.25 -0.00 -0.90 2.07 -1.66 -1.76 116.25 115.24 3ceh h VAL 512 Ca 0.04 -0.70 0.00 0.00 0.82 0.00 0.00 66.70 66.85 3ceh h VAL 512 Cb 0.19 0.26 0.00 0.00 -1.52 0.00 0.00 31.29 30.22 3ceh h VAL 512 CO -0.00 0.30 -0.80 0.29 0.02 0.00 0.00 177.57 177.38 3ceh n LYS 513 N -4.31 0.72 -3.35 1.57 5.02 -0.89 -4.61 118.16 112.31 3ceh n LYS 513 Ca 0.07 -0.26 -0.21 0.00 -2.02 0.00 0.00 58.31 55.89 3ceh n LYS 513 Cb 0.15 -1.43 -0.09 0.00 -0.02 0.00 0.00 35.03 33.64 3ceh n LYS 513 CO 0.00 0.00 0.00 0.34 -0.52 0.00 0.00 177.40 177.22 3ceh s ASP 514 N -2.72 1.49 0.16 4.39 3.68 -0.46 -5.00 116.67 118.21 3ceh s ASP 514 Ca 0.10 -2.05 0.16 0.00 2.13 0.00 0.00 52.55 52.90 3ceh s ASP 514 Cb 0.15 0.22 0.75 0.00 -1.45 0.00 0.00 42.92 42.59 3ceh s ASP 514 CO 0.73 -0.24 1.51 -0.11 0.13 0.00 0.00 175.17 177.19 3ceh n LEU 515 N 3.82 0.35 0.16 -1.34 7.94 -0.70 -1.30 117.00 125.93 3ceh n LEU 515 Ca 0.16 0.62 0.13 0.00 -1.11 0.00 0.00 56.01 55.80 3ceh n LEU 515 Cb 0.44 -0.60 0.55 0.00 0.53 0.00 0.00 43.42 44.34 3ceh n LEU 515 CO 0.09 -0.56 0.88 0.77 -1.11 0.00 0.00 177.39 177.46 3ceh h SER 516 N 0.00 0.00 0.60 1.96 4.64 -1.84 -1.75 113.55 117.16 3ceh h SER 516 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3ceh h SER 516 Cb 0.18 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.27 3ceh h SER 516 CO 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 176.83 175.96 3ceh n GLN 517 N -2.40 0.18 0.11 4.77 1.13 -0.42 -2.39 117.38 118.36 3ceh n GLN 517 Ca 0.01 0.45 0.09 0.00 -1.94 0.00 0.00 57.00 55.62 3ceh n GLN 517 Cb 0.22 -1.87 0.43 0.00 0.11 0.00 0.00 30.24 29.14 3ceh n GLN 517 CO 0.00 0.00 0.00 1.28 -1.44 0.00 0.00 177.06 176.90 3ceh n LEU 518 N -2.21 0.45 0.01 1.08 4.77 -0.66 -1.92 117.00 118.51 3ceh n LEU 518 Ca 0.02 0.66 0.02 0.00 -0.03 0.00 0.00 56.01 56.68 3ceh n LEU 518 Cb 0.20 -0.66 0.37 0.00 -2.33 0.00 0.00 43.42 40.99 3ceh n LEU 518 CO 0.18 -0.68 1.04 0.71 -1.33 0.00 0.00 177.39 177.31 3ceh h THR 519 N 0.00 1.15 0.00 -5.08 1.35 -1.31 -2.18 112.91 106.84 3ceh h THR 519 Ca 0.00 -0.49 0.00 0.00 -0.55 0.00 0.00 66.41 65.37 3ceh h THR 519 Cb 0.14 0.74 0.00 0.00 -1.73 0.00 0.00 68.15 67.31 3ceh h THR 519 CO 0.00 0.18 0.73 0.11 -0.25 0.00 0.00 175.52 176.29 3ceh h LYS 520 N 0.51 0.00 0.00 4.72 1.57 -1.64 0.49 116.57 122.22 3ceh h LYS 520 Ca 0.12 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.89 3ceh h LYS 520 Cb 0.14 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.45 3ceh h LYS 520 CO -0.01 0.00 -0.05 -0.07 -0.57 0.00 0.00 179.45 178.75 3ceh h LEU 521 N 0.00 0.00 -1.87 2.94 3.38 -1.61 -2.95 115.31 115.20 3ceh h LEU 521 Ca 0.00 0.00 0.09 0.00 0.09 0.00 0.00 57.88 58.06 3ceh h LEU 521 Cb 1.45 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 42.18 3ceh h LEU 521 CO 0.00 0.05 0.29 0.45 0.09 0.00 0.00 178.44 179.32 3ceh h HIS 522 N 0.00 0.16 0.00 1.13 3.86 -0.20 0.10 115.15 120.20 3ceh h HIS 522 Ca -0.00 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.21 3ceh h HIS 522 Cb 0.81 -0.05 0.00 0.00 1.06 0.00 0.00 27.41 29.22 3ceh h HIS 522 CO 0.00 0.08 0.00 -1.13 0.86 0.00 0.00 177.93 177.74 3ceh n SER 523 N -4.45 0.88 -0.11 2.45 3.41 -1.11 -2.12 113.62 112.56 3ceh n SER 523 Ca 0.06 -1.72 0.03 0.00 -0.26 0.00 0.00 58.87 56.98 3ceh n SER 523 Cb 0.38 -0.43 0.04 0.00 -0.26 0.00 0.00 64.21 63.94 3ceh n SER 523 CO 0.00 0.00 0.00 0.49 -0.16 0.00 0.00 175.04 175.37 3ceh n PHE 524 N 0.07 0.00 -0.24 7.33 3.01 0.36 -4.85 117.46 123.14 3ceh n PHE 524 Ca 0.00 -0.46 -0.08 0.00 1.01 0.00 0.00 57.45 57.92 3ceh n PHE 524 Cb 0.22 -0.07 0.04 0.00 -0.01 0.00 0.00 39.48 39.66 3ceh n PHE 524 CO 0.00 0.00 0.00 -0.07 1.01 0.00 0.00 176.76 177.70 3ceh h LEU 525 N 0.00 1.02 -0.58 4.37 3.38 -1.56 -1.22 115.31 120.73 3ceh h LEU 525 Ca 0.00 -0.24 0.00 0.00 0.09 0.00 0.00 57.88 57.73 3ceh h LEU 525 Cb 0.91 -0.27 0.00 0.00 0.09 0.00 0.00 40.66 41.39 3ceh h LEU 525 CO 0.00 0.99 0.00 0.61 0.09 0.00 0.00 178.44 180.13 3ceh n GLY 526 N -0.65 -0.31 3.56 0.83 0.00 -1.26 -4.76 105.19 102.59 3ceh n GLY 526 Ca 0.05 -0.25 -0.42 0.00 0.00 0.00 0.00 46.02 45.39 3ceh n GLY 526 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3ceh s ASP 527 N -1.44 6.73 0.25 1.61 3.68 -0.46 -4.89 116.67 122.15 3ceh s ASP 527 Ca 0.26 -2.13 -0.09 0.00 2.13 0.00 0.00 52.55 52.72 3ceh s ASP 527 Cb 0.13 -2.55 0.40 0.00 -1.45 0.00 0.00 42.92 39.45 3ceh s ASP 527 CO 0.20 -1.25 1.60 0.44 0.13 0.00 0.00 175.17 176.30 3ceh h ASP 528 N 8.38 -0.63 -0.44 -0.34 3.32 -1.86 -1.29 116.42 123.56 3ceh h ASP 528 Ca 0.33 0.23 -0.01 0.00 0.02 0.00 0.00 57.03 57.61 3ceh h ASP 528 Cb 0.93 0.46 -0.02 0.00 0.22 0.00 0.00 39.33 40.92 3ceh h ASP 528 CO 1.41 -0.25 0.24 0.58 -1.72 0.00 0.00 179.24 179.50 3ceh h VAL 529 N 0.02 1.16 -0.68 -1.35 2.07 -1.98 -2.85 116.25 112.65 3ceh h VAL 529 Ca 0.41 -0.42 0.07 0.00 0.82 0.00 0.00 66.70 67.58 3ceh h VAL 529 Cb 0.67 0.63 -0.06 0.00 -1.52 0.00 0.00 31.29 31.01 3ceh h VAL 529 CO -0.80 0.17 0.37 0.15 0.02 0.00 0.00 177.57 177.48 3ceh h PHE 530 N 0.58 0.67 -0.88 1.57 3.57 -1.63 -1.62 116.94 119.20 3ceh h PHE 530 Ca 0.16 0.03 0.15 0.00 3.53 0.00 0.00 57.97 61.83 3ceh h PHE 530 Cb 0.06 -0.20 -0.07 0.00 2.79 0.00 0.00 35.95 38.53 3ceh h PHE 530 CO -0.02 0.30 0.57 -0.07 -2.23 0.00 0.00 178.31 176.86 3ceh h LEU 531 N 0.67 0.61 -0.47 0.59 3.38 -1.19 -0.97 115.31 117.93 3ceh h LEU 531 Ca 0.31 0.04 -0.15 0.00 0.09 0.00 0.00 57.88 58.16 3ceh h LEU 531 Cb 0.22 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 40.89 3ceh h LEU 531 CO -0.20 0.30 -0.40 0.03 0.09 0.00 0.00 178.44 178.26 3ceh h ARG 532 N 0.64 0.83 -0.12 1.13 3.08 -1.09 -1.49 114.38 117.36 3ceh h ARG 532 Ca 0.44 -0.44 -0.11 0.00 0.07 0.00 0.00 59.98 59.94 3ceh h ARG 532 Cb 0.77 0.02 -0.01 0.00 0.08 0.00 0.00 29.97 30.82 3ceh h ARG 532 CO -0.20 1.08 -0.42 0.93 -1.07 0.00 0.00 179.97 180.29 3ceh h GLU 533 N 0.68 0.28 -0.06 0.04 5.08 -0.87 0.14 114.58 119.86 3ceh h GLU 533 Ca 0.05 -0.13 -0.05 0.00 -1.00 0.00 0.00 59.36 58.23 3ceh h GLU 533 Cb 0.97 -0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.22 3ceh h GLU 533 CO 0.09 0.65 -0.15 1.25 -1.00 0.00 0.00 179.01 179.85 3ceh h LEU 534 N 0.23 0.25 -1.20 1.33 5.85 -1.08 -1.89 115.31 118.79 3ceh h LEU 534 Ca 0.02 -0.58 0.00 0.00 0.84 0.00 0.00 57.88 58.16 3ceh h LEU 534 Cb 0.84 -0.07 -0.04 0.00 0.37 0.00 0.00 40.66 41.76 3ceh h LEU 534 CO 0.07 0.79 0.51 0.00 -0.34 0.00 0.00 178.44 179.47 3ceh h ALA 535 N 0.47 1.41 -0.08 1.25 0.00 -1.11 -1.73 119.26 119.47 3ceh h ALA 535 Ca -0.00 -0.06 -0.00 0.00 0.00 0.00 0.00 54.91 54.84 3ceh h ALA 535 Cb 0.75 -0.32 -0.00 0.00 0.00 0.00 0.00 17.79 18.22 3ceh h ALA 535 CO 0.03 0.54 0.04 -0.22 0.00 0.00 0.00 179.25 179.64 3ceh h LYS 536 N 1.08 0.11 -0.49 0.00 3.64 -0.66 -0.43 116.57 119.82 3ceh h LYS 536 Ca 0.29 -0.01 0.09 0.00 -1.27 0.00 0.00 60.65 59.75 3ceh h LYS 536 Cb -0.11 -0.02 -0.08 0.00 -0.41 0.00 0.00 32.23 31.61 3ceh h LYS 536 CO -0.06 0.17 -0.01 0.28 -2.27 0.00 0.00 179.45 177.56 3ceh h VAL 537 N 0.02 0.61 -0.36 2.00 2.07 -0.98 -0.40 116.25 119.21 3ceh h VAL 537 Ca 0.03 -0.04 0.03 0.00 0.82 0.00 0.00 66.70 67.54 3ceh h VAL 537 Cb 0.10 0.50 -0.03 0.00 -1.52 0.00 0.00 31.29 30.33 3ceh h VAL 537 CO -0.00 0.02 0.15 0.50 0.02 0.00 0.00 177.57 178.26 3ceh h LYS 538 N 0.10 0.31 -0.78 1.57 1.63 -0.87 -2.45 116.57 116.08 3ceh h LYS 538 Ca 0.25 -0.02 -0.03 0.00 -0.85 0.00 0.00 60.65 60.00 3ceh h LYS 538 Cb 0.37 -0.07 -0.04 0.00 -0.60 0.00 0.00 32.23 31.89 3ceh h LYS 538 CO -0.42 0.21 0.37 0.37 -3.45 0.00 0.00 179.45 176.53 3ceh h GLN 539 N 0.32 1.12 -0.72 1.90 5.75 -0.34 0.26 115.11 123.40 3ceh h GLN 539 Ca 0.16 -0.16 -0.03 0.00 -0.15 0.00 0.00 58.65 58.47 3ceh h GLN 539 Cb 0.10 -0.20 -0.03 0.00 1.07 0.00 0.00 27.48 28.41 3ceh h GLN 539 CO -0.13 0.86 0.34 0.93 -2.65 0.00 0.00 178.83 178.18 3ceh h GLU 540 N 1.11 1.02 -0.38 1.69 3.07 -0.88 0.57 114.58 120.79 3ceh h GLU 540 Ca 0.27 -0.14 -0.04 0.00 -0.50 0.00 0.00 59.36 58.95 3ceh h GLU 540 Cb 0.11 -0.19 -0.02 0.00 -0.84 0.00 0.00 28.75 27.82 3ceh h GLU 540 CO -0.03 0.79 0.07 -0.91 -1.40 0.00 0.00 179.01 177.53 3ceh h ASN 541 N 1.02 0.59 -0.31 1.42 -0.26 -0.92 -0.97 115.58 116.14 3ceh h ASN 541 Ca 0.25 -0.25 0.02 0.00 -0.56 0.00 0.00 56.30 55.76 3ceh h ASN 541 Cb 0.11 -0.16 -0.03 0.00 -1.06 0.00 0.00 38.32 37.19 3ceh h ASN 541 CO -0.03 0.69 0.14 0.11 -1.06 0.00 0.00 177.43 177.28 3ceh h LYS 542 N 0.46 0.30 0.18 0.81 1.57 -0.51 -1.09 116.57 118.30 3ceh h LYS 542 Ca 0.12 -0.02 -0.01 0.00 -1.87 0.00 0.00 60.65 58.87 3ceh h LYS 542 Cb 0.34 -0.07 0.00 0.00 0.08 0.00 0.00 32.23 32.59 3ceh h LYS 542 CO 0.00 0.20 -0.09 -0.07 -0.57 0.00 0.00 179.45 178.92 3ceh h LEU 543 N 0.31 -0.21 0.14 2.94 3.38 0.31 0.49 115.31 122.66 3ceh h LEU 543 Ca 0.13 -0.09 0.01 0.00 0.09 0.00 0.00 57.88 58.03 3ceh h LEU 543 Cb 0.06 0.05 -0.04 0.00 0.09 0.00 0.00 40.66 40.82 3ceh h LEU 543 CO -0.10 -0.05 -0.50 0.50 0.09 0.00 0.00 178.44 178.38 3ceh h LYS 544 N -0.36 -0.71 -0.84 1.13 1.63 -1.17 -1.84 116.57 114.41 3ceh h LYS 544 Ca -0.03 0.05 0.08 0.00 -0.85 0.00 0.00 60.65 59.90 3ceh h LYS 544 Cb 0.28 0.16 -0.06 0.00 -0.60 0.00 0.00 32.23 32.02 3ceh h LYS 544 CO 0.04 -0.47 0.55 0.35 -3.45 0.00 0.00 179.45 176.46 3ceh h PHE 545 N -0.74 0.90 -0.75 1.91 3.57 -1.09 0.24 116.94 120.99 3ceh h PHE 545 Ca -0.01 0.02 0.09 0.00 3.53 0.00 0.00 57.97 61.61 3ceh h PHE 545 Cb 0.73 -0.29 -0.05 0.00 2.79 0.00 0.00 35.95 39.13 3ceh h PHE 545 CO -0.43 0.44 0.49 0.77 -2.23 0.00 0.00 178.31 177.35 3ceh h SER 546 N 0.86 0.60 -0.40 0.41 0.02 0.50 -1.03 113.55 114.50 3ceh h SER 546 Ca 0.37 0.01 0.01 0.00 -0.84 0.00 0.00 61.79 61.35 3ceh h SER 546 Cb 0.33 -0.11 -0.02 0.00 0.14 0.00 0.00 62.40 62.73 3ceh h SER 546 CO -0.14 0.36 0.25 1.56 -1.14 0.00 0.00 176.83 177.72 3ceh h GLN 547 N 0.67 0.50 -0.07 3.45 4.20 -0.14 -1.13 115.11 122.59 3ceh h GLN 547 Ca 0.34 -0.03 0.01 0.00 0.06 0.00 0.00 58.65 59.03 3ceh h GLN 547 Cb 0.45 -0.11 -0.01 0.00 0.30 0.00 0.00 27.48 28.11 3ceh h GLN 547 CO -0.12 0.33 0.02 0.35 -0.67 0.00 0.00 178.83 178.73 3ceh h PHE 548 N 0.51 0.03 -0.75 2.96 3.57 -0.93 0.33 116.94 122.66 3ceh h PHE 548 Ca 0.15 0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.65 3ceh h PHE 548 Cb -0.03 -0.00 -0.04 0.00 2.79 0.00 0.00 35.95 38.67 3ceh h PHE 548 CO -0.06 0.01 0.45 -0.07 -2.23 0.00 0.00 178.31 176.41 3ceh h LEU 549 N 0.05 0.91 -0.68 0.59 3.38 -1.21 -0.97 115.31 117.39 3ceh h LEU 549 Ca 0.03 -0.07 -0.14 0.00 0.09 0.00 0.00 57.88 57.79 3ceh h LEU 549 Cb 0.02 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 40.53 3ceh h LEU 549 CO -0.04 0.71 -0.62 -0.33 0.09 0.00 0.00 178.44 178.25 3ceh h GLU 550 N 1.03 0.15 -0.00 1.13 5.08 -0.79 -0.72 114.58 120.46 3ceh h GLU 550 Ca 0.27 -0.11 0.00 0.00 -1.00 0.00 0.00 59.36 58.52 3ceh h GLU 550 Cb -0.03 0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.24 3ceh h GLU 550 CO -0.05 0.72 -0.27 0.25 -1.00 0.00 0.00 179.01 178.66 3ceh n THR 551 N -3.84 0.00 -0.02 1.13 -2.24 0.11 -4.28 114.28 105.15 