#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jay s THR 59 N 0.00 4.41 -0.09 1.09 2.01 -1.26 -3.82 115.64 117.99 2jay s THR 59 Ca 0.00 1.83 0.01 0.00 0.31 0.00 0.00 61.69 63.84 2jay s THR 59 Cb 0.00 -4.17 0.02 0.00 0.01 0.00 0.00 72.50 68.36 2jay s THR 59 CO 0.00 0.20 -0.10 -0.63 -0.69 0.00 0.00 174.62 173.40 2jay s ILE 60 N 0.62 1.09 0.13 1.82 1.09 0.58 -1.67 121.20 124.85 2jay s ILE 60 Ca 0.52 -0.39 0.07 0.00 -1.10 0.00 0.00 60.65 59.75 2jay s ILE 60 Cb -0.25 -1.04 -0.04 0.00 -1.06 0.00 0.00 42.46 40.07 2jay s ILE 60 CO 0.30 0.36 -0.08 0.68 -0.10 0.00 0.00 174.94 176.10 2jay s VAL 61 N 1.14 3.40 -0.14 2.92 -7.23 0.59 -1.22 120.40 119.86 2jay s VAL 61 Ca -0.06 -1.36 -0.07 0.00 -1.81 0.00 0.00 61.98 58.69 2jay s VAL 61 Cb -0.14 -2.63 0.06 0.00 0.56 0.00 0.00 36.38 34.22 2jay s VAL 61 CO -0.02 0.04 0.32 0.00 -0.31 0.00 0.00 175.10 175.12 2jay s ALA 62 N -1.39 -0.76 0.00 1.32 0.00 -0.33 -0.72 121.76 119.88 2jay s ALA 62 Ca 0.23 1.21 0.00 0.00 0.00 0.00 0.00 51.96 53.40 2jay s ALA 62 Cb -0.10 -0.82 -0.00 0.00 0.00 0.00 0.00 23.12 22.19 2jay s ALA 62 CO 0.15 -0.31 -0.01 -0.48 0.00 0.00 0.00 175.76 175.11 2jay s LEU 63 N 1.53 2.04 0.29 0.00 0.05 -0.36 -0.71 118.68 121.51 2jay s LEU 63 Ca -0.08 -0.10 -0.28 0.00 0.05 0.00 0.00 54.13 53.73 2jay s LEU 63 Cb -0.10 -0.03 -0.09 0.00 -2.05 0.00 0.00 46.19 43.92 2jay s LEU 63 CO -0.10 -0.04 0.96 -0.54 -0.55 0.00 0.00 176.35 176.08 2jay s LYS 64 N -0.26 4.69 0.08 1.48 1.02 0.15 -1.75 119.74 125.15 2jay s LYS 64 Ca -0.02 1.46 0.02 0.00 0.02 0.00 0.00 55.97 57.44 2jay s LYS 64 Cb -0.02 -3.04 -0.04 0.00 -0.52 0.00 0.00 37.83 34.22 2jay s LYS 64 CO -0.00 0.35 -0.07 1.52 -0.92 0.00 0.00 175.35 176.24 2jay s TYR 65 N -1.38 0.83 -0.68 3.18 -0.85 -0.47 -4.93 117.35 113.05 2jay s TYR 65 Ca 0.46 -0.81 -0.25 0.00 -0.52 0.00 0.00 57.07 55.94 2jay s TYR 65 Cb -0.23 -0.48 -0.12 0.00 0.38 0.00 0.00 41.96 41.50 2jay s TYR 65 CO 0.29 -0.14 2.42 -2.30 -1.52 0.00 0.00 175.55 174.30 2jay n PRO 66 N 0.34 0.72 0.00 -3.49 -0.02 -1.26 -1.38 135.00 129.91 2jay n PRO 66 Ca -0.15 -0.41 0.00 0.00 -2.02 0.00 0.00 63.50 60.92 2jay n PRO 66 Cb 0.59 -3.38 0.00 0.00 -0.02 0.00 0.00 33.50 30.69 2jay n PRO 66 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2jay n GLY 67 N 6.39 2.50 0.00 -1.23 0.00 0.71 -4.73 105.19 108.84 2jay n GLY 67 Ca 0.44 -0.25 0.00 0.00 0.00 0.00 0.00 46.02 46.22 2jay n GLY 67 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2jay n GLY 68 N 0.00 -0.86 3.14 -0.02 0.00 -0.48 -4.05 105.19 102.92 2jay n GLY 68 Ca 0.00 0.01 -0.12 0.00 0.00 0.00 0.00 46.02 45.91 2jay n GLY 68 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2jay s VAL 69 N -3.18 0.02 -0.09 1.61 0.11 -0.13 -1.37 120.40 117.37 2jay s VAL 69 Ca 0.00 -0.19 0.04 0.00 -2.93 0.00 0.00 61.98 58.90 2jay s VAL 69 Cb 0.00 -0.40 -0.01 0.00 -1.53 0.00 0.00 36.38 34.44 2jay s VAL 69 CO 0.00 -0.11 -0.22 0.54 -3.33 0.00 0.00 175.10 171.98 2jay s VAL 70 N -0.35 2.25 -0.13 2.04 0.11 -0.72 -0.86 120.40 122.75 2jay s VAL 70 Ca -0.05 -0.97 0.03 0.00 -2.93 0.00 0.00 61.98 58.06 2jay s VAL 70 Cb -0.03 -1.86 0.01 0.00 -1.53 0.00 0.00 36.38 32.97 2jay s VAL 70 CO 0.01 0.56 -0.21 -0.32 -3.33 0.00 0.00 175.10 171.81 2jay s MET 71 N 0.10 2.90 -0.02 1.54 1.75 -0.36 -1.22 119.30 123.98 2jay s MET 71 Ca -0.11 -0.81 0.04 0.00 -1.25 0.00 0.00 55.69 53.56 2jay s MET 71 Cb -0.16 -2.32 -0.00 0.00 2.84 0.00 0.00 34.83 35.19 2jay s MET 71 CO 0.06 0.02 -0.13 0.00 -0.65 0.00 0.00 175.02 174.32 2jay s ALA 72 N 0.75 1.14 0.02 4.11 0.00 0.10 -0.22 121.76 127.66 2jay s ALA 72 Ca -0.09 -0.52 0.02 0.00 0.00 0.00 0.00 51.96 51.36 2jay s ALA 72 Cb -0.16 -0.36 -0.01 0.00 0.00 0.00 0.00 23.12 22.59 2jay s ALA 72 CO 0.00 0.23 -0.06 0.20 0.00 0.00 0.00 175.76 176.13 2jay s GLY 73 N -0.04 0.37 0.53 0.00 0.00 -0.48 -0.30 107.32 107.40 2jay s GLY 73 Ca -0.00 -0.48 -0.22 0.00 0.00 0.00 0.00 44.72 44.02 2jay s GLY 73 CO 0.01 -0.49 1.30 0.99 0.00 0.00 0.00 173.10 174.91 2jay s ASP 74 N -0.82 5.47 0.24 1.64 1.01 -0.67 -2.01 116.67 121.53 2jay s ASP 74 Ca -0.04 2.63 0.01 0.00 0.71 0.00 0.00 52.55 55.86 2jay s ASP 74 Cb -0.06 -2.63 -0.04 0.00 1.01 0.00 0.00 42.92 41.21 2jay s ASP 74 CO 0.00 -1.42 0.15 0.00 0.21 0.00 0.00 175.17 174.11 2jay s ARG 75 N -2.89 1.37 0.00 8.23 1.70 -1.26 -4.55 118.95 121.55 2jay s ARG 75 Ca 0.70 -1.75 0.00 0.00 -0.47 0.00 0.00 55.73 54.22 2jay s ARG 75 Cb -0.37 0.15 0.00 0.00 -0.57 0.00 0.00 34.95 34.17 2jay s ARG 75 CO 0.44 -0.42 0.00 2.89 -1.08 0.00 0.00 175.30 177.12 2jay n ARG 76 N -0.39 0.00 -0.77 3.89 1.85 -1.26 -4.80 116.66 115.17 2jay n ARG 76 Ca 0.02 0.00 -0.23 0.00 -1.00 0.00 0.00 57.85 56.64 2jay n ARG 76 Cb 0.65 0.00 -0.02 0.00 -1.05 0.00 0.00 32.46 32.04 2jay n ARG 76 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 2jay n GLY 85 N 0.00 3.15 3.81 2.89 0.00 -1.26 -5.05 105.19 108.73 2jay n GLY 85 Ca 0.00 -0.88 -0.31 0.00 0.00 0.00 0.00 46.02 44.83 2jay n GLY 85 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 2jay s ARG 86 N 3.40 2.69 0.23 1.61 1.70 -1.26 -5.02 118.95 122.30 2jay s ARG 86 Ca 0.41 0.95 -0.30 0.00 -0.47 0.00 0.00 55.73 56.33 2jay s ARG 86 Cb 0.11 -1.96 -0.09 0.00 -0.57 0.00 0.00 34.95 32.43 2jay s ARG 86 CO -0.03 -1.27 1.24 -0.51 -1.08 0.00 0.00 175.30 173.64 2jay s ASP 87 N -3.73 7.00 