#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1jcq s VAL 56 N 0.00 2.07 0.80 -4.37 0.11 -1.26 -5.12 120.40 112.64 1jcq s VAL 56 Ca 0.00 -1.18 -0.13 0.00 -2.93 0.00 0.00 61.98 57.74 1jcq s VAL 56 Cb 0.00 -1.99 0.08 0.00 -1.53 0.00 0.00 36.38 32.94 1jcq s VAL 56 CO 0.00 0.32 1.18 -0.55 -3.33 0.00 0.00 175.10 172.71 1jcq s SER 57 N 1.23 3.75 0.59 3.54 0.15 -1.26 -4.92 113.70 116.78 1jcq s SER 57 Ca -0.00 2.25 0.34 0.00 0.70 0.00 0.00 55.95 59.24 1jcq s SER 57 Cb -0.16 -2.58 1.85 0.00 -1.71 0.00 0.00 66.02 63.42 1jcq s SER 57 CO -0.10 -2.55 2.20 0.25 1.20 0.00 0.00 173.24 174.24 1jcq h LEU 58 N -0.95 0.00 -1.88 3.45 5.85 -1.98 -2.04 115.31 117.76 1jcq h LEU 58 Ca -0.46 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.26 1jcq h LEU 58 Cb 1.28 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.31 1jcq h LEU 58 CO 0.47 0.04 0.00 0.47 -0.34 0.00 0.00 178.44 179.08 1jcq n ASP 59 N -3.44 2.28 -4.76 1.25 10.43 -1.26 -4.94 116.55 116.11 1jcq n ASP 59 Ca -0.02 -1.64 -0.38 0.00 2.57 0.00 0.00 54.79 55.31 1jcq n ASP 59 Cb 0.16 -0.07 0.02 0.00 1.84 0.00 0.00 41.12 43.07 1jcq n ASP 59 CO 0.00 0.00 0.00 -0.44 -1.07 0.00 0.00 177.20 175.69 1jcq s SER 60 N -0.99 5.63 0.42 -2.24 0.01 -0.77 -4.91 113.70 110.85 1jcq s SER 60 Ca 0.17 2.67 0.08 0.00 1.31 0.00 0.00 55.95 60.18 1jcq s SER 60 Cb 0.11 -2.63 0.89 0.00 0.21 0.00 0.00 66.02 64.60 1jcq s SER 60 CO 0.15 -1.31 2.05 1.55 0.41 0.00 0.00 173.24 176.09 1jcq h PRO 61 N 1.80 0.51 -0.61 12.44 0.13 -1.95 -2.09 132.00 142.23 1jcq h PRO 61 Ca -0.50 -0.03 0.00 0.00 -0.87 0.00 0.00 66.00 64.60 1jcq h PRO 61 Cb 1.28 -0.12 0.00 0.00 0.13 0.00 0.00 31.00 32.29 1jcq h PRO 61 CO 0.59 0.34 0.00 -1.13 -0.23 0.00 0.00 178.00 177.57 1jcq n SER 62 N -4.48 3.31 -4.77 1.44 3.41 -1.26 -4.93 113.62 106.33 1jcq n SER 62 Ca 0.04 -2.32 -0.40 0.00 -0.26 0.00 0.00 58.87 55.93 1jcq n SER 62 Cb 0.10 -0.48 -0.00 0.00 -0.26 0.00 0.00 64.21 63.57 1jcq n SER 62 CO 0.00 0.00 0.00 -0.47 -0.16 0.00 0.00 175.04 174.41 1jcq s TYR 63 N -1.77 2.72 -0.02 7.33 5.04 -0.79 -5.01 117.35 124.85 1jcq s TYR 63 Ca 0.33 1.30 0.05 0.00 -2.44 0.00 0.00 57.07 56.31 1jcq s TYR 63 Cb 0.22 -3.85 -0.01 0.00 0.35 0.00 0.00 41.96 38.67 1jcq s TYR 63 CO 0.15 -2.52 -0.17 0.08 -1.34 0.00 0.00 175.55 171.76 1jcq s VAL 64 N -1.17 1.34 0.61 3.14 1.01 -1.26 -5.04 120.40 119.02 1jcq s VAL 64 Ca 0.54 -0.70 -0.19 0.00 0.00 0.00 0.00 61.98 61.63 1jcq s VAL 64 Cb -0.43 -1.12 -0.03 0.00 0.00 0.00 0.00 36.38 34.80 1jcq s VAL 64 CO 0.56 0.38 1.24 -0.76 0.00 0.00 0.00 175.10 176.52 1jcq s LEU 65 N -0.25 3.65 0.38 3.92 1.43 -1.26 -4.89 118.68 121.66 1jcq s LEU 65 Ca 0.03 2.47 0.05 0.00 -1.03 0.00 0.00 54.13 55.65 1jcq s LEU 65 Cb -0.08 -4.59 0.75 0.00 0.03 0.00 0.00 46.19 42.30 1jcq s LEU 65 CO 0.00 -1.71 2.02 1.88 0.23 0.00 0.00 176.35 178.77 1jcq h TYR 66 N 0.81 0.61 0.00 0.29 -1.99 -1.95 -1.14 116.97 113.60 1jcq h TYR 66 Ca -0.51 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.23 1jcq h TYR 66 Cb 1.31 -0.20 0.00 0.00 2.00 0.00 0.00 36.73 39.84 1jcq h TYR 66 CO 0.45 0.41 0.00 2.89 -0.00 0.00 0.00 178.16 181.91 1jcq n ARG 67 N -4.44 0.08 0.00 4.88 1.85 -1.26 -1.83 116.66 115.95 1jcq n ARG 67 Ca 0.04 0.40 0.07 0.00 -1.00 0.00 0.00 57.85 57.36 1jcq n ARG 67 Cb 0.08 -1.68 0.03 0.00 -1.05 0.00 0.00 32.46 29.84 1jcq n ARG 67 CO 0.00 0.00 0.00 -0.25 -0.01 0.00 0.00 177.63 177.37 1jcq n ASP 68 N -1.83 1.87 -4.68 2.89 8.00 -0.45 -4.96 116.55 117.40 1jcq n ASP 68 Ca 0.02 -1.43 -0.40 0.00 0.71 0.00 0.00 54.79 53.68 1jcq n ASP 68 Cb 0.14 0.26 -0.05 0.00 -0.02 0.00 0.00 41.12 41.45 1jcq n ASP 68 CO 0.00 0.00 0.00 -0.13 -0.39 0.00 0.00 177.20 176.68 1jcq s ARG 69 N -1.56 4.29 0.21 -1.24 0.52 -0.76 -4.96 118.95 115.46 1jcq s ARG 69 Ca 0.15 0.81 -0.10 0.00 -0.52 0.00 0.00 55.73 56.07 1jcq s ARG 69 Cb 0.12 -3.54 0.18 0.00 0.52 0.00 0.00 34.95 32.23 1jcq s ARG 69 CO 0.29 -0.19 1.85 0.00 0.02 0.00 0.00 175.30 177.27 1jcq h ALA 70 N 7.25 0.90 0.00 2.13 0.00 -1.93 -1.91 119.26 125.71 1jcq h ALA 70 Ca -0.33 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.56 1jcq h ALA 70 Cb 1.15 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 18.71 1jcq h ALA 70 CO 0.79 0.22 0.00 -0.85 0.00 0.00 0.00 179.25 179.41 1jcq n GLU 71 N -4.66 0.20 0.00 0.00 0.00 -1.26 -1.43 120.64 113.49 1jcq n GLU 71 Ca 0.07 0.00 0.00 0.00 0.00 0.00 0.00 57.16 57.23 1jcq n GLU 71 Cb 0.08 -1.50 0.00 0.00 0.00 0.00 0.00 31.44 30.02 1jcq n GLU 71 CO 0.00 0.00 0.00 0.91 0.00 0.00 0.00 177.13 178.04 1jcq n TRP 72 N -1.00 0.00 0.22 -1.84 7.02 -0.73 -4.77 117.44 116.35 1jcq n TRP 72 Ca 0.05 -0.05 0.05 0.00 -1.02 0.00 0.00 57.50 56.53 1jcq n TRP 72 Cb 0.02 -0.00 0.51 0.00 -2.42 0.00 0.00 31.31 29.42 1jcq n TRP 72 CO 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 177.69 175.67 1jcq h ALA 73 N 0.00 1.72 0.00 6.99 0.00 -1.13 -2.65 119.26 124.19 1jcq h ALA 73 Ca 0.00 -0.15 -0.02 0.00 0.00 0.00 0.00 54.91 54.74 1jcq h ALA 73 Cb 0.12 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 17.88 1jcq h ALA 73 CO 0.00 0.21 -0.11 0.38 0.00 0.00 0.00 179.25 179.73 1jcq h ASP 74 N 0.01 0.00 -3.30 0.00 3.04 -1.86 -3.42 116.42 110.88 1jcq h ASP 74 Ca -0.00 0.00 -0.64 0.00 -3.24 0.00 0.00 57.03 53.15 1jcq h ASP 74 Cb 0.29 0.00 -0.18 0.00 -1.04 0.00 0.00 39.33 38.40 1jcq h ASP 74 CO 0.02 0.11 -0.62 -0.51 -2.04 0.00 0.00 179.24 176.20 1jcq s ILE 75 N -3.95 4.28 0.11 4.15 2.07 -1.00 -5.09 121.20 121.76 1jcq s ILE 75 Ca -0.01 -0.23 -0.26 0.00 -1.41 0.00 0.00 60.65 58.74 1jcq s ILE 75 Cb 0.12 -2.88 -0.07 0.00 0.13 0.00 0.00 42.46 39.76 1jcq s ILE 75 CO 0.57 0.51 0.80 -1.81 -1.91 0.00 0.00 174.94 173.10 1jcq s ASP 76 N 0.06 7.33 0.60 4.50 -0.00 -1.26 -5.01 116.67 122.89 1jcq s ASP 76 Ca 0.02 1.59 -0.16 0.00 -0.00 0.00 0.00 52.55 54.00 1jcq s ASP 76 Cb -0.13 -2.50 -0.03 0.00 -0.00 0.00 0.00 42.92 40.26 1jcq s ASP 76 CO 0.02 0.09 1.08 -2.16 -0.00 0.00 0.00 175.17 174.20 1jcq s PRO 77 N -0.53 3.18 -0.40 8.23 0.04 -1.26 -4.79 135.00 139.46 1jcq s PRO 77 Ca 0.38 1.32 -0.04 0.00 0.04 0.00 0.00 61.00 62.70 1jcq s PRO 77 Cb -0.22 -2.01 0.10 0.00 0.04 0.00 0.00 34.50 32.41 1jcq s PRO 77 CO 0.25 -0.94 0.20 0.08 0.04 0.00 0.00 177.00 176.64 1jcq s VAL 78 N -2.30 3.49 0.57 -0.36 1.01 0.29 -4.95 120.40 118.15 1jcq s VAL 78 Ca 0.66 -1.83 -0.19 0.00 0.00 0.00 0.00 61.98 60.62 1jcq s VAL 78 Cb -0.18 -3.29 -0.05 0.00 0.00 0.00 0.00 36.38 32.86 1jcq s VAL 78 CO 0.36 -0.59 1.17 -2.16 0.00 0.00 0.00 175.10 173.88 1jcq s PRO 79 N 1.22 3.15 0.06 2.72 0.04 -1.26 -4.49 135.00 136.43 1jcq s PRO 79 Ca 0.05 1.72 -0.31 0.00 0.04 0.00 0.00 61.00 62.50 1jcq s PRO 79 Cb -0.23 -1.97 -0.05 0.00 0.04 0.00 0.00 34.50 32.29 1jcq s PRO 79 CO -0.02 -1.04 1.18 -1.14 0.04 0.00 0.00 177.00 176.02 1jcq s GLN 80 N -3.32 4.44 -0.41 4.56 0.74 -1.26 -5.00 119.66 119.41 1jcq s GLN 80 Ca 0.75 1.74 -0.15 0.00 0.05 0.00 0.00 55.36 57.75 1jcq s GLN 80 Cb -0.27 -3.36 0.02 0.00 1.10 0.00 0.00 33.01 30.50 1jcq s GLN 80 CO 0.30 -0.24 0.33 1.21 -0.55 0.00 0.00 175.29 176.34 1jcq s ASN 81 N 1.06 6.13 0.00 6.67 2.47 -1.26 -4.89 114.94 125.11 1jcq s ASN 81 Ca 0.58 -0.81 0.26 0.00 0.42 0.00 0.00 52.86 53.30 1jcq s ASN 81 Cb -0.29 -2.17 0.58 0.00 -1.45 0.00 0.00 41.25 37.92 1jcq s ASN 81 CO 0.29 -0.46 1.47 0.47 -3.72 0.00 0.00 177.10 175.15 1jcq n ASP 82 N 5.25 2.05 0.00 -4.21 8.00 -1.26 -5.07 116.55 121.32 1jcq n ASP 82 Ca -0.10 -1.61 0.00 0.00 0.71 0.00 0.00 54.79 53.79 1jcq n ASP 82 Cb 0.47 0.07 0.00 0.00 -0.02 0.00 0.00 41.12 41.64 1jcq n ASP 82 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1jcq n GLY 83 N 1.29 0.31 0.25 0.44 0.00 -1.26 -4.43 105.19 101.78 1jcq n GLY 83 Ca 0.15 -1.79 -0.03 0.00 0.00 0.00 0.00 46.02 44.35 1jcq n GLY 83 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1jcq h PRO 84 N 0.00 0.70 -3.79 1.61 0.13 -2.04 -3.35 132.00 125.27 1jcq h PRO 84 Ca 0.00 -0.04 -0.68 0.00 -0.87 0.00 0.00 66.00 64.41 1jcq h PRO 84 Cb 0.00 -0.16 -0.37 0.00 0.13 0.00 0.00 31.00 30.60 1jcq h PRO 84 CO 0.00 0.47 -0.50 -0.80 -0.23 0.00 0.00 178.00 176.94 1jcq s ASN 85 N -5.65 4.95 0.31 1.44 0.01 -1.26 -5.09 114.94 109.65 1jcq s ASN 85 Ca -0.13 -2.69 -0.29 0.00 -0.71 0.00 0.00 52.86 49.04 1jcq s ASN 85 Cb 0.15 -1.77 -0.10 0.00 0.41 0.00 0.00 41.25 39.93 1jcq s ASN 85 CO 0.76 -0.36 1.33 -2.84 -1.51 0.00 0.00 177.10 174.48 1jcq s PRO 86 N 0.17 4.34 0.20 -0.60 0.02 -1.26 -5.06 135.00 132.81 1jcq s PRO 86 Ca 0.15 2.23 0.11 0.00 0.02 0.00 0.00 61.00 63.51 1jcq s PRO 86 Cb -0.22 -3.08 -0.04 0.00 0.02 0.00 0.00 34.50 31.17 1jcq s PRO 86 CO -0.03 -0.24 -0.23 0.14 -0.33 0.00 0.00 177.00 176.31 1jcq s VAL 87 N -0.87 2.31 -1.15 3.83 -7.23 -1.26 -4.68 120.40 111.35 1jcq s VAL 87 Ca 0.51 -2.06 -0.15 0.00 -1.81 0.00 0.00 61.98 58.47 1jcq s VAL 87 Cb -0.40 -2.12 0.15 0.00 0.56 0.00 0.00 36.38 34.57 1jcq s VAL 87 CO 0.51 -0.17 0.36 1.33 -0.31 0.00 0.00 175.10 176.83 1jcq n VAL 88 N 0.17 0.00 -2.59 1.32 0.24 -1.26 -4.82 118.33 111.40 1jcq n VAL 88 Ca -0.12 0.00 -0.43 0.00 -2.04 0.00 0.00 64.34 61.75 1jcq n VAL 88 Cb 0.56 -0.30 -0.02 0.00 -1.47 0.00 0.00 33.84 32.61 1jcq n VAL 88 CO 0.00 0.00 0.00 -1.58 -2.14 0.00 0.00 176.83 173.11 1jcq s GLN 89 N -6.02 4.04 0.00 7.34 0.74 -1.26 -5.01 119.66 119.49 1jcq s GLN 89 Ca 0.51 1.13 -0.29 0.00 0.05 0.00 0.00 55.36 56.76 1jcq s GLN 89 Cb -0.30 -3.77 -0.03 0.00 1.10 0.00 0.00 33.01 30.01 1jcq s GLN 89 CO 0.63 -0.94 0.93 0.42 -0.55 0.00 0.00 175.29 175.78 1jcq s ILE 90 N 3.80 4.85 -0.89 -2.34 1.01 -1.26 -4.98 121.20 121.39 1jcq s ILE 90 Ca 0.48 1.96 -0.21 0.00 0.00 0.00 0.00 60.65 62.89 1jcq s ILE 90 Cb -0.13 -4.28 0.10 0.00 0.01 0.00 0.00 42.46 38.16 1jcq s ILE 90 CO 0.17 0.20 1.17 -0.63 0.00 0.00 0.00 174.94 175.85 1jcq s ILE 91 N 0.83 4.44 0.50 2.92 -1.09 -1.26 -5.00 121.20 122.54 1jcq s ILE 91 Ca 0.49 -1.10 -0.20 0.00 -2.23 0.00 0.00 60.65 57.61 1jcq s ILE 91 Cb -0.21 -4.83 -0.07 0.00 -1.58 0.00 0.00 42.46 35.77 1jcq s ILE 91 CO 0.27 -1.60 1.09 -0.31 -1.23 0.00 0.00 174.94 173.15 1jcq s TYR 92 N 3.55 2.87 0.86 3.97 1.51 -1.26 -5.04 117.35 123.81 1jcq s TYR 92 Ca 0.34 1.56 -0.11 0.00 -1.01 0.00 0.00 57.07 57.85 1jcq s TYR 92 Cb -0.06 -3.20 0.11 0.00 -0.11 0.00 0.00 41.96 38.70 1jcq s TYR 92 CO -0.05 -1.19 1.09 -1.54 -1.11 0.00 0.00 175.55 172.75 1jcq s SER 93 N -1.80 3.71 0.24 2.29 1.04 -1.26 -4.80 113.70 113.12 1jcq s SER 93 Ca 0.69 1.69 -0.04 0.00 0.48 0.00 0.00 55.95 58.77 1jcq s SER 93 Cb -0.21 -2.35 0.26 0.00 0.10 0.00 0.00 66.02 63.82 1jcq s SER 93 CO 0.25 -2.52 1.71 -0.78 0.98 0.00 0.00 173.24 172.88 1jcq h ASP 94 N -1.47 0.81 -0.44 7.02 3.58 -1.99 -2.04 116.42 121.88 1jcq h ASP 94 Ca -0.47 -0.22 -0.06 0.00 0.42 0.00 0.00 57.03 56.70 1jcq h ASP 94 Cb 1.26 -0.22 -0.02 0.00 1.72 0.00 0.00 39.33 42.08 1jcq h ASP 94 CO 0.52 0.91 0.05 0.11 -2.88 0.00 0.00 179.24 177.94 1jcq h LYS 95 N 0.76 0.75 0.46 0.28 1.57 -1.99 -0.42 116.57 117.99 1jcq h LYS 95 Ca 0.14 -0.22 -0.02 0.00 -1.87 0.00 0.00 60.65 58.68 1jcq h LYS 95 Cb 0.54 -0.08 0.00 0.00 0.08 0.00 0.00 32.23 32.77 1jcq h LYS 95 CO 0.03 0.79 -0.22 0.35 -0.57 0.00 0.00 179.45 179.83 1jcq h PHE 96 N 0.61 -0.57 -0.55 -1.35 3.57 -1.90 -1.79 116.94 114.96 1jcq h PHE 96 Ca 0.13 -0.01 0.02 0.00 3.53 0.00 0.00 57.97 61.64 1jcq h PHE 96 Cb 0.42 0.19 -0.03 0.00 2.79 0.00 0.00 35.95 39.32 1jcq h PHE 96 CO 0.03 -0.32 0.34 -0.09 -2.23 0.00 0.00 178.31 176.05 1jcq h ARG 97 N -0.69 0.67 -0.28 1.11 2.43 -1.38 -1.83 114.38 114.41 1jcq h ARG 97 Ca -0.06 -0.04 0.06 0.00 -0.81 0.00 0.00 59.98 59.13 1jcq h ARG 97 Cb 0.51 -0.15 -0.06 0.00 -0.42 0.00 0.00 29.97 29.85 1jcq h ARG 97 CO 0.10 0.44 -0.14 0.22 -1.51 0.00 0.00 179.97 179.08 1jcq h ASP 98 N 0.69 -0.47 -0.22 -3.80 3.58 -0.93 0.70 116.42 115.96 1jcq h ASP 98 Ca 0.22 0.11 -0.01 0.00 0.42 0.00 0.00 57.03 57.77 1jcq h ASP 98 Cb -0.01 0.26 -0.01 0.00 1.72 0.00 0.00 39.33 41.29 1jcq h ASP 98 CO -0.08 -0.18 0.12 0.58 -2.88 0.00 0.00 179.24 176.80 1jcq h VAL 99 N -0.10 1.12 0.00 2.25 2.07 -1.04 -2.86 116.25 117.69 1jcq h VAL 99 Ca 0.15 -0.35 -0.03 0.00 0.82 0.00 0.00 66.70 67.29 1jcq h VAL 99 Cb 0.33 0.95 -0.00 0.00 -1.52 0.00 0.00 31.29 31.04 1jcq h VAL 99 CO -0.35 0.12 -0.17 1.88 0.02 0.00 0.00 177.57 179.08 1jcq h TYR 100 N 0.24 0.00 -0.02 1.57 -1.99 -0.92 -0.30 116.97 115.55 1jcq h TYR 100 Ca 0.08 0.00 -0.11 0.00 2.00 0.00 0.00 58.73 60.69 1jcq h TYR 100 Cb 0.09 0.00 -0.01 0.00 2.00 0.00 0.00 36.73 38.81 1jcq h TYR 100 CO -0.03 0.17 -0.52 -0.44 -0.00 0.00 0.00 178.16 177.34 1jcq h ASP 101 N 0.00 0.06 0.42 3.88 3.45 -0.64 0.55 116.42 124.15 1jcq h ASP 101 Ca -0.00 -0.03 -0.31 0.00 0.43 0.00 0.00 57.03 57.12 1jcq h ASP 101 Cb 0.52 -0.02 -0.02 0.00 -0.56 0.00 0.00 39.33 39.26 1jcq h ASP 101 CO 0.02 0.57 -1.62 1.88 -1.57 0.00 0.00 179.24 178.52 1jcq h TYR 102 N 0.04 0.37 -0.40 4.55 -1.99 -1.30 0.88 116.97 119.12 1jcq h TYR 102 Ca -0.00 -0.27 -0.02 0.00 2.00 0.00 0.00 58.73 60.44 1jcq h TYR 102 Cb 0.94 -0.01 -0.02 0.00 2.00 0.00 0.00 36.73 39.63 1jcq h TYR 102 CO 0.00 1.37 0.18 0.35 -0.00 0.00 0.00 178.16 180.06 1jcq h PHE 103 N 0.06 0.59 -0.91 4.88 3.57 -0.94 -0.45 116.94 123.74 1jcq h PHE 103 Ca -0.27 -0.04 0.09 0.00 3.53 0.00 0.00 57.97 61.29 1jcq h PHE 103 Cb 2.01 -0.18 -0.07 0.00 2.79 0.00 0.00 35.95 40.50 1jcq h PHE 103 CO 0.05 0.51 0.56 0.00 -2.23 0.00 0.00 178.31 177.20 1jcq h ARG 104 N 0.51 0.92 -0.32 1.11 3.08 -0.98 -0.71 114.38 117.99 1jcq h ARG 104 Ca 0.14 -0.06 -0.07 0.00 0.07 0.00 0.00 59.98 60.06 1jcq h ARG 104 Cb 0.15 -0.21 -0.01 0.00 0.08 0.00 0.00 29.97 29.98 1jcq h ARG 104 CO -0.01 0.61 -0.08 0.00 -1.07 0.00 0.00 179.97 179.42 1jcq h ALA 105 N 1.47 0.44 -0.43 0.04 0.00 -1.21 -1.21 119.26 118.36 1jcq h ALA 105 Ca 0.43 -0.29 -0.11 0.00 0.00 0.00 0.00 54.91 54.94 1jcq h ALA 105 Cb 0.34 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.00 1jcq h ALA 105 CO -0.23 0.27 -0.15 -0.39 0.00 0.00 0.00 179.25 178.75 1jcq h VAL 106 N 0.38 1.27 -0.22 0.00 -1.51 -0.69 -2.00 116.25 113.50 1jcq h VAL 106 Ca 0.08 -1.28 0.00 0.00 -1.23 0.00 0.00 66.70 64.27 1jcq h VAL 106 Cb 0.57 1.19 -0.01 0.00 -2.13 0.00 0.00 31.29 30.91 1jcq h VAL 106 CO 0.03 0.43 0.14 0.25 -1.23 0.00 0.00 177.57 177.19 1jcq h LEU 107 N 0.69 0.26 -1.39 4.19 5.85 -1.11 0.45 115.31 124.25 1jcq h LEU 107 Ca 0.10 -0.03 0.01 0.00 0.84 0.00 0.00 57.88 58.80 1jcq h LEU 107 Cb 0.70 -0.06 -0.03 0.00 0.37 0.00 0.00 40.66 41.63 1jcq h LEU 107 CO 0.05 0.21 0.41 -0.61 -0.34 0.00 0.00 178.44 178.17 1jcq h GLN 108 N 0.28 0.82 -0.01 1.25 4.15 -1.16 -0.33 115.11 120.10 1jcq h GLN 108 Ca 0.08 -0.05 0.00 0.00 0.77 0.00 0.00 58.65 59.45 1jcq h GLN 108 Cb -0.00 -0.18 0.00 0.00 0.21 0.00 0.00 27.48 27.50 1jcq h GLN 108 CO -0.02 0.54 -0.16 0.54 -1.93 0.00 0.00 178.83 177.81 1jcq n ARG 109 N -4.44 1.12 -4.06 1.69 1.74 -0.76 -4.95 116.66 107.00 1jcq n ARG 109 Ca 0.06 -0.64 -0.32 0.00 -0.77 0.00 0.00 57.85 56.18 1jcq n ARG 109 Cb 0.04 -1.49 -0.01 0.00 -1.02 0.00 0.00 32.46 29.99 1jcq n ARG 109 CO 0.00 0.00 0.00 -3.47 -1.52 0.00 0.00 177.63 172.64 1jcq n ASP 110 N -0.38 -3.19 -4.60 0.55 2.03 0.15 -4.87 116.55 106.24 1jcq n ASP 110 Ca 0.15 -0.93 -0.43 0.00 0.52 0.00 0.00 54.79 54.10 1jcq n ASP 110 Cb 0.35 -3.21 -0.02 0.00 -0.72 0.00 0.00 41.12 37.51 1jcq n ASP 110 CO 0.00 0.00 0.00 -0.70 -1.92 0.00 0.00 177.20 174.58 1jcq s GLU 111 N -6.73 3.68 -1.35 -0.67 2.12 -0.66 -4.92 118.70 110.17 1jcq s GLU 111 Ca 0.56 0.82 -0.07 0.00 0.36 0.00 0.00 54.97 56.64 1jcq s GLU 111 Cb -0.30 -3.96 0.11 0.00 0.26 0.00 0.00 34.13 30.24 1jcq s GLU 111 CO 0.89 -1.44 2.31 0.54 -0.54 0.00 0.00 175.26 177.02 1jcq n ARG 112 N 7.88 4.18 -3.84 4.30 5.12 -1.26 -4.83 116.66 128.22 1jcq n ARG 112 Ca 0.14 -3.31 -0.21 0.00 -1.93 0.00 0.00 57.85 52.54 1jcq n ARG 112 Cb 0.48 -2.75 -0.04 0.00 -1.16 0.00 0.00 32.46 28.99 1jcq n ARG 112 CO 0.00 0.00 0.00 -1.54 -1.93 0.00 0.00 177.63 174.16 1jcq s SER 113 N 0.79 5.14 0.30 0.55 1.04 -1.26 -4.80 113.70 115.46 1jcq s SER 113 Ca 0.52 -0.58 0.10 0.00 0.48 0.00 0.00 55.95 56.46 1jcq s SER 113 Cb 0.16 -0.87 0.47 0.00 0.10 0.00 0.00 66.02 65.87 1jcq s SER 113 CO -0.06 -0.38 1.69 -0.08 0.98 0.00 0.00 173.24 175.38 1jcq h GLU 114 N 1.28 0.07 -0.22 4.02 4.57 -1.99 -1.76 114.58 120.54 1jcq h GLU 114 Ca -0.44 -0.04 -0.15 0.00 -1.18 0.00 0.00 59.36 57.55 1jcq h GLU 114 Cb 1.25 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 29.84 1jcq h GLU 114 CO 0.59 0.56 -0.49 0.07 -1.18 0.00 0.00 179.01 178.56 1jcq h ARG 115 N 0.06 0.60 -0.63 1.92 0.11 -1.97 -1.88 114.38 112.59 1jcq h ARG 115 Ca -0.00 -0.35 -0.09 0.00 0.10 0.00 0.00 59.98 59.64 1jcq h ARG 115 Cb 0.92 0.03 -0.02 0.00 1.11 0.00 0.00 29.97 32.00 1jcq h ARG 115 CO 0.07 0.95 0.04 0.00 0.10 0.00 0.00 179.97 181.14 1jcq h ALA 116 N 0.99 0.88 -0.50 0.08 0.00 -1.83 0.13 119.26 119.00 1jcq h ALA 116 Ca 0.02 -0.30 -0.00 0.00 0.00 0.00 0.00 54.91 54.64 1jcq h ALA 116 Cb 1.02 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 18.55 1jcq h ALA 116 CO 0.10 0.67 0.31 0.35 0.00 0.00 0.00 179.25 180.68 1jcq h PHE 117 N 1.00 0.65 -0.19 0.00 3.57 -0.91 -0.99 116.94 120.07 1jcq h PHE 117 Ca 0.18 0.00 -0.12 0.00 3.53 0.00 0.00 57.97 61.56 1jcq h PHE 117 Cb 0.51 -0.22 -0.01 0.00 2.79 0.00 0.00 35.95 39.02 1jcq h PHE 117 CO 0.04 0.44 -0.42 0.87 -2.23 0.00 0.00 178.31 177.01 1jcq h LYS 118 N 0.67 0.44 -0.92 1.11 1.57 -1.12 -2.90 116.57 115.43 1jcq h LYS 118 Ca 0.18 -0.22 0.02 0.00 -1.87 0.00 0.00 60.65 58.76 1jcq h LYS 118 Cb -0.03 0.00 -0.05 0.00 0.08 0.00 0.00 32.23 32.23 1jcq h LYS 118 CO -0.04 0.78 0.61 1.25 -0.57 0.00 0.00 179.45 181.48 1jcq h LEU 119 N 0.36 1.02 -1.64 2.94 5.85 -0.06 -1.20 115.31 122.58 1jcq h LEU 119 Ca 0.03 -0.02 -0.02 0.00 0.84 0.00 0.00 57.88 58.71 1jcq h LEU 119 Cb 0.89 -0.25 -0.01 0.00 0.37 0.00 0.00 40.66 41.66 1jcq h LEU 119 CO 0.07 0.72 0.04 0.71 -0.34 0.00 0.00 178.44 179.64 1jcq h THR 120 N 1.20 1.10 -0.79 1.05 1.35 -1.00 -1.46 112.91 114.36 1jcq h THR 120 Ca 0.35 -0.36 -0.01 0.00 -0.55 0.00 0.00 66.41 65.84 1jcq h THR 120 Cb -0.06 0.92 -0.04 0.00 -1.73 0.00 0.00 68.15 67.25 1jcq h THR 120 CO -0.09 0.13 0.45 -0.09 -0.25 0.00 0.00 175.52 175.66 1jcq h ARG 121 N 0.26 1.09 -0.17 4.72 2.43 -1.24 0.50 114.38 121.96 1jcq h ARG 121 Ca 0.07 -0.11 -0.22 0.00 -0.81 0.00 0.00 59.98 58.90 1jcq h ARG 121 Cb 0.12 -0.22 0.01 0.00 -0.42 0.00 0.00 29.97 29.46 1jcq h ARG 121 CO -0.00 0.78 -0.75 -0.44 -1.51 0.00 0.00 179.97 178.05 1jcq h ASP 122 N 1.10 0.96 -0.95 -3.80 3.32 -1.27 -2.18 116.42 113.60 1jcq h ASP 122 Ca 0.28 -0.62 0.01 0.00 0.02 0.00 0.00 57.03 56.73 1jcq h ASP 122 Cb -0.00 -0.28 -0.05 0.00 0.22 0.00 0.00 39.33 39.22 1jcq h ASP 122 CO -0.05 1.42 0.63 0.00 -1.72 0.00 0.00 179.24 179.52 1jcq h ALA 123 N 0.56 1.33 -0.27 3.45 0.00 -0.88 -1.18 119.26 122.28 1jcq h ALA 123 Ca -0.05 -0.06 -0.10 0.00 0.00 0.00 0.00 54.91 54.70 1jcq h ALA 123 Cb 1.38 -0.38 -0.01 0.00 0.00 0.00 0.00 17.79 18.78 1jcq h ALA 123 CO 0.16 0.61 -0.28 0.82 0.00 0.00 0.00 179.25 180.56 1jcq h ILE 124 N 1.27 1.27 -0.33 0.00 2.04 -0.83 -0.23 117.51 120.71 1jcq h ILE 124 Ca 0.35 -1.33 -0.15 0.00 1.00 0.00 0.00 64.86 64.73 1jcq h ILE 124 Cb -0.12 1.37 -0.01 0.00 -0.74 0.00 0.00 36.82 37.32 1jcq h ILE 124 CO -0.08 0.43 -0.40 -0.08 0.00 0.00 0.00 178.15 178.02 1jcq h GLU 125 N 0.46 0.78 -0.42 2.37 4.81 -0.71 -0.69 114.58 121.18 1jcq h GLU 125 Ca 0.06 -0.41 -0.09 0.00 -0.13 0.00 0.00 59.36 58.79 1jcq h GLU 125 Cb 0.72 0.01 -0.02 0.00 0.63 0.00 0.00 28.75 30.09 1jcq h GLU 125 CO 0.06 1.04 -0.10 -0.07 -0.73 0.00 0.00 179.01 179.20 1jcq h LEU 126 N 0.64 0.74 -6.11 1.64 3.38 -0.89 -3.40 115.31 111.30 1jcq h LEU 126 Ca 0.05 -0.21 -0.13 0.00 0.09 0.00 0.00 57.88 57.67 1jcq h LEU 126 Cb 0.95 -0.20 -0.23 0.00 0.09 0.00 0.00 40.66 41.28 1jcq h LEU 126 CO 0.09 0.87 -0.51 0.21 0.09 0.00 0.00 178.44 179.19 1jcq s ASN 127 N -6.70 -0.76 0.00 -0.43 2.47 -0.13 -5.01 114.94 104.38 1jcq s ASN 127 Ca -0.09 -0.84 0.12 0.00 0.42 0.00 0.00 52.86 52.46 1jcq s ASN 127 Cb 0.14 1.58 0.56 0.00 -1.45 0.00 0.00 41.25 42.07 1jcq s ASN 127 CO 0.82 -0.22 1.30 0.00 -3.72 0.00 0.00 177.10 175.28 1jcq n ALA 128 N 4.55 1.65 0.52 1.71 0.00 -0.27 -1.99 120.51 126.68 1jcq n ALA 128 Ca 0.10 -0.05 0.12 0.00 0.00 0.00 0.00 53.44 53.60 1jcq n ALA 128 Cb 0.53 -1.19 0.25 0.00 0.00 0.00 0.00 19.45 19.04 1jcq n ALA 128 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1jcq n ALA 129 N -1.34 2.44 -2.59 0.00 0.00 -1.26 -4.64 120.51 113.12 1jcq n ALA 129 Ca 0.05 -0.89 -0.41 0.00 0.00 0.00 0.00 53.44 52.19 1jcq n ALA 129 Cb 0.10 -0.92 -0.03 0.00 0.00 0.00 0.00 19.45 18.60 1jcq n ALA 129 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.50 178.71 1jcq s ASN 130 N -1.50 6.29 0.47 0.00 3.84 -0.84 -4.85 114.94 118.34 1jcq s ASN 130 Ca 0.37 -0.86 0.15 0.00 0.21 0.00 0.00 52.86 52.73 1jcq s ASN 130 Cb 0.22 -2.55 1.10 0.00 -0.55 0.00 0.00 41.25 39.47 1jcq s ASN 130 CO 0.30 -1.68 2.05 0.10 -2.79 0.00 0.00 177.10 175.09 1jcq h TYR 131 N 9.88 0.01 -0.52 0.43 -0.00 -1.90 -2.61 116.97 122.26 1jcq h TYR 131 Ca -0.11 -0.00 -0.05 0.00 0.00 0.00 0.00 58.73 58.56 1jcq h TYR 131 Cb 1.04 -0.00 -0.02 0.00 0.00 0.00 0.00 36.73 37.74 1jcq h TYR 131 CO 1.17 0.12 0.11 1.15 -0.00 0.00 0.00 178.16 180.71 1jcq h THR 132 N 0.01 1.25 -0.18 -0.90 2.02 -2.00 -1.18 112.91 111.94 1jcq h THR 132 Ca 0.00 -0.89 -0.01 0.00 0.77 0.00 0.00 66.41 66.28 1jcq h THR 132 Cb 0.20 0.82 -0.01 0.00 -1.74 0.00 0.00 68.15 67.41 1jcq h THR 132 CO 0.01 0.32 0.07 0.58 0.37 0.00 0.00 175.52 176.87 1jcq h VAL 133 N 0.74 1.17 -0.92 3.16 2.07 -1.88 -1.66 116.25 118.93 1jcq h VAL 133 Ca 0.16 -0.51 0.04 0.00 