3ceh n THR 551 Ca -0.02 -0.08 -0.01 0.00 -2.27 0.00 0.00 64.05 61.67 3ceh n THR 551 Cb 0.62 0.22 -0.05 0.00 -2.10 0.00 0.00 70.33 69.03 3ceh n THR 551 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 3ceh n GLU 552 N -0.95 2.20 -4.99 -0.78 -0.58 -0.38 -4.94 120.64 110.22 3ceh n GLU 552 Ca 0.11 -0.02 -0.27 0.00 -0.42 0.00 0.00 57.16 56.56 3ceh n GLU 552 Cb 0.33 -1.15 -0.15 0.00 -0.57 0.00 0.00 31.44 29.90 3ceh n GLU 552 CO 0.00 0.00 0.00 0.71 -0.48 0.00 0.00 177.13 177.36 3ceh s TYR 553 N -2.22 1.91 -0.92 -0.32 1.51 -0.28 -5.07 117.35 111.96 3ceh s TYR 553 Ca -0.03 -0.36 -0.12 0.00 -1.01 0.00 0.00 57.07 55.55 3ceh s TYR 553 Cb 0.02 -1.21 0.24 0.00 -0.11 0.00 0.00 41.96 40.90 3ceh s TYR 553 CO 0.24 -0.01 0.87 0.15 -1.11 0.00 0.00 175.55 175.69 3ceh s LYS 554 N -0.62 3.77 -0.13 -0.62 1.02 -1.26 -4.00 119.74 117.90 3ceh s LYS 554 Ca 0.08 -2.73 -0.05 0.00 0.02 0.00 0.00 55.97 53.29 3ceh s LYS 554 Cb -0.08 -4.45 0.06 0.00 -0.52 0.00 0.00 37.83 32.84 3ceh s LYS 554 CO -0.00 -1.27 0.28 0.08 -0.92 0.00 0.00 175.35 173.52 3ceh s VAL 555 N -0.33 -0.36 -0.21 3.17 1.01 -1.26 -5.12 120.40 117.30 3ceh s VAL 555 Ca 0.22 0.24 -0.29 0.00 0.00 0.00 0.00 61.98 62.15 3ceh s VAL 555 Cb -0.10 -0.46 -0.03 0.00 0.00 0.00 0.00 36.38 35.79 3ceh s VAL 555 CO -0.09 0.10 1.67 -0.75 0.00 0.00 0.00 175.10 176.03 3ceh s LYS 556 N 2.19 3.77 -0.22 2.72 2.20 -1.26 -4.50 119.74 124.65 3ceh s LYS 556 Ca -0.01 1.73 -0.20 0.00 -0.36 0.00 0.00 55.97 57.12 3ceh s LYS 556 Cb -0.12 -4.06 -0.02 0.00 -1.51 0.00 0.00 37.83 32.12 3ceh s LYS 556 CO -0.09 -1.33 0.62 0.42 -0.36 0.00 0.00 175.35 174.61 3ceh s ILE 557 N 5.34 5.01 -0.32 5.43 -1.09 -1.26 -4.99 121.20 129.33 3ceh s ILE 557 Ca 0.74 1.15 -0.29 0.00 -2.23 0.00 0.00 60.65 60.02 3ceh s ILE 557 Cb -0.26 -3.93 -0.00 0.00 -1.58 0.00 0.00 42.46 36.68 3ceh s ILE 557 CO 0.30 0.09 1.39 0.21 -1.23 0.00 0.00 174.94 175.70 3ceh s ASN 558 N 1.28 6.53 0.05 3.58 3.84 -1.26 -4.90 114.94 124.06 3ceh s ASN 558 Ca 0.28 1.18 0.15 0.00 0.21 0.00 0.00 52.86 54.68 3ceh s ASN 558 Cb -0.16 -2.54 0.66 0.00 -0.55 0.00 0.00 41.25 38.66 3ceh s ASN 558 CO 0.10 -1.21 1.49 -2.65 -2.79 0.00 0.00 177.10 172.03 3ceh n PRO 559 N 7.58 0.04 0.00 0.43 -0.02 -1.26 -2.85 135.00 138.92 3ceh n PRO 559 Ca 0.16 0.30 0.00 0.00 -2.02 0.00 0.00 63.50 61.94 3ceh n PRO 559 Cb 0.47 -1.57 0.00 0.00 -0.02 0.00 0.00 33.50 32.38 3ceh n PRO 559 CO 0.00 0.00 0.00 -1.13 1.98 0.00 0.00 175.50 176.35 3ceh n SER 560 N -1.64 0.74 -4.64 2.55 3.41 -1.26 -4.83 113.62 107.96 3ceh n SER 560 Ca 0.03 -0.87 -0.30 0.00 -0.26 0.00 0.00 58.87 57.47 3ceh n SER 560 Cb 0.17 0.28 0.18 0.00 -0.26 0.00 0.00 64.21 64.58 3ceh n SER 560 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 3ceh s SER 561 N -0.31 2.59 -0.14 4.04 1.04 -1.13 -4.98 113.70 114.81 3ceh s SER 561 Ca 0.00 1.83 -0.29 0.00 0.48 0.00 0.00 55.95 57.97 3ceh s SER 561 Cb 0.00 -2.41 -0.01 0.00 0.10 0.00 0.00 66.02 63.70 3ceh s SER 561 CO 0.01 -3.25 1.10 -0.32 0.98 0.00 0.00 173.24 171.76 3ceh s MET 562 N -4.67 4.33 -0.65 4.02 -2.45 0.43 -4.68 119.30 115.62 3ceh s MET 562 Ca 0.66 1.49 -0.26 0.00 -1.25 0.00 0.00 55.69 56.33 3ceh s MET 562 Cb -0.22 -3.61 0.04 0.00 1.25 0.00 0.00 34.83 32.29 3ceh s MET 562 CO 0.60 -0.50 1.15 -0.06 1.05 0.00 0.00 175.02 177.26 3ceh s PHE 563 N 2.63 2.52 -0.36 4.11 0.40 -1.26 0.06 117.98 126.08 3ceh s PHE 563 Ca 0.50 0.02 -0.06 0.00 -0.60 0.00 0.00 56.93 56.79 3ceh s PHE 563 Cb -0.19 -4.46 0.05 0.00 0.51 0.00 0.00 43.02 38.93 3ceh s PHE 563 CO 0.15 -1.75 0.13 0.34 0.70 0.00 0.00 175.22 174.79 3ceh s ASP 564 N 3.35 5.33 -0.10 1.36 -1.08 -0.36 -0.93 116.67 124.23 3ceh s ASP 564 Ca 0.35 -1.31 0.01 0.00 -0.52 0.00 0.00 52.55 51.08 3ceh s ASP 564 Cb -0.10 -1.87 0.02 0.00 -1.46 0.00 0.00 42.92 39.51 3ceh s ASP 564 CO 0.18 -0.38 -0.13 -0.69 0.52 0.00 0.00 175.17 174.67 3ceh s VAL 565 N 1.36 1.33 -0.33 1.11 1.01 0.63 0.17 120.40 125.68 3ceh s VAL 565 Ca -0.00 -0.54 0.04 0.00 0.00 0.00 0.00 61.98 61.48 3ceh s VAL 565 Cb -0.21 -1.24 0.10 0.00 0.00 0.00 0.00 36.38 35.03 3ceh s VAL 565 CO 0.02 0.41 0.04 -1.58 0.00 0.00 0.00 175.10 173.99 3ceh s GLN 566 N 1.10 1.47 -0.14 2.72 0.74 0.97 -1.37 119.66 125.16 3ceh s GLN 566 Ca -0.05 -1.81 0.02 0.00 0.05 0.00 0.00 55.36 53.58 3ceh s GLN 566 Cb -0.14 -3.13 0.01 0.00 1.10 0.00 0.00 33.01 30.85 3ceh s GLN 566 CO -0.02 -0.92 -0.21 0.14 -0.55 0.00 0.00 175.29 173.72 3ceh s VAL 567 N 0.95 1.99 0.07 1.34 -7.23 -1.26 -1.27 120.40 115.00 3ceh s VAL 567 Ca 0.10 -0.94 -0.26 0.00 -1.81 0.00 0.00 61.98 59.07 3ceh s VAL 567 Cb -0.19 -1.77 0.09 0.00 0.56 0.00 0.00 36.38 35.07 3ceh s VAL 567 CO -0.09 0.54 1.17 -1.59 -0.31 0.00 0.00 175.10 174.82 3ceh s LYS 568 N 0.86 0.80 0.60 4.82 -2.85 -0.87 -4.98 119.74 118.12 3ceh s LYS 568 Ca -0.06 -0.50 -0.18 0.00 -1.00 0.00 0.00 55.97 54.22 3ceh s LYS 568 Cb -0.15 0.23 -0.03 0.00 -2.06 0.00 0.00 37.83 35.82 3ceh s LYS 568 CO -0.03 -0.37 1.18 1.03 0.10 0.00 0.00 175.35 177.26 3ceh s ARG 569 N -2.24 2.98 -0.15 1.78 1.81 -1.26 -3.58 118.95 118.29 3ceh s ARG 569 Ca 0.23 1.73 -0.27 0.00 -1.72 0.00 0.00 55.73 55.71 3ceh s ARG 569 Cb -0.00 -1.94 -0.01 0.00 -0.45 0.00 0.00 34.95 32.54 3ceh s ARG 569 CO 0.01 -1.18 0.89 0.42 -0.68 0.00 0.00 175.30 174.77 3ceh s ILE 570 N -1.73 4.84 -0.08 1.52 -1.09 -0.58 -4.89 121.20 119.19 3ceh s ILE 570 Ca 0.75 1.77 -0.14 0.00 -2.23 0.00 0.00 60.65 60.81 3ceh s ILE 570 Cb -0.28 -4.20 0.03 0.00 -1.58 0.00 0.00 42.46 36.43 3ceh s ILE 570 CO 0.33 0.01 0.34 -1.00 -1.23 0.00 0.00 174.94 173.40 3ceh s HIS 571 N 2.15 -0.30 0.36 3.97 3.76 -1.26 -4.66 115.29 119.31 3ceh s HIS 571 Ca 0.41 0.65 0.05 0.00 -0.15 0.00 0.00 55.06 56.02 3ceh s HIS 571 Cb -0.17 0.12 0.71 0.00 1.11 0.00 0.00 32.58 34.36 3ceh s HIS 571 CO 0.14 -0.29 1.99 0.93 -0.85 0.00 0.00 174.74 176.66 3ceh h GLU 572 N 4.75 0.76 -0.64 1.40 5.08 -1.97 -2.41 114.58 121.55 3ceh h GLU 572 Ca -0.28 -0.05 -0.08 0.00 -1.00 0.00 0.00 59.36 57.95 3ceh h GLU 572 Cb 1.18 -0.17 -0.02 0.00 0.50 0.00 0.00 28.75 30.24 3ceh h GLU 572 CO 0.34 0.50 0.08 0.10 -1.00 0.00 0.00 179.01 179.02 3ceh h TYR 573 N 0.78 1.15 0.00 4.33 -0.00 -1.97 -2.37 116.97 118.89 3ceh h TYR 573 Ca 0.27 -0.17 -0.04 0.00 0.00 0.00 0.00 58.73 58.78 3ceh h TYR 573 Cb 0.09 -0.31 -0.01 0.00 0.00 0.00 0.00 36.73 36.51 3ceh h TYR 573 CO -0.00 0.98 -0.21 0.87 -0.00 0.00 0.00 178.16 179.81 3ceh h LYS 574 N 0.99 0.00 -3.72 0.10 1.57 -1.84 -2.93 116.57 110.75 3ceh h LYS 574 Ca 0.19 0.00 -0.25 0.00 -1.87 0.00 0.00 60.65 58.72 3ceh h LYS 574 Cb 0.47 0.00 0.07 0.00 0.08 0.00 0.00 32.23 32.85 3ceh h LYS 574 CO 0.02 0.21 -0.41 0.54 -0.57 0.00 0.00 179.45 179.23 3ceh n ARG 575 N -3.74 -4.43 -0.41 3.15 1.74 -0.89 -3.70 116.66 108.38 3ceh n ARG 575 Ca -0.02 0.53 0.33 0.00 -0.77 0.00 0.00 57.85 57.93 3ceh n ARG 575 Cb 0.31 -4.64 0.63 0.00 -1.02 0.00 0.00 32.46 27.75 3ceh n ARG 575 CO 0.00 0.00 0.00 1.96 -1.52 0.00 0.00 177.63 178.07 3ceh h GLN 576 N -1.46 0.16 -0.63 5.56 7.50 -1.85 1.00 115.11 125.39 3ceh h GLN 576 Ca -0.35 -0.01 0.09 0.00 0.50 0.00 0.00 58.65 58.89 3ceh h GLN 576 Cb 1.23 -0.04 -0.07 0.00 0.05 0.00 0.00 27.48 28.65 3ceh h GLN 576 CO 0.35 0.10 0.26 1.25 -1.50 0.00 0.00 178.83 179.29 3ceh h LEU 577 N 0.16 0.28 -0.00 1.46 6.46 -1.90 -0.26 115.31 121.50 3ceh h LEU 577 Ca 0.72 0.07 -0.00 0.00 -0.12 0.00 0.00 57.88 58.56 3ceh h LEU 577 Cb 2.28 0.04 -0.00 0.00 -0.73 0.00 0.00 40.66 42.26 3ceh h LEU 577 CO -0.29 0.16 0.00 0.25 -0.62 0.00 0.00 178.44 177.94 3ceh h LEU 578 N 0.45 0.00 -0.38 2.25 5.85 -1.17 0.60 115.31 122.91 3ceh h LEU 578 Ca 0.32 -0.14 0.07 0.00 0.84 0.00 0.00 57.88 58.96 3ceh h LEU 578 Cb 0.38 -0.00 -0.09 0.00 0.37 0.00 0.00 40.66 41.32 3ceh h LEU 578 CO -0.30 0.15 -0.42 -1.13 -0.34 0.00 0.00 178.44 176.39 3ceh h ASN 579 N -0.14 -1.40 -0.99 1.25 -0.00 -1.45 0.10 115.58 112.95 3ceh h ASN 579 Ca 0.00 0.21 0.28 0.00 -0.00 0.00 0.00 56.30 56.80 3ceh h ASN 579 Cb 0.14 0.61 -0.14 0.00 -0.00 0.00 0.00 38.32 38.94 3ceh h ASN 579 CO -0.00 -0.37 0.54 0.00 -0.00 0.00 0.00 177.43 177.60 3ceh h LEU 581 N 0.41 0.02 -1.89 0.00 3.38 0.10 -2.17 115.31 115.16 3ceh h LEU 581 Ca 0.68 -0.18 0.09 0.00 0.09 0.00 0.00 57.88 58.56 3ceh h LEU 581 Cb 1.44 -0.01 -0.02 0.00 0.09 0.00 0.00 40.66 42.17 3ceh h LEU 581 CO -0.56 0.20 0.27 -0.74 0.09 0.00 0.00 178.44 177.69 3ceh h HIS 582 N -0.16 0.13 0.04 1.13 2.76 0.15 -0.35 115.15 118.85 3ceh h HIS 582 Ca 0.01 0.00 -0.00 0.00 -2.20 0.00 0.00 60.37 58.18 3ceh h HIS 582 Cb 0.18 -0.04 0.00 0.00 1.55 0.00 0.00 27.41 29.10 3ceh h HIS 582 CO -0.01 0.06 -0.02 0.28 -1.30 0.00 0.00 177.93 176.94 3ceh h VAL 583 N 0.12 1.05 -0.51 5.26 2.07 -0.47 -1.33 116.25 122.44 3ceh h VAL 583 Ca 0.18 -0.26 0.05 0.00 0.82 0.00 0.00 66.70 67.49 3ceh h VAL 583 Cb 0.54 1.22 -0.05 0.00 -1.52 0.00 0.00 31.29 31.48 3ceh h VAL 583 CO -0.02 0.07 0.24 0.40 0.02 0.00 0.00 177.57 178.27 3ceh h ILE 584 N -0.16 0.92 -0.69 4.57 2.04 -0.62 0.15 117.51 123.71 3ceh h ILE 584 Ca -0.00 -0.16 0.08 0.00 1.00 0.00 0.00 64.86 65.77 3ceh h ILE 584 Cb 0.14 0.42 -0.06 0.00 -0.74 0.00 0.00 36.82 36.58 3ceh h ILE 584 CO 0.01 0.08 0.36 0.74 0.00 0.00 0.00 178.15 179.35 3ceh h THR 585 N 0.46 0.91 -0.18 -0.27 2.02 -1.00 -1.16 112.91 113.68 3ceh h THR 585 Ca 0.23 -0.22 0.00 0.00 0.77 0.00 0.00 66.41 67.19 3ceh h THR 585 Cb 0.17 0.20 -0.01 0.00 -1.74 0.00 0.00 68.15 66.78 3ceh h THR 585 CO -0.18 0.12 0.11 0.24 0.37 0.00 0.00 175.52 176.18 3ceh h MET 586 N 0.65 0.24 0.26 6.66 2.86 0.16 -0.78 114.93 124.96 3ceh h MET 586 Ca 0.33 -0.02 0.01 0.00 -2.06 0.00 0.00 59.70 57.96 3ceh h MET 586 Cb 0.28 -0.05 -0.03 0.00 0.06 0.00 0.00 31.60 31.86 3ceh h MET 586 CO -0.23 0.17 -0.33 -0.92 1.06 0.00 0.00 176.91 176.66 3ceh h TYR 587 N 0.23 -0.90 -0.23 -0.22 3.20 -0.65 -2.08 116.97 116.32 3ceh h TYR 587 Ca 0.06 0.01 0.06 0.00 3.14 0.00 0.00 58.73 62.01 3ceh h TYR 587 Cb -0.01 0.36 -0.07 0.00 1.54 0.00 0.00 36.73 38.56 3ceh h TYR 587 CO -0.06 -0.46 -0.23 -0.91 -1.64 0.00 0.00 178.16 174.86 3ceh h ASN 588 N -0.65 -0.74 -1.07 -2.11 2.35 -1.16 -0.63 115.58 111.58 3ceh h ASN 588 Ca -0.00 0.13 0.28 0.00 -0.55 0.00 0.00 56.30 56.17 3ceh h ASN 588 Cb 0.62 0.35 -0.10 0.00 0.05 0.00 0.00 38.32 39.23 3ceh h ASN 588 CO -0.11 -0.27 0.68 0.03 -1.65 0.00 0.00 177.43 176.11 3ceh h ARG 589 N -0.24 0.36 0.18 0.81 3.08 -0.84 0.39 114.38 118.10 3ceh h ARG 589 Ca 0.13 -0.02 -0.01 0.00 0.07 0.00 0.00 59.98 60.15 3ceh h ARG 589 Cb 0.45 -0.08 0.00 0.00 0.08 0.00 0.00 29.97 30.42 3ceh h ARG 589 CO -0.37 0.24 -0.08 0.82 -1.07 0.00 0.00 179.97 179.50 3ceh h ILE 590 N 0.37 0.94 -0.22 2.04 2.04 -0.47 -3.11 117.51 119.10 3ceh h ILE 590 Ca 0.63 -0.83 0.06 0.00 1.00 0.00 0.00 64.86 65.72 3ceh h ILE 590 Cb 1.61 1.42 -0.07 0.00 -0.74 0.00 0.00 36.82 39.04 3ceh h ILE 590 CO -0.33 0.18 -0.26 0.11 0.00 0.00 0.00 178.15 177.85 3ceh h LYS 591 N -0.66 -0.28 -0.38 2.37 1.79 0.11 -2.38 116.57 117.14 3ceh h LYS 591 Ca -0.02 0.02 0.03 0.00 -2.18 0.00 0.00 60.65 58.50 3ceh h LYS 591 Cb 0.48 