#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1jck s VAL 4 N 0.00 -0.96 0.76 0.00 1.01 -1.25 -2.94 120.40 117.02 1jck s VAL 4 Ca 0.00 -0.04 -0.08 0.00 0.00 0.00 0.00 61.98 61.85 1jck s VAL 4 Cb 0.00 -0.57 0.09 0.00 0.00 0.00 0.00 36.38 35.90 1jck s VAL 4 CO 0.00 -0.03 1.08 0.42 0.00 0.00 0.00 175.10 176.57 1jck s THR 5 N 2.36 2.18 0.04 3.92 -4.23 -0.39 -4.21 115.64 115.30 1jck s THR 5 Ca 0.13 -0.21 -0.08 0.00 -1.18 0.00 0.00 61.69 60.35 1jck s THR 5 Cb -0.08 -2.97 -0.00 0.00 1.34 0.00 0.00 72.50 70.80 1jck s THR 5 CO -0.18 0.00 0.15 -1.10 -0.54 0.00 0.00 174.62 172.96 1jck s GLN 6 N -5.39 0.65 -0.29 3.99 -0.21 -1.26 -2.72 119.66 114.44 1jck s GLN 6 Ca 0.63 -0.69 -0.20 0.00 0.02 0.00 0.00 55.36 55.12 1jck s GLN 6 Cb -0.09 0.26 0.14 0.00 1.00 0.00 0.00 33.01 34.32 1jck s GLN 6 CO 0.47 -0.18 1.03 0.45 -2.12 0.00 0.00 175.29 174.94 1jck s SER 7 N -2.12 -0.45 0.94 5.90 0.15 -1.04 -4.56 113.70 112.53 1jck s SER 7 Ca -0.05 0.77 -0.13 0.00 0.70 0.00 0.00 55.95 57.25 1jck s SER 7 Cb -0.01 1.01 0.16 0.00 -1.71 0.00 0.00 66.02 65.47 1jck s SER 7 CO -0.04 -0.13 1.13 -2.16 1.20 0.00 0.00 173.24 173.24 1jck s PRO 8 N 0.83 0.88 0.00 5.44 0.04 -1.26 0.38 135.00 141.31 1jck s PRO 8 Ca -0.03 0.29 0.23 0.00 0.04 0.00 0.00 61.00 61.53 1jck s PRO 8 Cb -0.04 -1.81 0.15 0.00 0.04 0.00 0.00 34.50 32.84 1jck s PRO 8 CO -0.12 -2.37 1.21 0.54 0.04 0.00 0.00 177.00 176.30 1jck n ARG 9 N -3.89 2.08 -3.64 4.56 5.12 -1.26 -4.66 116.66 114.96 1jck n ARG 9 Ca 0.07 -1.74 -0.07 0.00 -1.93 0.00 0.00 57.85 54.18 1jck n ARG 9 Cb 0.59 -1.45 -0.07 0.00 -1.16 0.00 0.00 32.46 30.37 1jck n ARG 9 CO 0.00 0.00 0.00 -0.80 -1.93 0.00 0.00 177.63 174.90 1jck s ASN 10 N -2.02 -0.61 -0.15 0.55 0.01 -1.26 -2.93 114.94 108.54 1jck s ASN 10 Ca 0.26 1.05 -0.10 0.00 -0.71 0.00 0.00 52.86 53.36 1jck s ASN 10 Cb 0.19 1.17 0.05 0.00 0.41 0.00 0.00 41.25 43.07 1jck s ASN 10 CO 0.33 -0.17 0.38 -0.75 -1.51 0.00 0.00 177.10 175.38 1jck s LYS 11 N 0.95 0.38 -0.30 -0.60 2.47 0.10 -4.93 119.74 117.81 1jck s LYS 11 Ca -0.04 0.69 -0.05 0.00 -1.56 0.00 0.00 55.97 55.01 1jck s LYS 11 Cb -0.04 0.02 0.03 0.00 -1.46 0.00 0.00 37.83 36.38 1jck s LYS 11 CO -0.11 -0.13 0.04 0.08 0.16 0.00 0.00 175.35 175.38 1jck s VAL 12 N 1.08 3.49 0.20 4.02 1.01 -1.26 -1.34 120.40 127.60 1jck s VAL 12 Ca -0.07 -1.02 0.09 0.00 0.00 0.00 0.00 61.98 60.98 1jck s VAL 12 Cb -0.07 -2.89 -0.04 0.00 0.00 0.00 0.00 36.38 33.38 1jck s VAL 12 CO -0.09 -0.00 -0.17 0.00 0.00 0.00 0.00 175.10 174.83 1jck s ALA 13 N 1.39 2.15 0.25 5.51 0.00 -0.47 -4.95 121.76 125.65 1jck s ALA 13 Ca -0.01 -1.62 0.03 0.00 0.00 0.00 0.00 51.96 50.37 1jck s ALA 13 Cb -0.18 -0.17 -0.03 0.00 0.00 0.00 0.00 23.12 22.74 1jck s ALA 13 CO 0.00 0.19 0.39 0.14 0.00 0.00 0.00 175.76 176.49 1jck s VAL 14 N -2.44 5.23 0.55 0.00 -7.23 -1.26 -1.07 120.40 114.17 1jck s VAL 14 Ca 0.21 -0.81 -0.22 0.00 -1.81 0.00 0.00 61.98 59.35 1jck s VAL 14 Cb -0.04 -3.84 -0.05 0.00 0.56 0.00 0.00 36.38 33.01 1jck s VAL 14 CO 0.08 -0.35 1.35 0.41 -0.31 0.00 0.00 175.10 176.29 1jck n THR 15 N -1.36 3.86 0.00 5.32 -1.04 -1.01 -2.26 114.28 117.79 1jck n THR 15 Ca -0.08 -0.50 0.00 0.00 -2.04 0.00 0.00 64.05 61.43 1jck n THR 15 Cb 0.56 -1.66 0.00 0.00 -1.82 0.00 0.00 70.33 67.42 1jck n THR 15 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1jck n GLY 16 N 0.76 2.31 3.88 3.41 0.00 0.28 -4.94 105.19 110.89 1jck n GLY 16 Ca 0.11 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.83 1jck n GLY 16 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1jck s GLY 17 N -1.91 1.91 -0.19 -0.02 0.00 -0.96 -4.53 107.32 101.62 1jck s GLY 17 Ca 0.00 -0.25 -0.13 0.00 0.00 0.00 0.00 44.72 44.34 1jck s GLY 17 CO 0.00 -0.07 0.28 1.25 0.00 0.00 0.00 173.10 174.56 1jck s LYS 18 N -3.88 4.19 0.19 2.90 2.20 -1.16 0.12 119.74 124.29 1jck s LYS 18 Ca 0.50 0.02 0.11 0.00 -0.36 0.00 0.00 55.97 56.24 1jck s LYS 18 Cb -0.10 -3.48 -0.04 0.00 -1.51 0.00 0.00 37.83 32.69 1jck s LYS 18 CO 0.32 0.12 -0.21 0.08 -0.36 0.00 0.00 175.35 175.30 1jck s VAL 19 N 0.84 2.53 -0.06 4.02 1.01 0.12 -4.98 120.40 123.89 1jck s VAL 19 Ca 0.14 -1.93 -0.02 0.00 0.00 0.00 0.00 61.98 60.17 1jck s VAL 19 Cb -0.13 -2.22 0.04 0.00 0.00 0.00 0.00 36.38 34.07 1jck s VAL 19 CO 0.05 -0.10 0.12 -0.89 0.00 0.00 0.00 175.10 174.28 1jck s THR 20 N -1.64 -0.11 -0.13 3.92 2.01 -1.26 -0.97 115.64 117.46 1jck s THR 20 Ca 0.21 0.25 0.02 0.00 0.31 0.00 0.00 61.69 62.49 1jck s THR 20 Cb -0.08 -0.22 0.00 0.00 0.01 0.00 0.00 72.50 72.21 1jck s THR 20 CO 0.11 0.11 -0.20 -0.76 -0.69 0.00 0.00 174.62 173.18 1jck s LEU 21 N 1.53 2.26 0.33 4.42 1.43 -1.09 -4.55 118.68 123.01 1jck s LEU 21 Ca -0.05 -0.53 0.07 0.00 -1.03 0.00 0.00 54.13 52.59 1jck s LEU 21 Cb -0.12 -1.48 -0.01 0.00 0.03 0.00 0.00 46.19 44.61 1jck s LEU 21 CO -0.05 0.11 0.45 -0.44 0.23 0.00 0.00 176.35 176.65 1jck s SER 22 N 0.63 5.90 -0.17 2.29 0.01 0.16 -2.32 113.70 120.19 1jck s SER 22 Ca -0.11 -0.22 -0.07 0.00 1.31 0.00 0.00 55.95 56.87 1jck s SER 22 Cb -0.16 -1.20 0.08 0.00 0.21 0.00 0.00 66.02 64.94 1jck s SER 22 CO 0.03 -0.42 0.37 0.00 0.41 0.00 0.00 173.24 173.63 1jck s GLN 24 N 2.27 2.66 -0.26 0.00 1.11 -1.10 -2.78 119.66 121.56 1jck s GLN 24 Ca -0.03 -0.71 -0.03 0.00 0.01 0.00 0.00 55.36 54.61 1jck s GLN 24 Cb -0.11 -2.59 0.08 0.00 -1.01 0.00 0.00 33.01 29.38 1jck s GLN 24 CO -0.12 0.59 0.09 1.14 0.01 0.00 0.00 175.29 177.01 1jck s GLN 25 N -1.77 0.48 -0.00 2.91 1.03 -0.68 -1.26 119.66 120.36 1jck s GLN 25 Ca 0.21 -0.63 0.00 0.00 0.04 0.00 0.00 55.36 54.98 1jck s GLN 25 Cb -0.11 -1.77 0.01 0.00 0.03 0.00 0.00 33.01 31.17 1jck s GLN 25 CO 0.12 -0.87 0.53 0.25 -2.54 0.00 0.00 175.29 172.78 1jck n THR 26 N 5.07 0.06 0.90 3.63 -2.24 -1.15 -3.58 114.28 116.96 1jck n THR 26 Ca -0.06 -0.02 0.10 0.00 -2.27 0.00 0.00 64.05 61.80 1jck n THR 26 Cb 0.44 -0.50 -0.01 0.00 -2.10 0.00 0.00 70.33 68.16 1jck n THR 26 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 1jck n ASN 27 N 0.02 1.83 -2.91 3.42 3.02 -1.26 -4.55 115.26 114.82 1jck n ASN 27 Ca 0.00 -1.42 -0.21 0.00 -0.03 0.00 0.00 54.58 52.93 1jck n ASN 27 Cb 0.27 0.51 0.04 0.00 -0.61 0.00 0.00 39.78 39.99 1jck n ASN 27 CO 0.00 0.00 0.00 -3.20 -2.62 0.00 0.00 177.26 171.44 1jck n ASN 28 N -0.14 -5.84 -4.85 6.41 5.15 -1.23 -4.98 115.26 109.77 1jck n ASN 28 Ca 0.08 -0.32 -0.32 0.00 -0.60 0.00 0.00 54.58 53.42 1jck n ASN 28 Cb 0.42 -4.62 -0.01 0.00 -0.53 0.00 0.00 39.78 35.04 1jck n ASN 28 CO 0.00 0.00 0.00 -1.00 1.40 0.00 0.00 177.26 177.66 1jck s HIS 29 N -3.17 3.47 -0.13 1.20 3.76 -1.26 -5.00 115.29 114.16 1jck s HIS 29 Ca 0.34 1.40 -0.17 0.00 -0.15 0.00 0.00 55.06 56.49 1jck s HIS 29 Cb -0.15 -2.78 -0.15 0.00 1.11 0.00 0.00 32.58 30.60 1jck s HIS 29 CO 0.42 -0.57 0.43 -0.91 -0.85 0.00 0.00 174.74 173.26 1jck h ASN 30 N 0.36 0.00 -3.88 1.40 4.21 -1.89 -3.47 115.58 112.31 1jck h ASN 30 Ca -0.46 -0.57 -0.50 0.00 1.21 0.00 0.00 56.30 55.99 1jck h ASN 30 Cb 1.19 0.00 0.03 0.00 -1.12 0.00 0.00 38.32 38.42 1jck h ASN 30 CO 0.61 0.81 0.22 0.20 -1.29 0.00 0.00 177.43 177.99 1jck s ASN 31 N -5.96 6.37 -0.03 5.81 -0.87 -1.24 -3.56 114.94 115.46 1jck s ASN 31 Ca -0.12 1.19 -0.15 0.00 -1.57 0.00 0.00 52.86 52.21 1jck s ASN 31 Cb -0.01 -2.36 0.03 0.00 -0.02 0.00 0.00 41.25 38.89 1jck s ASN 31 CO 0.40 -0.61 0.34 -0.04 -2.57 0.00 0.00 177.10 174.62 1jck s MET 32 N -4.54 0.66 0.02 -0.60 -1.94 -1.04 -3.32 119.30 108.54 1jck s MET 32 Ca 0.52 -0.09 0.01 0.00 -1.71 0.00 0.00 55.69 54.43 1jck s MET 32 Cb -0.10 0.30 -0.02 0.00 2.01 0.00 0.00 34.83 37.02 1jck s MET 32 CO 0.42 -0.18 -0.06 0.71 -0.01 0.00 0.00 175.02 175.91 1jck s TYR 33 N -1.14 0.49 -0.33 -0.03 1.51 0.21 -1.72 117.35 116.34 1jck s TYR 33 Ca -0.12 -0.36 0.04 0.00 -1.01 0.00 0.00 57.07 55.62 1jck s TYR 33 Cb -0.05 -0.30 0.10 0.00 -0.11 0.00 0.00 41.96 41.60 1jck s TYR 33 CO 0.04 -0.08 0.04 -1.58 -1.11 0.00 0.00 175.55 172.86 1jck s TRP 34 N -0.96 3.65 0.35 2.71 0.52 -0.37 -1.27 118.94 123.57 1jck s TRP 34 Ca -0.07 -2.91 0.07 0.00 0.02 0.00 0.00 56.10 53.21 1jck s TRP 34 Cb -0.07 -2.81 -0.02 0.00 -1.15 0.00 0.00 33.47 29.42 1jck s TRP 34 CO -0.00 -0.94 0.39 0.71 0.02 0.00 0.00 176.95 177.13 1jck s TYR 35 N 0.94 2.98 -0.12 -1.98 2.02 0.12 -1.12 117.35 120.18 1jck s TYR 35 Ca 0.10 -0.29 -0.04 0.00 -0.37 0.00 0.00 57.07 56.47 1jck s TYR 35 Cb -0.19 -1.95 0.06 0.00 -0.40 0.00 0.00 41.96 39.48 1jck s TYR 35 CO -0.08 0.04 0.16 -0.98 -1.57 0.00 0.00 175.55 173.12 1jck s ARG 36 N -4.11 0.07 -0.09 -0.62 1.70 0.01 -1.11 118.95 114.80 1jck s ARG 36 Ca 0.44 0.40 -0.21 0.00 -0.47 0.00 0.00 55.73 55.89 1jck s ARG 36 Cb -0.08 -0.69 -0.04 0.00 -0.57 0.00 0.00 34.95 33.58 1jck s ARG 36 CO 0.29 -0.43 0.60 -1.14 -1.08 0.00 0.00 175.30 173.54 1jck s GLN 37 N 2.28 4.39 -0.06 3.89 2.00 0.30 -2.14 119.66 130.31 1jck s GLN 37 Ca 0.04 0.69 0.04 0.00 -2.00 0.00 0.00 55.36 54.12 1jck s GLN 37 Cb -0.13 -3.45 0.00 0.00 0.80 0.00 0.00 33.01 30.23 1jck s GLN 37 CO -0.08 0.09 -0.18 -0.51 -0.50 0.00 0.00 175.29 174.11 1jck s ASP 38 N 0.74 2.38 -0.10 6.67 1.01 -1.06 -2.81 116.67 123.51 1jck s ASP 38 Ca 0.32 -0.41 -0.35 0.00 0.71 0.00 0.00 52.55 52.83 1jck s ASP 38 Cb -0.17 -0.88 -0.12 0.00 1.01 0.00 0.00 42.92 42.76 1jck s ASP 38 CO 0.14 0.13 1.84 1.07 0.21 0.00 0.00 175.17 178.57 1jck n THR 39 N 3.39 0.51 0.00 -1.27 5.66 -1.26 -0.06 114.28 121.24 1jck n THR 39 Ca -0.20 -0.09 0.00 0.00 -3.05 0.00 0.00 64.05 60.71 1jck n THR 39 Cb 0.53 -1.75 0.00 0.00 -1.55 0.00 0.00 70.33 67.55 1jck n THR 39 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 1jck n GLY 40 N 4.31 2.96 1.29 1.09 0.00 -1.26 -4.99 105.19 108.59 1jck n GLY 40 Ca 0.23 -0.74 -0.07 0.00 0.00 0.00 0.00 46.02 45.43 1jck n GLY 40 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1jck n HIS 41 N 0.00 -2.11 -2.05 1.61 -0.00 0.91 -5.15 115.22 108.43 1jck n HIS 41 Ca 0.00 -0.74 0.00 0.00 -0.00 0.00 0.00 57.72 56.98 1jck n HIS 41 Cb 0.00 -0.17 0.00 0.00 -0.00 0.00 0.00 29.99 29.82 1jck n HIS 41 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.34 176.75 1jck n GLY 42 N 2.70 3.74 3.61 -1.41 0.00 -1.26 -4.32 105.19 108.26 1jck n GLY 42 Ca 0.03 -1.98 -0.42 0.00 0.00 0.00 0.00 46.02 43.64 1jck n GLY 42 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1jck s LEU 43 N 0.00 4.06 0.00 0.99 2.96 -1.26 -2.55 118.68 122.89 1jck s LEU 43 Ca 0.00 0.67 0.06 0.00 -0.22 0.00 0.00 54.13 54.64 1jck s LEU 43 Cb 0.00 -3.17 -0.03 0.00 0.50 0.00 0.00 46.19 43.50 1jck s LEU 43 CO 0.00 -0.70 -0.18 -0.13 -1.32 0.00 0.00 176.35 174.02 1jck s ARG 44 N 3.15 2.22 -0.23 1.98 0.52 -0.91 -4.95 118.95 120.74 1jck s ARG 44 Ca 0.35 -0.88 -0.21 0.00 -0.52 0.00 0.00 55.73 54.47 1jck s ARG 44 Cb -0.13 -2.23 -0.02 0.00 0.52 0.00 0.00 34.95 33.08 1jck s ARG 44 CO 0.14 0.57 0.66 -1.17 0.02 0.00 0.00 175.30 175.52 1jck s LEU 45 N -1.10 4.10 -0.17 2.53 2.96 -1.26 -0.81 118.68 124.93 1jck s LEU 45 Ca 0.13 0.81 -0.14 0.00 -0.22 0.00 0.00 54.13 54.72 1jck s LEU 45 Cb -0.10 -2.92 -0.08 0.00 0.50 0.00 0.00 46.19 43.58 1jck s LEU 45 CO 0.03 -0.35 -0.10 -0.38 -1.32 0.00 0.00 176.35 174.24 1jck n ILE 46 N 4.97 1.46 -3.73 6.68 5.41 -0.28 -0.06 119.36 133.82 1jck n ILE 46 Ca -0.00 0.11 -0.12 0.00 1.00 0.00 0.00 62.75 63.73 1jck n ILE 46 Cb 0.49 -2.26 -0.07 0.00 -0.71 0.00 0.00 39.64 37.09 1jck n ILE 46 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 176.55 175.55 1jck s HIS 47 N -2.36 -0.17 0.24 1.39 3.76 -1.21 -0.25 115.29 116.69 1jck s HIS 47 Ca -0.22 0.12 -0.07 0.00 -0.15 0.00 0.00 55.06 54.74 1jck s HIS 47 Cb 0.04 0.13 -0.02 0.00 1.11 0.00 0.00 32.58 33.84 1jck s HIS 47 CO 0.36 -0.49 0.36 1.52 -0.85 0.00 0.00 174.74 175.63 1jck s TYR 48 N -2.21 0.72 -0.15 1.40 1.13 -0.42 -1.24 117.35 116.58 1jck s TYR 48 Ca -0.07 -1.02 -0.11 0.00 -1.41 0.00 0.00 57.07 54.45 1jck s TYR 48 Cb -0.02 -0.10 0.05 0.00 -1.10 0.00 0.00 41.96 40.78 1jck s TYR 48 CO -0.01 -0.89 0.39 -1.54 -2.51 0.00 0.00 175.55 171.00 1jck s SER 49 N -3.09 -0.45 0.00 -0.18 1.04 -0.70 -0.31 113.70 110.01 1jck s SER 49 Ca 0.29 0.82 0.28 0.00 0.48 0.00 0.00 55.95 57.83 1jck s SER 49 Cb 0.02 0.77 1.16 0.00 0.10 0.00 0.00 66.02 68.07 1jck s SER 49 CO 0.11 -0.16 1.81 -1.22 0.98 0.00 0.00 173.24 174.76 1jck n TYR 50 N 3.51 0.00 0.00 5.02 4.01 -1.26 -2.51 117.16 125.93 1jck n TYR 50 Ca -0.18 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.56 1jck n TYR 50 Cb 0.56 -0.10 0.00 0.00 -0.31 0.00 0.00 39.34 39.49 1jck n TYR 50 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1jck n GLY 51 N 1.23 2.03 3.66 2.72 0.00 -1.23 -4.49 105.19 109.11 1jck n GLY 51 Ca 0.16 -0.70 -0.56 0.00 0.00 0.00 0.00 46.02 44.92 1jck n GLY 51 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1jck n ALA 52 N -0.52 -0.63 -0.90 4.61 0.00 -1.26 -2.30 120.51 119.50 1jck n ALA 52 Ca 0.00 0.45 0.00 0.00 0.00 0.00 0.00 53.44 53.89 1jck n ALA 52 Cb 0.00 -2.15 0.00 0.00 0.00 0.00 0.00 19.45 17.30 1jck n ALA 52 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1jck n GLY 53 N 3.47 1.17 3.37 0.00 0.00 0.15 -5.02 105.19 108.33 1jck n GLY 53 Ca 0.23 -0.43 -0.11 0.00 0.00 0.00 0.00 46.02 45.71 1jck n GLY 53 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1jck s SER 54 N -2.47 -0.57 -0.27 1.61 0.15 -0.97 -5.04 113.70 106.14 1jck s SER 54 Ca 0.00 1.01 -0.01 0.00 0.70 0.00 0.00 55.95 57.66 1jck s SER 54 Cb 0.00 0.95 0.14 0.00 -1.71 0.00 0.00 66.02 65.41 1jck s SER 54 CO 0.00 -0.19 0.36 0.42 1.20 0.00 0.00 173.24 175.04 1jck s THR 55 N 0.89 -0.56 0.29 6.45 -4.23 -1.26 -4.43 115.64 112.79 1jck s THR 55 Ca -0.05 -0.24 -0.14 0.00 -1.18 0.00 0.00 61.69 60.08 1jck s THR 55 Cb -0.06 -0.91 -0.08 0.00 1.34 0.00 0.00 72.50 72.79 1jck s THR 55 CO -0.07 -0.26 0.68 -1.61 -0.54 0.00 0.00 174.62 172.82 1jck s GLU 56 N 2.50 3.96 0.24 3.99 2.02 0.58 -4.89 118.70 127.10 1jck s GLU 56 Ca 0.11 0.57 -0.30 0.00 0.02 0.00 0.00 54.97 55.37 1jck s GLU 56 Cb -0.14 -2.52 -0.09 0.00 0.10 0.00 0.00 34.13 31.48 1jck s GLU 56 CO -0.25 0.22 1.19 0.15 0.02 0.00 0.00 175.26 176.59 1jck s LYS 57 N -2.87 4.52 0.00 1.61 1.02 -1.26 -1.30 119.74 121.45 1jck s LYS 57 Ca 0.52 1.91 0.00 0.00 0.02 0.00 0.00 55.97 58.41 1jck s LYS 57 Cb -0.11 -3.20 0.00 0.00 -0.52 0.00 0.00 37.83 34.00 1jck s LYS 57 CO 0.19 -0.01 0.00 0.41 -0.92 0.00 0.00 175.35 175.01 1jck n GLY 58 N 1.69 1.77 0.17 -3.33 0.00 0.65 -4.79 105.19 101.35 1jck n GLY 58 Ca 0.02 -2.00 -0.04 0.00 0.00 0.00 0.00 46.02 43.99 1jck n GLY 58 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1jck h ASP 59 N 0.00 -0.23 -3.54 1.61 3.32 -0.67 -3.34 116.42 113.57 1jck h ASP 59 Ca 0.00 0.10 -0.62 0.00 0.02 0.00 0.00 57.03 56.53 1jck h ASP 59 Cb 0.00 0.19 -0.41 0.00 0.22 0.00 0.00 39.33 39.33 1jck h ASP 59 CO 0.00 -0.07 -0.69 0.27 -1.72 0.00 0.00 179.24 177.03 1jck s ILE 60 N -6.19 2.02 0.01 0.35 -4.36 -0.11 -4.93 121.20 107.99 1jck s ILE 60 Ca -0.14 -3.22 -0.04 0.00 -0.26 0.00 0.00 60.65 56.99 1jck s ILE 60 Cb 0.14 -2.38 -0.28 0.00 1.25 0.00 0.00 42.46 41.19 1jck s ILE 60 CO 0.71 -0.93 0.89 -0.65 0.24 0.00 0.00 174.94 175.21 1jck h PRO 61 N 6.22 0.26 -3.64 0.37 0.11 -1.68 -3.37 132.00 130.27 1jck h PRO 61 Ca 0.04 -0.45 -0.50 0.00 0.11 0.00 0.00 66.00 65.20 1jck h PRO 61 Cb 0.87 0.17 0.02 0.00 0.11 0.00 0.00 31.00 32.17 1jck h PRO 61 CO 0.59 1.14 0.17 -0.25 -0.21 0.00 0.00 178.00 179.44 1jck n ASP 62 N -3.47 0.25 0.00 -2.05 8.00 -1.26 -1.00 116.55 117.02 1jck n ASP 62 Ca -0.15 0.71 0.00 0.00 0.71 0.00 0.00 54.79 56.06 1jck n ASP 62 Cb 1.04 -0.55 0.00 0.00 -0.02 0.00 0.00 41.12 41.59 1jck n ASP 62 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1jck n GLY 63 N 1.44 2.79 3.79 0.44 0.00 -1.26 -4.99 105.19 107.41 1jck n GLY 63 Ca 0.14 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.85 1jck n GLY 63 