0.00 -2.89 1.01 -1.26 -4.93 116.67 111.86 2jay s ASP 87 Ca 0.59 2.38 0.00 0.00 0.71 0.00 0.00 52.55 56.23 2jay s ASP 87 Cb -0.15 -2.62 0.00 0.00 1.01 0.00 0.00 42.92 41.17 2jay s ASP 87 CO 0.55 -0.42 0.00 1.33 0.21 0.00 0.00 175.17 176.85 2jay n VAL 88 N 2.04 0.00 -2.39 -1.27 0.24 -1.26 -4.51 118.33 111.19 2jay n VAL 88 Ca 0.03 0.00 -0.33 0.00 -2.04 0.00 0.00 64.34 62.00 2jay n VAL 88 Cb 0.43 -0.47 -0.03 0.00 -1.47 0.00 0.00 33.84 32.30 2jay n VAL 88 CO 0.00 0.00 0.00 -0.60 -2.14 0.00 0.00 176.83 174.09 2jay s ARG 89 N -1.57 3.76 0.00 7.34 3.52 -1.26 -4.19 118.95 126.55 2jay s ARG 89 Ca 0.00 1.15 0.00 0.00 -0.13 0.00 0.00 55.73 56.75 2jay s ARG 89 Cb 0.00 -2.10 0.00 0.00 -1.56 0.00 0.00 34.95 31.29 2jay s ARG 89 CO 0.00 -0.44 0.01 1.63 -0.81 0.00 0.00 175.30 175.69 2jay n LYS 90 N -1.44 3.65 -4.22 5.12 5.02 -1.26 -4.62 118.16 120.41 2jay n LYS 90 Ca 0.08 -0.01 -0.34 0.00 -2.02 0.00 0.00 58.31 56.02 2jay n LYS 90 Cb 0.53 -0.28 -0.14 0.00 -0.02 0.00 0.00 35.03 35.12 2jay n LYS 90 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 2jay s VAL 91 N -0.52 3.17 -0.01 -0.18 1.01 -1.26 -2.47 120.40 120.14 2jay s VAL 91 Ca 0.00 -0.58 0.02 0.00 0.00 0.00 0.00 61.98 61.42 2jay s VAL 91 Cb 0.00 -2.40 -0.00 0.00 0.00 0.00 0.00 36.38 33.98 2jay s VAL 91 CO 0.00 0.47 -0.07 -0.31 0.00 0.00 0.00 175.10 175.19 2jay s TYR 92 N 1.06 0.65 -0.09 5.22 2.02 -0.44 -4.95 117.35 120.80 2jay s TYR 92 Ca 0.00 -0.13 -0.30 0.00 -0.37 0.00 0.00 57.07 56.28 2jay s TYR 92 Cb -0.15 -0.44 -0.03 0.00 -0.40 0.00 0.00 41.96 40.94 2jay s TYR 92 CO -0.01 -0.03 1.36 0.42 -1.57 0.00 0.00 175.55 175.72 2jay s ILE 93 N -0.02 4.02 -0.19 2.71 1.01 -1.26 -0.86 121.20 126.62 2jay s ILE 93 Ca 0.01 1.29 0.09 0.00 0.00 0.00 0.00 60.65 62.04 2jay s ILE 93 Cb -0.04 -3.83 -0.22 0.00 0.01 0.00 0.00 42.46 38.37 2jay s ILE 93 CO -0.00 -0.08 0.10 0.35 0.00 0.00 0.00 174.94 175.31 2jay n THR 94 N 5.15 1.50 -3.75 2.92 -2.24 -0.40 -4.95 114.28 112.51 2jay n THR 94 Ca 0.14 -0.74 -0.06 0.00 -2.27 0.00 0.00 64.05 61.12 2jay n THR 94 Cb 0.44 -1.00 -0.01 0.00 -2.10 0.00 0.00 70.33 67.66 2jay n THR 94 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 2jay n ASP 95 N -3.04 -0.64 0.31 3.42 5.75 -1.20 -4.45 116.55 116.70 2jay n ASP 95 Ca -0.35 -1.82 0.15 0.00 -0.01 0.00 0.00 54.79 52.76 2jay n ASP 95 Cb 1.08 1.17 0.78 0.00 -1.03 0.00 0.00 41.12 43.12 2jay n ASP 95 CO 0.00 0.00 0.00 0.44 -0.11 0.00 0.00 177.20 177.53 2jay h ASP 96 N 0.87 0.00 0.00 -1.12 3.32 -1.96 -2.93 116.42 114.61 2jay h ASP 96 Ca -0.12 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.93 2jay h ASP 96 Cb 0.53 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.08 2jay h ASP 96 CO 0.16 0.00 -0.08 -1.22 -1.72 0.00 0.00 179.24 176.39 2jay n TYR 97 N -2.77 0.00 -4.19 4.55 4.01 -1.26 -1.02 117.16 116.48 2jay n TYR 97 Ca -0.02 -0.08 -0.15 0.00 -0.16 0.00 0.00 57.90 57.50 2jay n TYR 97 Cb 0.33 -0.02 -0.11 0.00 -0.31 0.00 0.00 39.34 39.24 2jay n TYR 97 CO 0.00 0.00 0.00 0.95 -0.46 0.00 0.00 176.86 177.35 2jay s THR 98 N -0.17 1.00 -0.11 -0.72 -4.23 -1.11 -0.95 115.64 109.34 2jay s THR 98 Ca 0.01 -1.68 -0.07 0.00 -1.18 0.00 0.00 61.69 58.77 2jay s THR 98 Cb 0.01 -1.41 0.04 0.00 1.34 0.00 0.00 72.50 72.48 2jay s THR 98 CO 0.00 -0.56 0.28 0.00 -0.54 0.00 0.00 174.62 173.80 2jay s ALA 99 N -2.47 -0.66 -0.11 3.99 0.00 0.73 -1.27 121.76 121.96 2jay s ALA 99 Ca 0.07 1.01 -0.02 0.00 0.00 0.00 0.00 51.96 53.02 2jay s ALA 99 Cb -0.03 -0.62 -0.03 0.00 0.00 0.00 0.00 23.12 22.44 2jay s ALA 99 CO 0.00 -0.19 -0.03 0.95 0.00 0.00 0.00 175.76 176.50 2jay s THR 100 N 0.97 4.04 -0.23 0.00 -4.23 -0.04 -0.87 115.64 115.27 2jay s THR 100 Ca -0.07 -0.33 0.00 0.00 -1.18 0.00 0.00 61.69 60.11 2jay s THR 100 Cb -0.08 -2.72 0.06 0.00 1.34 0.00 0.00 72.50 71.11 2jay s THR 100 CO -0.07 0.56 -0.04 -0.83 -0.54 0.00 0.00 174.62 173.70 2jay s GLY 101 N -0.39 1.22 -0.22 3.99 0.00 -0.13 -1.33 107.32 110.46 2jay s GLY 101 Ca 0.07 -1.29 -0.15 0.00 0.00 0.00 0.00 44.72 43.35 2jay s GLY 101 CO 0.02 0.99 0.36 -0.42 0.00 0.00 0.00 173.10 174.06 2jay s ILE 102 N 1.45 5.21 -0.65 0.90 1.01 -1.03 -0.81 121.20 127.28 2jay s ILE 102 Ca -0.05 0.61 -0.27 0.00 0.00 0.00 0.00 60.65 60.94 2jay s ILE 102 Cb -0.19 -3.69 0.00 0.00 0.01 0.00 0.00 42.46 38.59 2jay s ILE 102 CO -0.07 0.24 1.57 0.00 0.00 0.00 0.00 174.94 176.68 2jay s ALA 103 N 1.45 2.51 0.00 9.38 0.00 -1.17 -4.78 121.76 129.15 2jay s ALA 103 Ca 0.17 -0.92 0.00 0.00 0.00 0.00 0.00 51.96 51.21 2jay s ALA 103 Cb -0.15 -4.25 0.00 0.00 0.00 0.00 0.00 23.12 18.72 2jay s ALA 103 CO 0.08 -3.49 0.00 0.41 0.00 0.00 0.00 175.76 172.76 2jay n GLY 104 N 5.50 -0.49 3.79 0.00 0.00 -1.26 -4.10 105.19 108.63 2jay n GLY 104 Ca 0.12 -1.07 -0.35 0.00 0.00 0.00 0.00 46.02 44.73 2jay n GLY 104 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2jay s THR 105 N -3.08 3.75 0.33 2.61 -4.23 -1.26 -4.39 115.64 109.37 2jay s THR 105 Ca 0.00 1.16 0.05 0.00 -1.18 0.00 0.00 61.69 61.73 2jay s THR 105 Cb 0.00 -3.51 0.14 0.00 1.34 0.00 0.00 72.50 70.46 2jay s THR 105 CO 0.00 -0.16 1.85 0.00 -0.54 0.00 0.00 174.62 175.77 2jay h ALA 106 N 1.84 1.34 -0.02 3.99 0.00 -1.83 -1.09 119.26 123.49 2jay h ALA 106 Ca -0.49 -0.24 -0.14 0.00 0.00 0.00 0.00 54.91 54.05 2jay h ALA 106 Cb 1.22 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.86 