0.06 -0.03 0.00 -1.58 0.00 0.00 32.23 31.16 3ceh h LYS 591 CO 0.04 -0.18 0.18 -0.22 -1.08 0.00 0.00 179.45 178.18 3ceh h LYS 592 N -0.29 0.36 -2.68 3.15 3.64 -1.30 -3.38 116.57 116.06 3ceh h LYS 592 Ca 0.13 -0.02 -0.59 0.00 -1.27 0.00 0.00 60.65 58.89 3ceh h LYS 592 Cb 0.48 -0.08 -0.39 0.00 -0.41 0.00 0.00 32.23 31.83 3ceh h LYS 592 CO -0.38 0.24 -0.83 0.34 -2.27 0.00 0.00 179.45 176.55 3ceh s ASP 593 N -5.42 2.90 0.48 4.20 -1.08 -0.97 -5.00 116.67 111.78 3ceh s ASP 593 Ca -0.13 -2.68 0.28 0.00 -0.52 0.00 0.00 52.55 49.50 3ceh s ASP 593 Cb 0.12 -0.69 0.96 0.00 -1.46 0.00 0.00 42.92 41.85 3ceh s ASP 593 CO 0.72 -0.24 1.84 -0.65 0.52 0.00 0.00 175.17 177.35 3ceh h PRO 594 N 6.44 0.00 0.00 4.34 0.11 -1.64 -2.76 132.00 138.49 3ceh h PRO 594 Ca 0.10 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.21 3ceh h PRO 594 Cb 0.92 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.03 3ceh h PRO 594 CO 0.39 0.09 -0.70 1.63 -0.21 0.00 0.00 178.00 179.19 3ceh n LYS 595 N -3.18 0.24 -2.07 1.05 4.01 -1.26 -4.94 118.16 112.00 3ceh n LYS 595 Ca 0.01 0.05 -0.41 0.00 -0.51 0.00 0.00 58.31 57.45 3ceh n LYS 595 Cb 0.41 -1.63 -0.02 0.00 -0.51 0.00 0.00 35.03 33.28 3ceh n LYS 595 CO 0.00 0.00 0.00 0.21 -1.11 0.00 0.00 177.40 176.50 3ceh s LYS 596 N -3.14 4.32 -0.13 1.97 2.20 -1.04 -4.89 119.74 119.02 3ceh s LYS 596 Ca 0.06 2.26 -0.29 0.00 -0.36 0.00 0.00 55.97 57.65 3ceh s LYS 596 Cb 0.14 -3.07 -0.06 0.00 -1.51 0.00 0.00 37.83 33.33 3ceh s LYS 596 CO 0.74 -0.25 2.11 -1.17 -0.36 0.00 0.00 175.35 176.42 3ceh s LEU 597 N -1.63 3.79 -0.14 5.43 2.96 -1.26 -4.96 118.68 122.87 3ceh s LEU 597 Ca 0.51 2.14 0.00 0.00 -0.22 0.00 0.00 54.13 56.55 3ceh s LEU 597 Cb -0.41 -3.52 0.02 0.00 0.50 0.00 0.00 46.19 42.79 3ceh s LEU 597 CO 0.53 -1.63 -0.13 0.12 -1.32 0.00 0.00 176.35 173.91 3ceh s PHE 598 N 6.91 2.04 -0.36 5.38 2.19 -1.26 -5.10 117.98 127.77 3ceh s PHE 598 Ca 0.95 -1.13 -0.29 0.00 0.33 0.00 0.00 56.93 56.80 3ceh s PHE 598 Cb -0.36 -1.53 0.01 0.00 -1.31 0.00 0.00 43.02 39.83 3ceh s PHE 598 CO 0.37 -0.64 1.35 0.08 1.83 0.00 0.00 175.22 178.22 3ceh s VAL 599 N 1.51 4.02 0.28 3.12 1.01 -1.26 -4.96 120.40 124.13 3ceh s VAL 599 Ca 0.05 1.10 -0.30 0.00 0.00 0.00 0.00 61.98 62.82 3ceh s VAL 599 Cb -0.13 -4.19 -0.11 0.00 0.00 0.00 0.00 36.38 31.95 3ceh s VAL 599 CO -0.10 -0.64 1.55 -2.16 0.00 0.00 0.00 175.10 173.76 3ceh s PRO 600 N 4.56 4.16 0.06 2.72 0.04 -1.26 -4.88 135.00 140.41 3ceh s PRO 600 Ca 0.58 2.51 0.08 0.00 0.04 0.00 0.00 61.00 64.22 3ceh s PRO 600 Cb -0.15 -3.05 -0.03 0.00 0.04 0.00 0.00 34.50 31.32 3ceh s PRO 600 CO 0.28 -0.58 -0.23 1.03 0.04 0.00 0.00 177.00 177.55 3ceh s ARG 601 N -0.47 1.44 -0.37 4.56 0.52 -0.90 -0.43 118.95 123.29 3ceh s ARG 601 Ca 0.62 -1.06 -0.13 0.00 -0.52 0.00 0.00 55.73 54.65 3ceh s ARG 601 Cb -0.46 -1.64 0.01 0.00 0.52 0.00 0.00 34.95 33.38 3ceh s ARG 601 CO 0.47 0.41 0.25 0.99 0.02 0.00 0.00 175.30 177.43 3ceh s THR 602 N -0.88 5.03 -0.32 0.02 2.01 0.11 -3.03 115.64 118.57 3ceh s THR 602 Ca 0.09 -0.57 -0.17 0.00 0.31 0.00 0.00 61.69 61.35 3ceh s THR 602 Cb -0.09 -3.72 -0.02 0.00 0.01 0.00 0.00 72.50 68.68 3ceh s THR 602 CO 0.03 -0.18 0.44 -0.69 -0.69 0.00 0.00 174.62 173.53 3ceh s VAL 603 N 1.65 5.10 -0.20 3.82 1.01 0.09 -1.23 120.40 130.65 3ceh s VAL 603 Ca 0.04 0.36 -0.04 0.00 0.00 0.00 0.00 61.98 62.35 3ceh s VAL 603 Cb -0.18 -3.85 -0.02 0.00 0.00 0.00 0.00 36.38 32.33 3ceh s VAL 603 CO 0.09 -0.07 -0.04 -0.63 0.00 0.00 0.00 175.10 174.44 3ceh s ILE 604 N 2.21 3.53 -0.08 2.22 1.01 0.13 -1.45 121.20 128.76 3ceh s ILE 604 Ca 0.16 -0.46 0.05 0.00 0.00 0.00 0.00 60.65 60.40 3ceh s ILE 604 Cb -0.16 -2.58 -0.01 0.00 0.01 0.00 0.00 42.46 39.73 3ceh s ILE 604 CO 0.12 0.45 -0.24 -0.63 0.00 0.00 0.00 174.94 174.63 3ceh s ILE 605 N 1.08 2.11 0.07 2.92 1.01 -0.60 -0.02 121.20 127.77 3ceh s ILE 605 Ca 0.01 -1.03 -0.13 0.00 0.00 0.00 0.00 60.65 59.51 3ceh s ILE 605 Cb -0.15 -1.78 0.02 0.00 0.01 0.00 0.00 42.46 40.56 3ceh s ILE 605 CO 0.00 0.57 0.28 -0.83 0.00 0.00 0.00 174.94 174.96 3ceh s GLY 606 N 0.02 -0.08 0.00 6.18 0.00 -0.40 0.96 107.32 114.00 3ceh s GLY 606 Ca -0.09 -0.18 0.00 0.00 0.00 0.00 0.00 44.72 44.45 3ceh s GLY 606 CO 0.06 -0.40 0.00 0.61 0.00 0.00 0.00 173.10 173.37 3ceh n GLY 607 N 0.29 4.07 3.89 0.20 0.00 -1.24 -2.04 105.19 110.36 3ceh n GLY 607 Ca -0.17 -1.47 -0.34 0.00 0.00 0.00 0.00 46.02 44.04 3ceh n GLY 607 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3ceh s LYS 608 N -2.74 3.62 -0.11 1.61 1.02 -1.26 -4.61 119.74 117.27 3ceh s LYS 608 Ca 0.00 -0.05 -0.04 0.00 0.02 0.00 0.00 55.97 55.90 3ceh s LYS 608 Cb 0.00 -3.00 -0.04 0.00 -0.52 0.00 0.00 37.83 34.28 3ceh s LYS 608 CO 0.00 0.58 0.04 0.00 -0.92 0.00 0.00 175.35 175.04 3ceh s ALA 609 N -1.43 3.41 0.32 5.17 0.00 -1.26 -1.53 121.76 126.44 3ceh s ALA 609 Ca 0.33 -0.76 -0.29 0.00 0.00 0.00 0.00 51.96 51.23 3ceh s ALA 609 Cb -0.13 -1.64 -0.12 0.00 0.00 0.00 0.00 23.12 21.23 3ceh s ALA 609 CO 0.20 0.53 1.49 0.00 0.00 0.00 0.00 175.76 177.98 3ceh n ALA 610 N 2.34 2.14 0.17 0.00 0.00 -1.26 -4.89 120.51 119.01 3ceh n ALA 610 Ca -0.19 0.36 0.14 0.00 0.00 0.00 0.00 53.44 53.76 3ceh n ALA 610 Cb 0.54 -2.40 0.70 0.00 0.00 0.00 0.00 19.45 18.29 3ceh n ALA 610 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.50 176.15 3ceh h PRO 611 N 3.78 0.00 0.00 0.00 0.11 -1.98 -0.06 132.00 133.85 3ceh h PRO 611 Ca -0.48 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.63 3ceh h PRO 611 Cb 1.25 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.36 3ceh h PRO 611 CO 0.71 0.00 -0.68 0.41 -0.21 0.00 0.00 178.00 178.23 3ceh n GLY 612 N -1.54 -1.22 3.56 -0.55 0.00 -1.26 -4.79 105.19 99.38 3ceh n GLY 612 Ca 0.02 -0.38 -0.35 0.00 0.00 0.00 0.00 46.02 45.31 3ceh n GLY 612 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 3ceh s TYR 613 N -3.05 2.18 0.13 1.61 6.14 -0.04 -4.87 117.35 119.45 3ceh s TYR 613 Ca 0.09 -0.12 -0.20 0.00 0.64 0.00 0.00 57.07 57.48 3ceh s TYR 613 Cb 0.16 -4.39 -0.02 0.00 0.42 0.00 0.00 41.96 38.13 3ceh s TYR 613 CO 0.74 -1.87 1.70 1.25 0.64 0.00 0.00 175.55 178.01 3ceh h HIS 614 N 10.62 -0.14 -0.49 4.97 -0.00 -1.86 -2.83 115.15 125.41 3ceh h HIS 614 Ca 0.12 0.02 -0.06 0.00 -0.00 0.00 0.00 60.37 60.45 3ceh h HIS 614 Cb 1.01 0.09 -0.02 0.00 -0.00 0.00 0.00 27.41 28.50 3ceh h HIS 614 CO 1.24 -0.11 0.06 1.98 -0.00 0.00 0.00 177.93 181.10 3ceh h MET 615 N -0.02 0.83 -0.88 5.26 1.85 -1.97 -1.18 114.93 118.82 3ceh h MET 615 Ca 0.10 -0.24 0.17 0.00 -0.61 0.00 0.00 59.70 59.13 3ceh h MET 615 Cb 0.17 -0.09 -0.10 0.00 0.43 0.00 0.00 31.60 32.01 3ceh h MET 615 CO -0.22 0.84 0.46 0.00 -0.40 0.00 0.00 176.91 177.59 3ceh h ALA 616 N 0.96 1.38 -0.51 0.39 0.00 -1.89 0.15 119.26 119.73 3ceh h ALA 616 Ca 0.15 0.10 -0.11 0.00 0.00 0.00 0.00 54.91 55.05 3ceh h ALA 616 Cb 0.43 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.21 3ceh h ALA 616 CO 0.01 -0.14 -0.11 0.87 0.00 0.00 0.00 179.25 179.88 3ceh h LYS 617 N 0.60 0.96 0.08 0.00 1.57 -1.00 -1.83 116.57 116.94 3ceh h LYS 617 Ca 0.50 -0.35 -0.00 0.00 -1.87 0.00 0.00 60.65 58.94 3ceh h LYS 617 Cb 0.79 -0.06 -0.00 0.00 0.08 0.00 0.00 32.23 33.03 3ceh h LYS 617 CO -0.40 1.01 -0.04 0.52 -0.57 0.00 0.00 179.45 179.97 3ceh h MET 618 N 0.85 -0.11 -0.51 3.15 2.86 -0.76 -0.87 114.93 119.54 3ceh h MET 618 Ca 0.13 0.01 0.08 0.00 -2.06 0.00 0.00 59.70 57.86 3ceh h MET 618 Cb 0.66 0.03 -0.03 0.00 0.06 0.00 0.00 31.60 32.31 3ceh h MET 618 CO 0.05 -0.07 0.34 0.82 1.06 0.00 0.00 176.91 179.11 3ceh h ILE 619 N -0.11 0.92 0.64 -1.22 2.04 -0.56 0.28 117.51 119.49 3ceh h ILE 619 Ca -0.01 -0.12 -0.03 0.00 1.00 0.00 0.00 64.86 65.70 3ceh h ILE 619 Cb 0.09 0.54 0.01 0.00 -0.74 0.00 0.00 36.82 36.72 3ceh h ILE 619 CO 0.01 0.06 -0.31 0.40 0.00 0.00 0.00 178.15 178.32 3ceh h ILE 620 N 0.35 0.16 -0.99 -0.67 2.04 -0.97 -2.88 117.51 114.56 3ceh h ILE 620 Ca 0.23 -0.33 0.18 0.00 1.00 0.00 0.00 64.86 65.94 3ceh h ILE 620 Cb 0.45 0.22 -0.10 0.00 -0.74 0.00 0.00 36.82 36.65 3ceh h ILE 620 CO -0.06 0.02 0.59 0.50 0.00 0.00 0.00 178.15 179.21 3ceh h LYS 621 N -1.14 0.74 -0.70 2.37 3.11 0.24 0.29 116.57 121.49 3ceh h LYS 621 Ca -0.09 -0.04 0.10 0.00 -2.81 0.00 0.00 60.65 57.81 3ceh h LYS 621 Cb 0.69 -0.17 -0.08 0.00 -1.00 0.00 0.00 32.23 31.68 3ceh h LYS 621 CO 0.14 0.49 0.32 1.25 -2.81 0.00 0.00 179.45 178.85 3ceh h LEU 622 N 0.76 0.38 -0.12 5.20 5.85 -0.54 -1.63 115.31 125.23 3ceh h LEU 622 Ca 0.56 0.07 -0.03 0.00 0.84 0.00 0.00 57.88 59.32 3ceh h LEU 622 Cb 0.85 0.02 -0.00 0.00 0.37 0.00 0.00 40.66 41.89 3ceh h LEU 622 CO -0.38 0.21 -0.06 0.40 -0.34 0.00 0.00 178.44 178.27 3ceh h ILE 623 N 0.54 1.32 -0.31 4.05 2.04 -0.20 -0.50 117.51 124.45 3ceh h ILE 623 Ca 0.35 -1.09 -0.03 0.00 1.00 0.00 0.00 64.86 65.09 3ceh h ILE 623 Cb 0.42 1.80 -0.02 0.00 -0.74 0.00 0.00 36.82 38.28 3ceh h ILE 623 CO -0.30 0.31 0.07 0.71 0.00 0.00 0.00 178.15 178.94 3ceh h THR 624 N -0.11 1.15 0.38 -0.27 1.35 -1.41 1.00 112.91 115.00 3ceh h THR 624 Ca 0.03 -0.53 -0.02 0.00 -0.55 0.00 0.00 66.41 65.33 3ceh h THR 624 Cb 0.52 0.85 0.00 0.00 -1.73 0.00 0.00 68.15 67.79 3ceh h THR 624 CO 0.02 0.19 -0.18 0.28 -0.25 0.00 0.00 175.52 175.58 3ceh h SER 625 N 0.44 -0.43 -0.17 5.36 0.02 -0.98 -1.99 113.55 115.80 3ceh h SER 625 Ca 0.10 -0.03 0.04 0.00 -0.84 0.00 0.00 61.79 61.06 3ceh h SER 625 Cb 0.18 0.11 -0.03 0.00 0.14 0.00 0.00 62.40 62.80 3ceh h SER 625 CO -0.00 -0.25 -0.05 0.58 -1.14 0.00 0.00 176.83 175.97 3ceh h VAL 626 N -0.57 0.82 -0.77 2.27 2.07 -0.36 -1.31 116.25 118.40 3ceh h VAL 626 Ca -0.05 0.00 0.14 0.00 0.82 0.00 0.00 66.70 67.60 3ceh h VAL 626 Cb 0.43 0.82 -0.09 0.00 -1.52 0.00 0.00 31.29 30.92 3ceh h VAL 626 CO 0.08 0.00 0.34 0.00 0.02 0.00 0.00 177.57 178.01 3ceh h ALA 627 N 1.17 1.09 0.36 1.67 0.00 -0.78 0.46 119.26 123.23 3ceh h ALA 627 Ca 0.08 0.10 -0.00 0.00 0.00 0.00 0.00 54.91 55.09 3ceh h ALA 627 Cb 0.13 0.05 -0.02 0.00 0.00 0.00 0.00 17.79 17.95 3ceh h ALA 627 CO -0.18 -0.16 -0.36 -0.44 0.00 0.00 0.00 179.25 178.11 3ceh h ASP 628 N 0.50 -0.97 -0.14 0.00 3.32 -0.46 0.42 116.42 119.09 3ceh h ASP 628 Ca 0.41 0.08 0.03 0.00 0.02 0.00 0.00 57.03 57.57 3ceh h ASP 628 Cb 0.60 0.33 -0.05 0.00 0.22 0.00 0.00 39.33 40.42 3ceh h ASP 628 CO -0.37 -0.50 -0.43 0.58 -1.72 0.00 0.00 179.24 176.80 3ceh h VAL 629 N -0.74 0.00 -0.55 -1.35 2.07 -0.99 -3.05 116.25 111.64 3ceh h VAL 629 Ca -0.02 0.00 0.01 0.00 0.82 0.00 0.00 66.70 67.50 3ceh h VAL 629 Cb 0.67 0.00 -0.03 0.00 -1.52 0.00 0.00 31.29 30.41 3ceh h VAL 629 CO -0.06 0.00 0.36 0.58 0.02 0.00 0.00 177.57 178.47 3ceh h VAL 630 N -0.44 1.14 0.00 2.57 2.07 0.60 -2.29 116.25 119.91 3ceh h VAL 630 Ca 0.03 -0.26 0.00 0.00 0.82 0.00 0.00 66.70 67.29 3ceh h VAL 630 Cb 0.52 0.33 0.00 0.00 -1.52 0.00 0.00 31.29 30.62 3ceh h VAL 630 CO -0.36 0.14 0.00 0.59 0.02 0.00 0.00 177.57 177.95 3ceh n ASN 631 N -4.70 0.70 -0.23 0.57 4.13 0.14 -2.96 115.26 112.90 3ceh n ASN 631 Ca 0.03 0.66 0.03 0.00 1.68 0.00 0.00 54.58 56.99 3ceh