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1jck s TYR 65 N -1.12 3.26 0.42 1.61 1.51 -0.17 -4.04 117.35 118.82 1jck s TYR 65 Ca 0.00 0.14 0.07 0.00 -1.01 0.00 0.00 57.07 56.26 1jck s TYR 65 Cb 0.00 -1.67 -0.07 0.00 -0.11 0.00 0.00 41.96 40.11 1jck s TYR 65 CO 0.00 0.54 0.04 0.15 -1.11 0.00 0.00 175.55 175.17 1jck s LYS 66 N -2.22 2.02 0.20 -0.62 1.02 0.22 -4.94 119.74 115.42 1jck s LYS 66 Ca 0.28 -2.09 -0.18 0.00 0.02 0.00 0.00 55.97 54.00 1jck s LYS 66 Cb -0.12 -1.68 0.03 0.00 -0.52 0.00 0.00 37.83 35.53 1jck s LYS 66 CO 0.20 -0.09 0.54 0.00 -0.92 0.00 0.00 175.35 175.09 1jck s ALA 67 N -2.71 -1.00 -0.08 5.17 0.00 -1.26 0.05 121.76 121.93 1jck s ALA 67 Ca 0.34 -0.19 -0.14 0.00 0.00 0.00 0.00 51.96 51.97 1jck s ALA 67 Cb 0.08 0.86 0.03 0.00 0.00 0.00 0.00 23.12 24.09 1jck s ALA 67 CO 0.18 -0.82 0.35 -1.54 0.00 0.00 0.00 175.76 173.92 1jck s SER 68 N -2.87 -0.30 -0.55 0.00 1.04 -0.61 -4.92 113.70 105.49 1jck s SER 68 Ca 0.09 0.44 0.07 0.00 0.48 0.00 0.00 55.95 57.03 1jck s SER 68 Cb -0.01 0.55 0.24 0.00 0.10 0.00 0.00 66.02 66.90 1jck s SER 68 CO -0.03 -0.28 0.65 -1.14 0.98 0.00 0.00 173.24 173.42 1jck n ARG 69 N 2.13 1.79 0.12 4.02 3.00 -1.26 -1.19 116.66 125.26 1jck n ARG 69 Ca -0.17 -4.11 0.00 0.00 -0.00 0.00 0.00 57.85 53.58 1jck n ARG 69 Cb 0.57 -1.87 0.30 0.00 0.00 0.00 0.00 32.46 31.46 1jck n ARG 69 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.63 176.63 1jck h PRO 70 N 4.20 0.19 -5.02 -0.14 0.13 -1.96 0.43 132.00 129.83 1jck h PRO 70 Ca 0.15 -0.07 -0.47 0.00 -0.87 0.00 0.00 66.00 64.74 1jck h PRO 70 Cb 0.75 -0.01 -0.14 0.00 0.13 0.00 0.00 31.00 31.73 1jck h PRO 70 CO 0.69 0.49 -0.56 0.45 -0.23 0.00 0.00 178.00 178.84 1jck s SER 71 N -6.89 2.15 0.09 1.44 0.15 -1.25 -4.78 113.70 104.61 1jck s SER 71 Ca -0.04 -1.55 -0.01 0.00 0.70 0.00 0.00 55.95 55.05 1jck s SER 71 Cb 0.14 0.31 -0.24 0.00 -1.71 0.00 0.00 66.02 64.52 1jck s SER 71 CO 0.75 -0.83 1.20 -0.61 1.20 0.00 0.00 173.24 174.95 1jck h GLN 72 N 2.05 0.20 0.00 5.44 4.15 -1.96 -3.30 115.11 121.69 1jck h GLN 72 Ca -0.36 -0.32 -0.09 0.00 0.77 0.00 0.00 58.65 58.65 1jck h GLN 72 Cb 1.26 0.12 -0.01 0.00 0.21 0.00 0.00 27.48 29.05 1jck h GLN 72 CO 0.58 1.14 -0.43 0.93 -1.93 0.00 0.00 178.83 179.12 1jck h GLU 73 N 0.06 0.00 -6.49 1.69 3.07 -1.90 -3.46 114.58 107.55 1jck h GLU 73 Ca -0.09 0.00 -0.69 0.00 -0.50 0.00 0.00 59.36 58.08 1jck h GLU 73 Cb 1.88 0.00 -0.23 0.00 -0.84 0.00 0.00 28.75 29.56 1jck h GLU 73 CO 0.18 0.43 -0.80 -1.14 -1.40 0.00 0.00 179.01 176.28 1jck s GLN 74 N -3.44 2.22 -0.04 2.33 0.74 -1.24 -1.69 119.66 118.55 1jck s GLN 74 Ca 0.01 -0.88 -0.01 0.00 0.05 0.00 0.00 55.36 54.52 1jck s GLN 74 Cb 0.10 -2.24 0.03 0.00 1.10 0.00 0.00 33.01 32.00 1jck s GLN 74 CO 0.70 0.57 0.07 0.12 -0.55 0.00 0.00 175.29 176.20 1jck s PHE 75 N -0.85 -0.02 -0.07 1.67 5.36 -1.12 -3.92 117.98 119.04 1jck s PHE 75 Ca 0.13 0.25 0.00 0.00 -0.96 0.00 0.00 56.93 56.35 1jck s PHE 75 Cb -0.11 -0.24 0.02 0.00 -0.34 0.00 0.00 43.02 42.36 1jck s PHE 75 CO 0.04 -0.13 -0.06 -1.12 -1.46 0.00 0.00 175.22 172.49 1jck s SER 76 N 1.29 1.59 -0.11 6.13 0.01 -0.34 -2.39 113.70 119.88 1jck s SER 76 Ca -0.07 -0.20 -0.23 0.00 1.31 0.00 0.00 55.95 56.76 1jck s SER 76 Cb -0.13 -0.63 -0.03 0.00 0.21 0.00 0.00 66.02 65.45 1jck s SER 76 CO -0.04 -0.09 0.71 -0.22 0.41 0.00 0.00 173.24 174.02 1jck s LEU 77 N 1.33 4.25 -0.15 2.44 2.96 -0.98 -1.57 118.68 126.96 1jck s LEU 77 Ca -0.04 1.11 -0.02 0.00 -0.22 0.00 0.00 54.13 54.97 1jck s LEU 77 Cb -0.14 -3.07 -0.02 0.00 0.50 0.00 0.00 46.19 43.46 1jck s LEU 77 CO -0.03 -0.20 -0.08 -0.63 -1.32 0.00 0.00 176.35 174.09 1jck s ILE 78 N 1.29 3.49 -0.44 6.68 1.01 0.11 -2.67 121.20 130.67 1jck s ILE 78 Ca 0.36 -0.50 -0.07 0.00 0.00 0.00 0.00 60.65 60.44 1jck s ILE 78 Cb -0.17 -2.51 0.11 0.00 0.01 0.00 0.00 42.46 39.89 1jck s ILE 78 CO 0.15 0.50 0.28 -0.76 0.00 0.00 0.00 174.94 175.11 1jck s LEU 79 N 0.46 5.41 -0.00 2.97 1.02 -0.14 -0.61 118.68 127.77 1jck s LEU 79 Ca -0.06 -1.82 -0.20 0.00 0.02 0.00 0.00 54.13 52.07 1jck s LEU 79 Cb -0.15 -1.95 -0.11 0.00 0.02 0.00 0.00 46.19 44.00 1jck s LEU 79 CO 0.04 -0.61 0.90 -0.33 0.02 0.00 0.00 176.35 176.37 1jck h GLU 80 N 8.33 -0.69 -3.20 1.70 4.39 -1.82 0.35 114.58 123.64 1jck h GLU 80 Ca -0.20 0.05 -0.71 0.00 0.34 0.00 0.00 59.36 58.84 1jck h GLU 80 Cb 1.07 0.16 -0.35 0.00 -0.10 0.00 0.00 28.75 29.53 1jck h GLU 80 CO 0.79 -0.46 -0.01 1.28 -1.16 0.00 0.00 179.01 179.45 1jck n LEU 81 N -4.88 4.48 -4.62 1.33 7.99 -1.26 -3.01 117.00 117.03 1jck n LEU 81 Ca -0.09 -5.16 -0.48 0.00 -0.01 0.00 0.00 56.01 50.27 1jck n LEU 81 Cb 0.28 -1.11 -0.04 0.00 -0.11 0.00 0.00 43.42 42.45 1jck n LEU 81 CO 0.21 1.60 0.90 0.00 -1.51 0.00 0.00 177.39 178.60 1jck n ALA 82 N 2.10 0.04 -2.41 -1.18 0.00 0.12 -4.60 120.51 114.57 1jck n ALA 82 Ca 0.23 0.45 -0.21 0.00 0.00 0.00 0.00 53.44 53.91 1jck n ALA 82 Cb 0.37 -2.15 -0.09 0.00 0.00 0.00 0.00 19.45 17.57 1jck n ALA 82 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 1jck s THR 83 N 0.09 0.68 0.24 0.00 -4.23 -1.26 0.98 115.64 112.14 1jck s THR 83 Ca 0.74 -2.00 -0.06 0.00 -1.18 0.00 0.00 61.69 59.19 1jck s THR 83 Cb -0.78 -2.57 0.22 0.00 1.34 0.00 0.00 72.50 70.71 1jck s THR 83 CO 0.49 0.00 1.87 -0.65 -0.54 0.00 0.00 174.62 175.79 1jck h PRO 84 N 2.10 1.02 -1.03 3.99 0.11 -1.94 -2.59 132.00 133.66 1jck h PRO 84 Ca -0.37 -0.06 0.30 0.00 0.11 0.00 0.00 66.00 65.98 1jck h PRO 84 Cb 1.25 -0.23 -0.04 0.00 0.11 0.00 0.00 31.00 32.09 1jck h PRO 84 CO 0.60 0.67 0.79 0.77 -0.21 0.00 0.00 178.00 180.63 1jck h SER 85 N 1.05 0.00 -0.28 -2.05 0.02 -1.96 0.11 113.55 110.44 1jck h SER 85 Ca 0.37 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.32 1jck h SER 85 Cb 0.09 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.63 1jck h SER 85 CO -0.15 0.00 0.00 0.00 -1.14 0.00 0.00 176.83 175.54 1jck n GLN 86 N -4.06 1.75 -2.26 3.45 6.02 -0.98 -4.79 117.38 116.52 1jck n GLN 86 Ca 0.22 -1.05 -0.43 0.00 -0.01 0.00 0.00 57.00 55.73 1jck n GLN 86 Cb 1.14 -1.28 -0.02 0.00 1.02 0.00 0.00 30.24 31.10 1jck n GLN 86 CO 0.00 0.00 0.00 0.99 -1.01 0.00 0.00 177.06 177.04 1jck s THR 87 N -1.62 3.77 0.00 5.09 2.01 0.38 -4.81 115.64 120.46 1jck s THR 87 Ca 0.19 0.77 0.00 0.00 0.31 0.00 0.00 61.69 62.96 1jck s THR 87 Cb 0.11 -4.09 0.00 0.00 0.01 0.00 0.00 72.50 68.53 1jck s THR 87 CO 0.12 -0.72 0.00 -0.24 -0.69 0.00 0.00 174.62 173.09 1jck n SER 88 N 9.37 0.00 -4.07 3.53 2.88 -0.89 -5.01 113.62 119.42 1jck n SER 88 Ca 0.18 -0.69 -0.32 0.00 -1.33 0.00 0.00 58.87 56.70 1jck n SER 88 Cb 0.48 0.00 -0.16 0.00 -0.75 0.00 0.00 64.21 63.78 1jck n SER 88 CO 0.00 0.00 0.00 -0.69 -1.23 0.00 0.00 175.04 173.12 1jck s VAL 89 N -2.65 1.97 -0.22 2.46 1.01 -1.12 -2.07 120.40 119.77 1jck s VAL 89 Ca 0.00 -1.17 -0.19 0.00 0.00 0.00 0.00 61.98 60.63 1jck s VAL 89 Cb 0.00 -1.94 -0.03 0.00 0.00 0.00 0.00 36.38 34.41 1jck s VAL 89 CO 0.00 0.26 0.55 -0.31 0.00 0.00 0.00 175.10 175.60 1jck s TYR 90 N 1.26 3.33 -0.12 5.22 1.51 0.46 -0.54 117.35 128.48 1jck s TYR 90 Ca -0.01 0.76 -0.02 0.00 -1.01 0.00 0.00 57.07 56.80 1jck s TYR 90 Cb -0.16 -2.73 -0.03 0.00 -0.11 0.00 0.00 41.96 38.94 1jck s TYR 90 CO -0.09 -0.19 -0.06 -0.06 -1.11 0.00 0.00 175.55 174.03 1jck s PHE 91 N 1.99 2.97 -0.05 2.71 0.08 -0.27 -0.74 117.98 124.66 1jck s PHE 91 Ca 0.24 -0.21 0.02 0.00 0.12 0.00 0.00 56.93 57.10 1jck s PHE 91 Cb -0.16 -1.85 -0.03 0.00 -0.57 0.00 0.00 43.02 40.42 1jck s PHE 91 CO 0.09 0.09 -0.10 0.00 -0.10 0.00 0.00 175.22 175.21 1jck s ALA 93 N -0.81 0.84 0.00 0.00 0.00 -0.39 0.11 121.76 121.51 1jck s ALA 93 Ca 0.13 -0.39 0.00 0.00 0.00 0.00 0.00 51.96 51.70 1jck s ALA 93 Cb -0.11 -0.25 0.00 0.00 0.00 0.00 0.00 23.12 22.76 1jck s ALA 93 CO 0.02 0.18 0.00 0.45 0.00 0.00 0.00 175.76 176.41 1jck n SER 94 N 3.02 0.64 0.00 0.00 2.88 0.02 0.66 113.62 120.84 1jck n SER 94 Ca -0.15 -0.83 0.00 0.00 -1.33 0.00 0.00 58.87 56.55 1jck n SER 94 Cb 0.56 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 64.02 1jck n SER 94 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1jck n GLY 95 N 5.00 0.01 2.56 0.46 0.00 -1.21 -2.02 105.19 110.00 1jck n GLY 95 Ca 0.00 -1.68 -0.22 0.00 0.00 0.00 0.00 46.02 44.12 1jck n GLY 95 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1jck n GLY 96 N 0.00 -2.92 3.53 -0.02 0.00 -0.85 -3.64 105.19 101.28 1jck n GLY 96 Ca 0.00 -1.44 -0.34 0.00 0.00 0.00 0.00 46.02 44.23 1jck n GLY 96 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1jck n GLY 97 N -3.18 -1.14 3.54 -0.02 0.00 -1.26 -4.71 105.19 98.42 1jck n GLY 97 Ca 0.11 -0.52 -0.40 0.00 0.00 0.00 0.00 46.02 45.20 1jck n GLY 97 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 1jck n ARG 98 N -1.89 0.91 -0.75 1.61 0.63 -1.26 -1.28 116.66 114.63 1jck n ARG 98 Ca 0.10 0.34 0.00 0.00 -0.92 0.00 0.00 57.85 57.37 1jck n ARG 98 Cb 0.51 -1.85 0.00 0.00 0.45 0.00 0.00 32.46 31.57 1jck n ARG 98 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 1jck n GLY 99 N 1.47 0.00 2.80 5.14 0.00 -1.26 -4.84 105.19 108.50 1jck n GLY 99 Ca 0.11 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.79 1jck n GLY 99 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1jck n SER 100 N -0.47 4.64 0.09 1.61 2.88 -0.40 -4.91 113.62 117.06 1jck n SER 100 Ca 0.00 -3.34 0.13 0.00 -1.33 0.00 0.00 58.87 54.33 1jck n SER 100 Cb 0.27 -0.96 0.62 0.00 -0.75 0.00 0.00 64.21 63.40 1jck n SER 100 CO 0.00 0.00 0.00 1.88 -1.23 0.00 0.00 175.04 175.69 1jck h TYR 101 N 5.10 0.10 0.00 0.66 0.05 -1.89 -2.60 116.97 118.39 1jck h TYR 101 Ca 0.19 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.97 1jck h TYR 101 Cb 0.69 -0.03 0.00 0.00 1.01 0.00 0.00 36.73 38.40 1jck h TYR 101 CO 0.80 0.05 0.07 0.00 -1.05 0.00 0.00 178.16 178.03 1jck n ALA 102 N -2.57 0.95 0.11 3.88 0.00 -1.26 -1.83 120.51 119.79 1jck n ALA 102 Ca 0.04 0.17 0.01 0.00 0.00 0.00 0.00 53.44 53.67 1jck n ALA 102 Cb 0.33 -1.18 0.00 0.00 0.00 0.00 0.00 19.45 18.60 1jck n ALA 102 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1jck n GLU 105 N -2.16 1.58 -2.91 0.00 1.02 -0.98 -5.04 120.64 112.15 1jck n GLU 105 Ca -0.01 -0.45 -0.32 0.00 -0.02 0.00 0.00 57.16 56.36 1jck n GLU 105 Cb 0.09 -0.91 -0.05 0.00 -0.02 0.00 0.00 31.44 30.55 1jck n GLU 105 CO 0.00 0.00 0.00 -0.65 1.18 0.00 0.00 177.13 177.66 1jck s GLN 106 N -0.55 4.00 -0.28 3.49 -0.21 -0.76 -2.01 119.66 123.34 1jck s GLN 106 Ca 0.02 0.77 0.03 0.00 0.02 0.00 0.00 55.36 56.20 1jck s GLN 106 Cb 0.02 -2.33 0.07 0.00 1.00 0.00 0.00 33.01 31.77 1jck s GLN 106 CO 0.06 0.02 -0.07 -0.06 -2.12 0.00 0.00 175.29 173.11 1jck s PHE 107 N -2.19 3.38 0.64 0.91 0.40 -0.85 -4.93 117.98 115.33 1jck s PHE 107 Ca 0.56 -2.47 -0.13 0.00 -0.60 0.00 0.00 56.93 54.29 1jck s PHE 107 Cb -0.10 -2.17 -0.02 0.00 0.51 0.00 0.00 43.02 41.24 1jck s PHE 107 CO 0.21 -0.89 1.05 -0.06 0.70 0.00 0.00 175.22 176.23 1jck s PHE 108 N 1.06 3.09 0.38 0.36 0.40 -1.26 -0.80 117.98 121.22 1jck s PHE 108 Ca -0.04 1.46 0.07 0.00 -0.60 0.00 0.00 56.93 57.82 1jck s PHE 108 Cb -0.20 -2.93 -0.00 0.00 0.51 0.00 0.00 43.02 40.40 1jck s PHE 108 CO -0.06 -1.11 0.48 0.20 0.70 0.00 0.00 175.22 175.43 1jck s GLY 109 N -3.29 1.86 0.30 4.36 0.00 0.12 -4.72 107.32 105.94 1jck s GLY 109 Ca 0.61 -1.64 0.05 0.00 0.00 0.00 0.00 44.72 43.73 1jck s GLY 109 CO 0.45 -1.50 1.77 -0.56 0.00 0.00 0.00 173.10 173.27 1jck h PRO 110 N 0.84 0.73 0.00 2.90 0.13 -1.88 -3.43 132.00 131.29 1jck h PRO 110 Ca -0.42 -0.04 0.00 0.00 -0.87 0.00 0.00 66.00 64.66 1jck h PRO 110 Cb 1.27 -0.16 0.00 0.00 0.13 0.00 0.00 31.00 32.23 1jck h PRO 110 CO 0.51 0.48 0.00 0.41 -0.23 0.00 0.00 178.00 179.17 1jck n GLY 111 N -1.33 2.87 3.23 1.56 0.00 -1.26 -5.05 105.19 105.21 1jck n GLY 111 Ca 0.22 -1.55 -0.32 0.00 0.00 0.00 0.00 46.02 44.37 1jck n GLY 111 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1jck s THR 112 N -1.00 2.28 -0.30 2.61 2.01 0.08 -4.79 115.64 116.52 1jck s THR 112 Ca 0.00 -0.92 -0.14 0.00 0.31 0.00 0.00 61.69 60.93 1jck s THR 112 Cb 0.00 -1.91 -0.03 0.00 0.01 0.00 0.00 72.50 70.57 1jck s THR 112 CO 0.00 0.54 0.34 -0.13 -0.69 0.00 0.00 174.62 174.69 1jck s ARG 113 N 0.57 3.81 -0.10 4.92 0.52 -1.15 -0.40 118.95 127.12 1jck s ARG 113 Ca -0.12 -0.21 0.03 0.00 -0.52 0.00 0.00 55.73 54.91 1jck s ARG 113 Cb -0.17 -3.72 0.01 0.00 0.52 0.00 0.00 34.95 31.59 1jck s ARG 113 CO 0.04 -0.37 -0.19 -1.17 0.02 0.00 0.00 175.30 173.63 1jck s LEU 114 N 2.00 1.91 -0.17 2.53 2.96 -0.88 0.02 118.68 127.06 1jck s LEU 114 Ca 0.12 -0.48 0.01 0.00 -0.22 0.00 0.00 54.13 53.56 1jck s LEU 114 Cb -0.16 -1.22 0.03 0.00 0.50 0.00 0.00 46.19 45.34 1jck s LEU 114 CO 0.11 0.08 -0.13 -0.89 -1.32 0.00 0.00 176.35 174.20 1jck s THR 115 N 0.67 1.63 -0.91 3.68 2.01 -0.45 -2.10 115.64 120.17 1jck s THR 115 Ca -0.13 -0.77 -0.13 0.00 0.31 0.00 0.00 61.69 60.98 1jck s THR 115 Cb -0.16 -1.58 0.23 0.00 0.01 0.00 0.00 72.50 71.00 1jck s THR 115 CO 0.03 0.38 0.88 -0.69 -0.69 0.00 0.00 174.62 174.53 1jck s VAL 116 N 1.44 5.66 0.39 3.82 1.01 -1.26 -1.36 120.40 130.10 1jck s VAL 116 Ca 0.03 -2.66 -0.02 0.00 0.00 0.00 0.00 61.98 59.32 1jck s VAL 116 Cb -0.14 -4.53 -0.04 0.00 0.00 0.00 0.00 36.38 31.68 1jck s VAL 116 CO -0.10 -1.10 0.63 -1.48 0.00 0.00 0.00 175.10 173.05 1jck s LEU 116 N -0.03 3.88 0.13 3.92 0.05 -0.24 -3.94 118.68 122.46 1jck s LEU 116 Ca 0.22 0.66 -0.20 0.00 0.05 0.00 0.00 54.13 54.87 1jck s LEU 116 Cb -0.10 -3.55 -0.02 0.00 -2.05 0.00 0.00 46.19 40.47 1jck s LEU 116 CO -0.09 -0.38 1.71 -0.33 -0.55 0.00 0.00 176.35 176.71 1jck h GLU 117 N 0.71 0.03 -2.57 1.48 3.07 -1.96 -2.69 114.58 112.66 1jck h GLU 117 Ca -0.48 -0.00 -0.10 0.00 -0.50 0.00 0.00 59.36 58.27 1jck h GLU 117 Cb 1.21 -0.01 -0.26 0.00 -0.84 0.00 0.00 28.75 28.86 1jck h GLU 117 CO 0.62 0.02 -0.25 0.16 -1.40 0.00 0.00 179.01 178.16 1jck s ASP 118 N -5.22 -0.56 0.00 1.42 1.47 -1.26 -4.53 116.67 107.99 1jck s ASP 118 Ca -0.13 0.97 0.00 0.00 1.18 0.00 0.00 52.55 54.56 1jck s ASP 118 Cb 0.10 0.85 0.00 0.00 -0.34 0.00 0.00 42.92 43.54 1jck s ASP 118 CO 0.69 -0.20 0.44 0.18 0.68 0.00 0.00 175.17 176.96 1jck n LEU 119 N 4.17 0.00 -0.15 2.11 4.77 -1.26 -2.43 117.00 124.21 1jck n LEU 119 Ca -0.22 0.07 0.14 0.00 -0.03 0.00 0.00 56.01 55.96 1jck n LEU 119 Cb 0.56 -0.07 0.72 0.00 -2.33 0.00 0.00 43.42 42.29 1jck n LEU 119 CO 0.07 -0.07 0.97 0.54 -1.33 0.00 0.00 177.39 177.57 1jck n ARG 120 N -0.94 1.21 0.10 3.23 1.74 -1.26 -3.27 116.66 117.47 1jck n ARG 120 Ca 0.00 -0.31 0.12 0.00 -0.77 0.00 0.00 57.85 56.89 1jck n ARG 120 Cb 0.04 -1.44 0.11 0.00 -1.02 0.00 0.00 32.46 30.15 1jck n ARG 120 CO 0.00 0.00 0.00 1.96 -1.52 0.00 0.00 177.63 178.07 1jck h GLN 121 N 0.71 0.00 -6.30 5.56 4.20 -1.87 -3.45 115.11 113.96 1jck h GLN 121 Ca 0.00 0.00 -0.57 0.00 0.06 0.00 0.00 58.65 58.14 1jck h GLN 121 Cb 0.15 0.00 -0.03 0.00 0.30 0.00 0.00 27.48 27.90 1jck h GLN 121 CO 0.00 0.00 1.20 0.08 -0.67 0.00 0.00 178.83 179.44 1jck s VAL 122 N -3.25 3.59 -0.06 -0.54 1.01 -1.20 -4.60 120.40 115.36 1jck s VAL 122 Ca 0.04 0.64 0.04 0.00 0.00 0.00 0.00 61.98 62.69 1jck s VAL 122 Cb 0.11 -3.70 0.00 0.00 0.00 0.00 0.00 36.38 32.79 1jck s VAL 122 CO 0.74 -0.38 -0.16 -0.89 0.00 0.00 0.00 175.10 174.41 1jck s THR 123 N 6.00 1.41 0.93 3.92 2.01 0.86 -4.91 115.64 125.86 1jck s THR 123 Ca 0.75 -0.67 -0.12 0.00 0.31 0.00 0.00 61.69 61.96 1jck s THR 123 Cb -0.23 -1.24 0.15 0.00 0.01 0.00 0.00 72.50 71.19 1jck s THR 123 CO 0.32 0.41 1.09 -2.84 -0.69 0.00 0.00 174.62 172.91 1jck s PRO 124 N 0.30 1.01 0.44 4.92 0.02 -1.26 -1.67 135.00 138.75 1jck s PRO 124 Ca -0.10 0.83 0.02 0.00 0.02 0.00 0.00 61.00 61.77 1jck s PRO 124 Cb -0.14 -1.78 0.00 0.00 0.02 0.00 0.00 34.50 32.60 1jck s PRO 124 CO 0.04 -2.42 0.64 -1.25 -0.33 0.00 0.00 177.00 173.68 