2jay h ALA 106 CO 0.60 0.45 -0.63 0.00 0.00 0.00 0.00 179.25 179.67 2jay h ALA 107 N 1.49 0.92 -0.18 0.00 0.00 -1.85 -1.25 119.26 118.39 2jay h ALA 107 Ca 0.08 -0.57 -0.19 0.00 0.00 0.00 0.00 54.91 54.24 2jay h ALA 107 Cb 0.42 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.11 2jay h ALA 107 CO 0.02 0.77 -0.64 0.28 0.00 0.00 0.00 179.25 179.68 2jay h VAL 108 N 0.05 1.31 -0.63 0.00 2.07 -1.83 -2.84 116.25 114.38 2jay h VAL 108 Ca -0.01 -1.90 -0.09 0.00 0.82 0.00 0.00 66.70 65.53 2jay h VAL 108 Cb 1.12 1.86 -0.02 0.00 -1.52 0.00 0.00 31.29 32.72 2jay h VAL 108 CO 0.09 0.59 0.04 0.00 0.02 0.00 0.00 177.57 178.31 2jay h ALA 109 N 0.81 0.87 0.01 1.67 0.00 -0.97 -2.15 119.26 119.50 2jay h ALA 109 Ca -0.01 -0.30 -0.24 0.00 0.00 0.00 0.00 54.91 54.36 2jay h ALA 109 Cb 1.22 -0.24 0.01 0.00 0.00 0.00 0.00 17.79 18.79 2jay h ALA 109 CO 0.13 0.67 -0.98 -0.24 0.00 0.00 0.00 179.25 178.83 2jay h VAL 110 N 1.00 1.38 -0.09 0.00 3.04 -1.29 -2.49 116.25 117.78 2jay h VAL 110 Ca 0.18 -2.43 -0.18 0.00 -1.01 0.00 0.00 66.70 63.26 2jay h VAL 110 Cb 0.52 2.43 -0.00 0.00 -2.01 0.00 0.00 31.29 32.23 2jay h VAL 110 CO 0.02 0.73 -0.72 -0.08 -1.01 0.00 0.00 177.57 176.52 2jay h GLU 111 N 0.26 0.44 -0.54 4.17 4.57 -1.52 -1.51 114.58 120.46 2jay h GLU 111 Ca -0.09 -0.36 -0.11 0.00 -1.18 0.00 0.00 59.36 57.62 2jay h GLU 111 Cb 1.62 0.07 -0.02 0.00 -0.16 0.00 0.00 28.75 30.27 2jay h GLU 111 CO 0.17 0.99 -0.11 0.35 -1.18 0.00 0.00 179.01 179.24 2jay h PHE 112 N 0.31 1.14 -0.26 0.92 3.57 -1.45 -2.32 116.94 118.85 2jay h PHE 112 Ca -0.03 -0.23 -0.11 0.00 3.53 0.00 0.00 57.97 61.13 2jay h PHE 112 Cb 1.29 -0.28 -0.01 0.00 2.79 0.00 0.00 35.95 39.74 2jay h PHE 112 CO 0.05 1.06 -0.30 0.00 -2.23 0.00 0.00 178.31 176.88 2jay h ALA 113 N 0.95 1.00 -0.17 2.41 0.00 -1.35 -2.36 119.26 119.75 2jay h ALA 113 Ca 0.14 -0.38 -0.05 0.00 0.00 0.00 0.00 54.91 54.62 2jay h ALA 113 Cb 0.67 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 18.34 2jay h ALA 113 CO 0.05 0.60 -0.09 -0.09 0.00 0.00 0.00 179.25 179.71 2jay h ARG 114 N 0.46 0.36 -0.54 0.00 2.43 -1.18 -0.61 114.38 115.30 2jay h ARG 114 Ca 0.06 -0.16 -0.03 0.00 -0.81 0.00 0.00 59.98 59.04 2jay h ARG 114 Cb 0.75 -0.01 -0.03 0.00 -0.42 0.00 0.00 29.97 30.27 2jay h ARG 114 CO 0.06 0.68 0.21 -0.07 -1.51 0.00 0.00 179.97 179.33 2jay h LEU 115 N 0.03 0.71 -0.44 3.80 3.38 -1.41 -0.49 115.31 120.90 2jay h LEU 115 Ca 0.04 -0.09 -0.18 0.00 0.09 0.00 0.00 57.88 57.74 2jay h LEU 115 Cb 0.58 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 41.14 2jay h LEU 115 CO 0.03 0.65 -0.70 0.22 0.09 0.00 0.00 178.44 178.73 2jay h TYR 116 N 0.77 0.53 -0.42 1.13 3.20 -1.39 -1.83 116.97 118.97 2jay h TYR 116 Ca 0.18 -0.23 -0.10 0.00 3.14 0.00 0.00 58.73 61.73 2jay h TYR 116 Cb 0.17 -0.08 -0.02 0.00 1.54 0.00 0.00 36.73 38.34 2jay h TYR 116 CO 0.01 0.97 -0.15 0.00 -1.64 0.00 0.00 178.16 177.36 2jay h ALA 117 N 0.97 0.96 -0.26 1.82 0.00 -0.64 -2.08 119.26 120.03 2jay h ALA 117 Ca -0.02 -0.33 -0.04 0.00 0.00 0.00 0.00 54.91 54.51 2jay h ALA 117 Cb 1.27 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.88 2jay h ALA 117 CO 0.12 0.61 -0.01 0.28 0.00 0.00 0.00 179.25 180.25 2jay h VAL 118 N 0.69 1.26 -0.56 0.00 2.07 -1.05 -2.40 116.25 116.27 2jay h VAL 118 Ca 0.11 -0.94 0.04 0.00 0.82 0.00 0.00 66.70 66.73 2jay h VAL 118 Cb 0.63 1.35 -0.04 0.00 -1.52 0.00 0.00 31.29 31.71 2jay h VAL 118 CO 0.04 0.30 0.31 -0.08 0.02 0.00 0.00 177.57 178.16 2jay h GLU 119 N 0.25 0.58 -0.37 1.57 4.57 -1.19 0.24 114.58 120.24 2jay h GLU 119 Ca 0.07 -0.03 -0.15 0.00 -1.18 0.00 0.00 59.36 58.07 2jay h GLU 119 Cb 0.44 -0.13 -0.01 0.00 -0.16 0.00 0.00 28.75 28.89 2jay h GLU 119 CO 0.02 0.38 -0.37 -0.07 -1.18 0.00 0.00 179.01 177.79 2jay h LEU 120 N 0.60 0.96 -0.31 1.64 3.38 -1.41 -2.99 115.31 117.19 2jay h LEU 120 Ca 0.24 -0.47 -0.20 0.00 0.09 0.00 0.00 57.88 57.54 2jay h LEU 120 Cb 0.11 -0.27 0.00 0.00 0.09 0.00 0.00 40.66 40.59 2jay h LEU 120 CO -0.14 1.23 -0.77 -0.08 0.09 0.00 0.00 178.44 178.77 2jay h GLU 121 N 0.71 0.51 -0.92 1.13 4.57 -1.18 -2.86 114.58 116.54 2jay h GLU 121 Ca 0.06 -0.43 -0.00 0.00 -1.18 0.00 0.00 59.36 57.80 2jay h GLU 121 Cb 0.96 0.10 -0.04 0.00 -0.16 0.00 0.00 28.75 29.60 2jay h GLU 121 CO 0.09 1.06 0.56 1.25 -1.18 0.00 0.00 179.01 180.80 2jay h HIS 122 N 0.34 1.20 -0.22 0.92 2.76 -0.56 -1.24 115.15 118.35 2jay h HIS 122 Ca -0.04 0.00 -0.02 0.00 -2.20 0.00 0.00 60.37 58.10 2jay h HIS 122 Cb 1.37 -0.40 -0.01 0.00 1.55 0.00 0.00 27.41 29.93 2jay h HIS 122 CO 0.06 0.79 0.04 -0.92 -1.30 0.00 0.00 177.93 176.60 2jay h TYR 123 N 1.26 0.38 -0.65 5.26 3.20 -1.52 -2.30 116.97 122.61 2jay h TYR 123 Ca 0.33 -0.05 -0.07 0.00 3.14 0.00 0.00 58.73 62.08 2jay h TYR 123 Cb -0.07 -0.11 -0.03 0.00 1.54 0.00 0.00 36.73 38.07 2jay h TYR 123 CO 0.00 0.49 0.13 1.49 -1.64 0.00 0.00 178.16 178.63 2jay h GLU 124 N 0.17 1.04 -0.01 1.82 4.81 -1.27 0.11 114.58 121.24 2jay h GLU 124 Ca 0.07 -0.25 -0.11 0.00 -0.13 0.00 0.00 59.36 58.93 2jay h GLU 124 Cb 0.31 -0.14 -0.02 0.00 0.63 0.00 0.00 28.75 29.54 2jay h GLU 124 CO 0.00 0.94 -0.52 0.87 -0.73 0.00 0.00 179.01 179.57 2jay h LYS 125 N 0.98 0.04 0.01 1.92 1.57 -1.24 0.51 116.57 120.36 2jay h LYS 125 Ca 0.20 -0.02 -0.29 0.00 -1.87 0.00 0.00 60.65 58.68 2jay h LYS 125 