n ASN 631 Cb 0.02 -0.81 0.03 0.00 -1.54 0.00 0.00 39.78 37.47 3ceh n ASN 631 CO 0.00 0.00 0.00 0.59 0.28 0.00 0.00 177.26 178.13 3ceh n ASN 632 N -2.26 1.52 -4.60 6.41 3.02 -0.91 -4.92 115.26 113.53 3ceh n ASN 632 Ca 0.02 -1.27 -0.43 0.00 -0.03 0.00 0.00 54.58 52.87 3ceh n ASN 632 Cb 0.25 -0.01 -0.02 0.00 -0.61 0.00 0.00 39.78 39.39 3ceh n ASN 632 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 3ceh s ASP 633 N -0.50 6.60 0.56 6.41 3.68 -0.94 -4.87 116.67 127.62 3ceh s ASP 633 Ca 0.07 0.40 0.29 0.00 2.13 0.00 0.00 52.55 55.44 3ceh s ASP 633 Cb 0.05 -2.55 1.68 0.00 -1.45 0.00 0.00 42.92 40.65 3ceh s ASP 633 CO 0.07 -1.28 2.19 1.55 0.13 0.00 0.00 175.17 177.82 3ceh h PRO 634 N 9.28 0.00 0.00 4.34 0.13 -1.92 -0.62 132.00 143.20 3ceh h PRO 634 Ca -0.23 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.89 3ceh h PRO 634 Cb 1.06 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.19 3ceh h PRO 634 CO 1.13 0.05 -0.05 1.98 -0.23 0.00 0.00 178.00 180.88 3ceh h MET 635 N 0.00 0.00 0.05 0.86 4.05 -1.97 -3.18 114.93 114.74 3ceh h MET 635 Ca -0.00 0.00 -0.38 0.00 -0.28 0.00 0.00 59.70 59.04 3ceh h MET 635 Cb 0.13 0.00 -0.05 0.00 -0.80 0.00 0.00 31.60 30.88 3ceh h MET 635 CO 0.01 0.05 -2.28 1.33 0.23 0.00 0.00 176.91 176.25 3ceh n VAL 636 N -3.23 1.60 0.00 -5.77 0.24 -0.27 -5.00 118.33 105.90 3ceh n VAL 636 Ca -0.01 -0.58 0.00 0.00 -2.04 0.00 0.00 64.34 61.71 3ceh n VAL 636 Cb 0.26 -1.57 0.00 0.00 -1.47 0.00 0.00 33.84 31.06 3ceh n VAL 636 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3ceh n GLY 637 N 2.10 2.61 0.69 7.63 0.00 -1.01 -1.60 105.19 115.61 3ceh n GLY 637 Ca -0.41 0.34 0.06 0.00 0.00 0.00 0.00 46.02 46.00 3ceh n GLY 637 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3ceh n SER 638 N 5.15 2.00 0.12 1.61 3.41 -1.26 -3.86 113.62 120.79 3ceh n SER 638 Ca 0.00 -2.03 -0.23 0.00 -0.26 0.00 0.00 58.87 56.35 3ceh n SER 638 Cb 0.00 -0.26 -0.15 0.00 -0.26 0.00 0.00 64.21 63.53 3ceh n SER 638 CO 0.00 0.00 0.00 0.11 -0.16 0.00 0.00 175.04 174.99 3ceh h LYS 639 N 2.08 0.45 -4.15 4.33 1.57 -1.66 -3.45 116.57 115.74 3ceh h LYS 639 Ca 0.00 -0.78 -0.45 0.00 -1.87 0.00 0.00 60.65 57.55 3ceh h LYS 639 Cb 0.53 0.29 -0.34 0.00 0.08 0.00 0.00 32.23 32.78 3ceh h LYS 639 CO 0.02 1.36 -0.79 -1.17 -0.57 0.00 0.00 179.45 178.31 3ceh s LEU 640 N -7.43 1.34 -0.05 2.94 2.96 -1.25 -2.13 118.68 115.07 3ceh s LEU 640 Ca -0.09 -0.19 0.01 0.00 -0.22 0.00 0.00 54.13 53.64 3ceh s LEU 640 Cb 0.05 -0.58 0.02 0.00 0.50 0.00 0.00 46.19 46.18 3ceh s LEU 640 CO 0.92 -0.05 -0.05 -0.54 -1.32 0.00 0.00 176.35 175.31 3ceh s LYS 641 N 1.01 0.89 -0.14 1.98 -0.14 -1.17 -4.66 119.74 117.52 3ceh s LYS 641 Ca -0.09 -0.12 -0.01 0.00 -1.36 0.00 0.00 55.97 54.38 3ceh s LYS 641 Cb -0.14 -0.89 -0.02 0.00 -1.68 0.00 0.00 37.83 35.10 3ceh s LYS 641 CO -0.00 -0.08 -0.10 0.08 -0.76 0.00 0.00 175.35 174.49 3ceh s VAL 642 N 0.92 3.34 -0.12 3.17 1.01 -1.26 -0.73 120.40 126.73 3ceh s VAL 642 Ca -0.11 -0.56 0.03 0.00 0.00 0.00 0.00 61.98 61.35 3ceh s VAL 642 Cb -0.14 -2.43 0.01 0.00 0.00 0.00 0.00 36.38 33.81 3ceh s VAL 642 CO 0.00 0.51 -0.23 -0.63 0.00 0.00 0.00 175.10 174.76 3ceh s ILE 643 N 0.34 2.03 -0.21 2.22 -1.09 -0.53 -4.83 121.20 119.13 3ceh s ILE 643 Ca -0.09 -0.98 -0.21 0.00 -2.23 0.00 0.00 60.65 57.14 3ceh s ILE 643 Cb -0.15 -1.78 -0.02 0.00 -1.58 0.00 0.00 42.46 38.93 3ceh s ILE 643 CO 0.05 0.55 0.65 0.12 -1.23 0.00 0.00 174.94 175.08 3ceh s PHE 644 N 0.59 3.36 -0.49 3.97 5.36 -1.26 -1.56 117.98 127.95 3ceh s PHE 644 Ca -0.13 0.94 -0.21 0.00 -0.96 0.00 0.00 56.93 56.57 3ceh s PHE 644 Cb -0.17 -2.83 0.04 0.00 -0.34 0.00 0.00 43.02 39.72 3ceh s PHE 644 CO 0.03 -0.22 0.69 -1.17 -1.46 0.00 0.00 175.22 173.10 3ceh s LEU 645 N 2.09 4.63 0.45 6.12 0.20 0.27 -4.97 118.68 127.48 3ceh s LEU 645 Ca 0.29 -0.60 -0.23 0.00 0.69 0.00 0.00 54.13 54.28 3ceh s LEU 645 Cb -0.16 -2.62 -0.08 0.00 -0.43 0.00 0.00 46.19 42.90 3ceh s LEU 645 CO 0.10 -0.92 1.12 -1.61 -0.29 0.00 0.00 176.35 174.75 3ceh s GLU 646 N 2.95 3.84 -1.65 1.98 2.02 -1.26 -3.98 118.70 122.59 3ceh s GLU 646 Ca 0.21 1.65 -0.03 0.00 0.02 0.00 0.00 54.97 56.82 3ceh s GLU 646 Cb -0.16 -2.38 0.00 0.00 0.10 0.00 0.00 34.13 31.69 3ceh s GLU 646 CO 0.16 -0.45 0.39 -1.71 0.02 0.00 0.00 175.26 173.66 3ceh n ASN 647 N -0.49 -6.10 -4.56 -0.19 5.15 -1.24 -4.91 115.26 102.92 3ceh n ASN 647 Ca 0.07 -0.19 -0.54 0.00 -0.60 0.00 0.00 54.58 53.33 3ceh n ASN 647 Cb 0.49 -4.98 -0.06 0.00 -0.53 0.00 0.00 39.78 34.70 3ceh n ASN 647 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 3ceh n TYR 648 N -4.35 1.17 -3.68 1.20 9.36 -1.26 -4.88 117.16 114.73 3ceh n TYR 648 Ca -0.17 0.78 0.01 0.00 3.32 0.00 0.00 57.90 61.85 3ceh n TYR 648 Cb 0.65 -2.24 -0.00 0.00 -0.63 0.00 0.00 39.34 37.11 3ceh n TYR 648 CO 0.00 0.00 0.00 -0.98 0.22 0.00 0.00 176.86 176.10 3ceh s ARG 649 N 0.20 0.46 0.16 2.98 1.70 -1.26 -4.77 118.95 118.42 3ceh s ARG 649 Ca 0.85 -0.26 -0.23 0.00 -0.47 0.00 0.00 55.73 55.62 3ceh s ARG 649 Cb -1.04 0.15 0.06 0.00 -0.57 0.00 0.00 34.95 33.55 3ceh s ARG 649 CO 0.51 -0.21 1.60 0.28 -1.08 0.00 0.00 175.30 176.40 3ceh h VAL 650 N 2.00 0.25 0.00 4.99 2.07 -1.94 0.97 116.25 124.60 3ceh h VAL 650 Ca -0.29 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.22 3ceh h VAL 650 Cb 1.20 0.25 -0.00 0.00 -1.52 0.00 0.00 31.29 31.22 3ceh h VAL 650 CO 0.29 0.00 -0.06 0.77 0.02 0.00 0.00 177.57 178.59 3ceh h SER 651 N -0.25 0.00 0.18 0.57 4.64 -1.96 -2.13 113.55 114.61 3ceh h SER 651 Ca 0.17 0.00 -0.25 0.00 -0.47 0.00 0.00 61.79 61.23 3ceh h SER 651 Cb 0.53 0.00 0.03 0.00 -0.31 0.00 0.00 62.40 62.65 3ceh h SER 651 CO -0.52 0.06 -1.11 0.25 -0.87 0.00 0.00 176.83 174.64 3ceh h LEU 652 N 0.00 0.66 -0.68 5.97 5.85 -1.31 -3.21 115.31 122.60 3ceh h LEU 652 Ca -0.00 -0.92 0.15 0.00 0.84 0.00 0.00 57.88 57.95 3ceh h LEU 652 Cb 0.45 -0.21 -0.11 0.00 0.37 0.00 0.00 40.66 41.15 3ceh h LEU 652 CO 0.01 1.53 0.02 0.00 -0.34 0.00 0.00 178.44 179.66 3ceh h ALA 653 N 0.14 0.70 -0.48 1.25 0.00 -0.59 0.10 119.26 120.39 3ceh h ALA 653 Ca -0.19 0.21 0.14 0.00 0.00 0.00 0.00 54.91 55.07 3ceh h ALA 653 Cb 1.86 0.35 -0.02 0.00 0.00 0.00 0.00 17.79 19.99 3ceh h ALA 653 CO 0.21 -0.40 0.36 0.93 0.00 0.00 0.00 179.25 180.35 3ceh h GLU 654 N 0.13 0.00 0.00 0.00 5.08 -1.46 -0.81 114.58 117.52 3ceh h GLU 654 Ca 0.36 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.72 3ceh h GLU 654 Cb 0.61 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.86 3ceh h GLU 654 CO -0.58 0.00 -0.02 0.87 -1.00 0.00 0.00 179.01 178.28 3ceh h LYS 655 N 0.00 0.00 -0.11 2.33 1.57 -0.85 -3.40 116.57 116.11 3ceh h LYS 655 Ca 0.23 0.00 -0.16 0.00 -1.87 0.00 0.00 60.65 58.85 3ceh h LYS 655 Cb 0.95 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.25 3ceh h LYS 655 CO -0.00 0.47 -0.61 -0.24 -0.57 0.00 0.00 179.45 178.50 3ceh h VAL 656 N -1.00 1.36 0.50 0.50 3.04 -1.06 -3.35 116.25 116.25 3ceh h VAL 656 Ca -0.00 -1.94 -0.02 0.00 -1.01 0.00 0.00 66.70 63.72 3ceh h VAL 656 Cb 0.48 1.94 0.00 0.00 -2.01 0.00 0.00 31.29 31.71 3ceh h VAL 656 CO -0.00 0.59 -0.24 0.40 -1.01 0.00 0.00 177.57 177.30 3ceh h ILE 657 N 0.28 0.47 0.00 3.17 2.04 -1.36 -2.27 117.51 119.84 3ceh h ILE 657 Ca -0.01 -0.25 0.00 0.00 1.00 0.00 0.00 64.86 65.61 3ceh h ILE 657 Cb 1.14 0.57 0.00 0.00 -0.74 0.00 0.00 36.82 37.79 3ceh h ILE 657 CO 0.10 0.04 0.22 -0.65 0.00 0.00 0.00 178.15 177.86 3ceh h PRO 658 N -0.83 0.00 -0.72 2.37 0.11 -1.77 -0.42 132.00 130.73 3ceh h PRO 658 Ca -0.07 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.04 3ceh h PRO 658 Cb 0.58 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.69 3ceh h PRO 658 CO 0.11 0.00 0.00 0.00 -0.21 0.00 0.00 178.00 177.90 3ceh n ALA 659 N -1.67 2.53 -2.77 -0.75 0.00 -0.86 -4.73 120.51 112.26 3ceh n ALA 659 Ca -0.01 -1.34 -0.36 0.00 0.00 0.00 0.00 53.44 51.73 3ceh n ALA 659 Cb 0.25 -0.96 -0.08 0.00 0.00 0.00 0.00 19.45 18.66 3ceh n ALA 659 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 3ceh s THR 660 N -1.19 4.85 -0.21 0.00 2.01 -0.17 -4.55 115.64 116.38 3ceh s THR 660 Ca 0.49 -0.04 0.12 0.00 0.31 0.00 0.00 61.69 62.56 3ceh s THR 660 Cb 0.27 -3.08 -0.22 0.00 0.01 0.00 0.00 72.50 69.48 3ceh s THR 660 CO 0.31 0.61 0.03 0.47 -0.69 0.00 0.00 174.62 175.35 3ceh n ASP 661 N 2.09 0.78 -3.73 3.53 8.00 -0.42 -4.17 116.55 122.63 3ceh n ASP 661 Ca -0.19 -0.01 -0.22 0.00 0.71 0.00 0.00 54.79 55.08 3ceh n ASP 661 Cb 0.54 0.40 -0.18 0.00 -0.02 0.00 0.00 41.12 41.87 3ceh n ASP 661 CO 0.00 0.00 0.00 -0.22 -0.39 0.00 0.00 177.20 176.59 3ceh s LEU 662 N -5.92 0.48 -0.47 0.64 2.96 -0.10 -1.29 118.68 114.98 3ceh s LEU 662 Ca -0.18 -0.09 -0.15 0.00 -0.22 0.00 0.00 54.13 53.48 3ceh s LEU 662 Cb 0.07 -0.35 0.07 0.00 0.50 0.00 0.00 46.19 46.48 3ceh s LEU 662 CO 0.75 -0.22 0.39 -0.55 -1.32 0.00 0.00 176.35 175.40 3ceh s SER 663 N 2.03 6.11 -0.07 3.68 0.15 0.14 -0.27 113.70 125.47 3ceh s SER 663 Ca 0.05 -1.34 -0.30 0.00 0.70 0.00 0.00 55.95 55.06 3ceh s SER 663 Cb -0.13 -2.17 -0.05 0.00 -1.71 0.00 0.00 66.02 61.96 3ceh s SER 663 CO -0.05 -0.64 1.66 -1.61 1.20 0.00 0.00 173.24 173.80 3ceh s GLU 664 N 1.62 4.14 -0.41 5.44 0.41 -0.47 -1.28 118.70 128.15 3ceh s GLU 664 Ca 0.04 2.15 0.07 0.00 -0.41 0.00 0.00 54.97 56.82 3ceh s GLU 664 Cb -0.24 -4.00 0.24 0.00 -1.78 0.00 0.00 34.13 28.35 3ceh s GLU 664 CO 0.06 -0.90 0.55 1.04 -0.49 0.00 0.00 175.26 175.53 3ceh n GLN 665 N 7.19 0.66 -2.46 1.61 1.13 -0.68 -4.70 117.38 120.13 3ceh n GLN 665 Ca 0.18 -3.00 -0.15 0.00 -1.94 0.00 0.00 57.00 52.09 3ceh n GLN 665 Cb 0.43 -1.30 0.03 0.00 0.11 0.00 0.00 30.24 29.51 3ceh n GLN 665 CO 0.00 0.00 0.00 0.44 -1.44 0.00 0.00 177.06 176.06 3ceh n ILE 666 N 1.61 1.86 -1.26 5.09 -5.35 -1.26 -2.96 119.36 117.10 3ceh n ILE 666 Ca 0.20 -3.78 -0.33 0.00 -0.27 0.00 0.00 62.75 58.58 3ceh n ILE 666 Cb 0.54 -0.13 0.11 0.00 -1.74 0.00 0.00 39.64 38.42 3ceh n ILE 666 CO 0.00 0.00 0.00 -0.94 -1.76 0.00 0.00 176.55 173.85 3ceh s SER 667 N -3.57 3.97 0.35 7.28 1.04 -1.24 -4.57 113.70 116.97 3ceh s SER 667 Ca 0.39 2.24 -0.28 0.00 0.48 0.00 0.00 55.95 58.77 3ceh s SER 667 Cb 0.39 -2.57 -0.11 0.00 0.10 0.00 0.00 66.02 63.83 3ceh s SER 667 CO -0.03 -2.40 1.44 -0.89 0.98 0.00 0.00 173.24 172.34 3ceh s THR 668 N -2.27 2.27 0.48 2.02 2.01 -1.10 -4.69 115.64 114.36 3ceh s THR 668 Ca 0.71 0.27 -0.24 0.00 0.31 0.00 0.00 61.69 62.74 3ceh s THR 668 Cb -0.26 -3.17 -0.08 0.00 0.01 0.00 0.00 72.50 69.00 3ceh s THR 668 CO 0.49 0.06 1.30 0.00 -0.69 0.00 0.00 174.62 175.78 3ceh n ALA 669 N 0.77 1.42 0.00 7.40 0.00 -1.26 -2.01 120.51 126.82 3ceh n ALA 669 Ca 0.01 0.20 0.00 0.00 0.00 0.00 0.00 53.44 53.65 3ceh n ALA 669 Cb 0.40 -2.30 0.00 0.00 0.00 0.00 0.00 19.45 17.55 3ceh n ALA 669 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3ceh n GLY 670 N 0.80 2.74 0.02 0.00 0.00 -1.26 -4.84 105.19 102.64 3ceh n GLY 670 Ca 0.08 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.21 3ceh n GLY 670 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3ceh