1jck s PRO 125 N -4.89 2.98 -0.08 5.54 0.04 -1.26 -4.40 135.00 132.93 1jck s PRO 125 Ca 0.64 -0.67 -0.05 0.00 0.04 0.00 0.00 61.00 60.96 1jck s PRO 125 Cb -0.19 -2.61 -0.04 0.00 0.04 0.00 0.00 34.50 31.71 1jck s PRO 125 CO 0.58 -0.28 0.15 0.21 0.04 0.00 0.00 177.00 177.70 1jck s LYS 126 N -4.51 3.41 -0.06 4.56 2.20 -0.21 -4.91 119.74 120.22 1jck s LYS 126 Ca 0.49 -0.21 0.01 0.00 -0.36 0.00 0.00 55.97 55.90 1jck s LYS 126 Cb -0.10 -3.13 0.02 0.00 -1.51 0.00 0.00 37.83 33.11 1jck s LYS 126 CO 0.36 0.74 -0.06 0.08 -0.36 0.00 0.00 175.35 176.11 1jck s VAL 127 N -1.12 0.74 0.13 4.02 1.01 -1.26 -0.40 120.40 123.51 1jck s VAL 127 Ca 0.19 -0.20 0.03 0.00 0.00 0.00 0.00 61.98 62.00 1jck s VAL 127 Cb -0.12 -0.76 -0.04 0.00 0.00 0.00 0.00 36.38 35.46 1jck s VAL 127 CO 0.09 0.29 -0.08 -0.44 0.00 0.00 0.00 175.10 174.95 1jck s SER 128 N 1.14 1.47 -0.06 3.32 0.01 -1.07 -4.62 113.70 113.88 1jck s SER 128 Ca -0.07 -1.01 0.03 0.00 1.31 0.00 0.00 55.95 56.21 1jck s SER 128 Cb -0.14 0.04 -0.02 0.00 0.21 0.00 0.00 66.02 66.11 1jck s SER 128 CO -0.01 -0.40 -0.15 -0.76 0.41 0.00 0.00 173.24 172.33 1jck s LEU 129 N -3.11 2.67 0.22 2.44 1.43 -1.25 -0.91 118.68 120.17 1jck s LEU 129 Ca 0.15 -0.25 -0.02 0.00 -1.03 0.00 0.00 54.13 52.98 1jck s LEU 129 Cb 0.04 -1.55 -0.03 0.00 0.03 0.00 0.00 46.19 44.68 1jck s LEU 129 CO -0.02 0.31 0.21 -0.36 0.23 0.00 0.00 176.35 176.72 1jck s PHE 130 N -0.51 1.08 -0.08 0.29 0.08 0.44 -4.95 117.98 114.34 1jck s PHE 130 Ca 0.07 -1.30 0.02 0.00 0.12 0.00 0.00 56.93 55.84 1jck s PHE 130 Cb -0.12 -0.44 0.01 0.00 -0.57 0.00 0.00 43.02 41.90 1jck s PHE 130 CO 0.01 -0.73 -0.14 -1.21 -0.10 0.00 0.00 175.22 173.06 1jck s GLU 131 N -4.05 1.91 0.00 0.44 2.02 -1.26 -0.47 118.70 117.28 1jck s GLU 131 Ca 0.36 -0.47 0.00 0.00 0.02 0.00 0.00 54.97 54.88 1jck s GLU 131 Cb 0.05 -1.58 0.00 0.00 0.10 0.00 0.00 34.13 32.70 1jck s GLU 131 CO 0.13 0.01 0.00 -2.30 0.02 0.00 0.00 175.26 173.12 1jck n PRO 132 N 3.90 0.41 -3.72 0.39 -0.02 -1.26 -4.99 135.00 129.71 1jck n PRO 132 Ca -0.21 0.00 -0.26 0.00 -2.02 0.00 0.00 63.50 61.01 1jck n PRO 132 Cb 0.52 0.00 -0.17 0.00 -0.02 0.00 0.00 33.50 33.83 1jck n PRO 132 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 1jck s SER 133 N -1.22 2.36 0.49 2.55 0.15 -1.26 -5.00 113.70 111.76 1jck s SER 133 Ca 0.00 -0.53 0.14 0.00 0.70 0.00 0.00 55.95 56.26 1jck s SER 133 Cb 0.00 -0.48 1.15 0.00 -1.71 0.00 0.00 66.02 64.99 1jck s SER 133 CO 0.00 -0.28 2.10 0.07 1.20 0.00 0.00 173.24 176.33 1jck h LYS 134 N 8.30 0.17 0.00 5.44 -0.00 -1.94 -1.52 116.57 127.03 1jck h LYS 134 Ca -0.17 -0.01 0.00 0.00 -0.00 0.00 0.00 60.65 60.47 1jck h LYS 134 Cb 1.13 -0.04 0.00 0.00 -0.00 0.00 0.00 32.23 33.32 1jck h LYS 134 CO 0.30 0.11 0.00 0.00 -0.00 0.00 0.00 179.45 179.86 1jck n ALA 135 N -2.53 1.36 0.30 0.07 0.00 -1.26 -2.10 120.51 116.35 1jck n ALA 135 Ca 0.01 0.06 0.12 0.00 0.00 0.00 0.00 53.44 53.63 1jck n ALA 135 Cb 0.15 -1.25 0.21 0.00 0.00 0.00 0.00 19.45 18.56 1jck n ALA 135 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 1jck h GLU 136 N 0.00 0.00 -5.23 0.00 4.39 -1.68 -3.46 114.58 108.60 1jck h GLU 136 Ca 0.00 0.00 -0.37 0.00 0.34 0.00 0.00 59.36 59.33 1jck h GLU 136 Cb 0.17 0.00 -0.14 0.00 -0.10 0.00 0.00 28.75 28.67 1jck h GLU 136 CO 0.00 0.00 -0.71 0.96 -1.16 0.00 0.00 179.01 178.10 1jck s ILE 137 N -3.19 1.33 -0.19 3.13 -0.00 -0.89 -5.03 121.20 116.36 1jck s ILE 137 Ca 0.08 -2.10 0.16 0.00 -0.00 0.00 0.00 60.65 58.78 1jck s ILE 137 Cb 0.07 -1.98 0.07 0.00 -0.00 0.00 0.00 42.46 40.61 1jck s ILE 137 CO 0.66 -0.64 1.38 0.00 -0.00 0.00 0.00 174.94 176.34 1jck h ALA 138 N 2.66 0.70 -3.48 2.27 0.00 -1.90 -3.46 119.26 116.05 1jck h ALA 138 Ca -0.37 -0.43 -0.15 0.00 0.00 0.00 0.00 54.91 53.95 1jck h ALA 138 Cb 1.20 -0.03 0.06 0.00 0.00 0.00 0.00 17.79 19.02 1jck h ALA 138 CO 0.63 0.57 0.13 0.27 0.00 0.00 0.00 179.25 180.85 1jck n ASN 139 N -3.16 0.11 -4.88 0.00 6.94 -1.26 -5.07 115.26 107.94 1jck n ASN 139 Ca 0.01 -1.21 -0.29 0.00 -0.02 0.00 0.00 54.58 53.07 1jck n ASN 139 Cb 0.72 -0.33 -0.01 0.00 -2.36 0.00 0.00 39.78 37.80 1jck n ASN 139 CO 0.00 0.00 0.00 -0.54 -1.03 0.00 0.00 177.26 175.69 1jck s LYS 140 N -3.88 3.63 0.00 -3.83 -0.14 -1.26 -4.87 119.74 109.39 1jck s LYS 140 Ca 0.25 0.48 0.00 0.00 -1.36 0.00 0.00 55.97 55.34 1jck s LYS 140 Cb -0.01 -2.27 0.00 0.00 -1.68 0.00 0.00 37.83 33.88 1jck s LYS 140 CO 0.18 -0.30 0.00 0.00 -0.76 0.00 0.00 175.35 174.47 1jck n GLN 141 N -2.20 0.00 -2.60 1.68 -0.00 -1.26 -4.65 117.38 108.35 1jck n GLN 141 Ca 0.03 0.00 -0.03 0.00 -0.00 0.00 0.00 57.00 57.00 1jck n GLN 141 Cb 0.54 0.00 0.01 0.00 -0.00 0.00 0.00 30.24 30.79 1jck n GLN 141 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.06 177.42 1jck n LYS 142 N 0.00 -0.96 -0.74 2.61 -0.00 -1.26 -3.90 118.16 113.91 1jck n LYS 142 Ca 0.00 0.11 0.00 0.00 -0.00 0.00 0.00 58.31 58.42 1jck n LYS 142 Cb 0.00 -2.98 0.00 0.00 -0.00 0.00 0.00 35.03 32.05 1jck n LYS 142 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1jck n ALA 143 N -2.71 -2.76 0.03 0.58 0.00 -1.26 -4.74 120.51 109.65 1jck n ALA 143 Ca -0.00 0.12 -0.06 0.00 0.00 0.00 0.00 53.44 53.50 1jck n ALA 143 Cb 0.51 -0.74 -0.04 0.00 0.00 0.00 0.00 19.45 19.18 1jck n ALA 143 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.50 178.65 1jck h THR 144 N 0.97 0.00 -3.33 0.00 2.02 -1.88 -3.37 112.91 107.32 1jck h THR 144 Ca 0.00 0.00 -0.65 0.00 0.77 0.00 0.00 66.41 66.53 1jck h THR 144 Cb 0.00 0.00 -0.16 0.00 -1.74 0.00 0.00 68.15 66.25 1jck h THR 144 CO 0.00 0.00 -0.76 -0.76 0.37 0.00 0.00 175.52 174.37 1jck s LEU 145 N -6.91 2.87 -0.14 2.58 1.43 -0.60 -4.19 118.68 113.72 1jck s LEU 145 Ca -0.06 -0.56 0.00 0.00 -1.03 0.00 0.00 54.13 52.49 1jck s LEU 145 Cb 0.02 -1.63 0.02 0.00 0.03 0.00 0.00 46.19 44.64 1jck s LEU 145 CO 0.23 0.14 -0.12 -0.69 0.23 0.00 0.00 176.35 176.13 1jck s VAL 146 N -1.45 1.42 -0.19 -1.59 1.01 0.38 -2.63 120.40 117.35 1jck s VAL 146 Ca 0.22 -0.54 -0.08 0.00 0.00 0.00 0.00 61.98 61.58 1jck s VAL 146 Cb -0.10 -1.36 -0.04 0.00 0.00 0.00 0.00 36.38 34.88 1jck s VAL 146 CO 0.13 0.43 0.09 0.00 0.00 0.00 0.00 175.10 175.76 1jck s LEU 148 N 0.34 1.66 -0.23 0.00 2.96 -0.09 -2.67 118.68 120.66 1jck s LEU 148 Ca 0.05 -2.14 -0.22 0.00 -0.22 0.00 0.00 54.13 51.60 1jck s LEU 148 Cb -0.12 -0.66 -0.02 0.00 0.50 0.00 0.00 46.19 45.89 1jck s LEU 148 CO -0.01 -0.33 0.69 0.00 -1.32 0.00 0.00 176.35 175.38 1jck s ALA 149 N 1.04 3.59 0.19 5.97 0.00 -0.87 -2.60 121.76 129.08 1jck s ALA 149 Ca 0.16 -0.28 -0.09 0.00 0.00 0.00 0.00 51.96 51.75 1jck s ALA 149 Cb -0.22 -3.08 -0.01 0.00 0.00 0.00 0.00 23.12 19.81 1jck s ALA 149 CO -0.07 -0.73 0.32 -0.98 0.00 0.00 0.00 175.76 174.30 1jck s ARG 150 N 2.34 1.28 -0.36 0.00 1.04 0.46 -0.53 118.95 123.17 1jck s ARG 150 Ca 0.30 -1.26 -0.00 0.00 -1.04 0.00 0.00 55.73 53.73 1jck s ARG 150 Cb -0.16 0.39 0.00 0.00 -2.04 0.00 0.00 34.95 33.14 1jck s ARG 150 CO 0.09 -0.48 0.04 0.41 -0.04 0.00 0.00 175.30 175.32 1jck n GLY 151 N -0.27 0.26 3.70 3.88 0.00 -0.82 -1.05 105.19 110.89 1jck n GLY 151 Ca -0.04 -0.67 -0.23 0.00 0.00 0.00 0.00 46.02 45.08 1jck n GLY 151 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1jck s PHE 152 N -2.35 2.71 -0.29 1.61 -0.12 -1.19 -4.62 117.98 113.73 1jck s PHE 152 Ca 0.02 -0.32 -0.17 0.00 -0.05 0.00 0.00 56.93 56.41 1jck s PHE 152 Cb -0.01 -1.48 0.15 0.00 -0.63 0.00 0.00 43.02 41.05 1jck s PHE 152 CO 0.02 0.45 1.00 0.12 -0.05 0.00 0.00 175.22 176.76 1jck s PHE 153 N -2.39 -0.53 0.71 3.49 2.19 -0.67 -0.10 117.98 120.68 1jck s PHE 153 Ca 0.35 1.06 -0.06 0.00 0.33 0.00 0.00 56.93 58.61 1jck s PHE 153 Cb -0.04 0.32 0.08 0.00 -1.31 0.00 0.00 43.02 42.07 1jck s PHE 153 CO 0.22 -0.26 1.01 -2.14 1.83 0.00 0.00 175.22 175.88 1jck s PRO 154 N 1.25 2.05 0.00 10.12 0.02 -1.26 -0.10 135.00 147.08 1jck s PRO 154 Ca -0.08 -0.41 -0.03 0.00 0.02 0.00 0.00 61.00 60.50 1jck s PRO 154 Cb -0.04 -2.19 -0.12 0.00 0.02 0.00 0.00 34.50 32.17 1jck s PRO 154 CO -0.14 -1.30 1.91 -0.40 -0.33 0.00 0.00 177.00 176.74 1jck n ASP 155 N -2.92 2.37 -3.77 2.53 5.75 -1.26 -4.64 116.55 114.60 1jck n ASP 155 Ca 0.09 -1.94 -0.42 0.00 -0.01 0.00 0.00 54.79 52.52 1jck n ASP 155 Cb 0.60 -0.64 0.02 0.00 -1.03 0.00 0.00 41.12 40.07 1jck n ASP 155 CO 0.00 0.00 0.00 1.41 -0.11 0.00 0.00 177.20 178.50 1jck n HIS 156 N 2.77 2.57 -4.31 2.11 8.25 -1.26 -4.95 115.22 120.40 1jck n HIS 156 Ca 0.19 -2.58 -0.23 0.00 -0.26 0.00 0.00 57.72 54.84 1jck n HIS 156 Cb 0.42 -1.21 -0.13 0.00 1.12 0.00 0.00 29.99 30.19 1jck n HIS 156 CO 0.00 0.00 0.00 0.14 0.64 0.00 0.00 176.34 177.12 1jck s VAL 157 N -3.76 1.61 -0.18 1.59 -7.23 -1.25 -1.20 120.40 109.99 1jck s VAL 157 Ca 0.36 -1.46 -0.02 0.00 -1.81 0.00 0.00 61.98 59.06 1jck s VAL 157 Cb 0.14 -1.46 0.05 0.00 0.56 0.00 0.00 36.38 35.67 1jck s VAL 157 CO -0.04 -0.05 -0.00 -1.61 -0.31 0.00 0.00 175.10 173.09 1jck s GLU 158 N -1.78 0.98 0.33 4.82 8.01 -0.44 -4.90 118.70 125.72 1jck s GLU 158 Ca 0.05 -0.45 -0.20 0.00 0.01 0.00 0.00 54.97 54.38 1jck s GLU 158 Cb -0.10 -2.00 -0.10 0.00 -4.31 0.00 0.00 34.13 27.63 1jck s GLU 158 CO 0.04 -0.54 0.83 -1.17 0.01 0.00 0.00 175.26 174.43 1jck s LEU 159 N 1.75 4.13 0.21 1.80 0.20 -1.26 -0.57 118.68 124.94 1jck s LEU 159 Ca -0.00 1.52 -0.08 0.00 0.69 0.00 0.00 54.13 56.25 1jck s LEU 159 Cb -0.16 -4.10 -0.02 0.00 -0.43 0.00 0.00 46.19 41.48 1jck s LEU 159 CO -0.07 -0.18 0.32 -0.94 -0.29 0.00 0.00 176.35 175.19 1jck s SER 160 N -2.01 0.02 -0.02 3.68 1.04 0.66 -4.97 113.70 112.10 1jck s SER 160 Ca 0.53 -1.03 0.02 0.00 0.48 0.00 0.00 55.95 55.95 1jck s SER 160 Cb -0.13 0.48 0.00 0.00 0.10 0.00 0.00 66.02 66.48 1jck s SER 160 CO 0.18 -0.98 -0.07 0.26 0.98 0.00 0.00 173.24 173.61 1jck s TRP 161 N -4.04 0.80 -0.28 5.02 0.52 -1.26 -2.54 118.94 117.17 1jck s TRP 161 Ca 0.25 -0.19 -0.02 0.00 0.02 0.00 0.00 56.10 56.16 1jck s TRP 161 Cb 0.03 -0.58 0.09 0.00 -1.15 0.00 0.00 33.47 31.85 1jck s TRP 161 CO 0.07 -0.09 0.09 -1.58 0.02 0.00 0.00 176.95 175.46 1jck s TRP 162 N 0.22 1.32 -0.22 -1.98 0.52 0.13 -1.31 118.94 117.61 1jck s TRP 162 Ca -0.03 -1.39 -0.20 0.00 0.02 0.00 0.00 56.10 54.51 1jck s TRP 162 Cb -0.08 -1.41 -0.03 0.00 -1.15 0.00 0.00 33.47 30.80 1jck s TRP 162 CO 0.00 -0.81 0.58 0.14 0.02 0.00 0.00 176.95 176.89 1jck s VAL 163 N 1.75 5.04 -1.51 4.03 -7.23 0.67 -1.05 120.40 122.11 1jck s VAL 163 Ca 0.07 1.07 -0.03 0.00 -1.81 0.00 0.00 61.98 61.27 1jck s VAL 163 Cb -0.17 -3.90 0.01 0.00 0.56 0.00 0.00 36.38 32.89 1jck s VAL 163 CO -0.23 0.11 0.34 0.59 -0.31 0.00 0.00 175.10 175.60 1jck n ASN 164 N 5.19 -5.40 0.00 4.85 4.13 0.60 -1.58 115.26 123.05 1jck n ASN 164 Ca -0.02 -0.16 0.00 0.00 1.68 0.00 0.00 54.58 56.07 1jck n ASN 164 Cb 0.50 -4.43 0.00 0.00 -1.54 0.00 0.00 39.78 34.30 1jck n ASN 164 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1jck n GLY 165 N -1.24 0.76 3.45 7.41 0.00 -1.26 -4.98 105.19 109.34 1jck n GLY 165 Ca -0.14 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.56 1jck n GLY 165 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1jck s LYS 166 N -0.50 2.31 -0.16 1.61 0.00 -0.61 -5.06 119.74 117.34 1jck s LYS 166 Ca 0.00 -0.82 -0.29 0.00 0.00 0.00 0.00 55.97 54.85 1jck s LYS 166 Cb 0.00 -2.27 -0.01 0.00 0.00 0.00 0.00 37.83 35.55 1jck s LYS 166 CO 0.00 0.59 1.10 -2.00 0.00 0.00 0.00 175.35 175.03 1jck s GLU 167 N -0.97 4.31 0.26 1.78 2.12 -1.26 -0.24 118.70 124.72 1jck s GLU 167 Ca 0.12 1.47 0.06 0.00 0.36 0.00 0.00 54.97 56.99 1jck s GLU 167 Cb -0.10 -3.62 -0.03 0.00 0.26 0.00 0.00 34.13 30.63 1jck s GLU 167 CO 0.02 -0.53 0.33 0.14 -0.54 0.00 0.00 175.26 174.69 1jck s VAL 168 N 2.77 4.79 0.00 3.70 -7.23 -0.43 -4.94 120.40 119.06 1jck s VAL 168 Ca 0.49 -1.11 0.00 0.00 -1.81 0.00 0.00 61.98 59.55 1jck s VAL 168 Cb -0.19 -3.65 0.00 0.00 0.56 0.00 0.00 36.38 33.11 1jck s VAL 168 CO 0.13 -0.30 0.00 1.41 -0.31 0.00 0.00 175.10 176.04 1jck n HIS 169 N -1.39 0.00 -3.39 2.82 -0.00 -1.26 -4.57 115.22 107.43 1jck n HIS 169 Ca -0.07 0.00 -0.37 0.00 -0.00 0.00 0.00 57.72 57.28 1jck n HIS 169 Cb 0.58 0.00 -0.06 0.00 -0.00 0.00 0.00 29.99 30.50 1jck n HIS 169 CO 0.00 0.00 0.00 0.45 -0.00 0.00 0.00 176.34 176.79 1jck s SER 170 N -0.23 6.58 0.00 0.41 0.15 -1.26 -4.06 113.70 115.30 1jck s SER 170 Ca 0.00 0.69 0.00 0.00 0.70 0.00 0.00 55.95 57.34 1jck s SER 170 Cb 0.00 -2.25 0.00 0.00 -1.71 0.00 0.00 66.02 62.06 1jck s SER 170 CO 0.00 0.02 0.00 0.61 1.20 0.00 0.00 173.24 175.07 1jck n GLY 171 N 3.37 0.87 3.85 9.45 0.00 -1.26 -4.85 105.19 116.62 1jck n GLY 171 Ca -0.09 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.58 1jck n GLY 171 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1jck s VAL 172 N -3.45 4.90 -0.42 1.61 1.01 -1.26 -0.71 120.40 122.08 1jck s VAL 172 Ca 0.00 0.74 0.05 0.00 0.00 0.00 0.00 61.98 62.77 1jck s VAL 172 Cb 0.00 -3.71 0.18 0.00 0.00 0.00 0.00 36.38 32.85 1jck s VAL 172 CO 0.00 0.22 0.40 -0.24 0.00 0.00 0.00 175.10 175.48 1jck n SER 173 N 0.74 -0.77 -4.75 3.32 2.88 0.88 -4.93 113.62 110.99 1jck n SER 173 Ca -0.05 -2.46 -0.40 0.00 -1.33 0.00 0.00 58.87 54.63 1jck n SER 173 Cb 0.52 -0.30 -0.05 0.00 -0.75 0.00 0.00 64.21 63.63 1jck n SER 173 CO 0.00 0.00 0.00 -0.89 -1.23 0.00 0.00 175.04 172.92 1jck s THR 174 N 0.05 4.61 0.52 2.46 2.01 -1.26 -1.73 115.64 122.30 1jck s THR 174 Ca 0.33 1.75 -0.20 0.00 0.31 0.00 0.00 61.69 63.88 1jck s THR 174 Cb 0.05 -4.17 -0.09 0.00 0.01 0.00 0.00 72.50 68.30 1jck s THR 174 CO -0.18 0.38 0.68 0.47 -0.69 0.00 0.00 174.62 175.28 1jck n ASP 175 N 2.60 -0.32 -0.14 3.53 8.00 -0.94 -4.88 116.55 124.40 1jck n ASP 175 Ca -0.02 0.83 -0.05 0.00 0.71 0.00 0.00 54.79 56.27 1jck n ASP 175 Cb 0.50 -1.23 0.04 0.00 -0.02 0.00 0.00 41.12 40.41 1jck n ASP 175 CO 0.00 0.00 0.00 1.55 -0.39 0.00 0.00 177.20 178.36 1jck h PRO 176 N 0.62 0.40 -3.72 -0.24 0.13 -1.95 -3.45 132.00 123.79 1jck h PRO 176 Ca -0.45 -0.02 -0.11 0.00 -0.87 0.00 0.00 66.00 64.55 1jck h PRO 176 Cb 1.38 -0.09 -0.16 0.00 0.13 0.00 0.00 31.00 32.26 1jck h PRO 176 CO 0.50 0.26 -0.43 1.14 -0.23 0.00 0.00 178.00 179.25 1jck s GLN 177 N -6.14 0.71 0.22 0.86 -2.07 -1.26 -5.13 119.66 106.85 1jck s GLN 177 Ca -0.13 -0.78 -0.30 0.00 -1.82 0.00 0.00 55.36 52.32 1jck s GLN 177 Cb 0.13 0.29 -0.10 0.00 -1.09 0.00 0.00 33.01 32.24 1jck s GLN 177 CO 0.73 -0.21 1.42 0.00 -1.32 0.00 0.00 175.29 175.92 1jck s ALA 178 N -3.04 3.62 -0.15 2.60 0.00 -1.26 -4.95 121.76 118.57 1jck s ALA 178 Ca -0.01 1.27 -0.12 0.00 0.00 0.00 0.00 51.96 53.10 1jck s ALA 178 Cb 0.01 -3.55 -0.05 0.00 0.00 0.00 0.00 23.12 19.54 1jck s ALA 178 CO -0.07 -0.70 0.24 0.71 0.00 0.00 0.00 175.76 175.95 1jck s TYR 179 N 0.22 3.49 -0.79 0.00 2.02 -0.16 -4.88 117.35 117.25 1jck s TYR 179 Ca 0.60 0.55 -0.26 0.00 -0.37 0.00 0.00 57.07 57.60 1jck s TYR 179 Cb -0.41 -2.24 0.00 0.00 -0.40 0.00 0.00 41.96 38.92 1jck s TYR 179 CO 0.40 0.35 1.62 0.15 -1.57 0.00 0.00 175.55 176.50 1jck s LYS 180 N 0.12 2.97 0.00 -0.62 1.02 -1.26 0.43 119.74 122.39 1jck s LYS 180 Ca 0.15 -0.17 0.18 0.00 0.02 0.00 0.00 55.97 56.14 1jck s LYS 180 Cb -0.13 -4.66 0.89 0.00 -0.52 0.00 0.00 37.83 33.42 1jck s LYS 180 CO 0.03 -2.59 1.53 -0.85 -0.92 0.00 0.00 175.35 172.56 1jck n GLU 181 N 9.12 0.25 -3.67 1.68 0.28 0.36 -4.81 120.64 123.85 1jck n GLU 181 Ca 0.22 0.12 -0.01 0.00 -0.16 0.00 0.00 57.16 57.33 1jck n GLU 181 Cb 0.50 -1.50 -0.01 0.00 1.43 0.00 0.00 31.44 31.86 1jck n GLU 181 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 177.13 175.43 1jck s SER 182 N -2.58 -0.11 0.56 -1.84 1.04 -0.94 -4.94 113.70 104.88 1jck s SER 182 Ca 0.17 -0.23 0.27 0.00 0.48 0.00 0.00 55.95 56.63 1jck s SER 182 Cb 0.12 0.29 1.48 0.00 0.10 0.00 0.00 66.02 68.00 1jck s SER 182 CO 0.27 -0.53 2.01 -0.55 0.98 