Cb 0.38 0.00 -0.04 0.00 0.08 0.00 0.00 32.23 32.65 2jay h LYS 125 CO 0.01 0.55 -1.62 1.25 -0.57 0.00 0.00 179.45 179.06 2jay h LEU 126 N 0.03 0.04 0.00 2.94 5.85 -1.07 -3.38 115.31 119.72 2jay h LEU 126 Ca -0.00 -0.08 0.00 0.00 0.84 0.00 0.00 57.88 58.64 2jay h LEU 126 Cb 0.93 -0.01 0.00 0.00 0.37 0.00 0.00 40.66 41.95 2jay h LEU 126 CO 0.07 1.07 -1.89 -0.62 -0.34 0.00 0.00 178.44 176.73 2jay n GLU 127 N -3.13 0.60 -0.93 1.25 -0.58 0.34 -4.99 120.64 113.21 2jay n GLU 127 Ca -0.15 -0.18 0.00 0.00 -0.42 0.00 0.00 57.16 56.41 2jay n GLU 127 Cb 1.04 -1.47 0.00 0.00 -0.57 0.00 0.00 31.44 30.43 2jay n GLU 127 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2jay n GLY 128 N 1.37 0.65 3.27 0.62 0.00 0.17 -5.01 105.19 106.26 2jay n GLY 128 Ca -0.03 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.86 2jay n GLY 128 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2jay s VAL 129 N -2.49 -0.01 0.75 1.61 0.11 -1.20 -5.02 120.40 114.16 2jay s VAL 129 Ca 0.00 0.04 -0.13 0.00 -2.93 0.00 0.00 61.98 58.96 2jay s VAL 129 Cb 0.00 -0.57 0.05 0.00 -1.53 0.00 0.00 36.38 34.33 2jay s VAL 129 CO 0.00 0.02 1.13 -2.84 -3.33 0.00 0.00 175.10 170.08 2jay s PRO 130 N 0.67 2.19 0.48 1.54 0.02 -1.26 -4.12 135.00 134.52 2jay s PRO 130 Ca -0.04 1.43 -0.24 0.00 0.02 0.00 0.00 61.00 62.17 2jay s PRO 130 Cb -0.05 -1.87 -0.07 0.00 0.02 0.00 0.00 34.50 32.53 2jay s PRO 130 CO -0.05 -1.73 1.36 -0.51 -0.33 0.00 0.00 177.00 175.74 2jay s LEU 131 N -5.54 4.03 0.97 -5.54 1.43 -1.26 -5.00 118.68 107.78 2jay s LEU 131 Ca 0.67 2.77 -0.11 0.00 -1.03 0.00 0.00 54.13 56.42 2jay s LEU 131 Cb -0.22 -4.07 0.18 0.00 0.03 0.00 0.00 46.19 42.11 2jay s LEU 131 CO 0.49 -1.24 1.10 0.42 0.23 0.00 0.00 176.35 177.36 2jay s THR 132 N -1.28 2.24 0.42 5.49 -4.23 -1.26 -4.70 115.64 112.33 2jay s THR 132 Ca 0.64 0.08 0.09 0.00 -1.18 0.00 0.00 61.69 61.32 2jay s THR 132 Cb -0.40 -2.21 0.25 0.00 1.34 0.00 0.00 72.50 71.47 2jay s THR 132 CO 0.50 -0.10 2.05 0.15 -0.54 0.00 0.00 174.62 176.68 2jay h PHE 133 N -1.99 0.38 -0.23 3.99 3.57 -1.96 0.93 116.94 121.62 2jay h PHE 133 Ca -0.49 -0.00 -0.08 0.00 3.53 0.00 0.00 57.97 60.93 2jay h PHE 133 Cb 1.29 -0.12 -0.01 0.00 2.79 0.00 0.00 35.95 39.89 2jay h PHE 133 CO 0.43 0.28 -0.20 0.00 -2.23 0.00 0.00 178.31 176.59 2jay h ALA 134 N 1.77 1.24 -0.32 2.41 0.00 -2.00 -2.11 119.26 120.24 2jay h ALA 134 Ca 0.10 -0.30 -0.13 0.00 0.00 0.00 0.00 54.91 54.59 2jay h ALA 134 Cb 0.03 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.69 2jay h ALA 134 CO -0.02 0.50 -0.33 0.78 0.00 0.00 0.00 179.25 180.18 2jay h GLY 135 N 0.96 0.78 1.09 0.00 0.00 -1.23 -2.52 103.07 102.14 2jay h GLY 135 Ca 0.06 -0.74 -0.10 0.00 0.00 0.00 0.00 47.33 46.55 2jay h GLY 135 CO 0.04 0.67 -0.02 0.50 0.00 0.00 0.00 176.54 177.73 2jay h LYS 136 N 0.60 1.07 -0.33 4.80 1.57 -0.79 -2.43 116.57 121.07 2jay h LYS 136 Ca 0.06 -0.35 -0.02 0.00 -1.87 0.00 0.00 60.65 58.47 2jay h LYS 136 Cb 0.86 -0.09 -0.01 0.00 0.08 0.00 0.00 32.23 33.06 2jay h LYS 136 CO 0.07 1.06 0.11 0.82 -0.57 0.00 0.00 179.45 180.94 2jay h ILE 137 N 0.97 1.20 -0.60 1.86 2.04 -1.38 -2.84 117.51 118.76 2jay h ILE 137 Ca 0.17 -0.63 0.05 0.00 1.00 0.00 0.00 64.86 65.44 2jay h ILE 137 Cb 0.58 1.00 -0.05 0.00 -0.74 0.00 0.00 36.82 37.61 2jay h ILE 137 CO 0.03 0.22 0.33 -1.13 0.00 0.00 0.00 178.15 177.61 2jay h ASN 138 N 0.38 0.50 0.44 1.72 -1.24 -1.33 0.23 115.58 116.28 2jay h ASN 138 Ca 0.11 0.02 -0.08 0.00 0.71 0.00 0.00 56.30 57.07 2jay h ASN 138 Cb 0.23 -0.07 -0.01 0.00 0.73 0.00 0.00 38.32 39.19 2jay h ASN 138 CO -0.01 0.33 -0.36 0.03 -1.29 0.00 0.00 177.43 176.14 2jay h ARG 139 N 0.63 0.00 -0.01 6.67 2.47 -1.41 -1.00 114.38 121.72 2jay h ARG 139 Ca 0.26 0.00 -0.22 0.00 -1.26 0.00 0.00 59.98 58.77 2jay h ARG 139 Cb 0.14 0.00 -0.00 0.00 -1.65 0.00 0.00 29.97 28.46 2jay h ARG 139 CO -0.16 0.36 -0.90 1.25 0.56 0.00 0.00 179.97 181.08 2jay h LEU 140 N 0.00 0.49 -0.72 3.04 5.85 -1.17 -3.07 115.31 119.73 2jay h LEU 140 Ca -0.00 -0.38 -0.12 0.00 0.84 0.00 0.00 57.88 58.22 2jay h LEU 140 Cb 0.68 -0.15 -0.01 0.00 0.37 0.00 0.00 40.66 41.55 2jay h LEU 140 CO 0.05 1.17 -0.26 0.00 -0.34 0.00 0.00 178.44 179.06 2jay h ALA 141 N 0.80 0.90 -0.41 1.25 0.00 -0.37 -2.36 119.26 119.07 2jay h ALA 141 Ca -0.07 -0.38 -0.10 0.00 0.00 0.00 0.00 54.91 54.36 2jay h ALA 141 Cb 1.52 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 19.16 2jay h ALA 141 CO 0.15 0.62 -0.15 0.82 0.00 0.00 0.00 179.25 180.69 2jay h ILE 142 N 0.60 1.26 -0.50 0.00 2.04 -1.27 -1.27 117.51 118.38 2jay h ILE 142 Ca 0.08 -1.23 -0.08 0.00 1.00 0.00 0.00 64.86 64.63 2jay h ILE 142 Cb 0.76 1.11 -0.02 0.00 -0.74 0.00 0.00 36.82 37.93 2jay h ILE 142 CO 0.06 0.42 -0.02 0.24 0.00 0.00 0.00 178.15 178.85 2jay h MET 143 N 0.68 0.84 -0.24 2.37 2.86 -1.41 -1.77 114.93 118.27 2jay h MET 143 Ca 0.11 -0.24 -0.13 0.00 -2.06 0.00 0.00 59.70 57.37 2jay h MET 143 Cb 0.64 -0.09 -0.00 0.00 0.06 0.00 0.00 31.60 32.21 2jay h MET 143 CO 0.05 0.86 -0.36 0.28 1.06 0.00 0.00 176.91 178.79 2jay h VAL 144 N 0.78 1.31 -0.93 -2.22 2.07 -1.30 -2.78 116.25 113.19 2jay h VAL 144 Ca 0.15 -1.56 0.06 0.00 0.82 0.00 0.00 66.70 66.16 2jay h VAL 144 Cb 0.50 1.73 -0.06 0.00 -1.52 0.00 0.00 31.29 31.94 2jay h VAL 144 CO 0.02 0.49 0.60 -0.09 0.02 0.00 0.00 177.57 178.62 