0.82 0.00 0.00 66.70 67.21 1jcq h VAL 133 Cb 0.36 1.18 -0.06 0.00 -1.52 0.00 0.00 31.29 31.25 1jcq h VAL 133 CO 0.00 0.16 0.59 -0.50 0.02 0.00 0.00 177.57 177.85 1jcq h TRP 134 N 0.12 1.11 -0.02 1.57 4.06 -1.39 0.14 115.95 121.53 1jcq h TRP 134 Ca 0.06 0.03 -0.00 0.00 2.06 0.00 0.00 58.89 61.04 1jcq h TRP 134 Cb 0.19 -0.37 -0.00 0.00 -1.00 0.00 0.00 29.16 27.99 1jcq h TRP 134 CO -0.01 0.62 0.00 1.25 -3.56 0.00 0.00 178.44 176.74 1jcq h HIS 135 N 1.13 0.02 -0.55 0.49 2.76 -0.97 -1.44 115.15 116.59 1jcq h HIS 135 Ca 0.37 -0.00 0.01 0.00 -2.20 0.00 0.00 60.37 58.55 1jcq h HIS 135 Cb 0.05 -0.01 -0.03 0.00 1.55 0.00 0.00 27.41 28.98 1jcq h HIS 135 CO -0.01 0.22 0.36 0.35 -1.30 0.00 0.00 177.93 177.55 1jcq h PHE 136 N -0.18 0.68 -0.63 5.26 3.57 -0.99 -0.40 116.94 124.26 1jcq h PHE 136 Ca 0.00 0.02 -0.03 0.00 3.53 0.00 0.00 57.97 61.49 1jcq h PHE 136 Cb 0.21 -0.23 -0.03 0.00 2.79 0.00 0.00 35.95 38.69 1jcq h PHE 136 CO -0.01 0.43 0.29 -0.09 -2.23 0.00 0.00 178.31 176.70 1jcq h ARG 137 N 0.73 0.91 -0.23 1.11 2.43 -0.59 -0.21 114.38 118.53 1jcq h ARG 137 Ca 0.20 -0.14 -0.07 0.00 -0.81 0.00 0.00 59.98 59.16 1jcq h ARG 137 Cb -0.08 -0.16 -0.01 0.00 -0.42 0.00 0.00 29.97 29.30 1jcq h ARG 137 CO -0.04 0.74 -0.16 0.00 -1.51 0.00 0.00 179.97 179.00 1jcq h ARG 138 N 0.87 0.39 -0.33 0.20 3.08 -0.18 0.34 114.38 118.75 1jcq h ARG 138 Ca 0.21 -0.11 -0.07 0.00 0.07 0.00 0.00 59.98 60.08 1jcq h ARG 138 Cb 0.14 -0.04 -0.02 0.00 0.08 0.00 0.00 29.97 30.13 1jcq h ARG 138 CO -0.02 0.55 -0.07 0.28 -1.07 0.00 0.00 179.97 179.63 1jcq h VAL 139 N 0.37 1.22 -0.01 2.04 2.07 -0.28 -2.77 116.25 118.88 1jcq h VAL 139 Ca 0.07 -0.95 -0.23 0.00 0.82 0.00 0.00 66.70 66.41 1jcq h VAL 139 Cb 0.49 1.05 0.00 0.00 -1.52 0.00 0.00 31.29 31.32 1jcq h VAL 139 CO 0.03 0.32 -0.93 -0.07 0.02 0.00 0.00 177.57 176.94 1jcq h LEU 140 N 0.51 0.58 -1.10 2.57 3.38 0.10 -2.13 115.31 119.23 1jcq h LEU 140 Ca 0.10 -0.46 0.05 0.00 0.09 0.00 0.00 57.88 57.67 1jcq h LEU 140 Cb 0.44 -0.18 -0.06 0.00 0.09 0.00 0.00 40.66 40.96 1jcq h LEU 140 CO 0.02 1.25 0.61 -0.07 0.09 0.00 0.00 178.44 180.34 1jcq h LEU 141 N 0.26 0.97 0.31 1.67 3.38 -0.79 0.04 115.31 121.16 1jcq h LEU 141 Ca -0.08 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.88 1jcq h LEU 141 Cb 1.56 -0.21 0.00 0.00 0.09 0.00 0.00 40.66 42.10 1jcq h LEU 141 CO 0.16 0.64 -0.15 0.50 0.09 0.00 0.00 178.44 179.69 1jcq h LYS 142 N 1.11 -0.40 0.02 1.13 3.64 -1.43 -1.37 116.57 119.28 1jcq h LYS 142 Ca 0.39 0.03 0.03 0.00 -1.27 0.00 0.00 60.65 59.83 1jcq h LYS 142 Cb 0.13 0.09 -0.05 0.00 -0.41 0.00 0.00 32.23 31.98 1jcq h LYS 142 CO -0.14 -0.13 -0.46 0.77 -2.27 0.00 0.00 179.45 177.22 1jcq h SER 143 N -1.03 -1.40 0.28 4.20 0.02 -1.27 -0.93 113.55 113.43 1jcq h SER 143 Ca -0.04 0.16 0.00 0.00 -0.84 0.00 0.00 61.79 61.07 1jcq h SER 143 Cb 0.45 0.54 0.00 0.00 0.14 0.00 0.00 62.40 63.52 1jcq h SER 143 CO 0.07 -0.49 0.00 0.18 -1.14 0.00 0.00 176.83 175.45 1jcq n LEU 144 N -5.46 0.00 -3.92 5.07 4.77 -0.01 -4.88 117.00 112.56 1jcq n LEU 144 Ca -0.06 0.22 -0.27 0.00 -0.03 0.00 0.00 56.01 55.86 1jcq n LEU 144 Cb 0.38 -0.22 0.01 0.00 -2.33 0.00 0.00 43.42 41.26 1jcq n LEU 144 CO 0.15 -0.08 -0.06 0.00 -1.33 0.00 0.00 177.39 176.07 1jcq n GLN 145 N -1.22 -4.32 -1.59 3.23 6.02 -0.36 -4.91 117.38 114.23 1jcq n GLN 145 Ca 0.11 0.51 -0.34 0.00 -0.01 0.00 0.00 57.00 57.26 1jcq n GLN 145 Cb 0.14 -5.05 0.07 0.00 1.02 0.00 0.00 30.24 26.41 1jcq n GLN 145 CO 0.00 0.00 0.00 0.15 -1.01 0.00 0.00 177.06 176.20 1jcq s LYS 146 N -6.48 2.42 -0.21 -1.09 -0.14 -0.60 -4.90 119.74 108.74 1jcq s LYS 146 Ca 0.30 1.67 -0.29 0.00 -1.36 0.00 0.00 55.97 56.29 1jcq s LYS 146 Cb -0.16 -1.88 -0.03 0.00 -1.68 0.00 0.00 37.83 34.09 1jcq s LYS 146 CO 0.86 -1.60 1.59 0.34 -0.76 0.00 0.00 175.35 175.78 1jcq s ASP 147 N -2.12 6.44 0.48 2.83 -1.08 -1.26 -4.88 116.67 117.08 1jcq s ASP 147 Ca 0.73 1.66 0.23 0.00 -0.52 0.00 0.00 52.55 54.64 1jcq s ASP 147 Cb -0.27 -2.53 1.24 0.00 -1.46 0.00 0.00 42.92 39.90 1jcq s ASP 147 CO 0.43 -1.20 2.01 -0.07 0.52 0.00 0.00 175.17 176.85 1jcq h LEU 148 N 11.46 0.00 -1.27 -1.34 3.38 -1.96 -1.99 115.31 123.58 1jcq h LEU 148 Ca -0.33 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 57.59 1jcq h LEU 148 Cb 1.15 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.89 1jcq h LEU 148 CO 1.00 0.17 -0.21 0.45 0.09 0.00 0.00 178.44 179.94 1jcq h HIS 149 N 0.00 0.00 0.09 1.13 3.86 -1.99 0.66 115.15 118.90 1jcq h HIS 149 Ca -0.00 0.00 -0.00 0.00 -1.16 0.00 0.00 60.37 59.20 1jcq h HIS 149 Cb 0.40 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.87 1jcq h HIS 149 CO 0.00 0.21 -0.04 1.49 0.86 0.00 0.00 177.93 180.44 1jcq h GLU 150 N 0.00 -0.12 -0.50 2.45 4.57 -1.76 -2.65 114.58 116.57 1jcq h GLU 150 Ca -0.00 0.01 0.03 0.00 -1.18 0.00 0.00 59.36 58.22 1jcq h GLU 150 Cb 0.67 0.03 -0.03 0.00 -0.16 0.00 0.00 28.75 29.26 1jcq h GLU 150 CO 0.03 0.36 0.33 1.49 -1.18 0.00 0.00 179.01 180.04 1jcq h GLU 151 N -0.66 0.54 -0.89 1.92 4.57 -1.29 0.45 114.58 119.23 1jcq h GLU 151 Ca -0.01 -0.03 -0.02 0.00 -1.18 0.00 0.00 59.36 58.11 1jcq h GLU 151 Cb 0.53 -0.12 -0.04 0.00 -0.16 0.00 0.00 28.75 28.95 1jcq h GLU 151 CO 0.02 0.36 0.47 0.52 -1.18 0.00 0.00 179.01 179.20 1jcq h MET 152 N 0.56 1.25 -0.46 1.92 2.86 -0.76 0.55 114.93 120.85 1jcq h MET 152 Ca 0.20 -0.16 -0.11 0.00 -2.06 0.00 0.00 59.70 57.58 1jcq h MET 152 Cb 0.12 -0.24 -0.02 0.00 0.06 0.00 0.00 31.60 31.53 1jcq h MET 152 CO -0.05 0.93 -0.16 -0.91 1.06 0.00 0.00 176.91 177.77 1jcq h ASN 153 N 1.25 0.90 0.52 1.22 2.35 -0.59 -0.92 115.58 120.30 1jcq h ASN 153 Ca 0.31 -0.30 -0.03 0.00 -0.55 0.00 0.00 56.30 55.73 1jcq h ASN 153 Cb 0.05 -0.24 0.01 0.00 0.05 0.00 0.00 38.32 38.18 1jcq h ASN 153 CO -0.05 1.05 -0.25 0.22 -1.65 0.00 0.00 177.43 176.75 1jcq h TYR 154 N 0.79 -0.64 0.00 1.19 3.20 -0.49 -2.22 116.97 118.79 1jcq h TYR 154 Ca 0.12 -0.02 -0.00 0.00 3.14 0.00 0.00 58.73 61.97 1jcq h TYR 154 Cb 0.69 0.21 -0.00 0.00 1.54 0.00 0.00 36.73 39.17 1jcq h TYR 154 CO 0.04 -0.34 -0.01 0.97 -1.64 0.00 0.00 178.16 177.18 1jcq h ILE 155 N -0.84 0.93 -0.60 1.81 6.09 -0.88 0.50 117.51 124.52 1jcq h ILE 155 Ca -0.07 -0.03 -0.10 0.00 -1.37 0.00 0.00 64.86 63.29 1jcq h ILE 155 Cb 0.59 1.01 -0.02 0.00 0.47 0.00 0.00 36.82 38.87 1jcq h ILE 155 CO 0.12 0.01 -0.01 0.74 -3.07 0.00 0.00 178.15 175.93 1jcq h THR 156 N 0.00 1.27 0.04 2.19 2.02 -0.97 -0.84 112.91 116.62 1jcq h THR 156 Ca -0.00 -1.17 -0.00 0.00 0.77 0.00 0.00 66.41 66.01 1jcq h THR 156 Cb 0.01 0.82 0.00 0.00 -1.74 0.00 0.00 68.15 67.24 1jcq h THR 156 CO 0.00 0.42 -0.02 0.00 0.37 0.00 0.00 175.52 176.29 1jcq h ALA 157 N 0.98 -0.06 -0.05 6.16 0.00 -0.35 -2.69 119.26 123.25 1jcq h ALA 157 Ca 0.17 -0.18 0.03 0.00 0.00 0.00 0.00 54.91 54.94 1jcq h ALA 157 Cb 0.58 0.02 -0.04 0.00 0.00 0.00 0.00 17.79 18.35 1jcq h ALA 157 CO 0.03 -0.36 -0.18 0.82 0.00 0.00 0.00 179.25 179.56 1jcq h ILE 158 N -0.41 0.55 -0.77 0.00 1.08 -0.96 -2.12 117.51 114.88 1jcq h ILE 158 Ca -0.01 0.00 0.05 0.00 -0.39 0.00 0.00 64.86 64.52 1jcq h ILE 158 Cb 0.37 0.55 -0.05 0.00 -3.07 0.00 0.00 36.82 34.63 1jcq h ILE 158 CO 0.01 0.00 0.50 0.40 -0.69 0.00 0.00 178.15 178.37 1jcq h ILE 159 N -0.27 1.06 -0.89 -0.67 2.04 -1.22 -1.38 117.51 116.19 1jcq h ILE 159 Ca 0.07 -0.30 0.02 0.00 1.00 0.00 0.00 64.86 65.65 1jcq h ILE 159 Cb 0.37 0.13 -0.05 0.00 -0.74 0.00 0.00 36.82 36.53 1jcq h ILE 159 CO -0.21 0.16 0.59 -0.33 0.00 0.00 0.00 178.15 178.35 1jcq h GLU 160 N 0.86 1.15 -0.14 2.37 4.39 -1.03 -1.22 114.58 120.95 1jcq h GLU 160 Ca 0.32 -0.07 -0.13 0.00 0.34 0.00 0.00 59.36 59.82 1jcq h GLU 160 Cb 0.17 -0.26 0.00 0.00 -0.10 0.00 0.00 28.75 28.57 1jcq h GLU 160 CO -0.10 0.76 -0.43 0.93 -1.16 0.00 0.00 179.01 179.00 1jcq h GLU 161 N 1.18 0.54 -2.60 2.33 5.08 -0.97 -3.40 114.58 116.74 1jcq h GLU 161 Ca 0.33 -0.39 -0.59 0.00 -1.00 0.00 0.00 59.36 57.70 1jcq h GLU 161 Cb -0.10 0.07 -0.39 0.00 0.50 0.00 0.00 28.75 28.83 1jcq h GLU 161 CO -0.08 1.01 -0.86 1.14 -1.00 0.00 0.00 179.01 179.22 1jcq s GLN 162 N -3.86 1.06 0.00 2.33 -2.07 -0.72 -4.97 119.66 111.43 1jcq s GLN 162 Ca -0.13 -2.05 0.22 0.00 -1.82 0.00 0.00 55.36 51.58 1jcq s GLN 162 Cb 0.06 -1.77 1.02 0.00 -1.09 0.00 0.00 33.01 31.23 1jcq s GLN 162 CO 0.82 -1.30 1.72 -0.35 -1.32 0.00 0.00 175.29 174.86 1jcq n PRO 163 N 3.14 0.13 -3.09 9.60 -0.04 -0.48 -4.10 135.00 140.16 1jcq n PRO 163 Ca 0.21 0.10 -0.41 0.00 -0.04 0.00 0.00 63.50 63.36 1jcq n PRO 163 Cb 0.42 -1.50 -0.00 0.00 -0.04 0.00 0.00 33.50 32.37 1jcq n PRO 163 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 1jcq n LYS 164 N -1.41 4.16 -3.71 0.54 5.02 -1.26 -4.82 118.16 116.68 1jcq n LYS 164 Ca 0.07 -4.56 -0.12 0.00 -2.02 0.00 0.00 58.31 51.68 1jcq n LYS 164 Cb 0.23 -2.49 -0.10 0.00 -0.02 0.00 0.00 35.03 32.65 1jcq n LYS 164 CO 0.00 0.00 0.00 1.21 -0.52 0.00 0.00 177.40 178.09 1jcq s ASN 165 N -1.56 -0.50 0.06 4.39 3.84 -1.26 -5.06 114.94 114.85 1jcq s ASN 165 Ca 0.32 0.92 -0.15 0.00 0.21 0.00 0.00 52.86 54.16 1jcq s ASN 165 Cb 0.04 0.88 -0.28 0.00 -0.55 0.00 0.00 41.25 41.34 1jcq s ASN 165 CO 0.07 -0.17 1.12 1.88 -2.79 0.00 0.00 177.10 177.21 1jcq h TYR 166 N 6.05 1.02 -0.41 0.43 -1.99 -1.94 -3.34 116.97 116.79 1jcq h TYR 166 Ca -0.30 -0.63 -0.02 0.00 2.00 0.00 0.00 58.73 59.78 1jcq h TYR 166 Cb 1.18 -0.09 -0.02 0.00 2.00 0.00 0.00 36.73 39.81 1jcq h TYR 166 CO 0.34 1.47 0.20 1.96 -0.00 0.00 0.00 178.16 182.12 1jcq h GLN 167 N 0.30 0.60 -0.46 4.88 7.50 -1.93 -2.67 115.11 123.32 1jcq h GLN 167 Ca -0.18 -0.09 -0.02 0.00 0.50 0.00 0.00 58.65 58.86 1jcq h GLN 167 Cb 1.89 -0.11 -0.02 0.00 0.05 0.00 0.00 27.48 29.29 1jcq h GLN 167 CO 0.24 0.52 0.23 -0.39 -1.50 0.00 0.00 178.83 177.92 1jcq h VAL 168 N 0.53 1.18 -0.24 -0.54 -1.51 -1.82 -0.74 116.25 113.11 1jcq h VAL 168 Ca 0.14 -0.51 -0.08 0.00 -1.23 0.00 0.00 66.70 65.03 1jcq h VAL 168 Cb 0.12 0.67 -0.01 0.00 -2.13 0.00 0.00 31.29 29.94 1jcq h VAL 168 CO -0.02 0.20 -0.18 -0.50 -1.23 0.00 0.00 177.57 175.84 1jcq h TRP 169 N 0.60 0.45 -0.37 5.19 4.06 -1.68 -1.82 115.95 122.40 1jcq h TRP 169 Ca 0.16 -0.08 -0.16 0.00 2.06 0.00 0.00 58.89 60.87 1jcq h TRP 169 Cb 0.11 -0.12 -0.00 0.00 -1.00 0.00 0.00 29.16 28.14 1jcq h TRP 169 CO -0.01 0.58 -0.40 1.25 -3.56 0.00 0.00 178.44 176.30 1jcq h HIS 170 N 0.38 1.11 -0.73 0.49 2.76 -1.10 -1.75 115.15 116.31 1jcq h HIS 170 Ca 0.07 -0.34 -0.02 0.00 -2.20 0.00 0.00 60.37 57.88 1jcq h HIS 170 Cb 0.54 -0.23 -0.03 0.00 1.55 0.00 0.00 27.41 29.24 1jcq h HIS 170 CO 0.02 1.17 0.39 1.25 -1.30 0.00 0.00 177.93 179.45 1jcq h HIS 171 N 0.73 1.01 -0.39 5.26 -0.00 -0.81 -0.27 115.15 120.68 1jcq h HIS 171 Ca 0.05 -0.03 -0.09 0.00 -0.00 0.00 0.00 60.37 60.31 1jcq h HIS 171 Cb 1.00 -0.32 -0.01 0.00 -0.00 0.00 0.00 27.41 28.08 1jcq h HIS 