0.00 0.00 173.24 175.42 1jck h ASN 186 N 2.00 0.00 -0.76 7.02 -1.07 -2.02 -2.68 115.58 118.07 1jck h ASN 186 Ca -0.27 0.00 -0.35 0.00 0.07 0.00 0.00 56.30 55.75 1jck h ASN 186 Cb 1.21 0.00 -0.41 0.00 -2.07 0.00 0.00 38.32 37.06 1jck h ASN 186 CO 0.27 0.00 -1.07 -1.22 0.07 0.00 0.00 177.43 175.49 1jck n TYR 187 N -4.11 1.64 -3.67 4.14 4.01 -1.26 -5.05 117.16 112.87 1jck n TYR 187 Ca 0.07 -2.45 -0.12 0.00 -0.16 0.00 0.00 57.90 55.24 1jck n TYR 187 Cb 0.53 -0.28 -0.08 0.00 -0.31 0.00 0.00 39.34 39.20 1jck n TYR 187 CO 0.00 0.00 0.00 0.45 -0.46 0.00 0.00 176.86 176.85 1jck s SER 189 N -3.54 -0.67 0.06 7.72 0.15 -1.01 -4.70 113.70 111.71 1jck s SER 189 Ca 0.32 1.22 0.09 0.00 0.70 0.00 0.00 55.95 58.29 1jck s SER 189 Cb 0.38 1.18 -0.03 0.00 -1.71 0.00 0.00 66.02 65.85 1jck s SER 189 CO -0.02 -0.21 -0.26 -0.31 1.20 0.00 0.00 173.24 173.64 1jck s TYR 190 N 0.76 2.23 0.04 3.44 1.51 0.85 -0.49 117.35 125.70 1jck s TYR 190 Ca -0.04 -0.40 0.08 0.00 -1.01 0.00 0.00 57.07 55.70 1jck s TYR 190 Cb -0.05 -1.31 -0.03 0.00 -0.11 0.00 0.00 41.96 40.47 1jck s TYR 190 CO -0.06 0.17 -0.22 0.00 -1.11 0.00 0.00 175.55 174.33 1jck s LEU 192 N -1.21 1.70 -0.30 0.00 2.96 0.30 -0.99 118.68 121.15 1jck s LEU 192 Ca 0.09 -0.44 -0.08 0.00 -0.22 0.00 0.00 54.13 53.48 1jck s LEU 192 Cb -0.09 0.66 0.15 0.00 0.50 0.00 0.00 46.19 47.41 1jck s LEU 192 CO 0.02 -0.49 0.66 -0.94 -1.32 0.00 0.00 176.35 174.28 1jck s SER 193 N -1.96 -1.18 0.23 3.68 1.04 -1.26 -2.06 113.70 112.18 1jck s SER 193 Ca -0.07 1.33 0.06 0.00 0.48 0.00 0.00 55.95 57.75 1jck s SER 193 Cb -0.03 2.23 -0.03 0.00 0.10 0.00 0.00 66.02 68.29 1jck s SER 193 CO -0.03 -0.22 0.25 -0.55 0.98 0.00 0.00 173.24 173.66 1jck s SER 194 N 2.87 5.83 -0.15 7.02 0.15 -1.09 -2.21 113.70 126.12 1jck s SER 194 Ca 0.02 -0.10 -0.02 0.00 0.70 0.00 0.00 55.95 56.54 1jck s SER 194 Cb -0.13 -1.59 0.05 0.00 -1.71 0.00 0.00 66.02 62.64 1jck s SER 194 CO -0.19 -0.03 0.02 -0.13 1.20 0.00 0.00 173.24 174.11 1jck s ARG 195 N -3.74 0.65 -0.30 5.44 3.00 -0.70 -1.38 118.95 121.92 1jck s ARG 195 Ca 0.33 -0.23 -0.11 0.00 0.00 0.00 0.00 55.73 55.72 1jck s ARG 195 Cb -0.09 -1.71 -0.03 0.00 0.00 0.00 0.00 34.95 33.12 1jck s ARG 195 CO 0.26 -0.52 0.19 -1.17 0.00 0.00 0.00 175.30 174.06 1jck s LEU 196 N 1.90 4.12 -0.22 2.53 2.96 -1.08 -0.08 118.68 128.81 1jck s LEU 196 Ca 0.01 -0.21 -0.08 0.00 -0.22 0.00 0.00 54.13 53.63 1jck s LEU 196 Cb -0.15 -2.09 -0.04 0.00 0.50 0.00 0.00 46.19 44.41 1jck s LEU 196 CO -0.07 -0.12 0.08 0.00 -1.32 0.00 0.00 176.35 174.92 1jck s ARG 197 N 1.72 3.87 0.43 1.98 1.70 0.11 -1.56 118.95 127.20 1jck s ARG 197 Ca 0.06 -0.38 0.01 0.00 -0.47 0.00 0.00 55.73 54.95 1jck s ARG 197 Cb -0.16 -3.31 -0.01 0.00 -0.57 0.00 0.00 34.95 30.90 1jck s ARG 197 CO 0.10 0.07 0.05 1.33 -1.08 0.00 0.00 175.30 175.76 1jck n VAL 198 N 4.18 0.00 -2.54 4.99 0.24 -1.26 -4.65 118.33 119.28 1jck n VAL 198 Ca -0.16 -2.17 -0.42 0.00 -2.04 0.00 0.00 64.34 59.55 1jck n VAL 198 Cb 0.52 0.56 -0.03 0.00 -1.47 0.00 0.00 33.84 33.42 1jck n VAL 198 CO 0.00 0.00 0.00 -0.94 -2.14 0.00 0.00 176.83 173.75 1jck s SER 199 N -3.44 7.24 0.21 -1.34 1.04 -1.26 -4.90 113.70 111.25 1jck s SER 199 Ca 0.07 1.93 -0.15 0.00 0.48 0.00 0.00 55.95 58.28 1jck s SER 199 Cb 0.00 -2.58 0.24 0.00 0.10 0.00 0.00 66.02 63.78 1jck s SER 199 CO 0.05 -0.32 1.60 0.00 0.98 0.00 0.00 173.24 175.56 1jck h ALA 200 N 6.23 0.31 -0.78 5.32 0.00 -1.99 0.47 119.26 128.83 1jck h ALA 200 Ca -0.42 0.25 0.12 0.00 0.00 0.00 0.00 54.91 54.85 1jck h ALA 200 Cb 1.21 0.63 -0.05 0.00 0.00 0.00 0.00 17.79 19.58 1jck h ALA 200 CO 0.76 -0.50 0.51 1.15 0.00 0.00 0.00 179.25 181.18 1jck h THR 201 N -0.05 0.88 -0.31 0.00 2.02 -1.96 0.22 112.91 113.71 1jck h THR 201 Ca 0.31 -0.21 -0.03 0.00 0.77 0.00 0.00 66.41 67.25 1jck h THR 201 Cb 0.53 0.22 -0.01 0.00 -1.74 0.00 0.00 68.15 67.15 1jck h THR 201 CO -0.73 0.11 0.07 0.15 0.37 0.00 0.00 175.52 175.50 1jck h PHE 202 N 0.61 0.53 0.00 3.16 3.04 -0.51 -1.40 116.94 122.36 1jck h PHE 202 Ca 0.37 -0.06 0.00 0.00 3.98 0.00 0.00 57.97 62.26 1jck h PHE 202 Cb 0.61 -0.15 0.00 0.00 2.56 0.00 0.00 35.95 38.98 1jck h PHE 202 CO -0.00 0.56 0.00 2.35 -2.02 0.00 0.00 178.31 179.20 1jck h TRP 203 N 0.34 0.00 -0.31 0.41 -0.00 0.84 -2.31 115.95 114.92 1jck h TRP 203 Ca 0.10 0.00 0.00 0.00 -0.00 0.00 0.00 58.89 58.99 1jck h TRP 203 Cb 0.30 0.00 0.00 0.00 -0.00 0.00 0.00 29.16 29.46 1jck h TRP 203 CO 0.02 0.00 0.00 0.72 -0.00 0.00 0.00 178.44 179.18 1jck n HIS 204 N -2.32 0.39 -3.12 2.65 8.25 0.54 -1.26 115.22 120.34 1jck n HIS 204 Ca 0.01 -0.20 -0.43 0.00 -0.26 0.00 0.00 57.72 56.84 1jck n HIS 204 Cb 0.19 -0.00 -0.06 0.00 1.12 0.00 0.00 29.99 31.24 1jck n HIS 204 CO 0.00 0.00 0.00 -0.80 0.64 0.00 0.00 176.34 176.18 1jck s ASN 205 N -1.58 6.27 0.15 0.41 0.01 -0.81 -3.06 114.94 116.33 1jck s ASN 205 Ca 0.36 -0.60 0.09 0.00 -0.71 0.00 0.00 52.86 52.00 1jck s ASN 205 Cb 0.22 -2.31 0.48 0.00 0.41 0.00 0.00 41.25 40.05 1jck s ASN 205 CO 0.31 -0.85 1.22 -2.65 -1.51 0.00 0.00 177.10 173.63 1jck n PRO 206 N 6.27 0.06 0.16 -0.60 -0.02 -1.25 -1.13 135.00 138.49 1jck n PRO 206 Ca -0.04 0.52 0.10 0.00 -2.02 0.00 0.00 63.50 62.07 1jck n PRO 206 Cb 0.47 -1.76 0.08 0.00 -0.02 0.00 0.00 33.50 32.26 1jck n PRO 206 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1jck h ARG 207 N 0.00 0.00 -6.49 -0.52 -0.00 -1.91 -3.37 114.38 102.09 1jck h ARG 207 Ca 0.00 0.00 -0.53 0.00 -0.50 0.00 0.00 59.98 58.95 1jck h ARG 207 Cb 0.14 0.00 -0.01 0.00 0.00 0.00 0.00 29.97 30.10 1jck h ARG 207 CO 0.00 0.07 0.40 -0.80 0.00 0.00 0.00 179.97 179.64 1jck s ASN 208 N -5.89 7.36 0.03 7.04 0.01 -0.29 -4.93 114.94 118.27 1jck s ASN 208 Ca 0.03 1.79 0.02 0.00 -0.71 0.00 0.00 52.86 53.99 1jck s ASN 208 Cb 0.07 -2.58 -0.04 0.00 0.41 0.00 0.00 41.25 39.11 1jck s ASN 208 CO 0.73 -0.22 0.04 -2.28 -1.51 0.00 0.00 177.10 173.86 1jck s HIS 209 N 0.60 3.15 -0.08 2.20 2.46 -1.26 -1.62 115.29 120.74 1jck s HIS 209 Ca 0.51 0.10 -0.00 0.00 0.47 0.00 0.00 55.06 56.14 1jck s HIS 209 Cb -0.24 -1.66 0.03 0.00 -0.13 0.00 0.00 32.58 30.58 1jck s HIS 209 CO 0.29 0.51 -0.04 -0.06 -2.47 0.00 0.00 174.74 172.97 1jck s PHE 210 N -1.23 0.95 -0.14 3.88 0.40 -0.81 -0.29 117.98 120.74 1jck s PHE 210 Ca 0.24 -0.35 0.01 0.00 -0.60 0.00 0.00 56.93 56.22 1jck s PHE 210 Cb -0.12 -0.91 0.02 0.00 0.51 0.00 0.00 43.02 42.52 1jck s PHE 210 CO 0.16 -0.35 -0.14 0.50 0.70 0.00 0.00 175.22 176.08 1jck s ARG 211 N 1.63 2.25 -0.47 0.44 3.52 -0.21 -2.37 118.95 123.74 1jck s ARG 211 Ca 0.01 -0.55 -0.09 0.00 -0.13 0.00 0.00 55.73 54.98 1jck s ARG 211 Cb -0.13 -2.04 0.12 0.00 -1.56 0.00 0.00 34.95 31.34 1jck s ARG 211 CO -0.05 -0.20 0.34 0.00 -0.81 0.00 0.00 175.30 174.58 1jck s GLN 213 N 1.30 3.94 -0.09 0.00 -0.44 -1.05 -1.30 119.66 122.02 1jck s GLN 213 Ca 0.06 -0.29 0.02 0.00 -2.50 0.00 0.00 55.36 52.65 1jck s GLN 213 Cb -0.26 -3.25 -0.02 0.00 -1.64 0.00 0.00 33.01 27.85 1jck s GLN 213 CO -0.01 0.35 -0.14 0.08 0.50 0.00 0.00 175.29 176.07 1jck s VAL 214 N 0.17 3.06 -0.25 1.34 1.01 0.60 -0.24 120.40 126.08 1jck s VAL 214 Ca 0.06 -0.69 -0.16 0.00 0.00 0.00 0.00 61.98 61.19 1jck s VAL 214 Cb -0.12 -2.24 -0.04 0.00 0.00 0.00 0.00 36.38 33.99 1jck s VAL 214 CO -0.00 0.56 0.41 -1.10 0.00 0.00 0.00 175.10 174.97 1jck s GLN 215 N -0.23 4.06 -0.04 2.72 -1.52 0.26 -1.65 119.66 123.25 1jck s GLN 215 Ca 0.01 0.13 0.01 0.00 -1.95 0.00 0.00 55.36 53.56 1jck s GLN 215 Cb -0.13 -3.63 -0.03 0.00 -0.22 0.00 0.00 33.01 28.99 1jck s GLN 215 CO 0.03 -0.25 -0.03 0.12 -0.25 0.00 0.00 175.29 174.91 1jck s PHE 216 N 1.97 3.03 -0.11 0.91 5.36 0.30 -1.33 117.98 128.10 1jck s PHE 216 Ca 0.17 0.08 0.00 0.00 -0.96 0.00 0.00 56.93 56.22 1jck s PHE 216 Cb -0.16 -1.70 0.02 0.00 -0.34 0.00 0.00 43.02 40.84 1jck s PHE 216 CO 0.09 0.41 -0.10 -1.01 -1.46 0.00 0.00 175.22 173.16 1jck s HIS 217 N -0.94 1.63 