2jay h ARG 145 N 0.39 1.06 -0.47 1.57 2.43 -1.07 -3.04 114.38 115.25 2jay h ARG 145 Ca 0.02 -0.06 -0.14 0.00 -0.81 0.00 0.00 59.98 58.99 2jay h ARG 145 Cb 0.95 -0.24 -0.09 0.00 -0.42 0.00 0.00 29.97 30.17 2jay h ARG 145 CO 0.08 0.70 0.09 0.41 -1.51 0.00 0.00 179.97 179.74 2jay n GLY 146 N -1.39 4.21 3.17 2.80 0.00 -0.68 -4.84 105.19 108.46 2jay n GLY 146 Ca 0.14 -1.09 -0.43 0.00 0.00 0.00 0.00 46.02 44.64 2jay n GLY 146 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 2jay n ASN 147 N -0.62 4.79 0.14 1.61 2.85 -1.05 -4.71 115.26 118.27 2jay n ASN 147 Ca 0.33 -2.96 0.01 0.00 -0.11 0.00 0.00 54.58 51.85 2jay n ASN 147 Cb 1.12 -1.62 0.11 0.00 1.24 0.00 0.00 39.78 40.64 2jay n ASN 147 CO 0.00 0.00 0.00 -0.07 -2.11 0.00 0.00 177.26 175.08 2jay h LEU 148 N 10.07 0.00 -0.97 1.20 4.07 -1.90 -3.08 115.31 124.70 2jay h LEU 148 Ca 0.43 0.00 -0.05 0.00 0.08 0.00 0.00 57.88 58.34 2jay h LEU 148 Cb 0.76 0.00 -0.03 0.00 1.08 0.00 0.00 40.66 42.47 2jay h LEU 148 CO 1.55 0.57 0.15 0.00 -1.08 0.00 0.00 178.44 179.64 2jay h ALA 149 N 1.43 1.16 0.05 1.53 0.00 -2.00 -0.60 119.26 120.83 2jay h ALA 149 Ca -0.01 -0.21 -0.23 0.00 0.00 0.00 0.00 54.91 54.46 2jay h ALA 149 Cb 1.28 -0.24 -0.00 0.00 0.00 0.00 0.00 17.79 18.83 2jay h ALA 149 CO 0.07 0.57 -1.04 0.00 0.00 0.00 0.00 179.25 178.85 2jay h ALA 150 N 1.29 0.31 -0.37 0.00 0.00 -1.87 -3.12 119.26 115.49 2jay h ALA 150 Ca 0.19 -0.81 -0.15 0.00 0.00 0.00 0.00 54.91 54.15 2jay h ALA 150 Cb 0.30 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.04 2jay h ALA 150 CO -0.00 0.96 -0.36 0.00 0.00 0.00 0.00 179.25 179.84 2jay h ALA 151 N 0.78 0.65 -0.00 0.00 0.00 -1.41 -0.75 119.26 118.52 2jay h ALA 151 Ca -0.08 -0.44 -0.12 0.00 0.00 0.00 0.00 54.91 54.27 2jay h ALA 151 Cb 1.73 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 19.38 2jay h ALA 151 CO 0.17 0.67 -0.56 0.52 0.00 0.00 0.00 179.25 180.05 2jay h MET 152 N 0.72 0.01 -0.02 0.00 2.86 -1.20 -3.22 114.93 114.08 2jay h MET 152 Ca 0.07 -0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.70 2jay h MET 152 Cb 0.94 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.60 2jay h MET 152 CO 0.09 0.57 -0.17 1.04 1.06 0.00 0.00 176.91 179.49 2jay n GLN 153 N -3.87 1.92 -2.49 1.72 6.02 -1.18 -4.96 117.38 114.54 2jay n GLN 153 Ca -0.01 -1.59 -0.14 0.00 -0.01 0.00 0.00 57.00 55.25 2jay n GLN 153 Cb 0.57 -1.47 0.01 0.00 1.02 0.00 0.00 30.24 30.37 2jay n GLN 153 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2jay n GLY 154 N 1.37 -0.14 3.81 1.08 0.00 -0.79 -5.01 105.19 105.51 2jay n GLY 154 Ca 0.12 -0.26 -0.36 0.00 0.00 0.00 0.00 46.02 45.52 2jay n GLY 154 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2jay s LEU 155 N -4.17 4.20 -0.07 0.99 1.43 -0.36 -5.05 118.68 115.66 2jay s LEU 155 Ca 0.09 0.36 -0.30 0.00 -1.03 0.00 0.00 54.13 53.25 2jay s LEU 155 Cb -0.04 -2.03 -0.03 0.00 0.03 0.00 0.00 46.19 44.12 2jay s LEU 155 CO 0.11 0.35 1.27 -0.76 0.23 0.00 0.00 176.35 177.55 2jay s LEU 156 N -0.68 4.26 -0.07 1.79 1.43 -1.26 -4.61 118.68 119.54 2jay s LEU 156 Ca 0.13 1.85 0.23 0.00 -1.03 0.00 0.00 54.13 55.30 2jay s LEU 156 Cb -0.12 -3.55 0.41 0.00 0.03 0.00 0.00 46.19 42.96 2jay s LEU 156 CO 0.02 -0.67 1.15 0.00 0.23 0.00 0.00 176.35 177.09 2jay n ALA 157 N 5.66 2.56 -2.60 4.21 0.00 -1.26 -4.29 120.51 124.79 2jay n ALA 157 Ca 0.12 -2.25 -0.42 0.00 0.00 0.00 0.00 53.44 50.89 2jay n ALA 157 Cb 0.45 -0.74 -0.04 0.00 0.00 0.00 0.00 19.45 19.12 2jay n ALA 157 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 2jay s LEU 158 N -1.01 4.04 0.25 0.00 1.43 -1.26 -4.97 118.68 117.17 2jay s LEU 158 Ca 0.28 0.53 -0.14 0.00 -1.03 0.00 0.00 54.13 53.78 2jay s LEU 158 Cb 0.34 -3.18 -0.08 0.00 0.03 0.00 0.00 46.19 43.30 2jay s LEU 158 CO -0.12 -0.80 0.64 -2.16 0.23 0.00 0.00 176.35 174.14 2jay s PRO 159 N 3.32 3.96 -0.12 1.29 0.04 -1.26 -3.03 135.00 139.20 2jay s PRO 159 Ca 0.36 0.53 -0.03 0.00 0.04 0.00 0.00 61.00 61.90 2jay s PRO 159 Cb -0.12 -2.64 -0.03 0.00 0.04 0.00 0.00 34.50 31.75 2jay s PRO 159 CO 0.18 0.29 -0.02 -1.17 0.04 0.00 0.00 177.00 176.32 2jay s LEU 160 N -2.64 3.40 -0.22 -3.56 2.96 0.01 -4.06 118.68 114.56 2jay s LEU 160 Ca 0.48 -0.01 -0.06 0.00 -0.22 0.00 0.00 54.13 54.32 2jay s LEU 160 Cb -0.12 -1.80 -0.03 0.00 0.50 0.00 0.00 46.19 44.75 2jay s LEU 160 CO 0.19 0.26 0.02 -0.22 -1.32 0.00 0.00 176.35 175.29 2jay s LEU 161 N -0.18 3.31 -0.20 -0.68 2.96 -0.85 -0.96 118.68 122.08 2jay s LEU 161 Ca 0.04 -0.21 -0.06 0.00 -0.22 0.00 0.00 54.13 53.68 2jay s LEU 161 Cb -0.13 -1.86 -0.03 0.00 0.50 0.00 0.00 46.19 44.67 2jay s LEU 161 CO 0.02 0.03 0.03 0.00 -1.32 0.00 0.00 176.35 175.12 2jay s ALA 162 N 1.21 3.19 0.08 5.97 0.00 -0.05 -1.29 121.76 130.87 2jay s ALA 162 Ca 0.04 -0.92 -0.05 0.00 0.00 0.00 0.00 51.96 51.03 2jay s ALA 162 Cb -0.15 -1.87 -0.02 0.00 0.00 0.00 0.00 23.12 21.08 2jay s ALA 162 CO 0.02 -0.07 0.10 0.20 0.00 0.00 0.00 175.76 176.01 2jay s GLY 163 N 0.86 0.33 -0.20 0.00 0.00 -0.04 -0.19 107.32 108.08 2jay s GLY 163 Ca 0.02 -0.93 0.00 0.00 0.00 0.00 0.00 44.72 43.82 2jay s GLY 163 CO 0.02 -1.05 -0.08 -0.47 0.00 0.00 0.00 173.10 171.52 2jay s TYR 164 N -3.90 2.21 -0.59 1.90 5.04 -0.13 0.72 117.35 122.60 2jay s TYR 164 Ca 0.08 -1.48 -0.28 0.00 -2.44 0.00 0.00 57.07 52.95 2jay s TYR 164 Cb 0.06 -1.54 