171 CO 0.07 0.71 -0.11 -0.09 -0.00 0.00 0.00 177.93 178.51 1jcq h ARG 172 N 1.03 0.76 -0.61 5.26 2.43 -1.17 -1.95 114.38 120.14 1jcq h ARG 172 Ca 0.26 -0.30 0.00 0.00 -0.81 0.00 0.00 59.98 59.13 1jcq h ARG 172 Cb 0.05 -0.04 -0.03 0.00 -0.42 0.00 0.00 29.97 29.53 1jcq h ARG 172 CO -0.04 0.91 0.39 -0.09 -1.51 0.00 0.00 179.97 179.62 1jcq h ARG 173 N 0.57 0.81 -0.92 0.20 2.43 -0.78 -0.52 114.38 116.17 1jcq h ARG 173 Ca 0.10 -0.06 0.02 0.00 -0.81 0.00 0.00 59.98 59.22 1jcq h ARG 173 Cb 0.63 -0.18 -0.05 0.00 -0.42 0.00 0.00 29.97 29.96 1jcq h ARG 173 CO 0.04 0.56 0.60 0.28 -1.51 0.00 0.00 179.97 179.94 1jcq h VAL 174 N 0.82 1.22 -0.04 0.20 2.07 -0.88 -0.48 116.25 119.15 1jcq h VAL 174 Ca 0.22 -0.42 -0.00 0.00 0.82 0.00 0.00 66.70 67.32 1jcq h VAL 174 Cb -0.07 -0.11 -0.00 0.00 -1.52 0.00 0.00 31.29 29.59 1jcq h VAL 174 CO -0.05 0.22 0.02 -0.07 0.02 0.00 0.00 177.57 177.71 1jcq h LEU 175 N 1.22 0.06 -1.20 2.57 3.38 -0.75 -0.60 115.31 119.99 1jcq h LEU 175 Ca 0.34 -0.15 0.03 0.00 0.09 0.00 0.00 57.88 58.19 1jcq h LEU 175 Cb -0.11 -0.01 -0.05 0.00 0.09 0.00 0.00 40.66 40.58 1jcq h LEU 175 CO -0.08 0.19 0.55 0.58 0.09 0.00 0.00 178.44 179.77 1jcq h VAL 176 N -0.08 1.16 -0.33 1.22 2.07 -0.79 0.41 116.25 119.91 1jcq h VAL 176 Ca 0.01 -0.37 -0.08 0.00 0.82 0.00 0.00 66.70 67.09 1jcq h VAL 176 Cb 0.15 0.00 -0.01 0.00 -1.52 0.00 0.00 31.29 29.91 1jcq h VAL 176 CO -0.00 0.19 -0.09 -0.33 0.02 0.00 0.00 177.57 177.36 1jcq h GLU 177 N 1.07 0.64 -0.70 1.57 5.08 -0.80 0.51 114.58 121.95 1jcq h GLU 177 Ca 0.32 -0.25 -0.01 0.00 -1.00 0.00 0.00 59.36 58.42 1jcq h GLU 177 Cb -0.03 -0.03 -0.03 0.00 0.50 0.00 0.00 28.75 29.16 1jcq h GLU 177 CO -0.09 0.82 0.41 -1.49 -1.00 0.00 0.00 179.01 177.67 1jcq h TRP 178 N 0.42 0.94 0.00 4.33 6.55 -0.50 -2.50 115.95 125.19 1jcq h TRP 178 Ca 0.08 -0.01 0.00 0.00 0.95 0.00 0.00 58.89 59.91 1jcq h TRP 178 Cb 0.59 -0.31 0.00 0.00 -0.86 0.00 0.00 29.16 28.59 1jcq h TRP 178 CO 0.05 0.64 -0.39 -0.07 -1.05 0.00 0.00 178.44 177.62 1jcq h LEU 179 N 0.96 0.00 2.15 -4.49 3.38 -0.82 -3.47 115.31 113.02 1jcq h LEU 179 Ca 0.25 -0.09 -0.22 0.00 0.09 0.00 0.00 57.88 57.91 1jcq h LEU 179 Cb -0.01 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 40.71 1jcq h LEU 179 CO -0.05 0.05 -0.26 0.54 0.09 0.00 0.00 178.44 178.81 1jcq n ARG 180 N -2.36 -2.06 -3.94 1.13 5.12 0.18 -4.90 116.66 109.83 1jcq n ARG 180 Ca 0.04 0.56 -0.34 0.00 -1.93 0.00 0.00 57.85 56.18 1jcq n ARG 180 Cb 0.46 -5.05 -0.14 0.00 -1.16 0.00 0.00 32.46 26.57 1jcq n ARG 180 CO 0.00 0.00 0.00 0.34 -1.93 0.00 0.00 177.63 176.04 1jcq s ASP 181 N -2.00 4.85 0.00 0.55 2.15 -1.14 -4.97 116.67 116.11 1jcq s ASP 181 Ca 0.00 -1.66 0.24 0.00 0.43 0.00 0.00 52.55 51.56 1jcq s ASP 181 Cb 0.00 -1.69 0.25 0.00 -0.30 0.00 0.00 42.92 41.18 1jcq s ASP 181 CO 0.00 -0.33 1.29 -0.81 -0.17 0.00 0.00 175.17 175.15 1jcq n PRO 182 N 4.49 2.37 -0.44 4.34 -0.04 -1.26 -4.68 135.00 139.77 1jcq n PRO 182 Ca -0.07 -2.02 0.39 0.00 -0.04 0.00 0.00 63.50 61.77 1jcq n PRO 182 Cb 0.42 -1.47 0.74 0.00 -0.04 0.00 0.00 33.50 33.15 1jcq n PRO 182 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 1jcq h SER 183 N 4.65 0.07 0.37 3.54 4.64 -2.00 -1.56 113.55 123.26 1jcq h SER 183 Ca 0.00 0.02 0.00 0.00 -0.47 0.00 0.00 61.79 61.34 1jcq h SER 183 Cb 1.00 0.02 0.00 0.00 -0.31 0.00 0.00 62.40 63.10 1jcq h SER 183 CO 0.00 -0.01 -1.21 0.00 -0.87 0.00 0.00 176.83 174.74 1jcq n GLN 184 N -4.21 0.37 0.20 4.77 6.02 -1.26 -4.71 117.38 118.56 1jcq n GLN 184 Ca 0.32 -0.03 -0.17 0.00 -0.01 0.00 0.00 57.00 57.11 1jcq n GLN 184 Cb 1.45 -1.60 -0.10 0.00 1.02 0.00 0.00 30.24 31.02 1jcq n GLN 184 CO 0.00 0.00 0.00 0.93 -1.01 0.00 0.00 177.06 176.98 1jcq h GLU 185 N 0.00 -0.84 -0.34 -1.09 4.39 -1.62 -1.72 114.58 113.36 1jcq h GLU 185 Ca 0.00 0.06 0.05 0.00 0.34 0.00 0.00 59.36 59.81 1jcq h GLU 185 Cb 0.79 0.19 -0.02 0.00 -0.10 0.00 0.00 28.75 29.62 1jcq h GLU 185 CO 0.00 -0.56 0.23 -0.07 -1.16 0.00 0.00 179.01 177.45 1jcq h LEU 186 N -0.87 0.22 0.00 1.33 3.38 -1.84 0.32 115.31 117.85 1jcq h LEU 186 Ca -0.03 -0.00 -0.09 0.00 0.09 0.00 0.00 57.88 57.85 1jcq h LEU 186 Cb 0.81 -0.05 0.01 0.00 0.09 0.00 0.00 40.66 41.52 1jcq h LEU 186 CO -0.17 0.15 -0.36 -0.08 0.09 0.00 0.00 178.44 178.06 1jcq h GLU 187 N 0.25 0.24 -0.17 1.13 4.81 -1.84 -1.36 114.58 117.65 1jcq h GLU 187 Ca 0.15 -0.26 0.00 0.00 -0.13 0.00 0.00 59.36 59.11 1jcq h GLU 187 Cb 0.27 0.08 -0.01 0.00 0.63 0.00 0.00 28.75 29.71 1jcq h GLU 187 CO -0.03 0.98 0.11 0.35 -0.73 0.00 0.00 179.01 179.69 1jcq h PHE 188 N -0.39 0.21 -0.41 0.92 3.57 -0.86 -1.33 116.94 118.65 1jcq h PHE 188 Ca -0.05 0.01 -0.01 0.00 3.53 0.00 0.00 57.97 61.45 1jcq h PHE 188 Cb 1.11 -0.07 -0.02 0.00 2.79 0.00 0.00 35.95 39.76 1jcq h PHE 188 CO 0.17 0.13 0.21 0.82 -2.23 0.00 0.00 178.31 177.41 1jcq h ILE 189 N 0.22 1.16 -0.57 1.41 2.04 -1.03 -1.74 117.51 119.01 1jcq h ILE 189 Ca 0.06 -0.44 0.12 0.00 1.00 0.00 0.00 64.86 65.60 1jcq h ILE 189 Cb -0.02 0.71 -0.03 0.00 -0.74 0.00 0.00 36.82 36.73 1jcq h ILE 189 CO -0.01 0.17 0.39 0.00 0.00 0.00 0.00 178.15 178.70 1jcq h ALA 190 N 1.06 2.20 -0.09 1.87 0.00 -0.90 0.36 119.26 123.76 1jcq h ALA 190 Ca 0.14 -0.01 -0.11 0.00 0.00 0.00 0.00 54.91 54.93 1jcq h ALA 190 Cb 0.09 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.85 1jcq h ALA 190 CO -0.02 -0.34 -0.38 0.22 0.00 0.00 0.00 179.25 178.73 1jcq h ASP 191 N 0.24 0.49 -0.27 0.00 3.58 -0.42 -0.69 116.42 119.35 1jcq h ASP 191 Ca 0.27 -0.63 -0.00 0.00 0.42 0.00 0.00 57.03 57.08 1jcq h ASP 191 Cb 0.73 -0.14 -0.01 0.00 1.72 0.00 0.00 39.33 41.62 1jcq h ASP 191 CO -0.05 1.04 0.16 0.40 -2.88 0.00 0.00 179.24 177.90 1jcq h ILE 192 N -0.04 1.11 0.00 2.25 1.08 -0.48 -0.09 117.51 121.34 1jcq h ILE 192 Ca -0.02 -0.28 0.00 0.00 -0.39 0.00 0.00 64.86 64.17 1jcq h ILE 192 Cb 1.02 0.81 0.00 0.00 -3.07 0.00 0.00 36.82 35.58 1jcq h ILE 192 CO 0.08 0.11 0.00 -0.07 -0.69 0.00 0.00 178.15 177.58 1jcq h LEU 193 N 0.33 0.00 -0.69 1.44 3.38 -0.32 0.25 115.31 119.70 1jcq h LEU 193 Ca 0.10 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 58.03 1jcq h LEU 193 Cb 0.04 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.78 1jcq h LEU 193 CO -0.02 0.00 -0.19 -1.13 0.09 0.00 0.00 178.44 177.19 1jcq h ASN 194 N 0.00 0.00 0.35 -0.43 -1.24 0.59 -1.63 115.58 113.23 1jcq h ASN 194 Ca 0.00 0.00 -0.30 0.00 0.71 0.00 0.00 56.30 56.71 1jcq h ASN 194 Cb 0.17 0.00 -0.05 0.00 0.73 0.00 0.00 38.32 39.17 1jcq h ASN 194 CO 0.00 0.19 -1.89 0.00 -1.29 0.00 0.00 177.43 174.44 1jcq n GLN 195 N -3.24 0.65 -3.37 6.67 6.02 0.78 -4.74 117.38 120.15 1jcq n GLN 195 Ca 0.01 0.19 -0.17 0.00 -0.01 0.00 0.00 57.00 57.03 1jcq n GLN 195 Cb 0.49 -1.71 -0.08 0.00 1.02 0.00 0.00 30.24 29.96 1jcq n GLN 195 CO 0.00 0.00 0.00 0.34 -1.01 0.00 0.00 177.06 176.39 1jcq s ASP 196 N -5.86 1.34 0.00 1.08 3.68 -0.62 -5.01 116.67 111.27 1jcq s ASP 196 Ca -0.06 -1.36 0.00 0.00 2.13 0.00 0.00 52.55 53.26 1jcq s ASP 196 Cb 0.08 0.53 0.00 0.00 -1.45 0.00 0.00 42.92 42.07 1jcq s ASP 196 CO 0.83 -0.30 0.55 0.00 0.13 0.00 0.00 175.17 176.38 1jcq n ALA 197 N 4.54 1.33 -0.36 3.66 0.00 -0.62 -1.98 120.51 127.07 1jcq n ALA 197 Ca 0.07 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.51 1jcq n ALA 197 Cb 0.45 -0.94 0.00 0.00 0.00 0.00 0.00 19.45 18.96 1jcq n ALA 197 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1jcq n LYS 198 N -1.05 1.68 -1.53 0.00 5.02 -1.26 -4.81 118.16 116.20 1jcq n LYS 198 Ca 0.00 -1.06 -0.50 0.00 -2.02 0.00 0.00 58.31 54.73 1jcq n LYS 198 Cb 0.01 -0.82 -0.06 0.00 -0.02 0.00 0.00 35.03 34.13 1jcq n LYS 198 CO 0.00 0.00 0.00 -1.71 -0.52 0.00 0.00 177.40 175.17 1jcq n ASN 199 N -0.29 2.50 0.01 4.39 2.85 -0.84 -4.84 115.26 119.05 1jcq n ASN 199 Ca 0.00 0.55 -0.10 0.00 -0.11 0.00 0.00 54.58 54.93 1jcq n ASN 199 Cb 0.32 -1.30 -0.03 0.00 1.24 0.00 0.00 39.78 40.01 1jcq n ASN 199 CO 0.00 0.00 0.00 0.22 -2.11 0.00 0.00 177.26 175.37 1jcq h TYR 200 N 11.60 -0.56 -0.93 1.20 3.20 -1.94 -2.11 116.97 127.43 1jcq h TYR 200 Ca -0.34 0.03 0.05 0.00 3.14 0.00 0.00 58.73 61.60 1jcq h TYR 200 Cb 1.30 0.26 -0.06 0.00 1.54 0.00 0.00 36.73 39.78 1jcq h TYR 200 CO 0.92 -0.29 0.61 0.45 -1.64 0.00 0.00 178.16 178.21 1jcq h HIS 201 N -0.28 1.11 0.36 -3.82 3.86 -1.88 -0.21 115.15 114.28 1jcq h HIS 201 Ca 0.09 0.03 -0.01 0.00 -1.16 0.00 0.00 60.37 59.31 1jcq h HIS 201 Cb 0.41 -0.37 -0.00 0.00 1.06 0.00 0.00 27.41 28.52 1jcq h HIS 201 CO -0.30 0.61 -0.20 0.00 0.86 0.00 0.00 177.93 178.90 1jcq h ALA 202 N 1.48 -0.52 -0.88 2.45 0.00 -1.77 0.47 119.26 120.50 1jcq h ALA 202 Ca 0.38 -0.11 -0.02 0.00 0.00 0.00 0.00 54.91 55.16 1jcq h ALA 202 Cb 0.09 0.23 -0.04 0.00 0.00 0.00 0.00 17.79 18.07 1jcq h ALA 202 CO -0.13 -0.80 0.46 -1.49 0.00 0.00 0.00 179.25 177.29 1jcq h TRP 203 N -0.52 1.23 -0.16 0.00 4.06 -0.97 -0.27 115.95 119.32 1jcq h TRP 203 Ca -0.04 -0.04 -0.01 0.00 2.06 0.00 0.00 58.89 60.85 1jcq h TRP 203 Cb 0.42 -0.39 -0.01 0.00 -1.00 0.00 0.00 29.16 28.18 1jcq h TRP 203 CO -0.07 0.86 0.05 0.37 -3.56 0.00 0.00 178.44 176.09 1jcq h GLN 204 N 1.24 0.25 -0.86 0.49 4.15 -0.85 -0.24 115.11 119.29 1jcq h GLN 204 Ca 0.31 -0.05 -0.01 0.00 0.77 0.00 0.00 58.65 59.67 1jcq h GLN 204 Cb 0.06 -0.04 -0.04 0.00 0.21 0.00 0.00 27.48 27.67 1jcq h GLN 204 CO -0.05 0.36 0.51 1.25 -1.93 0.00 0.00 178.83 178.97 1jcq h HIS 205 N 0.09 1.13 -0.14 3.99 2.76 -0.67 -1.70 115.15 120.61 1jcq h HIS 205 Ca 0.05 -0.00 -0.00 0.00 -2.20 0.00 0.00 60.37 58.22 1jcq h HIS 205 Cb 0.21 -0.37 -0.01 0.00 1.55 0.00 0.00 27.41 28.79 1jcq h HIS 205 CO -0.00 0.75 0.07 -0.09 -1.30 0.00 0.00 177.93 177.36 1jcq h ARG 206 N 1.18 0.20 -0.87 5.26 2.43 -0.69 -0.94 114.38 120.96 1jcq h ARG 206 Ca 0.31 -0.03 0.01 0.00 -0.81 0.00 0.00 59.98 59.46 1jcq h ARG 206 Cb -0.04 -0.04 -0.04 0.00 -0.42 0.00 0.00 29.97 29.43 1jcq h ARG 206 CO -0.06 0.24 0.57 1.96 -1.51 0.00 0.00 179.97 181.17 1jcq h GLN 207 N 0.11 1.14 0.37 0.20 4.20 -0.72 -1.62 115.11 118.78 1jcq h GLN 207 Ca 0.05 -0.07 -0.02 0.00 0.06 0.00 0.00 58.65 58.67 1jcq h GLN 207 Cb 0.10 -0.26 0.00 0.00 0.30 0.00 0.00 27.48 27.63 1jcq h GLN 207 CO -0.01 0.76 -0.18 2.35 -0.67 0.00 0.00 178.83 181.09 1jcq h TRP 208 N 1.18 -0.46 -0.70 2.96 7.01 -0.93 -1.14 115.95 123.87 1jcq h TRP 208 Ca 0.32 -0.01 -0.00 0.00 2.11 0.00 0.00 58.89 61.30 1jcq h TRP 208 Cb -0.13 0.15 -0.03 0.00 -2.10 0.00 0.00 29.16 27.04 1jcq h TRP 208 CO 0.00 -0.24 0.43 -0.24 -2.79 0.00 0.00 178.44 175.60 1jcq h VAL 209 N -0.57 1.20 -0.32 2.65 3.04 -0.96 0.18 116.25 121.47 1jcq h VAL 209 Ca -0.05 -0.42 -0.01 0.00 -1.01 0.00 0.00 66.70 65.21 1jcq h VAL 209 Cb 0.43 0.22 -0.02 0.00 -2.01 0.00 0.00 31.29 29.91 1jcq h VAL 209 CO 0.08 0.20 0.18 0.40 -1.01 0.00 0.00 177.57 177.42 1jcq h ILE 210 N 0.95 1.13 0.17 3.17 2.04 -1.26 0.08 117.51 123.80 1jcq h ILE 210 Ca 0.25 -0.35 -0.01 0.00 1.00 0.00 0.00 64.86 65.76 1jcq h ILE 210 Cb -0.04 0.77 0.00 0.00 -0.74 0.00 0.00 36.82 36.81 1jcq h ILE 210 CO -0.05 0.13 -0.08 -0.61 0.00 0.00 0.00 178.15 177.54 1jcq h GLN 211 N 0.40 -0.22 -0.58 2.37 5.75 -0.97 0.65 115.11 122.51 1jcq h GLN 211 Ca 0.11 0.02 -0.03 0.00 -0.15 0.00 0.00 58.65 58.60 1jcq h GLN 211 Cb 0.06 0.05 -0.03 0.00 1.07 0.00 0.00 27.48 28.63 1jcq h GLN 211 CO -0.02 0.07 0.23 1.49 -2.65 0.00 0.00 178.83 177.95 1jcq h GLU 212 N -0.51 0.84 -0.30 1.69 4.57 -0.55 -3.07 114.58 117.25 1jcq h GLU 212 Ca -0.02 -0.13 0.00 0.00 -1.18 0.00 0.00 59.36 58.02 1jcq h GLU 212 Cb 0.39 -0.15 0.00 0.00 -0.16 0.00 0.00 28.75 28.84 1jcq h GLU 212 CO 0.04 0.70 0.00 1.19 -1.18 0.00 0.00 179.01 179.76 1jcq n PHE 213 N -4.32 0.91 -3.26 0.92 3.01 0.01 -4.99 117.46 109.73 1jcq n PHE 213 Ca 0.05 -0.79 -0.22 0.00 1.01 0.00 0.00 57.45 57.50 1jcq n PHE 213 Cb 0.17 -0.27 -0.00 0.00 -0.01 0.00 0.00 39.48 39.37 1jcq n PHE 213 CO 0.00 0.00 0.00 1.63 1.01 0.00 0.00 176.76 179.40 1jcq n LYS 214 N -0.22 -3.39 -1.54 -1.08 5.02 0.07 -4.87 118.16 112.15 1jcq n LYS 214 Ca 0.20 0.51 -0.33 0.00 -2.02 0.00 0.00 58.31 56.66 1jcq n LYS 214 Cb 0.82 -5.21 -0.05 0.00 -0.02 0.00 0.00 35.03 30.57 1jcq n LYS 214 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 1jcq n LEU 215 N -3.66 7.61 0.06 -0.35 4.77 -0.33 -4.57 117.00 120.52 1jcq n LEU 215 Ca -0.03 -4.33 -0.04 0.00 -0.03 0.00 0.00 56.01 51.58 1jcq n LEU 215 Cb 0.55 -1.41 -0.09 0.00 -2.33 0.00 0.00 43.42 40.14 1jcq n LEU 215 CO 0.48 1.96 0.03 -0.50 -1.33 0.00 0.00 177.39 178.03 1jcq h TRP 216 N 4.23 0.00 -1.00 -1.77 4.06 -1.90 -3.41 115.95 116.16 1jcq h TRP 216 Ca 0.63 0.00 0.36 0.00 2.06 0.00 0.00 58.89 61.94 1jcq h TRP 216 Cb 0.55 0.00 -0.18 0.00 -1.00 0.00 0.00 29.16 28.53 1jcq h TRP 216 CO 1.71 0.83 0.32 -0.44 -3.56 0.00 0.00 178.44 177.30 1jcq h ASP 217 N 0.00 -0.02 -0.09 -3.49 3.45 -1.99 -2.77 116.42 111.51 1jcq h ASP 217 Ca -0.08 0.27 0.00 0.00 0.43 0.00 0.00 57.03 57.64 1jcq h ASP 217 Cb 1.71 0.36 0.00 0.00 -0.56 0.00 0.00 39.33 40.84 1jcq h ASP 217 CO 0.09 -0.40 0.00 0.59 -1.57 0.00 0.00 179.24 177.95 1jcq n ASN 218 N -5.36 1.98 0.16 6.45 3.02 -1.26 -4.72 115.26 115.53 1jcq n ASN 218 Ca 0.32 -1.57 0.02 0.00 -0.03 0.00 0.00 54.58 53.32 1jcq n ASN 218 Cb 1.06 -0.06 0.38 0.00 -0.61 0.00 0.00 39.78 40.56 1jcq n ASN 218 CO 0.00 0.00 0.00 -0.08 -2.62 0.00 0.00 177.26 174.56 1jcq h GLU 219 N 1.32 0.09 0.00 3.52 4.57 -1.73 -2.64 114.58 119.71 1jcq h GLU 219 Ca 0.00 -0.03 -0.10 0.00 -1.18 0.00 0.00 59.36 58.06 1jcq h GLU 219 Cb 0.43 -0.01 -0.01 0.00 -0.16 0.00 0.00 28.75 29.00 1jcq h GLU 219 CO 0.00 0.36 -0.46 1.25 -1.18 0.00 0.00 179.01 178.99 1jcq h LEU 220 N 0.09 0.00 -0.27 1.64 5.85 -1.85 -0.62 115.31 120.16 1jcq h LEU 220 Ca 0.01 0.00 -0.21 0.00 0.84 0.00 0.00 57.88 58.53 1jcq h LEU 220 Cb 0.53 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.56 1jcq h LEU 220 CO 0.04 0.46 -0.77 1.56 -0.34 0.00 0.00 178.44 179.39 1jcq h GLN 221 N 0.00 0.61 -0.58 1.25 4.20 -1.83 -1.69 115.11 117.07 1jcq h GLN 221 Ca -0.00 -0.50 -0.01 0.00 0.06 0.00 0.00 58.65 58.19 1jcq h GLN 221 Cb 1.00 0.11 -0.03 0.00 0.30 0.00 0.00 27.48 28.86 1jcq h GLN 221 CO 0.06 1.12 0.31 -0.92 -0.67 0.00 0.00 178.83 178.73 1jcq h TYR 222 N 0.41 0.80 0.25 2.96 3.20 -1.12 -0.54 116.97 122.93 1jcq h TYR 222 Ca -0.05 -0.02 -0.01 0.00 3.14 0.00 0.00 58.73 61.79 1jcq h TYR 222 Cb 1.37 -0.25 0.00 0.00 1.54 0.00 0.00 36.73 39.39 1jcq h TYR 222 CO 0.07 0.59 -0.12 0.28 -1.64 0.00 0.00 178.16 177.34 1jcq h VAL 223 N 0.78 0.76 -0.99 1.81 2.07 -1.00 -1.93 116.25 117.75 1jcq h VAL 223 Ca 0.20 -0.00 0.09 0.00 0.82 0.00 0.00 66.70 67.80 1jcq h VAL 223 Cb 0.06 0.76 -0.07 0.00 -1.52 0.00 0.00 31.29 30.52 1jcq h VAL 223 CO -0.03 0.00 0.63 0.44 0.02 0.00 0.00 177.57 178.63 1jcq h ASP 224 N -0.34 0.97 -0.09 0.57 3.32 -1.04 0.12 116.42 119.93 1jcq h ASP 224 Ca -0.03 0.02 -0.01 0.00 0.02 0.00 0.00 57.03 57.03 1jcq h ASP 224 Cb 0.26 -0.18 -0.00 0.00 0.22 0.00 0.00 39.33 39.62 1jcq h ASP 224 CO 0.06 0.58 0.02 -0.61 -1.72 0.00 0.00 179.24 177.57 1jcq h GLN 225 N 1.08 0.15 -0.02 3.56 5.75 -0.93 -1.77 115.11 122.94 1jcq h GLN 225 Ca 0.45 -0.04 -0.06 0.00 -0.15 0.00 0.00 58.65 58.85 1jcq h GLN 225 Cb 0.30 -0.02 -0.01 0.00 1.07 0.00 0.00 27.48 28.82 1jcq h GLN 225 CO -0.20 0.35 -0.28 -0.07 -2.65 0.00 0.00 178.83 175.98 1jcq h LEU 226 N -0.08 0.03 -0.85 -2.39 3.38 -0.60 -1.46 115.31 113.34 1jcq h LEU 226 Ca 0.03 -0.01 -0.09 0.00 0.09 0.00 0.00 57.88 57.90 1jcq h LEU 226 Cb 0.28 -0.01 -0.01 0.00 0.09 0.00 0.00 40.66 41.01 1jcq h LEU 226 CO 0.00 0.31 -0.41 -0.07 0.09 0.00 0.00 178.44 178.37 1jcq h LEU 227 N 0.03 0.00 -0.23 1.67 3.38 -0.67 -0.18 115.31 119.31 1jcq h LEU 227 Ca 0.00 0.00 -0.13 0.00 0.09 0.00 0.00 57.88 57.84 1jcq h LEU 227 Cb 0.51 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.26 1jcq h LEU 227 CO 0.04 0.41 -0.37 0.50 0.09 0.00 0.00 178.44 179.11 1jcq h LYS 228 N 0.00 0.65 -0.51 1.13 3.11 -0.39 -1.56 116.57 119.00 1jcq h LYS 228 Ca -0.00 -0.39 -0.09 0.00 -2.81 0.00 0.00 60.65 57.35 1jcq h LYS 228 Cb 0.96 0.04 -0.02 0.00 -1.00 0.00 0.00 32.23 32.21 1jcq h LYS 228 CO 0.05 1.01 -0.02 0.93 -2.81 0.00 0.00 179.45 178.61 1jcq h GLU 229 N 0.35 0.92 -1.49 1.90 5.08 -1.04 -3.41 114.58 116.89 1jcq h GLU 229 Ca 0.02 -0.30 -0.14 0.00 -1.00 0.00 0.00 59.36 57.94 1jcq h GLU 229 Cb 0.96 -0.08 -0.26 0.00 0.50 0.00 0.00 28.75 29.87 1jcq h GLU 229 CO 0.08 0.95 -0.50 0.34 -1.00 0.00 0.00 179.01 178.88 1jcq s ASP 230 N -6.43 -0.22 0.00 1.42 -1.08 -0.10 -5.00 116.67 105.26 1jcq s ASP 230 Ca -0.12 -0.37 0.13 0.00 -0.52 0.00 0.00 52.55 51.67 1jcq s ASP 230 Cb 0.12 1.37 0.60 0.00 -1.46 0.00 0.00 42.92 43.55 1jcq s ASP 230 CO 0.83 -0.32 1.37 0.55 0.52 0.00 0.00 175.17 178.12 1jcq n VAL 231 N 5.21 0.89 0.79 1.11 3.14 -0.59 -1.31 118.33 127.56 1jcq n VAL 231 Ca 0.03 0.22 0.12 0.00 -2.96 0.00 0.00 64.34 61.75 1jcq n VAL 231 Cb 0.51 -1.01 0.26 0.00 -1.06 0.00 0.00 33.84 32.55 1jcq n VAL 231 CO 0.00 0.00 0.00 0.54 -6.46 0.00 0.00 176.83 170.91 1jcq n ARG 232 N -1.39 2.19 -2.43 1.45 1.74 -1.26 -4.72 116.66 112.24 1jcq n ARG 232 Ca 0.05 -1.78 -0.40 0.00 -0.77 0.00 0.00 57.85 54.94 1jcq n ARG 232 Cb 0.12 -1.47 -0.03 0.00 -1.02 0.00 0.00 32.46 30.07 1jcq n ARG 232 CO 0.00 0.00 0.00 1.21 -1.52 0.00 0.00 177.63 177.32 1jcq s ASN 233 N -1.64 5.97 0.48 0.55 3.84 -0.43 -4.84 114.94 118.88 1jcq s ASN 233 Ca 0.35 -0.35 0.15 0.00 0.21 0.00 0.00 52.86 53.22 1jcq s ASN 233 Cb 0.21 -2.55 1.14 0.00 -0.55 0.00 0.00 41.25 39.49 1jcq s ASN 233 CO 0.30 -1.96 2.07 -1.13 -2.79 0.00 0.00 177.10 173.59 1jcq h ASN 234 N 11.12 0.00 0.01 -4.21 -1.24 -1.89 -0.67 115.58 118.71 1jcq h ASN 234 Ca -0.24 0.00 -0.06 0.00 0.71 0.00 0.00 56.30 56.72 1jcq h ASN 234 Cb 1.07 0.00 -0.01 0.00 0.73 0.00 0.00 38.32 40.11 1jcq h ASN 234 CO 1.28 0.09 -0.15 0.28 -1.29 0.00 0.00 177.43 177.64 1jcq h SER 235 N 0.00 0.26 -0.07 1.15 0.02 -1.89 -1.36 113.55 111.66 1jcq h SER 235 Ca -0.00 -0.06 -0.18 0.00 -0.84 0.00 0.00 61.79 60.71 1jcq h SER 235 Cb 0.17 -0.07 0.01 0.00 0.14 0.00 0.00 62.40 62.65 1jcq h SER 235 CO 0.01 0.43 -0.66 0.58 -1.14 0.00 0.00 176.83 176.05 1jcq h VAL 236 N 0.26 1.35 -0.18 2.27 2.07 -1.45 -1.38 116.25 119.20 1jcq h VAL 236 Ca 0.05 -1.98 -0.02 0.00 0.82 0.00 0.00 66.70 65.56 1jcq h VAL 236 Cb 0.42 2.29 -0.01 0.00 -1.52 0.00 0.00 31.29 32.46 1jcq h VAL 236 CO 0.03 0.60 -0.00 -0.50 0.02 0.00 0.00 177.57 177.71 1jcq h TRP 237 N 0.18 0.25 -0.27 1.57 4.06 -1.31 -0.09 115.95 120.34 1jcq h TRP 237 Ca -0.06 -0.01 -0.08 0.00 2.06 0.00 0.00 58.89 60.80 1jcq h TRP 237 Cb 1.33 -0.08 -0.01 0.00 -1.00 0.00 0.00 29.16 29.40 1jcq h TRP 237 CO 0.12 0.27 -0.14 -0.97 -3.56 0.00 0.00 178.44 174.15 1jcq h ASN 238 N 0.25 0.60 -0.54 -3.49 -1.24 -1.04 -2.44 115.58 107.68 1jcq h ASN 238 Ca 0.06 -0.42 -0.02 0.00 0.71 0.00 0.00 56.30 56.63 1jcq h ASN 238 Cb 0.18 -0.16 -0.03 0.00 0.73 0.00 0.00 38.32 39.04 1jcq h ASN 238 CO 0.00 0.88 0.27 -0.61 -1.29 0.00 0.00 177.43 176.68 1jcq h GLN 239 N 0.31 0.80 -0.32 6.67 5.75 -0.54 -0.86 115.11 126.92 1jcq h GLN 239 Ca 0.06 -0.10 0.02 0.00 -0.15 0.00 0.00 58.65 58.48 1jcq h GLN 239 Cb 0.66 -0.15 -0.03 0.00 1.07 0.00 0.00 27.48 29.03 1jcq h GLN 239 CO 0.04 0.63 0.16 -0.09 -2.65 0.00 0.00 178.83 176.93 1jcq h ARG 240 N 0.80 0.33 -0.44 1.69 2.43 -0.82 0.22 114.38 118.60 1jcq h ARG 240 Ca 0.20 -0.02 -0.02 0.00 -0.81 0.00 0.00 59.98 59.33 1jcq h ARG 240 Cb 0.10 -0.07 -0.02 0.00 -0.42 0.00 0.00 29.97 29.55 1jcq h ARG 240 CO -0.03 0.22 0.20 -0.92 -1.51 0.00 0.00 179.97 177.93 1jcq h TYR 241 N 0.34 0.64 -0.15 2.20 3.20 -0.93 -1.61 116.97 120.66 1jcq h TYR 241 Ca 0.13 -0.04 0.04 0.00 3.14 0.00 0.00 58.73 62.01 1jcq h TYR 241 Cb 0.04 -0.20 -0.04 0.00 1.54 0.00 0.00 36.73 38.08 1jcq h TYR 241 CO -0.09 0.53 -0.09 0.35 -1.64 0.00 0.00 178.16 177.21 1jcq h PHE 242 N 0.56 -0.22 0.52 -3.82 3.57 -0.48 -0.56 116.94 116.50 1jcq h PHE 242 Ca 0.15 0.02 -0.03 0.00 3.53 0.00 0.00 57.97 61.64 1jcq h PHE 242 Cb 0.14 0.12 0.01 0.00 2.79 0.00 0.00 35.95 39.00 1jcq h PHE 242 CO -0.01 -0.14 -0.25 0.28 -2.23 0.00 0.00 178.31 175.96 1jcq h VAL 243 N -0.09 0.48 -0.19 1.41 2.07 -0.38 -2.54 116.25 117.01 1jcq h VAL 243 Ca 0.09 -0.13 0.01 0.00 0.82 0.00 0.00 66.70 67.49 1jcq h VAL 243 Cb 0.22 0.54 -0.01 0.00 -1.52 0.00 0.00 31.29 30.51 1jcq h VAL 243 CO -0.20 0.02 0.11 0.40 0.02 0.00 0.00 177.57 177.92 1jcq h ILE 244 N -0.77 1.02 -0.04 4.57 2.04 -1.23 -1.35 117.51 121.75 1jcq h ILE 244 Ca -0.07 -0.08 -0.03 0.00 1.00 0.00 0.00 64.86 65.69 1jcq h ILE 244 Cb 0.57 0.78 -0.01 0.00 -0.74 0.00 0.00 36.82 37.42 1jcq h ILE 244 CO 0.12 0.04 -0.10 0.77 0.00 0.00 0.00 178.15 178.98 1jcq h SER 245 N 0.23 0.06 0.23 1.72 4.64 -1.15 0.33 113.55 119.60 1jcq h SER 245 Ca 0.07 -0.01 0.00 0.00 -0.47 0.00 0.00 61.79 61.39 1jcq h SER 245 Cb -0.01 -0.01 0.00 0.00 -0.31 0.00 0.00 62.40 62.07 1jcq h SER 245 CO -0.03 0.16 -0.20 0.59 -0.87 0.00 0.00 176.83 176.48 1jcq n ASN 246 N -4.39 0.97 0.00 4.97 4.13 -0.93 -4.02 115.26 115.99 1jcq n ASN 246 Ca -0.02 -0.90 0.00 0.00 1.68 0.00 0.00 54.58 55.34 1jcq n ASN 246 Cb 0.19 0.08 0.00 0.00 -1.54 0.00 0.00 39.78 38.52 1jcq n ASN 246 CO 0.00 0.00 0.00 0.35 0.28 0.00 0.00 177.26 177.89 1jcq n THR 247 N -0.62 0.00 0.17 3.41 -2.24 -0.55 -4.91 114.28 109.53 1jcq n THR 247 Ca 0.13 0.00 0.05 0.00 -2.27 0.00 0.00 64.05 61.97 1jcq n THR 247 Cb 0.34 -0.14 0.13 0.00 -2.10 0.00 0.00 70.33 68.56 1jcq n THR 247 CO 0.00 0.00 0.00 0.71 -0.57 0.00 0.00 175.07 175.21 1jcq h THR 248 N 0.00 0.66 -0.09 4.28 1.35 -1.76 -3.50 112.91 113.86 1jcq h THR 248 Ca 0.00 -1.81 0.01 0.00 -0.55 0.00 0.00 66.41 64.06 1jcq h THR 248 Cb 0.00 2.23 -0.00 0.00 -1.73 0.00 0.00 