n THR 671 N -2.00 0.08 -3.72 2.61 -2.24 -0.85 -4.85 114.28 103.30 3ceh n THR 671 Ca 0.00 -0.36 -0.38 0.00 -2.27 0.00 0.00 64.05 61.04 3ceh n THR 671 Cb 0.00 0.22 -0.12 0.00 -2.10 0.00 0.00 70.33 68.33 3ceh n THR 671 CO 0.00 0.00 0.00 -0.70 -0.57 0.00 0.00 175.07 173.80 3ceh s GLU 672 N -3.34 2.49 0.18 -0.78 2.56 -1.26 -4.87 118.70 113.68 3ceh s GLU 672 Ca -0.02 -1.39 -0.24 0.00 0.00 0.00 0.00 54.97 53.32 3ceh s GLU 672 Cb 0.14 -3.56 0.07 0.00 2.00 0.00 0.00 34.13 32.79 3ceh s GLU 672 CO 0.87 -0.83 1.57 0.00 -0.56 0.00 0.00 175.26 176.32 3ceh h ALA 673 N 8.23 -0.21 0.00 6.30 0.00 -1.89 -3.10 119.26 128.60 3ceh h ALA 673 Ca -0.21 0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.83 3ceh h ALA 673 Cb 1.07 0.89 0.00 0.00 0.00 0.00 0.00 17.79 19.76 3ceh h ALA 673 CO 0.66 -0.76 0.00 0.45 0.00 0.00 0.00 179.25 179.60 3ceh n SER 674 N -5.42 -0.56 0.00 0.00 2.88 -1.26 -4.33 113.62 104.93 3ceh n SER 674 Ca 0.03 0.43 0.00 0.00 -1.33 0.00 0.00 58.87 58.00 3ceh n SER 674 Cb 0.35 0.70 0.00 0.00 -0.75 0.00 0.00 64.21 64.51 3ceh n SER 674 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 3ceh n GLY 675 N 1.12 -2.51 0.00 0.46 0.00 -1.26 0.14 105.19 103.14 3ceh n GLY 675 Ca 0.00 -1.37 0.00 0.00 0.00 0.00 0.00 46.02 44.65 3ceh n GLY 675 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3ceh n THR 676 N -1.48 0.00 -0.24 2.61 -2.24 -1.26 -4.73 114.28 106.95 3ceh n THR 676 Ca 0.00 0.00 -0.01 0.00 -2.27 0.00 0.00 64.05 61.77 3ceh n THR 676 Cb 0.00 -0.27 0.06 0.00 -2.10 0.00 0.00 70.33 68.02 3ceh n THR 676 CO 0.00 0.00 0.00 1.23 -0.57 0.00 0.00 175.07 175.73 3ceh h GLY 677 N 0.00 0.34 -0.73 3.38 0.00 -1.96 -1.12 103.07 102.97 3ceh h GLY 677 Ca 0.00 0.29 0.15 0.00 0.00 0.00 0.00 47.33 47.77 3ceh h GLY 677 CO 0.00 -0.25 -0.32 3.45 0.00 0.00 0.00 176.54 179.42 3ceh h ASN 678 N -0.05 -1.15 -0.37 0.19 -1.07 -1.95 0.19 115.58 111.37 3ceh h ASN 678 Ca 0.31 0.27 0.05 0.00 0.07 0.00 0.00 56.30 57.00 3ceh h ASN 678 Cb 0.53 0.63 -0.05 0.00 -2.07 0.00 0.00 38.32 37.36 3ceh h ASN 678 CO -0.72 -0.29 0.08 0.24 0.07 0.00 0.00 177.43 176.81 3ceh h MET 679 N -0.05 0.21 -0.43 4.14 2.86 -1.54 -2.01 114.93 118.11 3ceh h MET 679 Ca 0.33 -0.01 -0.04 0.00 -2.06 0.00 0.00 59.70 57.92 3ceh h MET 679 Cb 0.59 -0.05 -0.02 0.00 0.06 0.00 0.00 31.60 32.19 3ceh h MET 679 CO -0.86 0.14 0.11 0.87 1.06 0.00 0.00 176.91 178.22 3ceh h LYS 680 N 0.21 0.64 -0.59 1.72 1.57 0.24 -1.72 116.57 118.65 3ceh h LYS 680 Ca 0.18 -0.11 -0.10 0.00 -1.87 0.00 0.00 60.65 58.74 3ceh h LYS 680 Cb 0.20 -0.11 -0.02 0.00 0.08 0.00 0.00 32.23 32.38 3ceh h LYS 680 CO -0.22 0.58 -0.04 0.74 -0.57 0.00 0.00 179.45 179.94 3ceh h PHE 681 N 0.62 1.17 -0.45 -1.35 0.04 -0.78 -2.97 116.94 113.22 3ceh h PHE 681 Ca 0.14 -0.22 -0.03 0.00 2.80 0.00 0.00 57.97 60.67 3ceh h PHE 681 Cb 0.23 -0.30 -0.02 0.00 2.20 0.00 0.00 35.95 38.06 3ceh h PHE 681 CO 0.01 1.04 0.17 1.98 -0.60 0.00 0.00 178.31 180.92 3ceh h MET 682 N 0.96 0.68 0.00 1.51 4.05 -0.84 -1.08 114.93 120.22 3ceh h MET 682 Ca 0.16 -0.13 -0.08 0.00 -0.28 0.00 0.00 59.70 59.38 3ceh h MET 682 Cb 0.61 -0.11 -0.01 0.00 -0.80 0.00 0.00 31.60 31.29 3ceh h MET 682 CO 0.04 0.63 -0.37 1.25 0.23 0.00 0.00 176.91 178.69 3ceh h LEU 683 N 0.59 0.00 -2.26 3.39 5.85 -1.37 -3.15 115.31 118.37 3ceh h LEU 683 Ca 0.15 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.87 3ceh h LEU 683 Cb 0.21 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.24 3ceh h LEU 683 CO -0.01 0.37 0.00 0.59 -0.34 0.00 0.00 178.44 179.05 3ceh n ASN 684 N -3.81 3.38 -0.11 1.25 3.02 -0.93 -4.90 115.26 113.15 3ceh n ASN 684 Ca -0.01 -2.23 0.00 0.00 -0.03 0.00 0.00 54.58 52.31 3ceh n ASN 684 Cb 0.44 -0.45 0.00 0.00 -0.61 0.00 0.00 39.78 39.16 3ceh n ASN 684 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3ceh n GLY 685 N 1.04 0.92 3.76 7.41 0.00 -1.17 -4.79 105.19 112.36 3ceh n GLY 685 Ca 0.18 -0.56 -0.28 0.00 0.00 0.00 0.00 46.02 45.37 3ceh n GLY 685 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ceh s ALA 686 N -2.23 3.49 0.12 4.61 0.00 -0.45 -4.77 121.76 122.53 3ceh s ALA 686 Ca 0.00 -1.18 -0.09 0.00 0.00 0.00 0.00 51.96 50.69 3ceh s ALA 686 Cb 0.00 -1.31 -0.06 0.00 0.00 0.00 0.00 23.12 21.74 3ceh s ALA 686 CO 0.00 0.58 0.43 -0.51 0.00 0.00 0.00 175.76 176.26 3ceh s LEU 687 N -2.84 4.31 -0.13 0.00 1.43 -0.41 -4.45 118.68 116.59 3ceh s LEU 687 Ca 0.30 0.80 -0.04 0.00 -1.03 0.00 0.00 54.13 54.16 3ceh s LEU 687 Cb -0.11 -3.16 -0.03 0.00 0.03 0.00 0.00 46.19 42.92 3ceh s LEU 687 CO 0.22 0.11 0.01 -0.89 0.23 0.00 0.00 176.35 176.03 3ceh s THR 688 N -1.51 4.32 -0.22 5.49 2.01 -1.26 -0.69 115.64 123.79 3ceh s THR 688 Ca 0.37 -0.22 -0.02 0.00 0.31 0.00 0.00 61.69 62.13 3ceh s THR 688 Cb -0.13 -2.88 0.01 0.00 0.01 0.00 0.00 72.50 69.51 3ceh s THR 688 CO 0.20 0.53 -0.09 -0.51 -0.69 0.00 0.00 174.62 174.06 3ceh s ILE 689 N -0.17 2.84 0.02 1.82 2.07 -0.40 -2.18 121.20 125.20 3ceh s ILE 689 Ca 0.05 -0.84 -0.03 0.00 -1.41 0.00 0.00 60.65 58.42 3ceh s ILE 689 Cb -0.12 -2.35 0.01 0.00 0.13 0.00 0.00 42.46 40.13 3ceh s ILE 689 CO 0.02 0.34 0.14 0.61 -1.91 0.00 0.00 174.94 174.15 3ceh n GLY 690 N 4.70 1.13 3.95 1.50 0.00 -0.55 -1.68 105.19 114.23 3ceh n GLY 690 Ca -0.18 -0.94 -0.23 0.00 0.00 0.00 0.00 46.02 44.67 3ceh n GLY 690 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3ceh s THR 691 N -2.46 3.78 -1.25 2.61 -4.23 -1.15 -1.80 115.64 111.14 3ceh s THR 691 Ca 0.03 -0.50 -0.20 0.00 -1.18 0.00 0.00 61.69 59.84 3ceh s THR 691 Cb -0.00 -3.40 0.02 0.00 1.34 0.00 0.00 72.50 70.46 3ceh s THR 691 CO 0.01 -0.29 1.78 -0.04 -0.54 0.00 0.00 174.62 175.54 3ceh s MET 692 N -4.60 3.55 -0.02 3.99 -1.94 -1.26 -4.69 119.30 114.32 3ceh s MET 692 Ca 0.50 -1.71 -0.18 0.00 -1.71 0.00 0.00 55.69 52.59 3ceh s MET 692 Cb -0.10 -5.44 0.03 0.00 2.01 0.00 0.00 34.83 31.33 3ceh s MET 692 CO 0.38 -2.74 0.39 0.34 -0.01 0.00 0.00 175.02 173.38 3ceh s ASP 693 N 4.93 -0.29 0.49 3.03 3.68 -1.26 -4.66 116.67 122.59 3ceh s ASP 693 Ca 0.58 0.22 0.00 0.00 2.13 0.00 0.00 52.55 55.48 3ceh s ASP 693 Cb 0.02 0.36 0.00 0.00 -1.45 0.00 0.00 42.92 41.85 3ceh s ASP 693 CO 0.08 -0.48 0.00 0.61 0.13 0.00 0.00 175.17 175.52 3ceh n GLY 694 N 1.21 1.79 0.00 2.66 0.00 -1.17 -1.41 105.19 108.26 3ceh n GLY 694 Ca -0.21 -0.40 0.12 0.00 0.00 0.00 0.00 46.02 45.53 3ceh n GLY 694 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ceh n ALA 695 N 6.17 2.26 -0.33 4.61 0.00 0.12 -3.04 120.51 130.28 3ceh n ALA 695 Ca 0.00 -0.12 0.08 0.00 0.00 0.00 0.00 53.44 53.40 3ceh n ALA 695 Cb 0.00 -1.40 0.27 0.00 0.00 0.00 0.00 19.45 18.32 3ceh n ALA 695 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 177.50 176.59 3ceh h ASN 696 N 0.00 0.87 -0.16 0.00 4.21 -1.41 0.21 115.58 119.30 3ceh h ASN 696 Ca 0.00 0.04 0.03 0.00 1.21 0.00 0.00 56.30 57.58 3ceh h ASN 696 Cb 0.20 -0.14 -0.03 0.00 -1.12 0.00 0.00 38.32 37.24 3ceh h ASN 696 CO 0.00 0.48 -0.01 0.58 -1.29 0.00 0.00 177.43 177.18 3ceh h VAL 697 N 0.94 0.87 0.00 2.81 2.07 -1.61 -0.32 116.25 121.01 3ceh h VAL 697 Ca 0.47 -0.01 -0.07 0.00 0.82 0.00 0.00 66.70 67.91 3ceh h VAL 697 Cb 0.49 0.83 -0.01 0.00 -1.52 0.00 0.00 31.29 31.08 3ceh h VAL 697 CO -0.23 0.01 -0.32 -0.33 0.02 0.00 0.00 177.57 176.71 3ceh h GLU 698 N 0.04 0.00 -0.51 1.57 5.08 -0.88 -0.92 114.58 118.96 3ceh h GLU 698 Ca 0.08 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.43 3ceh h GLU 698 Cb 0.10 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.33 3ceh h GLU 698 CO -0.14 0.32 0.31 0.52 -1.00 0.00 0.00 179.01 179.02 3ceh h MET 699 N 0.00 0.69 -0.52 2.33 2.86 0.03 -1.85 114.93 118.46 3ceh h MET 699 Ca -0.00 -0.06 -0.06 0.00 -2.06 0.00 0.00 59.70 57.52 3ceh h MET 699 Cb 0.66 -0.15 -0.02 0.00 0.06 0.00 0.00 31.60 32.15 3ceh h MET 699 CO 0.04 0.49 0.10 0.00 1.06 0.00 0.00 176.91 178.61 3ceh h ALA 700 N 1.15 0.69 0.44 6.32 0.00 -0.56 -1.64 119.26 125.67 3ceh h ALA 700 Ca 0.18 -0.23 -0.01 0.00 0.00 0.00 0.00 54.91 54.85 3ceh h ALA 700 Cb -0.02 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.56 3ceh h ALA 700 CO -0.03 0.41 -0.29 0.93 0.00 0.00 0.00 179.25 180.27 3ceh h GLU 701 N 0.74 -0.67 -0.54 0.00 5.08 -0.98 0.69 114.58 118.89 3ceh h GLU 701 Ca 0.16 0.05 0.11 0.00 -1.00 0.00 0.00 59.36 58.67 3ceh h GLU 701 Cb 0.38 0.15 -0.09 0.00 0.50 0.00 0.00 28.75 29.69 3ceh h GLU 701 CO 0.01 -0.45 0.01 0.93 -1.00 0.00 0.00 179.01 178.50 3ceh h GLU 702 N -0.70 0.12 -0.00 2.33 4.39 -1.24 -2.91 114.58 116.58 3ceh h GLU 702 Ca -0.05 -0.01 0.00 0.00 0.34 0.00 0.00 59.36 59.65 3ceh h GLU 702 Cb 0.58 -0.03 0.00 0.00 -0.10 0.00 0.00 28.75 29.20 3ceh h GLU 702 CO 0.04 0.08 -0.79 0.00 -1.16 0.00 0.00 179.01 177.17 3ceh n ALA 703 N -2.71 4.26 0.00 3.43 0.00 -0.63 -4.85 120.51 120.02 3ceh n ALA 703 Ca 0.07 -0.57 0.00 0.00 0.00 0.00 0.00 53.44 52.94 3ceh n ALA 703 Cb 0.30 -0.71 0.00 0.00 0.00 0.00 0.00 19.45 19.04 3ceh n ALA 703 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3ceh n GLY 704 N 1.43 -1.54 0.36 0.00 0.00 0.24 -4.54 105.19 101.14 3ceh n GLY 704 Ca 0.05 -1.20 0.02 0.00 0.00 0.00 0.00 46.02 44.89 3ceh n GLY 704 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 3ceh h GLU 705 N 0.00 1.04 -1.68 1.61 4.81 -1.83 -1.26 114.58 117.27 3ceh h GLU 705 Ca 0.00 -0.06 0.49 0.00 -0.13 0.00 0.00 59.36 59.66 3ceh h GLU 705 Cb 0.00 -0.23 -0.07 0.00 0.63 0.00 0.00 28.75 29.07 3ceh h GLU 705 CO 0.00 0.69 1.20 1.05 -0.73 0.00 0.00 179.01 181.22 3ceh h GLU 706 N 1.07 0.01 -0.33 1.92 9.09 -1.91 0.13 114.58 124.56 3ceh h GLU 706 Ca 0.34 -0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.75 3ceh h GLU 706 Cb 0.03 -0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.13 3ceh h GLU 706 CO -0.10 0.00 0.00 0.09 0.05 0.00 0.00 179.01 179.05 3ceh n ASN 707 N -4.06 3.34 -4.56 3.06 3.02 -0.48 -4.87 115.26 110.71 3ceh n ASN 707 Ca 0.38 -1.97 -0.24 0.00 -0.03 0.00 0.00 54.58 52.71 3ceh n ASN 707 Cb 1.73 -0.21 -0.09 0.00 -0.61 0.00 0.00 39.78 40.60 3ceh n ASN 707 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 3ceh s LEU 708 N -1.50 2.85 -1.05 3.41 1.02 0.46 -4.81 118.68 119.07 3ceh s LEU 708 Ca 0.36 -0.96 -0.11 0.00 0.02 0.00 0.00 54.13 53.44 3ceh s LEU 708 Cb 0.21 -1.29 0.26 0.00 0.02 0.00 0.00 46.19 45.40 3ceh s LEU 708 CO 0.30 -0.08 1.04 -0.36 0.02 0.00 0.00 176.35 177.28 3ceh s PHE 709 N -2.49 4.09 0.02 0.29 0.40 -0.92 -4.95 117.98 114.42 3ceh s PHE 709 Ca 0.32 -2.47 -0.14 0.00 -0.60 0.00 0.00 56.93 54.04 3ceh s PHE 709 Cb -0.03 -3.87 -0.06 0.00 0.51 0.00 0.00 43.02 39.58 3ceh s PHE 709 CO 0.17 -0.99 0.41 0.42 0.70 0.00 0.00 175.22 175.94 3ceh s ILE 710 N -0.70 5.03 0.26 0.64 -1.09 -1.26 -1.49 121.20 122.58 3ceh s ILE 710 Ca 0.28 0.79 -0.16 0.00 -2.23 0.00 0.00 60.65 59.34 3ceh s ILE 710 Cb -0.10 -3.71 0.00 0.00 -1.58 0.00 0.00 42.46 37.08 3ceh s ILE 710 CO -0.08 0.53 0.56 0.72 -1.23 0.00 0.00 174.94 175.44 3ceh s PHE 711 N -1.14 0.18 0.00 3.97 -0.12 -0.74 -4.96 117.98 115.17 3ceh s PHE 711 Ca 0.26 -0.57 0.00 0.00 -0.05 0.00 0.00 