0.03 0.00 0.35 0.00 0.00 41.96 40.86 2jay s TYR 164 CO -0.09 -0.71 1.19 0.34 -1.34 0.00 0.00 175.55 174.94 2jay s ASP 165 N 1.46 6.42 0.19 4.32 2.15 -0.57 -4.87 116.67 125.78 2jay s ASP 165 Ca -0.02 0.04 0.23 0.00 0.43 0.00 0.00 52.55 53.23 2jay s ASP 165 Cb -0.16 -2.55 0.91 0.00 -0.30 0.00 0.00 42.92 40.81 2jay s ASP 165 CO -0.08 -1.50 1.70 0.00 -0.17 0.00 0.00 175.17 175.12 2jay n ILE 166 N 6.63 0.76 1.11 4.11 0.13 -1.26 -2.57 119.36 128.26 2jay n ILE 166 Ca 0.08 0.11 0.12 0.00 -1.10 0.00 0.00 62.75 61.96 2jay n ILE 166 Cb 0.49 -0.98 0.25 0.00 -0.84 0.00 0.00 39.64 38.56 2jay n ILE 166 CO 0.00 0.00 0.00 1.41 2.80 0.00 0.00 176.55 180.76 2jay n HIS 167 N -2.09 0.00 -2.11 9.51 8.25 -1.26 -4.91 115.22 122.62 2jay n HIS 167 Ca 0.03 0.00 -0.41 0.00 -0.26 0.00 0.00 57.72 57.08 2jay n HIS 167 Cb 0.27 -0.15 -0.03 0.00 1.12 0.00 0.00 29.99 31.20 2jay n HIS 167 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2jay s ALA 168 N -2.74 3.57 0.36 -1.41 0.00 -1.06 -4.93 121.76 115.55 2jay s ALA 168 Ca 0.17 1.24 0.07 0.00 0.00 0.00 0.00 51.96 53.44 2jay s ALA 168 Cb 0.18 -3.51 0.69 0.00 0.00 0.00 0.00 23.12 20.48 2jay s ALA 168 CO 0.63 -0.65 1.89 0.77 0.00 0.00 0.00 175.76 178.40 2jay h SER 169 N 4.82 0.36 -3.58 0.00 0.02 -1.91 -3.37 113.55 109.89 2jay h SER 169 Ca -0.46 -0.07 -0.71 0.00 -0.84 0.00 0.00 61.79 59.71 2jay h SER 169 Cb 1.22 -0.09 -0.24 0.00 0.14 0.00 0.00 62.40 63.42 2jay h SER 169 CO 0.75 0.47 -0.51 -0.62 -1.14 0.00 0.00 176.83 175.79 2jay s ASP 170 N -6.81 5.77 0.46 3.07 2.15 -1.26 -4.97 116.67 115.08 2jay s ASP 170 Ca -0.06 -0.99 0.23 0.00 0.43 0.00 0.00 52.55 52.16 2jay s ASP 170 Cb 0.15 -2.04 1.11 0.00 -0.30 0.00 0.00 42.92 41.85 2jay s ASP 170 CO 0.75 -0.39 1.94 -0.65 -0.17 0.00 0.00 175.17 176.65 2jay h PRO 171 N 8.45 0.00 -0.07 4.34 0.11 -1.93 -2.68 132.00 140.22 2jay h PRO 171 Ca -0.26 0.00 -0.15 0.00 0.11 0.00 0.00 66.00 65.70 2jay h PRO 171 Cb 1.11 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.20 2jay h PRO 171 CO 0.67 0.22 -0.62 1.96 -0.21 0.00 0.00 178.00 180.02 2jay h GLN 172 N 0.00 0.24 -0.31 1.05 1.08 -1.93 -3.11 115.11 112.13 2jay h GLN 172 Ca -0.00 -0.17 -0.03 0.00 -1.45 0.00 0.00 58.65 57.00 2jay h GLN 172 Cb 0.54 0.03 -0.02 0.00 -0.05 0.00 0.00 27.48 27.98 2jay h GLN 172 CO 0.03 0.78 0.01 -1.13 -0.95 0.00 0.00 178.83 177.57 2jay n SER 173 N -3.86 3.85 0.02 1.46 3.41 -1.20 -0.21 113.62 117.10 2jay n SER 173 Ca -0.02 -3.11 0.12 0.00 -0.26 0.00 0.00 58.87 55.59 2jay n SER 173 Cb 0.63 -0.57 0.50 0.00 -0.26 0.00 0.00 64.21 64.51 2jay n SER 173 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2jay n ALA 174 N -0.53 2.11 -1.76 7.33 0.00 -1.02 -4.83 120.51 121.82 2jay n ALA 174 Ca 0.24 -0.07 -0.39 0.00 0.00 0.00 0.00 53.44 53.22 2jay n ALA 174 Cb 0.95 -1.40 0.02 0.00 0.00 0.00 0.00 19.45 19.01 2jay n ALA 174 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 2jay s GLY 175 N -3.10 2.90 -0.00 0.00 0.00 -1.26 -1.51 107.32 104.35 2jay s GLY 175 Ca 0.11 1.33 0.00 0.00 0.00 0.00 0.00 44.72 46.17 2jay s GLY 175 CO 0.46 1.89 -0.01 0.50 0.00 0.00 0.00 173.10 175.94 2jay s ARG 176 N -2.58 0.12 -0.12 2.90 1.81 0.22 -4.91 118.95 116.39 2jay s ARG 176 Ca 0.64 -0.04 0.01 0.00 -1.72 0.00 0.00 55.73 54.62 2jay s ARG 176 Cb -0.40 -0.13 0.02 0.00 -0.45 0.00 0.00 34.95 33.99 2jay s ARG 176 CO 0.50 0.02 -0.14 0.42 -0.68 0.00 0.00 175.30 175.42 2jay s ILE 177 N 0.05 1.46 -0.13 1.52 1.01 -1.26 -0.86 121.20 122.99 2jay s ILE 177 Ca -0.00 -0.60 0.03 0.00 0.00 0.00 0.00 60.65 60.08 2jay s ILE 177 Cb -0.02 -1.35 0.01 0.00 0.01 0.00 0.00 42.46 41.11 2jay s ILE 177 CO -0.00 0.44 -0.21 -0.69 0.00 0.00 0.00 174.94 174.48 2jay s VAL 178 N 1.20 1.93 0.06 2.92 1.01 -0.41 0.67 120.40 127.77 2jay s VAL 178 Ca -0.02 -0.90 -0.05 0.00 0.00 0.00 0.00 61.98 61.00 2jay s VAL 178 Cb -0.14 -1.71 -0.05 0.00 0.00 0.00 0.00 36.38 34.48 2jay s VAL 178 CO -0.05 0.52 0.30 -0.44 0.00 0.00 0.00 175.10 175.44 2jay s SER 179 N 0.79 6.48 -0.05 3.32 0.01 -0.49 -2.01 113.70 121.74 2jay s SER 179 Ca -0.09 0.53 0.02 0.00 1.31 0.00 0.00 55.95 57.73 2jay s SER 179 Cb -0.16 -2.07 0.01 0.00 0.21 0.00 0.00 66.02 64.01 2jay s SER 179 CO -0.00 0.17 -0.11 -0.36 0.41 0.00 0.00 173.24 173.35 2jay s PHE 180 N -1.45 1.28 0.77 2.43 0.08 -1.26 -1.76 117.98 118.07 2jay s PHE 180 Ca 0.33 -0.43 -0.06 0.00 0.12 0.00 0.00 56.93 56.90 2jay s PHE 180 Cb -0.13 -0.94 0.13 0.00 -0.57 0.00 0.00 43.02 41.51 2jay s PHE 180 CO 0.21 -0.22 1.07 0.16 -0.10 0.00 0.00 175.22 176.33 2jay s ASP 181 N 0.56 4.19 0.38 1.36 1.47 0.05 -4.80 116.67 119.88 2jay s ASP 181 Ca -0.11 -0.02 0.05 0.00 1.18 0.00 0.00 52.55 53.65 2jay s ASP 181 Cb -0.14 -0.36 0.76 0.00 -0.34 0.00 0.00 42.92 42.84 2jay s ASP 181 CO 0.02 -1.98 2.01 0.00 0.68 0.00 0.00 175.17 175.91 2jay h ALA 182 N -0.78 1.66 0.00 2.11 0.00 -1.97 -2.56 119.26 117.73 2jay h ALA 182 Ca -0.40 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.48 2jay h ALA 182 Cb 1.27 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 18.86 2jay h ALA 182 CO 0.44 0.28 0.00 0.00 0.00 0.00 0.00 179.25 179.98 2jay n ALA 183 N -2.46 2.18 0.00 0.00 0.00 -1.26 -4.67 120.51 114.30 2jay n ALA 183 Ca 0.06 -0.04 0.00 0.00 0.00 0.00 0.00 53.44 53.47 2jay n ALA 183 Cb 0.11 -1.44 0.00 0.00 0.00 0.00 0.00 19.45 18.11 2jay n ALA 183 