68.15 68.65 1jcq h THR 248 CO 0.00 0.36 -0.02 0.61 -0.25 0.00 0.00 175.52 176.22 1jcq n GLY 249 N 1.00 -1.59 0.59 5.82 0.00 0.11 -4.62 105.19 106.50 1jcq n GLY 249 Ca 0.02 -1.51 0.07 0.00 0.00 0.00 0.00 46.02 44.60 1jcq n GLY 249 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1jcq n TYR 250 N -1.75 0.10 0.17 1.61 4.02 -1.26 -4.50 117.16 115.54 1jcq n TYR 250 Ca -0.00 -0.09 0.04 0.00 -0.01 0.00 0.00 57.90 57.84 1jcq n TYR 250 Cb 0.02 -0.00 0.23 0.00 -0.02 0.00 0.00 39.34 39.57 1jcq n TYR 250 CO 0.00 0.00 0.00 -0.91 -1.01 0.00 0.00 176.86 174.94 1jcq h ASN 251 N 2.67 0.00 -2.56 7.72 2.35 -1.99 -3.40 115.58 120.38 1jcq h ASN 251 Ca 0.00 0.00 -0.55 0.00 -0.55 0.00 0.00 56.30 55.20 1jcq h ASN 251 Cb 0.61 0.00 -0.04 0.00 0.05 0.00 0.00 38.32 38.95 1jcq h ASN 251 CO 0.00 0.46 1.26 -0.62 -1.65 0.00 0.00 177.43 176.88 1jcq s ASP 252 N -6.49 5.78 0.55 5.81 3.68 -1.26 -4.86 116.67 119.88 1jcq s ASP 252 Ca 0.01 0.85 0.30 0.00 2.13 0.00 0.00 52.55 55.84 1jcq s ASP 252 Cb 0.10 -2.53 1.47 0.00 -1.45 0.00 0.00 42.92 40.51 1jcq s ASP 252 CO 0.71 -1.88 1.89 0.03 0.13 0.00 0.00 175.17 176.06 1jcq h ARG 253 N 13.07 0.00 -0.37 4.34 3.08 -1.97 0.19 114.38 132.72 1jcq h ARG 253 Ca -0.30 0.00 -0.17 0.00 0.07 0.00 0.00 59.98 59.59 1jcq h ARG 253 Cb 1.15 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 31.20 1jcq h ARG 253 CO 1.11 0.00 -0.42 0.00 -1.07 0.00 0.00 179.97 179.59 1jcq h ALA 254 N 1.53 0.55 -0.30 0.04 0.00 -1.94 -1.22 119.26 117.93 1jcq h ALA 254 Ca 0.36 -0.47 -0.05 0.00 0.00 0.00 0.00 54.91 54.76 1jcq h ALA 254 Cb 1.55 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 19.22 1jcq h ALA 254 CO -0.00 0.68 -0.00 0.28 0.00 0.00 0.00 179.25 180.20 1jcq h VAL 255 N 0.75 1.26 -0.26 0.00 2.07 -1.01 -2.11 116.25 116.96 1jcq h VAL 255 Ca 0.05 -0.95 0.02 0.00 0.82 0.00 0.00 66.70 66.64 1jcq h VAL 255 Cb 1.02 1.29 -0.02 0.00 -1.52 0.00 0.00 31.29 32.06 1jcq h VAL 255 CO 0.10 0.31 0.11 0.25 0.02 0.00 0.00 177.57 178.36 1jcq h LEU 256 N 0.32 0.16 -0.57 2.57 5.85 -1.22 -0.76 115.31 121.65 1jcq h LEU 256 Ca 0.08 0.02 -0.01 0.00 0.84 0.00 0.00 57.88 58.81 1jcq h LEU 256 Cb 0.44 -0.01 -0.03 0.00 0.37 0.00 0.00 40.66 41.43 1jcq h LEU 256 CO 0.02 0.12 0.33 -0.08 -0.34 0.00 0.00 178.44 178.49 1jcq h GLU 257 N 0.24 0.78 -0.47 1.25 4.57 -1.19 0.16 114.58 119.92 1jcq h GLU 257 Ca 0.11 -0.08 0.04 0.00 -1.18 0.00 0.00 59.36 58.24 1jcq h GLU 257 Cb 0.05 -0.16 -0.04 0.00 -0.16 0.00 0.00 28.75 28.44 1jcq h GLU 257 CO -0.09 0.58 0.24 -0.09 -1.18 0.00 0.00 179.01 178.48 1jcq h ARG 258 N 0.77 0.47 -0.55 1.92 2.43 -1.00 0.51 114.38 118.92 1jcq h ARG 258 Ca 0.20 -0.03 -0.06 0.00 -0.81 0.00 0.00 59.98 59.29 1jcq h ARG 258 Cb 0.01 -0.11 -0.02 0.00 -0.42 0.00 0.00 29.97 29.43 1jcq h ARG 258 CO -0.04 0.31 0.13 0.93 -1.51 0.00 0.00 179.97 179.79 1jcq h GLU 259 N 0.48 0.89 -0.49 0.20 4.39 -0.67 -0.99 114.58 118.38 1jcq h GLU 259 Ca 0.20 -0.22 -0.08 0.00 0.34 0.00 0.00 59.36 59.60 1jcq h GLU 259 Cb 0.10 -0.11 -0.02 0.00 -0.10 0.00 0.00 28.75 28.61 1jcq h GLU 259 CO -0.13 0.84 -0.02 0.28 -1.16 0.00 0.00 179.01 178.81 1jcq h VAL 260 N 0.78 1.25 -0.22 3.13 2.07 -0.16 -1.16 116.25 121.94 1jcq h VAL 260 Ca 0.17 -1.06 -0.08 0.00 0.82 0.00 0.00 66.70 66.55 1jcq h VAL 260 Cb 0.35 0.89 -0.00 0.00 -1.52 0.00 0.00 31.29 31.01 1jcq h VAL 260 CO 0.00 0.37 -0.16 1.56 0.02 0.00 0.00 177.57 179.37 1jcq h GLN 261 N 0.78 0.50 0.06 1.57 1.08 -0.76 -0.90 115.11 117.44 1jcq h GLN 261 Ca 0.15 -0.24 0.01 0.00 -1.45 0.00 0.00 58.65 57.11 1jcq h GLN 261 Cb 0.50 -0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 27.91 1jcq h GLN 261 CO 0.02 0.81 -0.09 -0.92 -0.95 0.00 0.00 178.83 177.71 1jcq h TYR 262 N 0.19 -0.22 -0.44 2.96 3.20 -1.05 -1.08 116.97 120.52 1jcq h TYR 262 Ca 0.04 0.00 0.01 0.00 3.14 0.00 0.00 58.73 61.93 1jcq h TYR 262 Cb 0.69 0.09 -0.03 0.00 1.54 0.00 0.00 36.73 39.02 1jcq h TYR 262 CO 0.07 -0.13 0.28 1.15 -1.64 0.00 0.00 178.16 177.89 1jcq h THR 263 N -0.18 1.08 -0.61 1.81 2.02 -1.18 -1.39 112.91 114.46 1jcq h THR 263 Ca 0.01 -0.20 -0.01 0.00 0.77 0.00 0.00 66.41 66.99 1jcq h THR 263 Cb 0.19 0.46 -0.03 0.00 -1.74 0.00 0.00 68.15 67.03 1jcq h THR 263 CO -0.04 0.10 0.33 -0.07 0.37 0.00 0.00 175.52 176.21 1jcq h LEU 264 N 0.57 0.74 -0.26 2.58 3.38 -0.98 -0.15 115.31 121.19 1jcq h LEU 264 Ca 0.17 -0.05 -0.01 0.00 0.09 0.00 0.00 57.88 58.07 1jcq h LEU 264 Cb -0.03 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 40.52 1jcq h LEU 264 CO -0.06 0.60 0.10 -0.33 0.09 0.00 0.00 178.44 178.85 1jcq h GLU 265 N 0.84 0.38 -0.98 1.13 5.08 -0.55 -1.32 114.58 119.17 1jcq h GLU 265 Ca 0.22 -0.07 0.02 0.00 -1.00 0.00 0.00 59.36 58.53 1jcq h GLU 265 Cb 0.02 -0.06 -0.05 0.00 0.50 0.00 0.00 28.75 29.16 1jcq h GLU 265 CO -0.04 0.42 0.65 0.52 -1.00 0.00 0.00 179.01 179.56 1jcq h MET 266 N 0.27 1.26 -0.45 2.33 2.86 -0.57 -1.41 114.93 119.22 1jcq h MET 266 Ca 0.09 -0.08 -0.03 0.00 -2.06 0.00 0.00 59.70 57.62 1jcq h MET 266 Cb 0.17 -0.29 -0.02 0.00 0.06 0.00 0.00 31.60 31.53 1jcq h MET 266 CO -0.01 0.84 0.18 0.82 1.06 0.00 0.00 176.91 179.80 1jcq h ILE 267 N 1.30 1.20 -0.14 -1.22 2.04 -0.73 -0.75 117.51 119.21 1jcq h ILE 267 Ca 0.37 -0.63 -0.05 0.00 1.00 0.00 0.00 64.86 65.56 1jcq h ILE 267 Cb -0.10 0.77 -0.01 0.00 -0.74 0.00 0.00 36.82 36.73 1jcq h ILE 267 CO -0.09 0.23 -0.12 0.11 0.00 0.00 0.00 178.15 178.28 1jcq h LYS 268 N 0.59 0.22 -0.06 2.37 1.57 -0.59 0.33 116.57 121.00 1jcq h LYS 268 Ca 0.15 -0.05 -0.24 0.00 -1.87 0.00 0.00 60.65 58.65 1jcq h LYS 268 Cb 0.19 -0.03 0.02 0.00 0.08 0.00 0.00 32.23 32.48 1jcq h LYS 268 CO -0.01 0.35 -0.90 -0.07 -0.57 0.00 0.00 179.45 178.25 1jcq h LEU 269 N 0.21 0.89 -6.39 2.94 3.38 -0.86 -3.39 115.31 112.09 1jcq h LEU 269 Ca 0.04 -0.70 -0.59 0.00 0.09 0.00 0.00 57.88 56.73 1jcq h LEU 269 Cb 0.35 -0.27 -0.39 0.00 0.09 0.00 0.00 40.66 40.44 1jcq h LEU 269 CO 0.02 1.46 -0.93 0.52 0.09 0.00 0.00 178.44 179.60 1jcq n VAL 270 N -3.93 -0.58 -0.13 1.22 0.31 -0.33 -5.00 118.33 109.89 1jcq n VAL 270 Ca -0.10 -3.80 0.27 0.00 -0.01 0.00 0.00 64.34 60.71 1jcq n VAL 270 Cb 0.81 -1.80 0.72 0.00 -0.91 0.00 0.00 33.84 32.66 1jcq n VAL 270 CO 0.00 0.00 0.00 -0.65 -1.32 0.00 0.00 176.83 174.86 1jcq h PRO 271 N 5.25 0.00 -0.69 5.55 0.11 -0.55 -1.13 132.00 140.53 1jcq h PRO 271 Ca 0.22 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.33 1jcq h PRO 271 Cb 0.87 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.98 1jcq h PRO 271 CO 0.45 0.00 0.00 0.72 -0.21 0.00 0.00 178.00 178.96 1jcq n HIS 272 N -4.02 1.06 -2.70 0.65 8.25 -1.26 -4.87 115.22 112.33 1jcq n HIS 272 Ca 0.17 -0.50 -0.43 0.00 -0.26 0.00 0.00 57.72 56.70 1jcq n HIS 272 Cb 0.95 -0.06 -0.03 0.00 1.12 0.00 0.00 29.99 31.97 1jcq n HIS 272 CO 0.00 0.00 0.00 1.21 0.64 0.00 0.00 176.34 178.19 1jcq s ASN 273 N -0.97 6.67 0.23 0.41 2.47 -0.43 -4.91 114.94 118.42 1jcq s ASN 273 Ca 0.48 0.53 -0.03 0.00 0.42 0.00 0.00 52.86 54.26 1jcq s ASN 273 Cb 0.26 -2.51 0.24 0.00 -1.45 0.00 0.00 41.25 37.79 1jcq s ASN 273 CO 0.30 -1.04 1.67 -0.08 -3.72 0.00 0.00 177.10 174.23 1jcq h GLU 274 N 8.80 0.77 -0.52 0.43 4.81 -1.89 -3.28 114.58 123.69 1jcq h GLU 274 Ca -0.23 -0.28 0.10 0.00 -0.13 0.00 0.00 59.36 58.83 1jcq h GLU 274 Cb 1.07 -0.05 -0.09 0.00 0.63 0.00 0.00 28.75 30.31 1jcq h GLU 274 CO 1.05 0.88 0.00 0.77 -0.73 0.00 0.00 179.01 180.98 1jcq h SER 275 N 0.68 -0.22 -0.81 1.04 0.02 -1.90 -0.41 113.55 111.96 1jcq h SER 275 Ca 0.11 0.12 -0.02 0.00 -0.84 0.00 0.00 61.79 61.16 1jcq h SER 275 Cb 0.65 0.22 -0.04 0.00 0.14 0.00 0.00 62.40 63.37 1jcq h SER 275 CO 0.05 -0.08 0.41 0.00 -1.14 0.00 0.00 176.83 176.07 1jcq h ALA 276 N 1.47 1.04 -0.61 3.77 0.00 -1.85 -0.61 119.26 122.47 1jcq h ALA 276 Ca 0.26 -0.14 -0.03 0.00 0.00 0.00 0.00 54.91 55.00 1jcq h ALA 276 Cb 0.40 -0.32 -0.03 0.00 0.00 0.00 0.00 17.79 17.84 1jcq h ALA 276 CO -0.44 0.59 0.25 -1.49 0.00 0.00 0.00 179.25 178.16 1jcq h TRP 277 N 1.14 0.93 -0.39 0.00 4.06 -1.43 -0.59 115.95 119.67 1jcq h TRP 277 Ca 0.28 -0.07 -0.07 0.00 2.06 0.00 0.00 58.89 61.09 1jcq h TRP 277 Cb 0.08 -0.28 -0.02 0.00 -1.00 0.00 0.00 29.16 27.95 1jcq h TRP 277 CO 0.01 0.74 -0.07 -0.91 -3.56 0.00 0.00 178.44 174.65 1jcq h ASN 278 N 0.85 0.63 -0.36 -3.49 2.35 -0.57 -1.77 115.58 113.22 1jcq h ASN 278 Ca 0.20 -0.16 -0.14 0.00 -0.55 0.00 0.00 56.30 55.65 1jcq h ASN 278 Cb 0.20 -0.17 -0.01 0.00 0.05 0.00 0.00 38.32 38.39 1jcq h ASN 278 CO -0.02 0.75 -0.33 0.22 -1.65 0.00 0.00 177.43 176.40 1jcq h TYR 279 N 0.61 1.03 -0.22 1.19 3.20 -0.85 0.10 116.97 122.03 1jcq h TYR 279 Ca 0.11 -0.30 0.01 0.00 3.14 0.00 0.00 58.73 61.69 1jcq h TYR 279 Cb 0.48 -0.22 -0.01 0.00 1.54 0.00 0.00 36.73 38.52 1jcq h TYR 279 CO 0.02 1.11 0.13 1.25 -1.64 0.00 0.00 178.16 179.03 1jcq h LEU 280 N 0.66 0.22 -0.55 2.82 5.85 -0.81 -0.24 115.31 123.27 1jcq h LEU 280 Ca 0.06 -0.00 -0.13 0.00 0.84 0.00 0.00 57.88 58.65 1jcq h LEU 280 Cb 0.92 -0.05 -0.01 0.00 0.37 0.00 0.00 40.66 41.89 1jcq h LEU 280 CO 0.08 0.16 -0.26 0.50 -0.34 0.00 0.00 178.44 178.59 1jcq h LYS 281 N 0.27 0.90 -0.93 1.25 3.64 -1.27 -3.11 116.57 117.32 1jcq h LYS 281 Ca 0.08 -0.39 0.07 0.00 -1.27 0.00 0.00 60.65 59.14 1jcq h LYS 281 Cb -0.01 -0.02 -0.07 0.00 -0.41 0.00 0.00 32.23 31.72 1jcq h LYS 281 CO -0.03 1.04 0.59 0.78 -2.27 0.00 0.00 179.45 179.56 1jcq h GLY 282 N 0.90 1.42 1.07 5.01 0.00 -0.26 0.23 103.07 111.43 1jcq h GLY 282 Ca 0.09 -0.43 0.00 0.00 0.00 0.00 0.00 47.33 47.00 1jcq h GLY 282 CO 0.07 0.29 -0.08 0.29 0.00 0.00 0.00 176.54 177.10 1jcq n ILE 283 N -4.57 0.00 -0.00 2.60 -5.35 -0.15 -4.08 119.36 107.81 1jcq n ILE 283 Ca 0.14 -0.04 0.01 0.00 -0.27 0.00 0.00 62.75 62.58 1jcq n ILE 283 Cb 0.20 -0.20 -0.01 0.00 -1.74 0.00 0.00 39.64 37.88 1jcq n ILE 283 CO 0.00 0.00 0.00 0.18 -1.76 0.00 0.00 176.55 174.97 1jcq n LEU 284 N -1.04 0.00 -0.14 7.28 4.77 -0.72 -4.80 117.00 122.36 1jcq n LEU 284 Ca 0.15 0.00 0.07 0.00 -0.03 0.00 0.00 56.01 56.20 1jcq n LEU 284 Cb 0.26 0.00 0.39 0.00 -2.33 0.00 0.00 43.42 41.74 1jcq n LEU 284 CO 0.23 0.00 1.20 0.06 -1.33 0.00 0.00 177.39 177.56 1jcq h GLN 285 N 0.00 0.65 -0.54 3.23 3.07 -0.73 -2.64 115.11 118.14 1jcq h GLN 285 Ca -0.00 -0.04 -0.05 0.00 0.09 0.00 0.00 58.65 58.65 1jcq h GLN 285 Cb 0.20 -0.15 -0.03 0.00 0.08 0.00 0.00 27.48 27.58 1jcq h GLN 285 CO 0.00 0.43 0.14 -0.44 0.09 0.00 0.00 178.83 179.05 1jcq h ASP 286 N 0.67 0.77 0.92 0.06 3.32 -1.84 -2.81 116.42 117.51 1jcq h ASP 286 Ca 0.28 -0.13 -0.22 0.00 0.02 0.00 0.00 57.03 56.97 1jcq h ASP 286 Cb 0.25 -0.20 -0.03 0.00 0.22 0.00 0.00 39.33 39.56 1jcq h ASP 286 CO -0.09 0.75 -1.10 0.03 -1.72 0.00 0.00 179.24 177.12 1jcq h ARG 287 N 0.80 0.01 0.00 3.56 2.47 -1.87 -3.49 114.38 115.85 1jcq h ARG 287 Ca 0.18 -0.01 0.00 0.00 -1.26 0.00 0.00 59.98 58.88 1jcq h ARG 