56.93 56.57 3ceh s PHE 711 Cb -0.16 0.36 0.00 0.00 -0.63 0.00 0.00 43.02 42.59 3ceh s PHE 711 CO 0.14 -1.07 0.00 0.41 -0.05 0.00 0.00 175.22 174.65 3ceh n GLY 712 N -0.41 0.35 3.76 1.99 0.00 -1.26 -4.11 105.19 105.51 3ceh n GLY 712 Ca -0.03 -2.09 -0.41 0.00 0.00 0.00 0.00 46.02 43.50 3ceh n GLY 712 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 3ceh s MET 713 N -1.01 4.37 0.76 1.61 -1.94 -1.26 -4.91 119.30 116.92 3ceh s MET 713 Ca 0.00 2.18 -0.03 0.00 -1.71 0.00 0.00 55.69 56.13 3ceh s MET 713 Cb 0.00 -3.10 0.14 0.00 2.01 0.00 0.00 34.83 33.89 3ceh s MET 713 CO 0.00 -0.19 1.05 1.03 -0.01 0.00 0.00 175.02 176.90 3ceh s ARG 714 N -1.44 1.48 0.24 2.03 3.00 -1.26 -4.50 118.95 118.50 3ceh s ARG 714 Ca 0.50 -1.06 -0.05 0.00 0.00 0.00 0.00 55.73 55.12 3ceh s ARG 714 Cb -0.39 -2.26 0.39 0.00 0.00 0.00 0.00 34.95 32.69 3ceh s ARG 714 CO 0.49 -1.63 1.78 0.82 0.00 0.00 0.00 175.30 176.77 3ceh h ILE 715 N -0.71 0.83 -0.12 1.52 2.04 -1.88 -1.50 117.51 117.68 3ceh h ILE 715 Ca -0.37 -0.22 0.02 0.00 1.00 0.00 0.00 64.86 65.30 3ceh h ILE 715 Cb 1.26 0.14 -0.02 0.00 -0.74 0.00 0.00 36.82 37.46 3ceh h ILE 715 CO 0.39 0.12 -0.02 0.44 0.00 0.00 0.00 178.15 179.08 3ceh h ASP 716 N 0.63 -0.08 -0.80 1.72 3.32 -1.98 -0.22 116.42 119.01 3ceh h ASP 716 Ca 0.38 0.03 0.14 0.00 0.02 0.00 0.00 57.03 57.61 3ceh h ASP 716 Cb 0.43 0.06 -0.06 0.00 0.22 0.00 0.00 39.33 39.99 3ceh h ASP 716 CO -0.29 -0.02 0.53 0.44 -1.72 0.00 0.00 179.24 178.17 3ceh h ASP 717 N 0.02 0.50 0.03 6.45 3.32 -1.67 -0.29 116.42 124.78 3ceh h ASP 717 Ca 0.06 0.03 -0.00 0.00 0.02 0.00 0.00 57.03 57.13 3ceh h ASP 717 Cb 0.08 -0.07 0.00 0.00 0.22 0.00 0.00 39.33 39.56 3ceh h ASP 717 CO -0.11 0.26 -0.02 0.58 -1.72 0.00 0.00 179.24 178.23 3ceh h VAL 718 N 0.53 1.24 -0.07 -1.35 2.07 -0.28 -2.81 116.25 115.59 3ceh h VAL 718 Ca 0.39 -0.89 0.04 0.00 0.82 0.00 0.00 66.70 67.06 3ceh h VAL 718 Cb 0.76 1.83 -0.04 0.00 -1.52 0.00 0.00 31.29 32.32 3ceh h VAL 718 CO -0.15 0.23 -0.17 0.00 0.02 0.00 0.00 177.57 177.49 3ceh h ALA 719 N 0.51 -0.16 -0.77 1.67 0.00 -0.63 -1.39 119.26 118.49 3ceh h ALA 719 Ca -0.00 0.03 0.14 0.00 0.00 0.00 0.00 54.91 55.07 3ceh h ALA 719 Cb 0.41 0.33 -0.05 0.00 0.00 0.00 0.00 17.79 18.47 3ceh h ALA 719 CO 0.01 -0.65 0.51 0.00 0.00 0.00 0.00 179.25 179.12 3ceh h ALA 720 N 0.73 2.03 0.00 0.00 0.00 -1.14 0.38 119.26 121.27 3ceh h ALA 720 Ca 0.08 0.00 -0.17 0.00 0.00 0.00 0.00 54.91 54.82 3ceh h ALA 720 Cb 0.36 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.04 3ceh h ALA 720 CO -0.22 -0.24 -0.82 1.25 0.00 0.00 0.00 179.25 179.23 3ceh h LEU 721 N 0.49 0.00 -0.11 0.00 5.85 -1.12 -1.57 115.31 118.85 3ceh h LEU 721 Ca 0.38 0.00 -0.05 0.00 0.84 0.00 0.00 57.88 59.05 3ceh h LEU 721 Cb 0.78 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 41.81 3ceh h LEU 721 CO -0.13 0.82 -0.11 0.44 -0.34 0.00 0.00 178.44 179.11 3ceh h ASP 722 N 0.00 0.28 0.00 1.25 3.32 0.26 0.19 116.42 121.72 3ceh h ASP 722 Ca -0.01 -0.49 0.00 0.00 0.02 0.00 0.00 57.03 56.55 3ceh h ASP 722 Cb 1.49 -0.08 0.00 0.00 0.22 0.00 0.00 39.33 40.96 3ceh h ASP 722 CO 0.11 0.72 0.00 1.17 -1.72 0.00 0.00 179.24 179.51 3ceh n LYS 723 N -4.63 0.00 0.20 3.56 4.81 0.11 -2.33 118.16 119.89 3ceh n LYS 723 Ca -0.07 0.78 0.07 0.00 -0.87 0.00 0.00 58.31 58.22 3ceh n LYS 723 Cb 0.34 -1.45 0.57 0.00 0.02 0.00 0.00 35.03 34.51 3ceh n LYS 723 CO 0.00 0.00 0.00 1.57 1.17 0.00 0.00 177.40 180.14 3ceh h LYS 724 N 0.00 0.10 0.00 1.64 5.09 -1.38 -3.48 116.57 118.54 3ceh h LYS 724 Ca 0.00 -0.01 0.00 0.00 0.09 0.00 0.00 60.65 60.73 3ceh h LYS 724 Cb 0.00 -0.02 0.00 0.00 0.10 0.00 0.00 32.23 32.31 3ceh h LYS 724 CO 0.00 0.11 0.00 0.41 -2.09 0.00 0.00 179.45 177.88 3ceh n GLY 725 N -1.41 1.75 3.62 0.07 0.00 0.63 -5.02 105.19 104.82 3ceh n GLY 725 Ca -0.02 -1.13 -0.43 0.00 0.00 0.00 0.00 46.02 44.45 3ceh n GLY 725 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 3ceh s TYR 726 N 0.00 2.68 -0.45 1.61 5.04 -1.03 -4.92 117.35 120.29 3ceh s TYR 726 Ca 0.00 0.82 -0.08 0.00 -2.44 0.00 0.00 57.07 55.37 3ceh s TYR 726 Cb 0.00 -4.12 0.11 0.00 0.35 0.00 0.00 41.96 38.30 3ceh s TYR 726 CO 0.00 -1.59 0.30 -1.21 -1.34 0.00 0.00 175.55 171.71 3ceh s GLU 727 N 4.40 2.40 0.22 4.97 0.41 -1.26 -4.97 118.70 124.88 3ceh s GLU 727 Ca 0.55 -1.72 -0.10 0.00 -0.41 0.00 0.00 54.97 53.29 3ceh s GLU 727 Cb -0.13 -3.82 0.33 0.00 -1.78 0.00 0.00 34.13 28.73 3ceh s GLU 727 CO 0.27 -1.12 1.66 0.00 -0.49 0.00 0.00 175.26 175.57 3ceh h ALA 728 N 8.36 0.66 -0.98 5.21 0.00 -1.87 -2.45 119.26 128.19 3ceh h ALA 728 Ca -0.20 0.20 0.17 0.00 0.00 0.00 0.00 54.91 55.08 3ceh h ALA 728 Cb 1.07 0.35 -0.17 0.00 0.00 0.00 0.00 17.79 19.04 3ceh h ALA 728 CO 0.81 -0.40 -0.34 -0.22 0.00 0.00 0.00 179.25 179.11 3ceh h LYS 729 N 0.12 -0.00 -0.95 0.00 1.63 -1.90 -2.57 116.57 112.89 3ceh h LYS 729 Ca 0.35 0.00 0.27 0.00 -0.85 0.00 0.00 60.65 60.41 3ceh h LYS 729 Cb 0.58 0.00 -0.14 0.00 -0.60 0.00 0.00 32.23 32.07 3ceh h LYS 729 CO -0.56 -0.00 0.47 0.93 -3.45 0.00 0.00 179.45 176.83 3ceh h GLU 730 N -0.00 0.36 -0.00 1.90 5.08 -1.87 0.14 114.58 120.19 3ceh h GLU 730 Ca 0.39 -0.02 -0.14 0.00 -1.00 0.00 0.00 59.36 58.59 3ceh h GLU 730 Cb 0.64 -0.08 -0.02 0.00 0.50 0.00 0.00 28.75 29.79 3ceh h GLU 730 CO -0.99 0.23 -0.68 1.88 -1.00 0.00 0.00 179.01 178.45 3ceh h TYR 731 N 0.37 0.00 -0.08 4.33 -1.99 -1.63 -2.09 116.97 115.87 3ceh h TYR 731 Ca 0.64 -0.00 -0.13 0.00 2.00 0.00 0.00 58.73 61.24 3ceh h TYR 731 Cb 1.34 -0.00 -0.01 0.00 2.00 0.00 0.00 36.73 40.05 3ceh h TYR 731 CO -0.09 0.68 -0.52 -0.92 -0.00 0.00 0.00 178.16 177.31 3ceh h TYR 732 N 0.00 0.27 0.19 4.88 3.20 -0.78 -2.27 116.97 122.46 3ceh h TYR 732 Ca -0.01 -0.09 -0.31 0.00 3.14 0.00 0.00 58.73 61.46 3ceh h TYR 732 Cb 1.21 -0.05 0.03 0.00 1.54 0.00 0.00 36.73 39.46 3ceh h TYR 732 CO 0.00 0.69 -1.36 0.93 -1.64 0.00 0.00 178.16 176.78 3ceh h GLU 733 N 0.17 0.52 0.00 1.82 4.39 -1.47 -3.37 114.58 116.64 3ceh h GLU 733 Ca 0.00 -0.82 -0.01 0.00 0.34 0.00 0.00 59.36 58.88 3ceh h GLU 733 Cb 0.98 0.29 -0.00 0.00 -0.10 0.00 0.00 28.75 29.92 3ceh h GLU 733 CO 0.08 1.38 -0.03 0.00 -1.16 0.00 0.00 179.01 179.28 3ceh h ALA 734 N 0.28 0.99 -3.60 3.43 0.00 -1.16 -3.43 119.26 115.78 3ceh h ALA 734 Ca -0.21 -0.03 -0.61 0.00 0.00 0.00 0.00 54.91 54.06 3ceh h ALA 734 Cb 2.05 -0.00 -0.38 0.00 0.00 0.00 0.00 17.79 19.46 3ceh h ALA 734 CO 0.25 0.04 -0.79 -0.51 0.00 0.00 0.00 179.25 178.24 3ceh s LEU 735 N -6.24 2.50 0.26 0.00 1.43 -0.87 -5.03 118.68 110.73 3ceh s LEU 735 Ca 0.03 -1.11 0.03 0.00 -1.03 0.00 0.00 54.13 52.05 3ceh s LEU 735 Cb 0.08 -1.19 0.34 0.00 0.03 0.00 0.00 46.19 45.45 3ceh s LEU 735 CO 0.60 -0.22 1.65 -0.65 0.23 0.00 0.00 176.35 177.96 3ceh h PRO 736 N 7.96 0.37 -0.46 1.29 0.11 -1.86 -1.71 132.00 137.71 3ceh h PRO 736 Ca -0.20 -0.19 -0.04 0.00 0.11 0.00 0.00 66.00 65.69 3ceh h PRO 736 Cb 1.08 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.17 3ceh h PRO 736 CO 0.42 0.73 0.15 0.93 -0.21 0.00 0.00 178.00 180.02 3ceh h GLU 737 N 0.31 0.71 -0.92 1.05 5.08 -1.95 -2.23 114.58 116.63 3ceh h GLU 737 Ca 0.03 -0.15 0.08 0.00 -1.00 0.00 0.00 59.36 58.32 3ceh h GLU 737 Cb 0.87 -0.10 -0.06 0.00 0.50 0.00 0.00 28.75 29.95 3ceh h GLU 737 CO 0.07 0.68 0.59 1.25 -1.00 0.00 0.00 179.01 180.60 3ceh h LEU 738 N 0.60 0.88 -0.33 1.33 5.85 -1.82 -2.68 115.31 119.14 3ceh h LEU 738 Ca 0.15 0.02 -0.02 0.00 0.84 0.00 0.00 57.88 58.87 3ceh h LEU 738 Cb 0.26 -0.17 -0.01 0.00 0.37 0.00 0.00 40.66 41.11 3ceh h LEU 738 CO -0.01 0.54 0.14 0.50 -0.34 0.00 0.00 178.44 179.27 3ceh h LYS 739 N 0.99 0.49 -0.20 1.25 3.11 -0.75 -1.57 116.57 119.88 3ceh h LYS 739 Ca 0.41 -0.09 0.01 0.00 -2.81 0.00 0.00 60.65 58.17 3ceh h LYS 739 Cb 0.30 -0.08 -0.01 0.00 -1.00 0.00 0.00 32.23 31.44 3ceh h LYS 739 CO -0.17 0.49 0.11 1.25 -2.81 0.00 0.00 179.45 178.32 3ceh h LEU 740 N 0.39 0.18 -0.17 5.20 5.85 -1.29 -0.66 115.31 124.82 3ceh h LEU 740 Ca 0.11 0.00 0.03 0.00 0.84 0.00 0.00 57.88 58.86 3ceh h LEU 740 Cb 0.17 -0.04 -0.03 0.00 0.37 0.00 0.00 40.66 41.14 3ceh h LEU 740 CO -0.01 0.14 -0.03 0.58 -0.34 0.00 0.00 178.44 178.78 3ceh h VAL 741 N 0.24 0.85 -0.08 1.05 2.07 -1.32 0.52 116.25 119.57 3ceh h VAL 741 Ca 0.08 -0.01 -0.00 0.00 0.82 0.00 0.00 66.70 67.59 3ceh h VAL 741 Cb -0.00 0.83 -0.00 0.00 -1.52 0.00 0.00 31.29 30.59 3ceh h VAL 741 CO -0.04 0.00 0.05 0.40 0.02 0.00 0.00 177.57 178.01 3ceh h ILE 742 N 0.02 1.06 -0.48 4.57 1.08 -1.19 -2.27 117.51 120.30 3ceh h ILE 742 Ca 0.08 -0.16 0.05 0.00 -0.39 0.00 0.00 64.86 64.44 3ceh h ILE 742 Cb 0.12 1.02 -0.05 0.00 -3.07 0.00 0.00 36.82 34.84 3ceh h ILE 742 CO -0.16 0.05 0.21 0.44 -0.69 0.00 0.00 178.15 178.00 3ceh h ASP 743 N 0.07 0.27 -0.97 1.72 3.32 -0.69 -0.68 116.42 119.46 3ceh h ASP 743 Ca 0.03 0.04 0.11 0.00 0.02 0.00 0.00 57.03 57.24 3ceh h ASP 743 Cb 0.04 -0.00 -0.08 0.00 0.22 0.00 0.00 39.33 39.51 3ceh h ASP 743 CO -0.01 0.19 0.62 1.56 -1.72 0.00 0.00 179.24 179.89 3ceh h GLN 744 N 0.42 0.93 0.19 3.56 4.20 0.28 -1.22 115.11 123.47 3ceh h GLN 744 Ca 0.22 -0.06 -0.28 0.00 0.06 0.00 0.00 58.65 58.59 3ceh h GLN 744 Cb 0.18 -0.21 0.03 0.00 0.30 0.00 0.00 27.48 27.78 3ceh h GLN 744 CO -0.19 0.61 -1.22 0.82 -0.67 0.00 0.00 178.83 178.19 3ceh h ILE 745 N 0.96 1.36 0.00 2.54 2.04 -0.71 0.55 117.51 124.25 3ceh h ILE 745 Ca 0.47 -2.59 -0.04 0.00 1.00 0.00 0.00 64.86 63.70 3ceh h ILE 745 Cb 0.48 3.03 -0.01 0.00 -0.74 0.00 0.00 36.82 39.58 3ceh h ILE 745 CO -0.24 0.77 -0.18 -0.78 0.00 0.00 0.00 178.15 177.72 3ceh h ASP 746 N -0.00 0.00 -0.35 1.72 3.58 -1.05 -3.18 116.42 117.15 3ceh h ASP 746 Ca -0.21 0.00 -0.07 0.00 0.42 0.00 0.00 57.03 57.17 3ceh h ASP 746 Cb 1.95 0.00 -0.04 0.00 1.72 0.00 0.00 39.33 42.96 3ceh h ASP 746 CO 0.23 0.18 0.02 0.59 -2.88 0.00 0.00 179.24 177.38 3ceh n ASN 747 N -3.20 3.74 -0.08 2.28 3.02 -0.47 -4.62 115.26 115.93 3ceh n ASN 747 Ca 0.02 -3.21 -0.01 0.00 -0.03 0.00 0.00 54.58 51.35 3ceh n ASN 747 Cb 0.52 -0.59 -0.00 0.00 -0.61 0.00 0.00 39.78 39.09 3ceh n ASN 747 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3ceh n GLY 748 N -0.58 0.38 0.40 7.41 0.00 -0.54 -4.88 105.19 107.38 3ceh n GLY 748 Ca 0.27 -0.07 0.18 0.00 0.00 0.00 0.00 46.02 46.40 3ceh n GLY 748 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 3ceh h PHE 749 N 0.00 0.00 -0.30 1.61 3.57 -1.14 0.41 116.94 121.09 3ceh h PHE 749 Ca -0.02 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.48 3ceh h PHE 749 Cb 0.43 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.17 3ceh h PHE 749 CO 0.26 0.00 0.00 1.19 -2.23 0.00 0.00 178.31 177.53 3ceh n PHE 750 N -3.26 0.49 -2.67 0.41 3.72 -1.25 -4.70 117.46 110.19 3ceh n PHE 750 Ca 0.07 -0.56 -0.05 0.00 -0.05 0.00 0.00 57.45 56.86 3ceh n PHE 750 Cb 0.79 -0.07 0.08 0.00 -0.94 0.00 0.00 39.48 39.34 3ceh n PHE 750 CO 0.00 0.00 0.00 -1.13 -0.05 0.00 0.00 176.76 175.58 3ceh n SER 751 N 0.23 -1.52 0.08 4.37 3.41 0.13 -4.79 113.62 115.53 3ceh n SER 751 Ca 0.12 -2.12 0.20 0.00 -0.26 0.00 0.00 