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2jay n GLY 184 N 1.12 0.61 3.77 0.00 0.00 -0.96 -4.42 105.19 105.32 2jay n GLY 184 Ca 0.05 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.69 2jay n GLY 184 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2jay s GLY 185 N -0.96 2.86 0.08 -0.02 0.00 -1.26 -4.74 107.32 103.28 2jay s GLY 185 Ca 0.00 0.93 0.01 0.00 0.00 0.00 0.00 44.72 45.66 2jay s GLY 185 CO 0.00 1.44 -0.06 0.66 0.00 0.00 0.00 173.10 175.14 2jay s TRP 186 N -1.43 0.78 -0.16 1.90 1.48 -1.26 -0.77 118.94 119.48 2jay s TRP 186 Ca 0.56 -0.90 -0.08 0.00 -1.06 0.00 0.00 56.10 54.62 2jay s TRP 186 Cb -0.30 -0.47 0.06 0.00 -1.16 0.00 0.00 33.47 31.60 2jay s TRP 186 CO 0.37 -0.19 0.37 1.21 -4.06 0.00 0.00 176.95 174.65 2jay s ASN 187 N -2.86 -0.38 -0.13 -2.66 3.84 -0.72 -5.00 114.94 107.02 2jay s ASN 187 Ca 0.08 0.81 -0.29 0.00 0.21 0.00 0.00 52.86 53.67 2jay s ASN 187 Cb 0.04 0.76 -0.02 0.00 -0.55 0.00 0.00 41.25 41.48 2jay s ASN 187 CO -0.05 -0.20 1.26 -0.63 -2.79 0.00 0.00 177.10 174.70 2jay s ILE 188 N 1.58 4.24 0.14 -5.21 1.01 -1.26 -1.40 121.20 120.30 2jay s ILE 188 Ca -0.08 1.52 -0.31 0.00 0.00 0.00 0.00 60.65 61.78 2jay s ILE 188 Cb -0.09 -3.98 -0.09 0.00 0.01 0.00 0.00 42.46 38.30 2jay s ILE 188 CO -0.12 -0.10 1.56 -0.70 0.00 0.00 0.00 174.94 175.58 2jay s GLU 189 N 3.21 4.23 0.00 2.79 2.56 0.21 -4.91 118.70 126.79 2jay s GLU 189 Ca 0.56 2.32 0.12 0.00 0.00 0.00 0.00 54.97 57.97 2jay s GLU 189 Cb -0.23 -3.24 0.06 0.00 2.00 0.00 0.00 34.13 32.72 2jay s GLU 189 CO 0.17 -0.61 0.82 0.39 -0.56 0.00 0.00 175.26 175.47 2jay n GLU 190 N 4.25 1.26 0.15 4.30 -0.58 -1.26 -4.47 120.64 124.29 2jay n GLU 190 Ca 0.14 -1.01 0.12 0.00 -0.42 0.00 0.00 57.16 55.99 2jay n GLU 190 Cb 0.39 -1.20 0.07 0.00 -0.57 0.00 0.00 31.44 30.14 2jay n GLU 190 CO 0.00 0.00 0.00 0.93 -0.48 0.00 0.00 177.13 177.58 2jay h GLU 191 N 2.00 0.00 0.00 3.49 5.08 -1.99 -3.48 114.58 119.69 2jay h GLU 191 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 2jay h GLU 191 Cb 0.48 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.73 2jay h GLU 191 CO 0.00 0.00 0.00 0.41 -1.00 0.00 0.00 179.01 178.42 2jay n GLY 192 N 1.15 0.74 3.54 -3.84 0.00 -1.26 -5.02 105.19 100.51 2jay n GLY 192 Ca 0.02 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.87 2jay n GLY 192 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 2jay s TYR 193 N -2.28 -0.68 -0.19 1.61 -0.85 -1.26 0.30 117.35 114.00 2jay s TYR 193 Ca 0.00 1.29 -0.20 0.00 -0.52 0.00 0.00 57.07 57.64 2jay s TYR 193 Cb 0.00 0.38 0.05 0.00 0.38 0.00 0.00 41.96 42.77 2jay s TYR 193 CO 0.00 -0.56 0.56 -1.14 -1.52 0.00 0.00 175.55 172.89 2jay s GLN 194 N -0.86 0.69 -0.02 -3.49 2.00 0.11 -4.98 119.66 113.11 2jay s GLN 194 Ca -0.09 0.69 0.04 0.00 -2.00 0.00 0.00 55.36 54.01 2jay s GLN 194 Cb -0.01 0.33 -0.01 0.00 0.80 0.00 0.00 33.01 34.13 2jay s GLN 194 CO 0.08 -0.10 -0.14 0.00 -0.50 0.00 0.00 175.29 174.63 2jay s ALA 195 N 0.11 1.22 0.09 1.58 0.00 -1.26 -1.18 121.76 122.31 2jay s ALA 195 Ca -0.01 -0.57 0.07 0.00 0.00 0.00 0.00 51.96 51.44 2jay s ALA 195 Cb -0.04 -0.37 -0.03 0.00 0.00 0.00 0.00 23.12 22.68 2jay s ALA 195 CO 0.02 0.25 -0.17 0.14 0.00 0.00 0.00 175.76 176.00 2jay s VAL 196 N -0.11 1.40 0.00 0.00 -7.23 -0.36 -4.82 120.40 109.28 2jay s VAL 196 Ca 0.01 -1.47 0.00 0.00 -1.81 0.00 0.00 61.98 58.71 2jay s VAL 196 Cb -0.08 -1.34 0.00 0.00 0.56 0.00 0.00 36.38 35.52 2jay s VAL 196 CO 0.00 -0.18 0.00 0.61 -0.31 0.00 0.00 175.10 175.22 2jay n GLY 197 N 1.09 0.24 0.41 2.32 0.00 -1.26 -0.31 105.19 107.68 2jay n GLY 197 Ca -0.20 -2.19 -0.18 0.00 0.00 0.00 0.00 46.02 43.45 2jay n GLY 197 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 2jay h SER 198 N 0.00 -0.85 -0.97 1.61 0.02 -1.95 -3.22 113.55 108.20 2jay h SER 198 Ca 0.00 0.03 -0.65 0.00 -0.84 0.00 0.00 61.79 60.33 2jay h SER 198 Cb 0.00 0.22 -0.30 0.00 0.14 0.00 0.00 62.40 62.46 2jay h SER 198 CO 0.00 -0.60 0.68 0.61 -1.14 0.00 0.00 176.83 176.38 2jay n GLY 199 N -1.49 5.81 0.32 -3.77 0.00 -1.26 -4.68 105.19 100.11 2jay n GLY 199 Ca -0.14 -2.23 -0.05 0.00 0.00 0.00 0.00 46.02 43.60 2jay n GLY 199 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 2jay h SER 200 N 1.92 0.94 -0.64 1.61 4.64 -1.83 -0.77 113.55 119.42 2jay h SER 200 Ca 0.58 -0.18 -0.06 0.00 -0.47 0.00 0.00 61.79 61.66 2jay h SER 200 Cb 1.06 -0.25 -0.03 0.00 -0.31 0.00 0.00 62.40 62.88 2jay h SER 200 CO 1.46 0.90 0.15 -0.07 -0.87 0.00 0.00 176.83 178.40 2jay h LEU 201 N 0.96 0.98 -0.34 5.97 3.38 -1.87 0.01 115.31 124.40 2jay h LEU 201 Ca 0.21 -0.24 -0.17 0.00 0.09 0.00 0.00 57.88 57.77 2jay h LEU 201 Cb 0.32 -0.26 -0.00 0.00 0.09 0.00 0.00 40.66 40.81 2jay h LEU 201 CO -0.00 0.96 -0.47 -0.26 0.09 0.00 0.00 178.44 178.76 2jay h PHE 202 N 0.95 1.13 -0.18 1.13 0.04 -1.85 -2.82 116.94 115.34 2jay h PHE 202 Ca 0.20 -0.37 -0.13 0.00 2.80 0.00 0.00 57.97 60.47 2jay h PHE 202 Cb 0.37 -0.22 -0.01 0.00 2.20 0.00 0.00 35.95 38.28 2jay h PHE 202 CO 0.03 1.21 -0.46 0.00 -0.60 0.00 0.00 178.31 178.48 2jay h ALA 203 N 0.73 0.88 -0.27 2.45 0.00 -1.00 -2.15 119.26 119.90 2jay h ALA 203 Ca 0.04 -0.46 -0.18 0.00 0.00 0.00 0.00 54.91 54.31 2jay h ALA 203 Cb 1.07 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.77 2jay h ALA 203 CO 0.11 0.65 -0.52 0.87 0.00 0.00 