0.00 10.12 3.76 -0.34 -4.54 115.29 124.98 1jck s HIS 217 Ca 0.15 -0.80 0.00 0.00 -0.15 0.00 0.00 55.06 54.26 1jck s HIS 217 Cb -0.11 -1.28 0.00 0.00 1.11 0.00 0.00 32.58 32.30 1jck s HIS 217 CO 0.05 -0.50 0.00 0.41 -0.85 0.00 0.00 174.74 173.85 1jck n GLY 218 N 4.67 3.99 3.57 -2.22 0.00 -1.26 -4.51 105.19 109.43 1jck n GLY 218 Ca -0.15 -0.48 -0.39 0.00 0.00 0.00 0.00 46.02 44.99 1jck n GLY 218 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1jck s LEU 219 N 0.00 3.40 0.91 0.99 2.01 -1.26 -4.63 118.68 120.10 1jck s LEU 219 Ca 0.00 1.11 -0.11 0.00 0.01 0.00 0.00 54.13 55.14 1jck s LEU 219 Cb 0.00 -2.92 0.14 0.00 0.01 0.00 0.00 46.19 43.42 1jck s LEU 219 CO 0.00 -2.33 1.10 -0.44 1.01 0.00 0.00 176.35 175.68 1jck s SER 220 N 9.16 3.15 0.58 2.29 0.01 -1.26 -4.86 113.70 122.76 1jck s SER 220 Ca 0.87 1.79 0.29 0.00 1.31 0.00 0.00 55.95 60.21 1jck s SER 220 Cb -0.20 -2.39 1.47 0.00 0.21 0.00 0.00 66.02 65.10 1jck s SER 220 CO 0.28 -2.89 1.90 1.05 0.41 0.00 0.00 173.24 174.00 1jck h GLU 221 N -1.72 0.00 -0.01 12.44 9.09 -2.02 0.66 114.58 133.02 1jck h GLU 221 Ca -0.48 0.00 0.00 0.00 0.05 0.00 0.00 59.36 58.93 1jck h GLU 221 Cb 1.27 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 28.37 1jck h GLU 221 CO 0.49 0.00 -0.14 -0.85 0.05 0.00 0.00 179.01 178.56 1jck n GLU 222 N -3.84 0.79 -3.13 1.06 -0.00 -1.26 -4.79 120.64 109.47 1jck n GLU 222 Ca 0.10 -0.35 -0.43 0.00 -0.00 0.00 0.00 57.16 56.48 1jck n GLU 222 Cb 0.71 -1.49 -0.07 0.00 -0.00 0.00 0.00 31.44 30.59 1jck n GLU 222 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.13 176.62 1jck s ASP 223 N -2.44 6.30 -0.21 -1.84 1.01 0.22 -5.03 116.67 114.69 1jck s ASP 223 Ca 0.28 -0.41 -0.29 0.00 0.71 0.00 0.00 52.55 52.85 1jck s ASP 223 Cb 0.20 -2.31 -0.00 0.00 1.01 0.00 0.00 42.92 41.82 1jck s ASP 223 CO 0.48 -0.76 1.16 -0.75 0.21 0.00 0.00 175.17 175.51 1jck s LYS 224 N 2.74 4.22 0.12 8.23 2.20 -1.26 -4.83 119.74 131.15 1jck s LYS 224 Ca 0.21 1.49 -0.30 0.00 -0.36 0.00 0.00 55.97 57.01 1jck s LYS 224 Cb -0.15 -3.72 -0.06 0.00 -1.51 0.00 0.00 37.83 32.40 1jck s LYS 224 CO 0.18 -0.70 1.00 -0.46 -0.36 0.00 0.00 175.35 175.00 1jck s TRP 225 N 3.42 3.75 0.01 4.03 -0.11 -1.26 -4.99 118.94 123.80 1jck s TRP 225 Ca 0.50 1.74 -0.30 0.00 1.22 0.00 0.00 56.10 59.26 1jck s TRP 225 Cb -0.18 -3.11 -0.07 0.00 -1.50 0.00 0.00 33.47 28.60 1jck s TRP 225 CO 0.11 -0.00 1.71 -1.25 -4.62 0.00 0.00 176.95 172.90 1jck s PRO 226 N 0.03 4.18 0.13 5.86 0.04 -1.26 -4.92 135.00 139.06 1jck s PRO 226 Ca 0.48 2.33 -0.32 0.00 0.04 0.00 0.00 61.00 63.52 1jck s PRO 226 Cb -0.24 -3.86 -0.12 0.00 0.04 0.00 0.00 34.50 30.31 1jck s PRO 226 CO 0.31 -0.82 1.75 -1.91 0.04 0.00 0.00 177.00 176.36 1jck n GLU 227 N 6.59 2.56 0.00 4.56 0.00 -1.26 -4.05 120.64 129.05 1jck n GLU 227 Ca 0.17 0.93 0.00 0.00 0.00 0.00 0.00 57.16 58.26 1jck n GLU 227 Cb 0.42 -2.77 0.00 0.00 0.00 0.00 0.00 31.44 29.08 1jck n GLU 227 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 1jck n GLY 228 N 3.97 0.75 3.19 8.31 0.00 -1.26 -5.14 105.19 115.01 1jck n GLY 228 Ca 0.18 -0.00 -0.09 0.00 0.00 0.00 0.00 46.02 46.11 1jck n GLY 228 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1jck s SER 229 N 0.00 0.12 0.31 1.61 1.04 -1.26 -5.14 113.70 110.38 1jck s SER 229 Ca 0.00 -0.60 -0.29 0.00 0.48 0.00 0.00 55.95 55.53 1jck s SER 229 Cb 0.00 0.32 -0.11 0.00 0.10 0.00 0.00 66.02 66.33 1jck s SER 229 CO 0.00 -0.68 1.52 -2.84 0.98 0.00 0.00 173.24 172.21 1jck s PRO 230 N -3.57 4.16 -0.06 4.02 0.02 -1.26 -4.96 135.00 133.36 1jck s PRO 230 Ca 0.03 2.50 -0.23 0.00 0.02 0.00 0.00 61.00 63.32 1jck s PRO 230 Cb 0.04 -3.03 -0.04 0.00 0.02 0.00 0.00 34.50 31.49 1jck s PRO 230 CO -0.09 -0.54 0.69 0.21 -0.33 0.00 0.00 177.00 176.94 1jck s LYS 231 N -1.03 4.43 -0.86 5.54 2.20 -1.26 -4.98 119.74 123.78 1jck s LYS 231 Ca 0.59 0.86 -0.26 0.00 -0.36 0.00 0.00 55.97 56.80 1jck s LYS 231 Cb -0.46 -3.43 -0.13 0.00 -1.51 0.00 0.00 37.83 32.30 1jck s LYS 231 CO 0.52 0.10 2.28 -1.25 -0.36 0.00 0.00 175.35 176.64 1jck s PRO 232 N 0.67 1.75 0.33 4.03 0.04 -1.26 -4.74 135.00 135.82 1jck s PRO 232 Ca 0.37 0.18 0.25 0.00 0.04 0.00 0.00 61.00 61.84 1jck s PRO 232 Cb -0.18 -4.87 0.66 0.00 0.04 0.00 0.00 34.50 30.15 1jck s PRO 232 CO 0.18 -4.37 1.72 -0.24 0.04 0.00 0.00 177.00 174.32 1jck h VAL 233 N 7.45 0.00 -1.82 -0.36 3.04 -1.93 -3.41 116.25 119.22 1jck h VAL 233 Ca 0.03 -0.68 -0.63 0.00 -1.01 0.00 0.00 66.70 64.40 1jck h VAL 233 Cb 1.00 1.67 0.13 0.00 -2.01 0.00 0.00 31.29 32.08 1jck h VAL 233 CO 1.05 0.00 -0.51 0.41 -1.01 0.00 0.00 177.57 177.51 1jck n THR 234 N -2.67 1.58 0.00 3.17 -1.04 -1.26 -4.97 114.28 109.09 1jck n THR 234 Ca 0.04 -0.50 0.00 0.00 -2.04 0.00 0.00 64.05 61.55 1jck n THR 234 Cb 0.45 -0.31 0.00 0.00 -1.82 0.00 0.00 70.33 68.65 1jck n THR 234 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1jck n GLN 235 N 0.91 0.00 -3.77 -2.82 6.02 -1.26 -4.71 117.38 111.75 1jck n GLN 235 Ca 0.13 0.00 -0.37 0.00 -0.01 0.00 0.00 57.00 56.75 1jck n GLN 235 Cb 0.35 0.00 -0.13 0.00 1.02 0.00 0.00 30.24 31.48 1jck n GLN 235 CO 0.00 0.00 0.00 1.21 -1.01 0.00 0.00 177.06 177.26 1jck s ASN 236 N -0.52 5.16 0.27 1.08 3.04 -1.26 -0.54 114.94 122.17 1jck s ASN 236 Ca 0.00 -0.87 0.06 0.00 0.04 0.00 0.00 52.86 52.10 1jck s ASN 236 Cb 0.00 -1.87 -0.03 0.00 -1.54 0.00 0.00 41.25 37.81 1jck s ASN 236 CO 0.00 -0.24 0.29 -0.63 -3.04 0.00 0.00 177.10 173.48 1jck s ILE 237 N 1.46 4.49 -0.06 -5.21 1.09 -0.66 -4.96 121.20 117.34 1jck s ILE 237 Ca 0.01 -1.23 -0.30 0.00 -1.10 0.00 0.00 60.65 58.02 1jck s ILE 237 Cb -0.18 -3.50 0.08 0.00 -1.06 0.00 0.00 42.46 37.80 1jck s ILE 237 CO 0.02 -0.29 0.74 -0.94 -0.10 0.00 0.00 174.94 174.37 1jck s SER 238 N -3.94 -0.59 -0.10 3.58 1.04 -1.26 -0.29 113.70 112.13 1jck s SER 238 Ca 0.36 0.59 0.03 0.00 0.48 0.00 0.00 55.95 57.41 1jck s SER 238 Cb -0.08 0.49 0.01 0.00 0.10 0.00 0.00 66.02 66.54 1jck s SER 238 CO 0.27 -0.58 -0.21 0.00 0.98 0.00 0.00 173.24 173.70 1jck s ALA 239 N -1.38 1.96 0.27 5.32 0.00 -0.42 -4.97 121.76 122.53 1jck s ALA 239 Ca -0.08 -0.86 0.08 0.00 0.00 0.00 0.00 51.96 51.10 1jck s ALA 239 Cb -0.00 -0.79 -0.05 0.00 0.00 0.00 0.00 23.12 22.27 1jck s ALA 239 CO 0.06 0.18 -0.10 -1.21 0.00 0.00 0.00 175.76 174.70 1jck s GLU 240 N 0.53 1.53 0.19 0.00 2.02 -1.26 -1.28 118.70 120.43 1jck s GLU 240 Ca -0.15 -1.75 -0.24 0.00 0.02 0.00 0.00 54.97 52.85 1jck s GLU 240 Cb -0.17 -1.25 0.05 0.00 0.10 0.00 0.00 34.13 32.86 1jck s GLU 240 CO 0.05 0.11 0.89 0.00 0.02 0.00 0.00 175.26 176.34 1jck s ALA 241 N -2.92 -1.53 0.12 5.21 0.00 -1.00 -4.99 121.76 116.65 1jck s ALA 241 Ca 0.28 -0.00 0.00 0.00 0.00 0.00 0.00 51.96 52.24 1jck s ALA 241 Cb 0.02 0.70 -0.00 0.00 0.00 0.00 0.00 23.12 23.84 1jck s ALA 241 CO 0.11 -1.04 0.01 0.91 0.00 0.00 0.00 175.76 175.75 1jck n TRP 242 N -0.47 0.19 -2.60 0.00 7.02 -1.26 -1.92 117.44 118.40 1jck n TRP 242 Ca -0.05 -0.62 -0.39 0.00 -1.02 0.00 0.00 57.50 55.42 1jck n TRP 242 Cb 0.60 -0.05 -0.05 0.00 -2.42 0.00 0.00 31.31 29.39 1jck n TRP 242 CO 0.00 0.00 0.00 0.20 -2.02 0.00 0.00 177.69 175.87 1jck s GLY 243 N -1.66 2.93 -0.32 6.99 0.00 -0.64 -4.92 107.32 109.70 1jck s GLY 243 Ca 0.02 0.72 -0.11 0.00 0.00 0.00 0.00 44.72 45.34 1jck s GLY 243 CO 0.01 1.23 0.20 0.50 0.00 0.00 0.00 173.10 175.05 1jck s ARG 244 N -1.81 3.47 0.10 2.90 0.52 -0.39 -3.76 118.95 119.97 1jck s ARG 244 Ca 0.49 -0.65 -0.10 0.00 -0.52 0.00 0.00 55.73 54.95 1jck s ARG 244 Cb -0.25 -3.70 -0.06 0.00 0.52 0.00 0.00 34.95 31.45 1jck s ARG 244 CO 0.32 -0.41 0.16 0.00 0.02 0.00 0.00 175.30 175.39 1jck n ALA 245 N 5.06 -1.80 1.39 2.13 0.00 -1.24 -3.98 120.51 122.08 1jck n ALA 245 Ca -0.13 0.14 0.14 0.00 0.00 0.00 0.00 53.44 53.58 1jck n ALA 245 Cb 0.50 -0.61 0.43 0.00 0.00 0.00 0.00 19.45 19.77 1jck n ALA 245 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25