58.87 56.81 3ceh n SER 751 Cb 0.48 0.89 0.67 0.00 -0.26 0.00 0.00 64.21 66.00 3ceh n SER 751 CO 0.00 0.00 0.00 -0.65 -0.16 0.00 0.00 175.04 174.23 3ceh h PRO 752 N 1.49 0.00 0.00 4.33 0.11 -1.55 0.18 132.00 136.56 3ceh h PRO 752 Ca -0.37 0.00 -0.10 0.00 0.11 0.00 0.00 66.00 65.64 3ceh h PRO 752 Cb 1.27 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.36 3ceh h PRO 752 CO -0.12 0.00 -0.80 0.87 -0.21 0.00 0.00 178.00 177.74 3ceh h LYS 753 N 0.00 0.00 -2.96 1.05 1.57 -1.95 -3.35 116.57 110.93 3ceh h LYS 753 Ca 0.21 0.00 -0.61 0.00 -1.87 0.00 0.00 60.65 58.38 3ceh h LYS 753 Cb 1.39 0.00 -0.40 0.00 0.08 0.00 0.00 32.23 33.30 3ceh h LYS 753 CO -0.00 0.34 -0.72 -0.65 -0.57 0.00 0.00 179.45 177.85 3ceh s GLN 754 N -3.01 1.66 0.50 3.15 1.11 0.57 -4.98 119.66 118.65 3ceh s GLN 754 Ca 0.02 -2.50 0.27 0.00 0.01 0.00 0.00 55.36 53.15 3ceh s GLN 754 Cb 0.08 -2.63 1.35 0.00 -1.01 0.00 0.00 33.01 30.80 3ceh s GLN 754 CO 0.76 -1.23 1.88 -1.35 0.01 0.00 0.00 175.29 175.36 3ceh h PRO 755 N 6.11 0.13 -0.39 2.91 0.11 -1.50 -0.88 132.00 138.49 3ceh h PRO 755 Ca 0.08 -0.01 -0.09 0.00 0.11 0.00 0.00 66.00 66.09 3ceh h PRO 755 Cb 0.87 -0.03 -0.05 0.00 0.11 0.00 0.00 31.00 31.90 3ceh h PRO 755 CO 0.56 0.09 0.04 -0.25 -0.21 0.00 0.00 178.00 178.23 3ceh n ASP 756 N -4.36 3.81 -0.33 -2.05 8.00 -1.26 -1.47 116.55 118.89 3ceh n ASP 756 Ca 0.19 -3.23 0.24 0.00 0.71 0.00 0.00 54.79 52.70 3ceh n ASP 756 Cb 0.87 -0.61 0.46 0.00 -0.02 0.00 0.00 41.12 41.81 3ceh n ASP 756 CO 0.00 0.00 0.00 0.25 -0.39 0.00 0.00 177.20 177.06 3ceh h LEU 757 N 1.84 0.04 -3.44 0.64 5.85 -1.48 -2.53 115.31 116.23 3ceh h LEU 757 Ca 0.11 0.26 0.00 0.00 0.84 0.00 0.00 57.88 59.08 3ceh h LEU 757 Cb 1.69 0.34 0.00 0.00 0.37 0.00 0.00 40.66 43.06 3ceh h LEU 757 CO 0.38 -0.37 0.00 0.49 -0.34 0.00 0.00 178.44 178.60 3ceh n PHE 758 N -5.32 1.94 -0.36 1.25 3.72 -1.26 -4.54 117.46 112.89 3ceh n PHE 758 Ca 0.31 -0.69 0.05 0.00 -0.05 0.00 0.00 57.45 57.07 3ceh n PHE 758 Cb 1.05 -0.45 0.22 0.00 -0.94 0.00 0.00 39.48 39.35 3ceh n PHE 758 CO 0.00 0.00 0.00 1.57 -0.05 0.00 0.00 176.76 178.28 3ceh h LYS 759 N 4.02 1.04 -0.50 -1.08 2.10 -1.79 -1.92 116.57 118.43 3ceh h LYS 759 Ca 0.00 -0.06 -0.05 0.00 -2.00 0.00 0.00 60.65 58.54 3ceh h LYS 759 Cb 1.86 -0.23 -0.02 0.00 -0.90 0.00 0.00 32.23 32.93 3ceh h LYS 759 CO 0.43 0.69 0.12 -0.44 -2.00 0.00 0.00 179.45 178.25 3ceh h ASP 760 N 1.07 0.71 -0.73 7.07 3.32 -1.85 -0.31 116.42 125.70 3ceh h ASP 760 Ca 0.46 -0.12 -0.05 0.00 0.02 0.00 0.00 57.03 57.34 3ceh h ASP 760 Cb 0.32 -0.18 -0.03 0.00 0.22 0.00 0.00 39.33 39.66 3ceh h ASP 760 CO -0.21 0.70 0.27 0.40 -1.72 0.00 0.00 179.24 178.68 3ceh h ILE 761 N 0.74 1.25 -0.27 0.35 2.04 -1.72 -2.52 117.51 117.39 3ceh h ILE 761 Ca 0.17 -0.83 -0.02 0.00 1.00 0.00 0.00 64.86 65.17 3ceh h ILE 761 Cb 0.27 0.43 -0.01 0.00 -0.74 0.00 0.00 36.82 36.76 3ceh h ILE 761 CO -0.00 0.33 0.09 0.40 0.00 0.00 0.00 178.15 178.97 3ceh h ILE 762 N 1.06 1.19 0.37 -0.67 1.08 -0.67 0.22 117.51 120.09 3ceh h ILE 762 Ca 0.24 -0.61 -0.02 0.00 -0.39 0.00 0.00 64.86 64.08 3ceh h ILE 762 Cb 0.25 1.09 0.00 0.00 -3.07 0.00 0.00 36.82 35.09 3ceh h ILE 762 CO -0.02 0.20 -0.18 0.78 -0.69 0.00 0.00 178.15 178.25 3ceh h ASN 763 N 0.27 -0.42 -0.49 1.72 2.35 -1.04 -2.05 115.58 115.92 3ceh h ASN 763 Ca 0.09 0.01 0.10 0.00 -0.55 0.00 0.00 56.30 55.94 3ceh h ASN 763 Cb 0.23 0.11 -0.09 0.00 0.05 0.00 0.00 38.32 38.62 3ceh h ASN 763 CO -0.00 -0.29 -0.08 -0.03 -1.65 0.00 0.00 177.43 175.37 3ceh h MET 764 N -0.51 0.03 -0.82 0.81 4.05 -1.42 0.43 114.93 117.50 3ceh h MET 764 Ca -0.05 -0.00 0.13 0.00 -0.28 0.00 0.00 59.70 59.50 3ceh h MET 764 Cb 0.39 -0.01 -0.06 0.00 -0.80 0.00 0.00 31.60 31.13 3ceh h MET 764 CO 0.08 0.02 0.53 -0.07 0.23 0.00 0.00 176.91 177.71 3ceh h LEU 765 N 0.03 0.57 0.00 3.39 3.38 -0.58 0.32 115.31 122.42 3ceh h LEU 765 Ca 0.24 0.03 -0.32 0.00 0.09 0.00 0.00 57.88 57.91 3ceh h LEU 765 Cb 0.37 -0.09 -0.06 0.00 0.09 0.00 0.00 40.66 40.97 3ceh h LEU 765 CO -0.47 0.30 -2.07 0.49 0.09 0.00 0.00 178.44 176.78 3ceh n PHE 766 N -4.52 0.44 0.00 1.13 3.01 -0.44 -4.54 117.46 112.55 3ceh n PHE 766 Ca 0.15 0.16 0.00 0.00 1.01 0.00 0.00 57.45 58.77 3ceh n PHE 766 Cb 0.45 -1.07 0.00 0.00 -0.01 0.00 0.00 39.48 38.85 3ceh n PHE 766 CO 0.00 0.00 0.00 0.66 1.01 0.00 0.00 176.76 178.43 3ceh n TYR 767 N -2.86 0.00 -2.11 1.38 4.02 0.14 -4.31 117.16 113.41 3ceh n TYR 767 Ca -0.25 0.00 0.05 0.00 -0.01 0.00 0.00 57.90 57.68 3ceh n TYR 767 Cb 1.09 0.00 0.08 0.00 -0.02 0.00 0.00 39.34 40.50 3ceh n TYR 767 CO 0.00 0.00 0.00 0.72 -1.01 0.00 0.00 176.86 176.57 3ceh n HIS 768 N -1.20 0.00 -2.85 -0.72 8.25 -0.52 -5.00 115.22 113.17 3ceh n HIS 768 Ca 0.00 -0.79 -0.43 0.00 -0.26 0.00 0.00 57.72 56.24 3ceh n HIS 768 Cb 0.17 -0.17 -0.03 0.00 1.12 0.00 0.00 29.99 31.08 3ceh n HIS 768 CO 0.00 0.00 0.00 0.34 0.64 0.00 0.00 176.34 177.32 3ceh s ASP 769 N -2.33 6.38 0.63 0.41 2.15 0.10 -4.85 116.67 119.15 3ceh s ASP 769 Ca 0.32 -1.43 0.42 0.00 0.43 0.00 0.00 52.55 52.28 3ceh s ASP 769 Cb 0.34 -2.43 2.20 0.00 -0.30 0.00 0.00 42.92 42.74 3ceh s ASP 769 CO -0.11 -1.31 2.27 0.03 -0.17 0.00 0.00 175.17 175.88 3ceh h ARG 770 N 9.31 0.00 -0.24 4.34 3.08 -1.95 -3.09 114.38 125.82 3ceh h ARG 770 Ca -0.07 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.98 3ceh h ARG 770 Cb 1.05 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.10 3ceh h ARG 770 CO 1.18 0.00 0.00 1.19 -1.07 0.00 0.00 179.97 181.27 3ceh n PHE 771 N -3.02 0.31 -3.42 3.04 3.72 -1.26 -5.00 117.46 111.84 3ceh n PHE 771 Ca -0.02 -0.24 -0.21 0.00 -0.05 0.00 0.00 57.45 56.93 3ceh n PHE 771 Cb 0.10 -0.01 0.06 0.00 -0.94 0.00 0.00 39.48 38.69 3ceh n PHE 771 CO 0.00 0.00 0.00 1.63 -0.05 0.00 0.00 176.76 178.34 3ceh n LYS 772 N 0.91 -1.83 0.00 -1.08 5.02 -1.17 -4.69 118.16 115.32 3ceh n LYS 772 Ca 0.13 0.71 -0.12 0.00 -2.02 0.00 0.00 58.31 57.01 3ceh n LYS 772 Cb 0.44 -5.16 -0.07 0.00 -0.02 0.00 0.00 35.03 30.23 3ceh n LYS 772 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 3ceh h VAL 773 N -1.38 1.16 -0.22 -0.18 2.07 -1.91 -3.17 116.25 112.62 3ceh h VAL 773 Ca -0.63 -0.48 -0.06 0.00 0.82 0.00 0.00 66.70 66.36 3ceh h VAL 773 Cb 1.33 1.39 -0.01 0.00 -1.52 0.00 0.00 31.29 32.47 3ceh h VAL 773 CO 0.45 0.13 -0.11 -0.26 0.02 0.00 0.00 177.57 177.81 3ceh h PHE 774 N -0.11 0.37 0.00 1.57 0.05 -1.91 -2.96 116.94 113.95 3ceh h PHE 774 Ca 0.02 -0.04 -0.01 0.00 3.82 0.00 0.00 57.97 61.75 3ceh h PHE 774 Cb 0.20 -0.10 -0.00 0.00 2.00 0.00 0.00 35.95 38.04 3ceh h PHE 774 CO -0.01 0.46 -0.06 0.00 -0.18 0.00 0.00 178.31 178.52 3ceh h ALA 775 N 1.56 1.54 0.00 2.45 0.00 -1.93 -2.75 119.26 120.13 3ceh h ALA 775 Ca 0.07 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.93 3ceh h ALA 775 Cb 0.40 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.18 3ceh h ALA 775 CO 0.02 0.07 -1.08 -0.25 0.00 0.00 0.00 179.25 178.01 3ceh n ASP 776 N -3.94 0.82 -0.03 0.00 8.00 -1.13 -4.76 116.55 115.52 3ceh n ASP 776 Ca -0.03 -0.75 -0.04 0.00 0.71 0.00 0.00 54.79 54.68 3ceh n ASP 776 Cb 0.15 1.18 -0.03 0.00 -0.02 0.00 0.00 41.12 42.39 3ceh n ASP 776 CO 0.00 0.00 0.00 0.22 -0.39 0.00 0.00 177.20 177.03 3ceh h TYR 777 N 0.00 -0.48 -0.26 1.24 3.20 -1.34 -0.52 116.97 118.82 3ceh h TYR 777 Ca 0.00 0.02 0.05 0.00 3.14 0.00 0.00 58.73 61.94 3ceh h TYR 777 Cb 0.53 0.22 -0.08 0.00 1.54 0.00 0.00 36.73 38.94 3ceh h TYR 777 CO 0.00 -0.14 -0.44 1.49 -1.64 0.00 0.00 178.16 177.42 3ceh h GLU 778 N -0.13 -0.41 -0.71 1.82 4.81 -1.86 0.25 114.58 118.36 3ceh h GLU 778 Ca 0.02 0.03 0.15 0.00 -0.13 0.00 0.00 59.36 59.43 3ceh h GLU 778 Cb 0.18 0.09 -0.11 0.00 0.63 0.00 0.00 28.75 29.54 3ceh h GLU 778 CO -0.16 -0.28 0.14 0.00 -0.73 0.00 0.00 179.01 177.99 3ceh h ALA 779 N 0.19 0.87 0.46 2.92 0.00 -1.85 0.92 119.26 122.78 3ceh h ALA 779 Ca 0.10 0.17 -0.02 0.00 0.00 0.00 0.00 54.91 55.16 3ceh h ALA 779 Cb 0.61 0.25 -0.01 0.00 0.00 0.00 0.00 17.79 18.64 3ceh h ALA 779 CO -0.48 -0.35 -0.32 -0.92 0.00 0.00 0.00 179.25 177.18 3ceh h TYR 780 N 0.24 -0.86 -1.00 0.00 3.20 -0.26 -0.42 116.97 117.87 3ceh h TYR 780 Ca 0.39 -0.00 0.17 0.00 3.14 0.00 0.00 58.73 62.43 3ceh h TYR 780 Cb 0.66 0.31 -0.10 0.00 1.54 0.00 0.00 36.73 39.14 3ceh h TYR 780 CO -0.28 -0.46 0.62 0.28 -1.64 0.00 0.00 178.16 176.68 3ceh h VAL 781 N -0.74 0.77 -0.66 1.81 2.07 0.24 0.49 116.25 120.23 3ceh h VAL 781 Ca -0.06 -0.28 -0.06 0.00 0.82 0.00 0.00 66.70 67.11 3ceh h VAL 781 Cb 0.60 -0.13 -0.03 0.00 -1.52 0.00 0.00 31.29 30.22 3ceh h VAL 781 CO 0.04 0.15 0.16 0.11 0.02 0.00 0.00 177.57 178.06 3ceh h LYS 782 N 0.83 1.05 -0.39 1.57 1.57 -0.71 -1.76 116.57 118.72 3ceh h LYS 782 Ca 0.55 -0.25 -0.10 0.00 -1.87 0.00 0.00 60.65 58.98 3ceh h LYS 782 Cb 0.78 -0.14 -0.01 0.00 0.08 0.00 0.00 32.23 32.94 3ceh h LYS 782 CO -0.34 0.94 -0.14 0.00 -0.57 0.00 0.00 179.45 179.34 3ceh h GLN 784 N 0.59 0.54 -0.01 0.00 1.08 0.32 -2.21 115.11 115.42 3ceh h GLN 784 Ca 0.09 -0.03 -0.15 0.00 -1.45 0.00 0.00 58.65 57.11 3ceh h GLN 784 Cb 0.67 -0.12 -0.02 0.00 -0.05 0.00 0.00 27.48 27.96 3ceh h GLN 784 CO 0.05 0.36 -0.70 -0.44 -0.95 0.00 0.00 178.83 177.14 3ceh h ASP 785 N 0.56 0.05 -0.37 1.46 3.32 -0.99 -1.96 116.42 118.49 3ceh h ASP 785 Ca 0.47 -0.04 -0.03 0.00 0.02 0.00 0.00 57.03 57.45 3ceh h ASP 785 Cb 0.95 -0.02 -0.02 0.00 0.22 0.00 0.00 39.33 40.47 3ceh h ASP 785 CO -0.21 0.73 0.10 0.11 -1.72 0.00 0.00 179.24 178.26 3ceh h LYS 786 N 0.03 0.58 -0.05 3.56 1.57 -1.17 -1.91 116.57 119.17 3ceh h LYS 786 Ca -0.01 -0.13 0.03 0.00 -1.87 0.00 0.00 60.65 58.67 3ceh h LYS 786 Cb 1.24 -0.08 -0.04 0.00 0.08 0.00 0.00 32.23 33.44 3ceh h LYS 786 CO 0.09 0.61 -0.15 0.28 -0.57 0.00 0.00 179.45 179.72 3ceh h VAL 787 N 0.44 0.63 -0.49 0.50 2.07 -1.41 -0.17 116.25 117.81 3ceh h VAL 787 Ca 0.12 0.00 0.10 0.00 0.82 0.00 0.00 66.70 67.74 3ceh h VAL 787 Cb 0.28 0.63 -0.10 0.00 -1.52 0.00 0.00 31.29 30.58 3ceh h VAL 787 CO -0.00 0.00 -0.18 0.28 0.02 0.00 0.00 177.57 177.69 3ceh h SER 788 N -0.22 -0.63 -0.41 0.57 0.02 -1.26 -1.09 113.55 110.52 3ceh h SER 788 Ca 0.06 0.17 -0.06 0.00 -0.84 0.00 0.00 61.79 61.12 3ceh h SER 788 Cb 0.31 0.37 -0.02 0.00 0.14 0.00 0.00 62.40 63.21 3ceh h SER 788 CO -0.18 -0.21 0.01 0.06 -1.14 0.00 0.00 176.83 175.37 3ceh h GLN 789 N -0.07 0.72 -0.63 3.45 3.07 -0.92 -2.36 115.11 118.38 3ceh h GLN 789 Ca 0.24 -0.22 0.11 0.00 0.09 0.00 0.00 58.65 58.86 3ceh h GLN 789 Cb 0.43 -0.07 -0.04 0.00 0.08 0.00 0.00 27.48 27.88 3ceh h GLN 789 CO -0.54 0.80 0.42 1.25 0.09 0.00 0.00 178.83 180.85 3ceh h LEU 790 N 0.56 0.36 -1.87 0.06 5.85 -0.65 -2.07 115.31 117.56 3ceh h LEU 790 Ca 0.12 0.01 -0.03 0.00 0.84 0.00 0.00 57.88 58.82 3ceh h LEU 790 Cb 0.46 -0.06 -0.00 0.00 0.37 0.00 0.00 40.66 41.42 3ceh h LEU 790 CO 0.02 0.21 -0.13 0.22 -0.34 0.00 0.00 178.44 178.43 3ceh h TYR 791 N 0.40 0.00 -0.10 1.25 3.20 -0.65 -1.23 116.97 119.84 3ceh h TYR 791 Ca 0.29 0.00 0.00 0.00 3.14 0.00 0.00 58.73 62.16 3ceh h TYR 791 Cb 0.61 0.00 0.00 0.00 1.54 0.00 