287 Cb 0.28 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.61 1jcq h ARG 287 CO -0.00 0.94 0.00 0.41 0.56 0.00 0.00 179.97 181.88 1jcq n GLY 288 N 1.38 3.56 0.22 0.04 0.00 -1.01 -4.80 105.19 104.58 1jcq n GLY 288 Ca -0.02 -1.29 0.06 0.00 0.00 0.00 0.00 46.02 44.76 1jcq n GLY 288 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1jcq h LEU 289 N 0.00 0.00 -0.13 0.99 3.38 -1.81 -2.16 115.31 115.59 1jcq h LEU 289 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1jcq h LEU 289 Cb 0.00 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.75 1jcq h LEU 289 CO 0.00 0.21 0.00 -1.54 0.09 0.00 0.00 178.44 177.20 1jcq n SER 290 N -4.17 0.16 0.00 -0.43 3.41 -1.26 -2.80 113.62 108.52 1jcq n SER 290 Ca -0.02 0.53 0.15 0.00 -0.26 0.00 0.00 58.87 59.27 1jcq n SER 290 Cb 0.28 -0.57 0.80 0.00 -0.26 0.00 0.00 64.21 64.46 1jcq n SER 290 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 1jcq n LYS 291 N -1.67 0.65 -3.66 4.33 4.76 -0.81 -4.11 118.16 117.66 1jcq n LYS 291 Ca 0.04 0.01 -0.27 0.00 -2.87 0.00 0.00 58.31 55.21 1jcq n LYS 291 Cb 0.22 -1.50 -0.10 0.00 -1.84 0.00 0.00 35.03 31.81 1jcq n LYS 291 CO 0.00 0.00 0.00 0.66 -1.37 0.00 0.00 177.40 176.69 1jcq n TYR 292 N -1.16 2.73 0.16 2.13 4.02 -1.12 -4.97 117.16 118.94 1jcq n TYR 292 Ca 0.18 -4.12 0.18 0.00 -0.01 0.00 0.00 57.90 54.13 1jcq n TYR 292 Cb 0.17 -0.50 0.78 0.00 -0.02 0.00 0.00 39.34 39.78 1jcq n TYR 292 CO 0.00 0.00 0.00 -1.00 -1.01 0.00 0.00 176.86 174.85 1jcq h PRO 293 N 4.95 0.00 0.00 -0.72 0.13 -1.83 -1.98 132.00 132.55 1jcq h PRO 293 Ca 0.17 0.00 -0.15 0.00 -0.87 0.00 0.00 66.00 65.15 1jcq h PRO 293 Cb 0.75 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 31.86 1jcq h PRO 293 CO 0.70 0.00 -0.73 -0.91 -0.23 0.00 0.00 178.00 176.84 1jcq h ASN 294 N 0.00 0.00 -0.84 1.44 2.35 -1.96 -3.24 115.58 113.34 1jcq h ASN 294 Ca 0.12 0.00 -0.01 0.00 -0.55 0.00 0.00 56.30 55.87 1jcq h ASN 294 Cb 0.63 0.00 -0.04 0.00 0.05 0.00 0.00 38.32 38.96 1jcq h ASN 294 CO -0.00 0.73 0.50 0.25 -1.65 0.00 0.00 177.43 177.25 1jcq h LEU 295 N 0.00 1.02 -0.06 1.61 5.85 -1.75 -1.54 115.31 120.45 1jcq h LEU 295 Ca -0.01 -0.07 -0.00 0.00 0.84 0.00 0.00 57.88 58.65 1jcq h LEU 295 Cb 1.32 -0.26 -0.00 0.00 0.37 0.00 0.00 40.66 42.08 1jcq h LEU 295 CO 0.09 0.79 0.04 0.25 -0.34 0.00 0.00 178.44 179.27 1jcq h LEU 296 N 1.17 0.07 -0.66 2.25 5.85 -1.67 -1.05 115.31 121.28 1jcq h LEU 296 Ca 0.30 -0.04 -0.03 0.00 0.84 0.00 0.00 57.88 58.95 1jcq h LEU 296 Cb -0.03 -0.02 -0.03 0.00 0.37 0.00 0.00 40.66 40.95 1jcq h LEU 296 CO -0.05 0.09 0.30 0.78 -0.34 0.00 0.00 178.44 179.21 1jcq h ASN 297 N 0.04 0.87 -0.32 1.25 2.35 -1.61 -0.09 115.58 118.07 1jcq h ASN 297 Ca 0.02 -0.15 -0.07 0.00 -0.55 0.00 0.00 56.30 55.55 1jcq h ASN 297 Cb 0.03 -0.23 -0.02 0.00 0.05 0.00 0.00 38.32 38.16 1jcq h ASN 297 CO -0.00 0.78 -0.03 1.56 -1.65 0.00 0.00 177.43 178.08 1jcq h GLN 298 N 0.91 0.70 -0.29 0.81 4.20 -1.09 -1.64 115.11 118.71 1jcq h GLN 298 Ca 0.22 -0.19 -0.18 0.00 0.06 0.00 0.00 58.65 58.56 1jcq h GLN 298 Cb 0.15 -0.08 0.00 0.00 0.30 0.00 0.00 27.48 27.85 1jcq h GLN 298 CO -0.02 0.74 -0.53 -0.07 -0.67 0.00 0.00 178.83 178.28 1jcq h LEU 299 N 0.65 0.96 -1.55 1.46 3.38 -0.77 -2.88 115.31 116.56 1jcq h LEU 299 Ca 0.13 -0.53 -0.01 0.00 0.09 0.00 0.00 57.88 57.56 1jcq h LEU 299 Cb 0.46 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 40.91 1jcq h LEU 299 CO 0.02 1.31 0.20 -0.07 0.09 0.00 0.00 178.44 179.99 1jcq h LEU 300 N 0.64 0.44 -0.74 1.67 3.38 -0.73 -1.65 115.31 118.31 1jcq h LEU 300 Ca 0.02 -0.03 -0.07 0.00 0.09 0.00 0.00 57.88 57.89 1jcq h LEU 300 Cb 1.14 -0.11 -0.03 0.00 0.09 0.00 0.00 40.66 41.75 1jcq h LEU 300 CO 0.12 0.36 0.16 0.44 0.09 0.00 0.00 178.44 179.61 1jcq h ASP 301 N 0.50 1.06 0.81 -0.43 3.45 -1.10 -1.54 116.42 119.17 1jcq h ASP 301 Ca 0.13 -0.23 0.00 0.00 0.43 0.00 0.00 57.03 57.36 1jcq h ASP 301 Cb 0.02 -0.28 0.00 0.00 -0.56 0.00 0.00 39.33 38.51 1jcq h ASP 301 CO -0.02 1.02 0.00 -0.07 -1.57 0.00 0.00 179.24 178.60 1jcq h LEU 302 N 1.06 0.00 -0.23 1.55 3.38 -1.13 -3.39 115.31 116.56 1jcq h LEU 302 Ca 0.22 0.00 0.02 0.00 0.09 0.00 0.00 57.88 58.21 1jcq h LEU 302 Cb 0.38 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.10 1jcq h LEU 302 CO 0.00 0.00 -0.13 0.00 0.09 0.00 0.00 178.44 178.40 1jcq n GLN 303 N -2.96 -0.10 0.05 1.13 1.13 -0.58 0.71 117.38 116.76 1jcq n GLN 303 Ca 0.00 0.76 -0.12 0.00 -1.94 0.00 0.00 57.00 55.70 1jcq n GLN 303 Cb 0.26 -1.13 -0.09 0.00 0.11 0.00 0.00 30.24 29.39 1jcq n GLN 303 CO 0.00 0.00 0.00 -1.00 -1.44 0.00 0.00 177.06 174.62 1jcq h PRO 304 N 0.00 -0.19 0.00 -1.09 0.13 -1.79 -0.30 132.00 128.76 1jcq h PRO 304 Ca 0.04 0.01 0.00 0.00 -0.87 0.00 0.00 66.00 65.18 1jcq h PRO 304 Cb 0.09 0.04 0.00 0.00 0.13 0.00 0.00 31.00 31.27 1jcq h PRO 304 CO -0.21 0.25 0.00 -1.13 -0.23 0.00 0.00 178.00 176.68 1jcq n SER 305 N -4.94 0.00 -0.07 1.44 3.41 -1.11 -3.75 113.62 108.59 1jcq n SER 305 Ca -0.08 0.50 0.00 0.00 -0.26 0.00 0.00 58.87 59.03 1jcq n SER 305 Cb 0.27 -0.50 0.00 0.00 -0.26 0.00 0.00 64.21 63.72 1jcq n SER 305 CO 0.00 0.00 0.00 1.41 -0.16 0.00 0.00 175.04 176.29 1jcq n HIS 306 N -1.50 0.00 -1.47 7.33 8.25 0.22 -5.09 115.22 122.96 1jcq n HIS 306 Ca 0.03 0.00 -0.38 0.00 -0.26 0.00 0.00 57.72 57.11 1jcq n HIS 306 Cb 0.16 0.06 0.04 0.00 1.12 0.00 0.00 29.99 31.36 1jcq n HIS 306 CO 0.00 0.00 0.00 0.45 0.64 0.00 0.00 176.34 177.43 1jcq n SER 307 N 0.00 -0.96 -3.55 0.41 2.88 -0.12 -4.88 113.62 107.39 1jcq n SER 307 Ca 0.00 0.75 -0.06 0.00 -1.33 0.00 0.00 58.87 58.23 1jcq n SER 307 Cb 0.52 -1.18 -0.02 0.00 -0.75 0.00 0.00 64.21 62.78 1jcq n SER 307 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 1jcq s SER 308 N -1.15 -0.25 0.46 -3.46 1.04 -1.26 -4.98 113.70 104.11 1jcq s SER 308 Ca 0.68 0.01 0.22 0.00 0.48 0.00 0.00 55.95 57.34 1jcq s SER 308 Cb -0.46 0.26 1.23 0.00 0.10 0.00 0.00 66.02 67.15 1jcq s SER 308 CO 0.54 -0.41 1.88 1.55 0.98 0.00 0.00 173.24 177.79 1jcq h PRO 309 N 2.01 0.24 -0.41 4.02 0.13 -1.95 -1.27 132.00 134.78 1jcq h PRO 309 Ca -0.15 -0.01 -0.03 0.00 -0.87 0.00 0.00 66.00 64.94 1jcq h PRO 309 Cb 1.20 -0.05 -0.02 0.00 0.13 0.00 0.00 31.00 32.26 1jcq h PRO 309 CO 0.27 0.16 0.16 1.88 -0.23 0.00 0.00 178.00 180.23 1jcq h TYR 310 N 0.25 0.64 -0.22 1.56 -1.99 -1.94 0.12 116.97 115.39 1jcq h TYR 310 Ca 0.43 -0.05 -0.04 0.00 2.00 0.00 0.00 58.73 61.07 1jcq h TYR 310 Cb 1.28 -0.19 -0.01 0.00 2.00 0.00 0.00 36.73 39.82 1jcq h TYR 310 CO -0.00 0.57 -0.01 1.25 -0.00 0.00 0.00 178.16 179.96 1jcq h LEU 311 N 0.52 0.39 -0.73 3.88 6.46 -1.60 -0.76 115.31 123.47 1jcq h LEU 311 Ca 0.14 -0.33 -0.00 0.00 -0.12 0.00 0.00 57.88 57.57 1jcq h LEU 311 Cb 0.21 -0.10 -0.04 0.00 -0.73 0.00 0.00 40.66 40.00 1jcq h LEU 311 CO -0.01 0.62 0.44 0.40 -0.62 0.00 0.00 178.44 179.27 1jcq h ILE 312 N 0.14 1.21 -0.46 4.05 1.08 -1.33 0.25 117.51 122.45 1jcq h ILE 312 Ca 0.06 -0.45 -0.02 0.00 -0.39 0.00 0.00 64.86 64.06 1jcq h ILE 312 Cb 0.43 0.19 -0.02 0.00 -3.07 0.00 0.00 36.82 34.34 1jcq h ILE 312 CO 0.01 0.21 0.21 0.00 -0.69 0.00 0.00 178.15 177.90 1jcq h ALA 313 N 1.24 0.59 -0.83 1.87 0.00 -0.66 -1.95 119.26 119.52 1jcq h ALA 313 Ca 0.26 -0.12 -0.01 0.00 0.00 0.00 0.00 54.91 55.04 1jcq h ALA 313 Cb -0.04 -0.18 -0.04 0.00 0.00 0.00 0.00 17.79 17.53 1jcq h ALA 313 CO -0.05 0.16 0.48 0.35 0.00 0.00 0.00 179.25 180.19 1jcq h PHE 314 N 0.59 1.10 -0.80 0.00 3.57 -0.50 -1.16 116.94 119.74 1jcq h PHE 314 Ca 0.16 -0.01 -0.02 0.00 3.53 0.00 0.00 57.97 61.62 1jcq h PHE 314 Cb 0.13 -0.36 -0.04 0.00 2.79 0.00 0.00 35.95 38.47 1jcq h PHE 314 CO -0.01 0.75 0.41 -0.07 -2.23 0.00 0.00 178.31 177.16 1jcq h LEU 315 N 1.15 1.02 -0.72 0.59 3.38 -0.37 -1.38 115.31 118.97 1jcq h LEU 315 Ca 0.29 -0.12 -0.04 0.00 0.09 0.00 0.00 57.88 58.11 1jcq h LEU 315 Cb -0.02 -0.26 -0.03 0.00 0.09 0.00 0.00 40.66 40.44 1jcq h LEU 315 CO -0.05 0.85 0.29 0.58 0.09 0.00 0.00 178.44 180.20 1jcq h VAL 316 N 1.12 1.25 -0.84 1.22 2.07 -0.59 -0.78 116.25 119.70 1jcq h VAL 316 Ca 0.28 -0.78 0.02 0.00 0.82 0.00 0.00 66.70 67.04 1jcq h VAL 316 Cb 0.08 0.41 -0.05 0.00 -1.52 0.00 0.00 31.29 30.21 1jcq h VAL 316 CO -0.04 0.31 0.54 0.44 0.02 0.00 0.00 177.57 178.85 1jcq h ASP 317 N 1.04 0.91 -0.14 0.57 3.32 -0.65 0.27 116.42 121.73 1jcq h ASP 317 Ca 0.24 -0.01 -0.01 0.00 0.02 0.00 0.00 57.03 57.27 1jcq h ASP 317 Cb 0.21 -0.21 -0.01 0.00 0.22 0.00 0.00 39.33 39.54 1jcq h ASP 317 CO -0.02 0.64 0.05 0.40 -1.72 0.00 0.00 179.24 178.60 1jcq h ILE 318 N 1.08 1.16 -0.84 0.35 2.04 -0.65 -1.64 117.51 119.01 1jcq h ILE 318 Ca 0.32 -0.48 0.00 0.00 1.00 0.00 0.00 64.86 65.71 1jcq h ILE 318 Cb -0.04 1.21 -0.04 0.00 -0.74 0.00 0.00 36.82 37.21 1jcq h ILE 318 CO -0.10 0.15 0.54 1.88 0.00 0.00 0.00 178.15 180.62 1jcq h TYR 319 N 0.07 1.07 -0.17 1.37 0.99 -0.55 0.73 116.97 120.47 1jcq h TYR 319 Ca 0.05 0.02 0.05 0.00 2.00 0.00 0.00 58.73 60.85 1jcq h TYR 319 Cb 0.18 -0.36 -0.07 0.00 1.00 0.00 0.00 36.73 37.49 1jcq h TYR 319 CO -0.01 0.69 -0.29 0.93 -0.00 0.00 0.00 178.16 179.47 1jcq h GLU 320 N 1.14 -0.33 -0.48 4.88 5.08 -0.18 -0.43 114.58 124.27 1jcq h GLU 320 Ca 0.30 0.02 -0.09 0.00 -1.00 0.00 0.00 59.36 58.59 1jcq h GLU 320 Cb -0.10 0.07 -0.02 0.00 0.50 0.00 0.00 28.75 29.20 1jcq h GLU 320 CO -0.06 -0.22 -0.08 0.22 -1.00 0.00 0.00 179.01 177.87 1jcq h ASP 321 N -0.34 0.85 0.02 1.42 3.58 -0.77 -2.03 116.42 119.16 1jcq h ASP 321 Ca 0.11 -0.25 0.00 0.00 0.42 0.00 0.00 57.03 57.31 1jcq h ASP 321 Cb 0.51 -0.23 -0.00 0.00 1.72 0.00 0.00 39.33 41.33 1jcq h ASP 321 CO -0.37 0.96 -0.03 0.24 -2.88 0.00 0.00 179.24 177.16 1jcq h MET 322 N 0.78 -0.07 -0.89 0.28 2.86 -0.08 -1.18 114.93 116.63 1jcq h MET 322 Ca 0.13 0.00 0.02 0.00 -2.06 0.00 0.00 59.70 57.80 1jcq h MET 322 Cb 0.58 0.02 -0.05 0.00 0.06 0.00 0.00 31.60 32.21 1jcq h MET 322 CO 0.04 -0.05 0.59 -0.07 1.06 0.00 0.00 176.91 178.48 1jcq h LEU 323 N -0.07 1.00 -1.85 1.22 3.38 -1.02 -0.23 115.31 117.74 1jcq h LEU 323 Ca 0.01 -0.02 -0.03 0.00 0.09 0.00 0.00 57.88 57.93 1jcq h LEU 323 Cb 0.08 -0.24 -0.00 0.00 0.09 0.00 0.00 40.66 40.58 1jcq h LEU 323 CO -0.02 0.71 -0.13 -0.08 0.09 0.00 0.00 178.44 179.01 1jcq h GLU 324 N 1.17 0.00 -1.20 1.13 4.57 -0.84 -3.22 114.58 116.19 1jcq h GLU 324 Ca 0.34 0.00 -0.64 0.00 -1.18 0.00 0.00 59.36 57.88 1jcq h GLU 324 Cb -0.07 0.00 -0.35 0.00 -0.16 0.00 0.00 28.75 28.17 1jcq h GLU 324 CO -0.09 0.13 0.14 0.09 -1.18 0.00 0.00 179.01 178.10 1jcq n ASN 325 N -3.62 6.36 -4.12 1.04 3.02 -0.12 -4.95 115.26 112.87 1jcq n ASN 325 Ca -0.02 -3.78 -0.35 0.00 -0.03 0.00 0.00 54.58 50.41 1jcq n ASN 325 Cb 0.25 -0.72 -0.02 0.00 -0.61 0.00 0.00 39.78 38.68 1jcq n ASN 325 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1jcq n GLN 326 N -0.71 -3.48 -0.92 3.52 1.13 -1.22 -4.93 