0.00 36.73 38.88 3ceh h TYR 791 CO -0.00 0.13 0.00 -1.33 -1.64 0.00 0.00 178.16 175.31 3ceh n MET 792 N -3.65 1.25 -3.58 1.82 2.81 -0.78 -4.37 117.12 110.62 3ceh n MET 792 Ca -0.02 -0.36 -0.28 0.00 -1.81 0.00 0.00 57.70 55.23 3ceh n MET 792 Cb 0.25 -1.11 -0.11 0.00 -0.71 0.00 0.00 33.22 31.53 3ceh n MET 792 CO 0.00 0.00 0.00 1.21 1.51 0.00 0.00 175.97 178.69 3ceh s ASN 793 N -0.94 2.81 0.26 7.83 3.84 -0.46 -5.01 114.94 123.27 3ceh s ASN 793 Ca 0.07 -3.06 -0.06 0.00 0.21 0.00 0.00 52.86 50.02 3ceh s ASN 793 Cb 0.04 -0.82 0.46 0.00 -0.55 0.00 0.00 41.25 40.38 3ceh s ASN 793 CO 0.04 -0.18 1.41 -2.65 -2.79 0.00 0.00 177.10 172.93 3ceh n PRO 794 N 2.91 -0.08 -0.03 0.43 -0.02 -1.26 -0.67 135.00 136.28 3ceh n PRO 794 Ca 0.21 1.40 -0.12 0.00 -2.02 0.00 0.00 63.50 62.97 3ceh n PRO 794 Cb 0.41 -2.11 -0.06 0.00 -0.02 0.00 0.00 33.50 31.72 3ceh n PRO 794 CO 0.00 0.00 0.00 -0.22 1.98 0.00 0.00 175.50 177.26 3ceh h LYS 795 N 0.00 0.19 0.10 -0.52 3.64 -1.95 -0.53 116.57 117.50 3ceh h LYS 795 Ca 0.45 -0.05 -0.00 0.00 -1.27 0.00 0.00 60.65 59.78 3ceh h LYS 795 Cb 0.74 -0.02 0.00 0.00 -0.41 0.00 0.00 32.23 32.54 3ceh h LYS 795 CO -0.91 0.37 -0.05 0.00 -2.27 0.00 0.00 179.45 176.59 3ceh h ALA 796 N 0.81 -0.13 -0.31 5.00 0.00 -1.47 -1.67 119.26 121.49 3ceh h ALA 796 Ca 0.04 -0.13 0.07 0.00 0.00 0.00 0.00 54.91 54.88 3ceh h ALA 796 Cb 0.26 0.05 -0.07 0.00 0.00 0.00 0.00 17.79 18.03 3ceh h ALA 796 CO 0.00 -0.45 -0.16 2.35 0.00 0.00 0.00 179.25 180.99 3ceh h TRP 797 N -0.37 -0.39 0.00 0.00 2.91 -0.88 -1.50 115.95 115.72 3ceh h TRP 797 Ca -0.01 0.04 -0.02 0.00 1.13 0.00 0.00 58.89 60.02 3ceh h TRP 797 Cb 0.31 0.22 -0.00 0.00 -0.51 0.00 0.00 29.16 29.18 3ceh h TRP 797 CO 0.01 -0.23 -0.09 -0.91 -1.03 0.00 0.00 178.44 176.18 3ceh h ASN 798 N -0.12 0.00 -0.08 2.65 2.35 -1.06 -0.39 115.58 118.93 3ceh h ASN 798 Ca 0.16 0.00 -0.17 0.00 -0.55 0.00 0.00 56.30 55.74 3ceh h ASN 798 Cb 0.36 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 38.73 3ceh h ASN 798 CO -0.38 0.09 -0.56 0.74 -1.65 0.00 0.00 177.43 175.68 3ceh h THR 799 N 0.00 1.30 -0.28 2.81 2.02 -0.71 -0.20 112.91 117.86 3ceh h THR 799 Ca -0.00 -1.78 -0.12 0.00 0.77 0.00 0.00 66.41 65.27 3ceh h THR 799 Cb 0.71 1.73 -0.00 0.00 -1.74 0.00 0.00 68.15 68.85 3ceh h THR 799 CO 0.01 0.56 -0.31 -0.03 0.37 0.00 0.00 175.52 176.12 3ceh h MET 800 N 0.51 0.71 -0.18 6.66 1.85 -0.83 -2.07 114.93 121.58 3ceh h MET 800 Ca 0.01 -0.39 0.05 0.00 -0.61 0.00 0.00 59.70 58.76 3ceh h MET 800 Cb 1.12 0.02 -0.07 0.00 0.43 0.00 0.00 31.60 33.10 3ceh h MET 800 CO 0.11 1.00 -0.37 0.28 -0.40 0.00 0.00 176.91 177.53 3ceh h VAL 801 N 0.45 0.20 -0.10 -5.77 2.07 -0.92 -0.39 116.25 111.79 3ceh h VAL 801 Ca 0.04 0.00 -0.03 0.00 0.82 0.00 0.00 66.70 67.53 3ceh h VAL 801 Cb 0.89 0.20 -0.01 0.00 -1.52 0.00 0.00 31.29 30.85 3ceh h VAL 801 CO 0.08 0.00 -0.07 0.25 0.02 0.00 0.00 177.57 177.85 3ceh h LEU 802 N -0.42 0.13 -0.94 2.57 5.85 -0.97 0.09 115.31 121.62 3ceh h LEU 802 Ca 0.10 -0.02 -0.10 0.00 0.84 0.00 0.00 57.88 58.70 3ceh h LEU 802 Cb 0.59 -0.03 -0.01 0.00 0.37 0.00 0.00 40.66 41.57 3ceh h LEU 802 CO -0.41 0.22 -0.49 0.11 -0.34 0.00 0.00 178.44 177.52 3ceh h LYS 803 N 0.14 0.00 0.30 1.25 1.57 -0.75 -1.04 116.57 118.04 3ceh h LYS 803 Ca 0.03 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.80 3ceh h LYS 803 Cb 0.21 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.53 3ceh h LYS 803 CO 0.01 0.49 -0.14 -0.91 -0.57 0.00 0.00 179.45 178.33 3ceh h ASN 804 N 0.00 -0.34 -0.88 0.86 -0.26 0.64 -3.22 115.58 112.38 3ceh h ASN 804 Ca -0.00 0.01 0.22 0.00 -0.56 0.00 0.00 56.30 55.96 3ceh h ASN 804 Cb 0.94 0.09 -0.13 0.00 -1.06 0.00 0.00 38.32 38.16 3ceh h ASN 804 CO 0.06 -0.07 0.35 0.40 -1.06 0.00 0.00 177.43 177.11 3ceh h ILE 805 N -0.74 0.46 0.00 2.81 2.04 -1.12 0.79 117.51 121.74 3ceh h ILE 805 Ca -0.04 -0.12 0.00 0.00 1.00 0.00 0.00 64.86 65.70 3ceh h ILE 805 Cb 0.31 0.07 0.00 0.00 -0.74 0.00 0.00 36.82 36.45 3ceh h ILE 805 CO 0.07 0.07 0.00 0.00 0.00 0.00 0.00 178.15 178.28 3ceh n ALA 806 N -2.54 1.49 0.07 1.87 0.00 -0.39 -1.58 120.51 119.43 3ceh n ALA 806 Ca 0.21 0.12 0.02 0.00 0.00 0.00 0.00 53.44 53.79 3ceh n ALA 806 Cb 0.64 -1.37 0.03 0.00 0.00 0.00 0.00 19.45 18.75 3ceh n ALA 806 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3ceh n ALA 807 N -1.78 2.32 1.17 0.00 0.00 0.19 -2.82 120.51 119.59 3ceh n ALA 807 Ca 0.01 -0.73 0.12 0.00 0.00 0.00 0.00 53.44 52.84 3ceh n ALA 807 Cb 0.18 -0.14 0.62 0.00 0.00 0.00 0.00 19.45 20.11 3ceh n ALA 807 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 3ceh n SER 808 N 0.07 0.00 -0.12 0.00 3.41 -0.62 -4.21 113.62 112.16 3ceh n SER 808 Ca 0.03 -0.09 0.09 0.00 -0.26 0.00 0.00 58.87 58.65 3ceh n SER 808 Cb 0.18 -0.28 0.44 0.00 -0.26 0.00 0.00 64.21 64.29 3ceh n SER 808 CO 0.00 0.00 0.00 1.23 -0.16 0.00 0.00 175.04 176.11 3ceh h GLY 809 N 4.04 0.73 -0.13 5.00 0.00 -1.78 -0.96 103.07 109.98 3ceh h GLY 809 Ca 0.00 -0.22 0.23 0.00 0.00 0.00 0.00 47.33 47.34 3ceh h GLY 809 CO 0.00 0.15 0.52 1.70 0.00 0.00 0.00 176.54 178.91 3ceh h LYS 810 N 0.55 0.51 0.00 4.80 3.64 -1.86 -2.41 116.57 121.81 3ceh h LYS 810 Ca 0.28 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.63 3ceh h LYS 810 Cb 0.40 -0.12 0.00 0.00 -0.41 0.00 0.00 32.23 32.10 3ceh h LYS 810 CO -0.09 0.34 0.00 1.19 -2.27 0.00 0.00 179.45 178.62 3ceh n PHE 811 N -4.94 0.00 -2.23 1.91 3.72 -0.36 -4.71 117.46 110.86 3ceh n PHE 811 Ca 0.25 0.00 -0.41 0.00 -0.05 0.00 0.00 57.45 57.23 3ceh n PHE 811 Cb 0.69 0.00 -0.03 0.00 -0.94 0.00 0.00 39.48 39.20 3ceh n PHE 811 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 176.76 177.16 3ceh s SER 812 N -1.53 6.90 0.06 4.37 0.15 -0.91 -0.40 113.70 122.34 3ceh s SER 812 Ca 0.16 2.39 0.14 0.00 0.70 0.00 0.00 55.95 59.34 3ceh s SER 812 Cb 0.07 -2.61 0.61 0.00 -1.71 0.00 0.00 66.02 62.39 3ceh s SER 812 CO 0.12 -0.52 1.44 -1.54 1.20 0.00 0.00 173.24 173.95 3ceh n SER 813 N 2.66 0.14 -0.26 5.45 3.41 -0.21 -1.57 113.62 123.25 3ceh n SER 813 Ca 0.06 0.54 -0.07 0.00 -0.26 0.00 0.00 58.87 59.14 3ceh n SER 813 Cb 0.43 -0.57 0.05 0.00 -0.26 0.00 0.00 64.21 63.86 3ceh n SER 813 CO 0.00 0.00 0.00 0.44 -0.16 0.00 0.00 175.04 175.32 3ceh h ASP 814 N 0.00 1.02 -0.20 4.04 3.45 -1.89 -1.83 116.42 121.01 3ceh h ASP 814 Ca 0.00 -0.20 -0.03 0.00 0.43 0.00 0.00 57.03 57.23 3ceh h ASP 814 Cb 0.22 -0.27 -0.01 0.00 -0.56 0.00 0.00 39.33 38.72 3ceh h ASP 814 CO 0.00 0.94 -0.01 -0.09 -1.57 0.00 0.00 179.24 178.52 3ceh h ARG 815 N 1.04 0.36 -0.54 3.56 1.12 -1.57 -2.33 114.38 116.02 3ceh h ARG 815 Ca 0.23 -0.12 0.08 0.00 -1.11 0.00 0.00 59.98 59.06 3ceh h ARG 815 Cb 0.27 -0.03 -0.06 0.00 -0.01 0.00 0.00 29.97 30.14 3ceh h ARG 815 CO -0.01 0.57 0.18 1.15 -3.11 0.00 0.00 179.97 178.75 3ceh h THR 816 N 0.11 0.79 -0.53 0.20 2.02 -1.48 -1.77 112.91 112.25 3ceh h THR 816 Ca 0.06 -0.12 -0.11 0.00 0.77 0.00 0.00 66.41 67.00 3ceh h THR 816 Cb 0.41 0.40 -0.02 0.00 -1.74 0.00 0.00 68.15 67.20 3ceh h THR 816 CO 0.01 0.07 -0.11 0.40 0.37 0.00 0.00 175.52 176.26 3ceh h ILE 817 N 0.36 1.27 -0.23 3.11 1.08 -1.32 -1.07 117.51 120.69 3ceh h ILE 817 Ca 0.27 -1.26 0.06 0.00 -0.39 0.00 0.00 64.86 63.54 3ceh h ILE 817 Cb 0.31 0.97 -0.07 0.00 -3.07 0.00 0.00 36.82 34.97 3ceh h ILE 817 CO -0.28 0.44 -0.21 0.11 -0.69 0.00 0.00 178.15 177.52 3ceh h LYS 818 N 0.89 -0.21 -0.89 2.37 1.57 -0.83 0.26 116.57 119.74 3ceh h LYS 818 Ca 0.14 0.01 0.07 0.00 -1.87 0.00 0.00 60.65 59.00 3ceh h LYS 818 Cb 0.67 0.05 -0.06 0.00 0.08 0.00 0.00 32.23 32.97 3ceh h LYS 818 CO 0.05 -0.14 0.58 0.93 -0.57 0.00 0.00 179.45 180.29 3ceh h GLU 819 N -0.22 0.95 -0.28 3.15 5.08 -0.80 0.12 114.58 122.57 3ceh h GLU 819 Ca 0.13 -0.06 -0.17 0.00 -1.00 0.00 0.00 59.36 58.26 3ceh h GLU 819 Cb 0.42 -0.21 -0.00 0.00 0.50 0.00 0.00 28.75 29.46 3ceh h GLU 819 CO -0.36 0.63 -0.51 1.88 -1.00 0.00 0.00 179.01 179.64 3ceh h TYR 820 N 0.98 1.01 -0.52 4.33 0.05 -0.43 -2.39 116.97 120.00 3ceh h TYR 820 Ca 0.39 -0.35 -0.07 0.00 0.05 0.00 0.00 58.73 58.75 3ceh h TYR 820 Cb 0.24 -0.19 -0.02 0.00 1.01 0.00 0.00 36.73 37.77 3ceh h TYR 820 CO -0.00 1.15 0.04 0.00 -1.05 0.00 0.00 178.16 178.30 3ceh h ALA 821 N 0.78 1.10 0.13 3.88 0.00 0.11 0.40 119.26 125.66 3ceh h ALA 821 Ca 0.02 -0.25 -0.35 0.00 0.00 0.00 0.00 54.91 54.33 3ceh h ALA 821 Cb 1.10 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.67 3ceh h ALA 821 CO 0.11 0.58 -1.86 0.37 0.00 0.00 0.00 179.25 178.46 3ceh h GLN 822 N 0.80 0.27 -0.21 0.00 4.15 -0.80 0.21 115.11 119.53 3ceh h GLN 822 Ca 0.16 -0.46 0.00 0.00 0.77 0.00 0.00 58.65 59.12 3ceh h GLN 822 Cb 0.42 0.17 0.00 0.00 0.21 0.00 0.00 27.48 28.28 3ceh h GLN 822 CO 0.01 1.15 0.00 0.09 -1.93 0.00 0.00 178.83 178.16 3ceh n ASN 823 N -3.46 2.48 0.00 -0.69 3.02 -0.90 -4.49 115.26 111.22 3ceh n ASN 823 Ca -0.27 -1.81 0.00 0.00 -0.03 0.00 0.00 54.58 52.47 3ceh n ASN 823 Cb 1.06 -0.14 0.00 0.00 -0.61 0.00 0.00 39.78 40.09 3ceh n ASN 823 CO 0.00 0.00 0.00 -0.38 -2.62 0.00 0.00 177.26 174.26 3ceh n ILE 824 N 0.42 0.00 0.26 2.41 5.41 -0.73 -4.89 119.36 122.24 3ceh n ILE 824 Ca 0.09 0.00 0.13 0.00 1.00 0.00 0.00 62.75 63.96 3ceh n ILE 824 Cb 0.35 -0.27 0.69 0.00 -0.71 0.00 0.00 39.64 39.71 3ceh n ILE 824 CO 0.00 0.00 0.00 -0.50 0.00 0.00 0.00 176.55 176.05 3ceh h TRP 825 N 0.00 0.00 -6.50 1.39 6.55 -1.08 -3.47 115.95 112.83 3ceh h TRP 825 Ca 0.00 0.00 -0.50 0.00 0.95 0.00 0.00 58.89 59.34 3ceh h TRP 825 Cb 0.00 0.00 0.02 0.00 -0.86 0.00 0.00 29.16 28.32 3ceh h TRP 825 CO 0.00 0.13 -0.95 -1.71 -1.05 0.00 0.00 178.44 174.86 3ceh n ASN 826 N -3.52 -3.73 -4.36 -3.49 4.05 0.65 -4.94 115.26 99.92 3ceh n ASN 826 Ca -0.01 -1.10 -0.24 0.00 0.45 0.00 0.00 54.58 53.67 3ceh n ASN 826 Cb 0.27 -2.79 -0.12 0.00 1.23 0.00 0.00 39.78 38.38 3ceh n ASN 826 CO 0.00 0.00 0.00 0.68 -3.05 0.00 0.00 177.26 174.89 3ceh s VAL 827 N -3.62 2.02 -0.01 3.44 -7.23 -0.67 -5.01 120.40 109.31 3ceh s VAL 827 Ca 0.37 -1.90 -0.02 0.00 -1.81 0.00 0.00 61.98 58.62 3ceh s VAL 827 Cb -0.16 -1.91 -0.04 0.00 0.56 0.00 0.00 36.38 34.83 3ceh s VAL 827 CO 0.90 -0.18 0.14 -0.70 -0.31 0.00 0.00 175.10 174.95 3ceh s GLU 828 N -2.58 3.29 0.80 4.82 2.12 -1.26 -4.37 118.70 121.52 3ceh s GLU 828 Ca 0.16 -0.37 -0.15 0.00 0.36 0.00 0.00 54.97 54.97 3ceh s GLU 828 Cb -0.07 -3.01 0.01 0.00 0.26 0.00 0.00 34.13 31.32 3ceh s GLU 828 CO 0.07 0.67 0.70 -2.30 -0.54 0.00 0.00 175.26 173.86 3ceh n PRO 829 N 1.09 0.15 0.00 4.30 -0.02 -1.26 -4.78 135.00 134.48 3ceh n PRO 829 Ca -0.12 0.11 0.00 0.00 -2.02 0.00 0.00 63.50 61.46 3ceh n PRO 829 Cb 0.53 -2.01 0.00 0.00 -0.02 0.00 0.00 33.50 31.99 3ceh n PRO 829 CO 0.00 0.00 0.00 0.43 1.98 0.00 0.00 175.50 177.91 3ceh n SER 830 N -1.36 0.00 0.00 2.55 7.64 -1.18 -5.02 113.62 116.26 3ceh n SER 830 Ca 0.10 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.98 3ceh n SER 830 Cb 0.51 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.71 3ceh n SER 830 CO 0.00 0.00 0.00 -0.90 -3.01 0.00 0.00 175.04 171.13