117.38 110.77 1jcq n GLN 326 Ca 0.52 0.40 -0.30 0.00 -1.94 0.00 0.00 57.00 55.68 1jcq n GLN 326 Cb 0.67 -5.16 0.16 0.00 0.11 0.00 0.00 30.24 26.01 1jcq n GLN 326 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1jcq s ASP 328 N -2.99 6.45 -0.83 0.00 1.01 -1.26 -4.02 116.67 115.02 1jcq s ASP 328 Ca 0.65 1.00 -0.02 0.00 0.71 0.00 0.00 52.55 54.88 1jcq s ASP 328 Cb -0.21 -2.27 0.00 0.00 1.01 0.00 0.00 42.92 41.46 1jcq s ASP 328 CO 0.58 -0.39 0.31 0.59 0.21 0.00 0.00 175.17 176.47 1jcq n ASN 329 N -1.43 -3.97 -0.29 0.27 3.02 -1.26 -4.86 115.26 106.74 1jcq n ASN 329 Ca 0.01 -0.15 0.10 0.00 -0.03 0.00 0.00 54.58 54.52 1jcq n ASN 329 Cb 0.54 -2.87 0.27 0.00 -0.61 0.00 0.00 39.78 37.11 1jcq n ASN 329 CO 0.00 0.00 0.00 0.11 -2.62 0.00 0.00 177.26 174.75 1jcq h LYS 330 N -0.71 0.43 -0.38 3.52 1.57 -1.97 0.71 116.57 119.73 1jcq h LYS 330 Ca -0.28 -0.03 -0.01 0.00 -1.87 0.00 0.00 60.65 58.46 1jcq h LYS 330 Cb 1.19 -0.10 -0.02 0.00 0.08 0.00 0.00 32.23 33.39 1jcq h LYS 330 CO 0.30 0.28 0.20 0.93 -0.57 0.00 0.00 179.45 180.59 1jcq h GLU 331 N 0.44 0.53 0.08 3.15 4.39 -1.92 0.75 114.58 122.01 1jcq h GLU 331 Ca 0.51 -0.07 -0.00 0.00 0.34 0.00 0.00 59.36 60.14 1jcq h GLU 331 Cb 0.90 -0.10 0.00 0.00 -0.10 0.00 0.00 28.75 29.45 1jcq h GLU 331 CO -0.48 0.45 -0.04 0.22 -1.16 0.00 0.00 179.01 178.01 1jcq h ASP 332 N 0.48 -0.09 -0.82 1.42 3.58 -1.38 -1.02 116.42 118.58 1jcq h ASP 332 Ca 0.13 -0.07 -0.03 0.00 0.42 0.00 0.00 57.03 57.49 1jcq h ASP 332 Cb 0.08 0.02 -0.04 0.00 1.72 0.00 0.00 39.33 41.12 1jcq h ASP 332 CO -0.02 0.01 0.40 0.40 -2.88 0.00 0.00 179.24 177.15 1jcq h ILE 333 N -0.18 1.25 -0.46 2.25 1.08 -0.87 0.19 117.51 120.78 1jcq h ILE 333 Ca -0.01 -0.71 -0.02 0.00 -0.39 0.00 0.00 64.86 63.73 1jcq h ILE 333 Cb 0.15 0.20 -0.02 0.00 -3.07 0.00 0.00 36.82 34.08 1jcq h ILE 333 CO 0.02 0.30 0.21 0.25 -0.69 0.00 0.00 178.15 178.24 1jcq h LEU 334 N 1.17 0.61 -0.59 1.44 5.85 -0.69 -0.25 115.31 122.84 1jcq h LEU 334 Ca 0.28 -0.14 -0.06 0.00 0.84 0.00 0.00 57.88 58.80 1jcq h LEU 334 Cb 0.11 -0.16 -0.02 0.00 0.37 0.00 0.00 40.66 40.96 1jcq h LEU 334 CO -0.04 0.59 0.15 -1.13 -0.34 0.00 0.00 178.44 177.68 1jcq h ASN 335 N 0.60 0.89 -0.43 1.25 -1.24 -0.69 0.11 115.58 116.07 1jcq h ASN 335 Ca 0.16 -0.23 -0.03 0.00 0.71 0.00 0.00 56.30 56.91 1jcq h ASN 335 Cb 0.15 -0.24 -0.02 0.00 0.73 0.00 0.00 38.32 38.94 1jcq h ASN 335 CO -0.02 0.89 0.15 0.11 -1.29 0.00 0.00 177.43 177.27 1jcq h LYS 336 N 0.86 0.66 -0.59 6.67 1.79 -0.73 -1.57 116.57 123.65 1jcq h LYS 336 Ca 0.19 -0.13 -0.06 0.00 -2.18 0.00 0.00 60.65 58.47 1jcq h LYS 336 Cb 0.34 -0.10 -0.02 0.00 -1.58 0.00 0.00 32.23 30.86 1jcq h LYS 336 CO 0.00 0.62 0.14 0.00 -1.08 0.00 0.00 179.45 179.13 1jcq h ALA 337 N 1.00 0.78 -0.52 3.86 0.00 -0.79 -2.21 119.26 121.37 1jcq h ALA 337 Ca 0.14 -0.23 -0.10 0.00 0.00 0.00 0.00 54.91 54.73 1jcq h ALA 337 Cb 0.23 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.77 1jcq h ALA 337 CO -0.01 0.49 -0.06 -0.07 0.00 0.00 0.00 179.25 179.60 1jcq h LEU 338 N 0.85 0.91 -0.45 0.00 3.38 -0.63 -1.78 115.31 117.59 1jcq h LEU 338 Ca 0.18 -0.27 -0.00 0.00 0.09 0.00 0.00 57.88 57.89 1jcq h LEU 338 Cb 0.36 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 40.84 1jcq h LEU 338 CO 0.00 1.01 0.28 -0.33 0.09 0.00 0.00 178.44 179.49 1jcq h GLU 339 N 0.84 0.61 -0.71 1.13 5.08 -1.09 -1.89 114.58 118.54 1jcq h GLU 339 Ca 0.14 -0.05 -0.04 0.00 -1.00 0.00 0.00 59.36 58.42 1jcq h GLU 339 Cb 0.58 -0.13 -0.03 0.00 0.50 0.00 0.00 28.75 29.67 1jcq h GLU 339 CO 0.04 0.43 0.31 -0.07 -1.00 0.00 0.00 179.01 178.72 1jcq h LEU 340 N 0.61 0.97 -0.94 1.33 3.38 -1.18 -0.73 115.31 118.74 1jcq h LEU 340 Ca 0.16 -0.16 0.03 0.00 0.09 0.00 0.00 57.88 58.00 1jcq h LEU 340 Cb -0.03 -0.25 -0.05 0.00 0.09 0.00 0.00 40.66 40.42 1jcq h LEU 340 CO -0.03 0.86 0.62 0.00 0.09 0.00 0.00 178.44 179.98 1jcq h GLU 342 N 1.21 0.85 -0.59 0.00 4.57 -0.86 -0.29 114.58 119.47 1jcq h GLU 342 Ca 0.37 -0.27 -0.09 0.00 -1.18 0.00 0.00 59.36 58.18 1jcq h GLU 342 Cb -0.03 -0.08 -0.02 0.00 -0.16 0.00 0.00 28.75 28.46 1jcq h GLU 342 CO -0.11 0.90 0.01 0.82 -1.18 0.00 0.00 179.01 179.44 1jcq h ILE 343 N 0.70 1.27 -0.42 2.32 2.04 -0.51 -0.19 117.51 122.72 1jcq h ILE 343 Ca 0.14 -1.14 -0.14 0.00 1.00 0.00 0.00 64.86 64.72 1jcq h ILE 343 Cb 0.52 0.82 -0.01 0.00 -0.74 0.00 0.00 36.82 37.41 1jcq h ILE 343 CO 0.03 0.41 -0.30 -0.07 0.00 0.00 0.00 178.15 178.22 1jcq h LEU 344 N 0.94 0.99 -0.33 1.44 3.38 -0.70 0.16 115.31 121.19 1jcq h LEU 344 Ca 0.17 -0.43 -0.16 0.00 0.09 0.00 0.00 57.88 57.54 1jcq h LEU 344 Cb 0.55 -0.28 -0.00 0.00 0.09 0.00 0.00 40.66 41.02 1jcq h LEU 344 CO 0.03 1.21 -0.44 0.00 0.09 0.00 0.00 178.44 179.33 1jcq h ALA 345 N 0.81 0.50 0.03 1.53 0.00 -0.87 0.40 119.26 121.66 1jcq h ALA 345 Ca 0.08 -0.47 -0.32 0.00 0.00 0.00 0.00 54.91 54.20 1jcq h ALA 345 Cb 0.88 -0.10 -0.04 0.00 0.00 0.00 0.00 17.79 18.53 1jcq h ALA 345 CO 0.08 0.64 -1.87 1.17 0.00 0.00 0.00 179.25 179.27 1jcq n LYS 346 N -4.07 0.67 0.06 0.00 4.81 -0.10 -4.09 118.16 115.43 1jcq n LYS 346 Ca -0.03 0.26 0.00 0.00 -0.87 0.00 0.00 58.31 57.66 1jcq n LYS 346 Cb 0.57 -1.74 0.00 0.00 0.02 0.00 0.00 35.03 33.88 1jcq n LYS 346 CO 0.00 0.00 0.00 -1.91 1.17 0.00 0.00 177.40 176.66 1jcq n GLU 347 N -3.14 0.00 0.10 1.64 2.13 0.32 -4.81 120.64 116.87 1jcq n GLU 347 Ca -0.23 0.00 0.13 0.00 0.66 0.00 0.00 57.16 57.72 1jcq n GLU 347 Cb 1.06 -0.33 0.44 0.00 0.27 0.00 0.00 31.44 32.88 1jcq n GLU 347 CO 0.00 0.00 0.00 1.63 -0.41 0.00 0.00 177.13 178.35 1jcq n LYS 348 N -3.32 0.22 -2.69 5.31 4.01 0.21 -4.31 118.16 117.58 1jcq n LYS 348 Ca 0.00 0.23 -0.06 0.00 -0.51 0.00 0.00 58.31 57.97 1jcq n LYS 348 Cb 0.00 -1.78 0.11 0.00 -0.51 0.00 0.00 35.03 32.85 1jcq n LYS 348 CO 0.00 0.00 0.00 -3.47 -1.11 0.00 0.00 177.40 172.82 1jcq n ASP 349 N -2.16 -1.48 0.14 4.39 2.03 0.14 -4.57 116.55 115.04 1jcq n ASP 349 Ca 0.05 -2.43 0.19 0.00 0.52 0.00 0.00 54.79 53.13 1jcq n ASP 349 Cb 0.38 0.80 0.78 0.00 -0.72 0.00 0.00 41.12 42.36 1jcq n ASP 349 CO 0.00 0.00 0.00 0.71 -1.92 0.00 0.00 177.20 175.99 1jcq h THR 350 N 2.54 0.38 0.00 5.18 1.35 -1.60 0.73 112.91 121.48 1jcq h THR 350 Ca -0.29 0.00 -0.02 0.00 -0.55 0.00 0.00 66.41 65.54 1jcq h THR 350 Cb 1.29 0.71 -0.00 0.00 -1.73 0.00 0.00 68.15 68.42 1jcq h THR 350 CO -0.04 0.00 -0.11 -0.29 -0.25 0.00 0.00 175.52 174.83 1jcq h ILE 351 N 0.00 0.62 -0.57 6.82 6.09 -1.88 -1.59 117.51 127.00 1jcq h ILE 351 Ca 0.15 -0.46 -0.26 0.00 -1.37 0.00 0.00 64.86 62.92 1jcq h ILE 351 Cb 0.86 1.29 -0.15 0.00 0.47 0.00 0.00 36.82 39.28 1jcq h ILE 351 CO -0.00 0.11 0.18 0.54 -3.07 0.00 0.00 178.15 175.90 1jcq n ARG 352 N -3.75 2.33 -0.16 2.19 1.74 0.25 -4.73 116.66 114.52 1jcq n ARG 352 Ca -0.02 -3.09 -0.03 0.00 -0.77 0.00 0.00 57.85 53.94 1jcq n ARG 352 Cb 0.21 -1.97 0.03 0.00 -1.02 0.00 0.00 32.46 29.71 1jcq n ARG 352 CO 0.00 0.00 0.00 -0.22 -1.52 0.00 0.00 177.63 175.89 1jcq h LYS 353 N 1.31 -0.03 -0.97 5.56 3.64 -1.33 -0.00 116.57 124.74 1jcq h LYS 353 Ca 0.32 0.00 0.04 0.00 -1.27 0.00 0.00 60.65 59.74 1jcq h LYS 353 Cb 2.06 0.01 -0.06 0.00 -0.41 0.00 0.00 32.23 33.83 1jcq h LYS 353 CO 0.62 -0.02 0.63 0.93 -2.27 0.00 0.00 179.45 179.34 1jcq h GLU 354 N -0.03 1.19 -0.21 1.90 4.39 -1.85 -0.47 114.58 119.49 1jcq h GLU 354 Ca 0.24 -0.07 -0.05 0.00 0.34 0.00 0.00 59.36 59.82 1jcq h GLU 354 Cb 0.41 -0.27 -0.01 0.00 -0.10 0.00 0.00 28.75 28.78 1jcq h GLU 354 CO -0.54 0.79 -0.07 -0.92 -1.16 0.00 0.00 179.01 177.10 1jcq h TYR 355 N 1.23 0.48 -0.63 4.33 3.20 -1.56 -1.92 116.97 122.10 1jcq h TYR 355 Ca 0.39 -0.11 -0.06 0.00 3.14 0.00 0.00 58.73 62.09 1jcq h TYR 355 Cb 0.01 -0.12 -0.03 0.00 1.54 0.00 0.00 36.73 38.14 1jcq h TYR 355 CO -0.01 0.69 0.16 -1.49 -1.64 0.00 0.00 178.16 175.87 1jcq h TRP 356 N 0.14 1.02 -0.63 -3.82 4.06 -0.68 -0.97 115.95 115.07 1jcq h TRP 356 Ca 0.05 -0.11 -0.05 0.00 2.06 0.00 0.00 58.89 60.85 1jcq h TRP 356 Cb 0.55 -0.29 -0.03 0.00 -1.00 0.00 0.00 29.16 28.38 1jcq h TRP 356 CO 0.06 0.84 0.20 0.00 -3.56 0.00 0.00 178.44 175.98 1jcq h ARG 357 N 0.94 0.97 -0.48 0.49 2.47 -1.10 -1.12 114.38 116.54 1jcq h ARG 357 Ca 0.20 -0.20 -0.00 0.00 -1.26 0.00 0.00 59.98 58.71 1jcq h ARG 357 Cb 0.33 -0.14 -0.02 0.00 -1.65 0.00 0.00 29.97 28.48 1jcq h ARG 357 CO -0.00 0.85 0.29 -0.92 0.56 0.00 0.00 179.97 180.75 1jcq h TYR 358 N 0.90 0.65 -0.69 3.04 3.20 -0.77 -1.08 116.97 122.21 1jcq h TYR 358 Ca 0.20 -0.01 0.01 0.00 3.14 0.00 0.00 58.73 62.08 1jcq h TYR 358 Cb 0.28 -0.21 -0.03 0.00 1.54 0.00 0.00 36.73 38.31 1jcq h TYR 358 CO 0.02 0.46 0.46 0.82 -1.64 0.00 0.00 178.16 178.28 1jcq h ILE 359 N 0.65 1.17 -0.67 1.81 1.08 -0.77 0.72 117.51 121.50 1jcq h ILE 359 Ca 0.17 -0.32 0.02 0.00 -0.39 0.00 0.00 64.86 64.34 1jcq h ILE 359 Cb 0.01 0.16 -0.04 0.00 -3.07 0.00 0.00 36.82 33.88 1jcq h ILE 359 CO -0.03 0.17 0.43 1.23 -0.69 0.00 0.00 178.15 179.26 1jcq h GLY 360 N 0.94 0.95 1.20 5.37 0.00 -0.85 0.29 103.07 110.97 1jcq h GLY 360 Ca 0.26 -0.33 -0.11 0.00 0.00 0.00 0.00 47.33 47.14 1jcq h GLY 360 CO -0.06 0.30 -0.14 3.21 0.00 0.00 0.00 176.54 179.85 1jcq h ARG 361 N 0.86 0.93 0.07 4.80 3.08 -0.45 -2.61 114.38 121.06 1jcq h ARG 361 Ca 0.26 -0.35 -0.00 0.00 0.07 0.00 0.00 59.98 59.96 1jcq h ARG 361 Cb -0.04 -0.06 -0.00 0.00 0.08 0.00 0.00 29.97 29.96 1jcq h ARG 361 CO -0.08 1.00 -0.04 0.77 -1.07 0.00 0.00 179.97 180.55 1jcq h SER 362 N 0.82 -0.09 -0.99 7.04 0.02 -0.04 -1.63 113.55 118.68 1jcq h SER 362 Ca 0.12 0.00 0.16 0.00 -0.84 0.00 0.00 61.79 61.24 1jcq h SER 362 Cb 0.68 0.03 -0.09 0.00 0.14 0.00 0.00 62.40 63.16 1jcq h SER 362 CO 0.05 -0.06 0.62 -0.07 -1.14 0.00 0.00 176.83 176.22 1jcq h LEU 363 N -0.10 0.80 -0.68 5.07 3.38 -0.91 -1.09 115.31 121.76 1jcq h LEU 363 Ca -0.01 0.07 -0.14 0.00 0.09 0.00 0.00 57.88 57.89 1jcq h LEU 363 Cb 0.08 -0.08 -0.02 0.00 0.09 0.00 0.00 40.66 40.74 1jcq h LEU 363 CO 0.01 0.35 -0.64 1.56 0.09 0.00 0.00 178.44 179.82 1jcq h GLN 364 N 0.81 0.09 0.00 1.13 4.20 -1.00 -0.30 115.11 120.04 1jcq h GLN 364 Ca 0.53 -0.06 -0.05 0.00 0.06 0.00 0.00 58.65 59.13 1jcq h GLN 364 Cb 0.76 0.01 -0.01 0.00 0.30 0.00 0.00 27.48 28.54 1jcq h GLN 364 CO -0.31 0.69 -0.36 0.66 -0.67 0.00 0.00 178.83 178.85 1jcq h SER 365 N 0.06 0.00 0.08 1.46 4.64 -0.36 -3.35 113.55 116.08 1jcq h SER 365 Ca -0.01 0.00 -0.37 0.00 -0.47 0.00 0.00 61.79 60.94 1jcq h SER 365 Cb 1.14 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 63.19 1jcq h SER 365 CO 0.09 0.21 -2.17 0.29 -0.87 0.00 0.00 176.83 174.37 1jcq n LYS 366 N -3.09 0.72 0.00 4.77 5.02 -0.51 -5.11 118.16 119.96 1jcq n LYS 366 Ca 0.02 0.22 0.00 0.00 -2.02 0.00 0.00 58.31 56.53 1jcq n LYS 366 Cb 0.62 -1.64 0.00 0.00 -0.02 0.00 0.00 35.03 33.99 1jcq n LYS 366 CO 0.00 0.00 0.00 0.72 -0.52 0.00 0.00 177.40 177.60