0.00 179.25 180.36 2jay h LYS 204 N 0.36 0.83 -0.27 0.00 1.57 -1.03 -1.97 116.57 116.06 2jay h LYS 204 Ca 0.02 -0.53 -0.11 0.00 -1.87 0.00 0.00 60.65 58.16 2jay h LYS 204 Cb 0.95 0.06 -0.01 0.00 0.08 0.00 0.00 32.23 33.31 2jay h LYS 204 CO 0.08 1.16 -0.29 0.66 -0.57 0.00 0.00 179.45 180.50 2jay h SER 205 N 0.60 0.56 -0.47 0.86 4.64 -1.48 -1.19 113.55 117.08 2jay h SER 205 Ca 0.01 -0.21 -0.11 0.00 -0.47 0.00 0.00 61.79 61.01 2jay h SER 205 Cb 1.13 -0.15 -0.01 0.00 -0.31 0.00 0.00 62.40 63.05 2jay h SER 205 CO 0.12 0.83 -0.14 -1.28 -0.87 0.00 0.00 176.83 175.48 2jay h SER 206 N 0.48 0.93 0.18 4.97 0.87 -1.38 -2.81 113.55 116.79 2jay h SER 206 Ca 0.06 -0.37 -0.11 0.00 -1.23 0.00 0.00 61.79 60.14 2jay h SER 206 Cb 0.74 -0.26 -0.01 0.00 -0.44 0.00 0.00 62.40 62.43 2jay h SER 206 CO 0.06 1.09 -0.41 0.24 -0.53 0.00 0.00 176.83 177.28 2jay h MET 207 N 0.77 0.30 -0.66 2.24 2.07 -1.21 -2.55 114.93 115.89 2jay h MET 207 Ca 0.12 -0.15 -0.04 0.00 -2.07 0.00 0.00 59.70 57.55 2jay h MET 207 Cb 0.70 -0.00 -0.03 0.00 -1.87 0.00 0.00 31.60 30.40 2jay h MET 207 CO 0.05 0.67 0.24 -0.22 1.07 0.00 0.00 176.91 178.72 2jay h LYS 208 N 0.25 1.01 0.00 1.72 3.64 -1.14 -0.24 116.57 121.82 2jay h LYS 208 Ca 0.02 -0.20 -0.06 0.00 -1.27 0.00 0.00 60.65 59.15 2jay h LYS 208 Cb 0.84 -0.16 -0.01 0.00 -0.41 0.00 0.00 32.23 32.50 2jay h LYS 208 CO 0.07 0.86 -0.27 0.87 -2.27 0.00 0.00 179.45 178.70 2jay h LYS 209 N 0.95 0.00 -0.01 1.90 6.56 -1.42 -3.32 116.57 121.23 2jay h LYS 209 Ca 0.22 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.81 2jay h LYS 209 Cb 0.25 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 31.91 2jay h LYS 209 CO -0.01 0.27 -0.09 1.28 -2.06 0.00 0.00 179.45 178.84 2jay n LEU 210 N -3.20 1.82 0.21 2.94 4.77 -0.97 -4.66 117.00 117.91 2jay n LEU 210 Ca 0.02 -0.92 0.06 0.00 -0.03 0.00 0.00 56.01 55.14 2jay n LEU 210 Cb 0.61 0.00 0.47 0.00 -2.33 0.00 0.00 43.42 42.17 2jay n LEU 210 CO 0.37 0.34 0.82 0.22 -1.33 0.00 0.00 177.39 177.81 2jay h TYR 211 N 2.11 0.00 0.00 -1.77 3.20 -1.14 -2.25 116.97 117.12 2jay h TYR 211 Ca 0.00 0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.87 2jay h TYR 211 Cb 0.49 0.00 0.00 0.00 1.54 0.00 0.00 36.73 38.76 2jay h TYR 211 CO 0.00 0.27 0.00 0.66 -1.64 0.00 0.00 178.16 177.45 2jay h SER 212 N 0.00 0.00 0.35 -2.11 4.64 -1.83 -2.18 113.55 112.42 2jay h SER 212 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2jay h SER 212 Cb 0.52 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.61 2jay h SER 212 CO 0.03 0.00 -0.34 0.00 -0.87 0.00 0.00 176.83 175.65 2jay n GLN 213 N -2.73 0.50 -2.52 4.77 6.02 -0.85 -4.81 117.38 117.76 2jay n GLN 213 Ca -0.00 -0.29 -0.43 0.00 -0.01 0.00 0.00 57.00 56.27 2jay n GLN 213 Cb 0.17 -1.49 -0.02 0.00 1.02 0.00 0.00 30.24 29.92 2jay n GLN 213 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 177.06 176.13 2jay s VAL 214 N -2.70 4.04 -0.01 5.09 1.01 -0.82 -4.80 120.40 122.21 2jay s VAL 214 Ca 0.19 1.01 0.01 0.00 0.00 0.00 0.00 61.98 63.20 2jay s VAL 214 Cb 0.19 -4.53 -0.02 0.00 0.00 0.00 0.00 36.38 32.02 2jay s VAL 214 CO 0.59 -1.06 0.01 0.35 0.00 0.00 0.00 175.10 174.98 2jay n THR 215 N 6.86 0.08 -3.23 3.92 -2.24 -1.26 -4.81 114.28 113.59 2jay n THR 215 Ca 0.12 -0.05 0.00 0.00 -2.27 0.00 0.00 64.05 61.85 2jay n THR 215 Cb 0.49 -0.63 0.00 0.00 -2.10 0.00 0.00 70.33 68.09 2jay n THR 215 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 2jay n ASP 216 N -1.94 0.00 -0.04 3.42 5.75 -1.26 -4.32 116.55 118.16 2jay n ASP 216 Ca -0.02 -0.63 -0.07 0.00 -0.01 0.00 0.00 54.79 54.06 2jay n ASP 216 Cb 0.43 0.00 0.10 0.00 -1.03 0.00 0.00 41.12 40.62 2jay n ASP 216 CO 0.00 0.00 0.00 1.23 -0.11 0.00 0.00 177.20 178.32 2jay h GLY 217 N 0.00 0.71 1.01 6.12 0.00 -1.95 -1.65 103.07 107.31 2jay h GLY 217 Ca 0.00 -0.65 -0.17 0.00 0.00 0.00 0.00 47.33 46.51 2jay h GLY 217 CO 0.00 0.59 -0.56 -1.80 0.00 0.00 0.00 176.54 174.77 2jay h ASP 218 N 0.56 0.77 0.33 0.19 3.58 -1.98 -1.59 116.42 118.28 2jay h ASP 218 Ca 0.06 -0.61 -0.13 0.00 0.42 0.00 0.00 57.03 56.78 2jay h ASP 218 Cb 0.81 -0.23 -0.01 0.00 1.72 0.00 0.00 39.33 41.63 2jay h ASP 218 CO 0.07 1.25 -0.54 0.77 -2.88 0.00 0.00 179.24 177.90 2jay h SER 219 N 0.34 0.26 -0.33 2.28 4.64 -1.91 -0.91 113.55 117.92 2jay h SER 219 Ca -0.03 -0.13 -0.10 0.00 -0.47 0.00 0.00 61.79 61.06 2jay h SER 219 Cb 1.19 -0.07 -0.02 0.00 -0.31 0.00 0.00 62.40 63.19 2jay h SER 219 CO 0.12 0.75 -0.14 1.23 -0.87 0.00 0.00 176.83 177.92 2jay h GLY 220 N 1.41 0.85 1.54 -0.77 0.00 -1.27 -1.55 103.07 103.28 2jay h GLY 220 Ca 0.00 -0.66 -0.18 0.00 0.00 0.00 0.00 47.33 46.49 2jay h GLY 220 CO 0.08 0.61 -0.68 -2.00 0.00 0.00 0.00 176.54 174.56 2jay h LEU 221 N 0.70 0.53 -0.45 3.11 5.85 -1.16 -2.55 115.31 121.34 2jay h LEU 221 Ca 0.11 -0.33 -0.05 0.00 0.84 0.00 0.00 57.88 58.46 2jay h LEU 221 Cb 0.63 -0.16 -0.02 0.00 0.37 0.00 0.00 40.66 41.49 2jay h LEU 221 CO 0.04 1.06 0.09 -0.09 -0.34 0.00 0.00 178.44 179.20 2jay h ARG 222 N 0.33 0.74 -0.28 1.25 2.43 -0.96 -1.78 114.38 116.10 2jay h ARG 222 Ca -0.02 -0.19 -0.15 0.00 -0.81 0.00 0.00 59.98 58.81 2jay h ARG 222 Cb 1.24 -0.09 -0.01 0.00 -0.42 0.00 0.00 29.97 30.69 2jay h ARG 222 CO 0.12 0.75 -0.44 0.28 -1.51 0.00 0.00 179.97 179.17 2jay h VAL 223 N 0.61 1.29 -0.72 0.20 2.07 -1.34 -2.36 116.25 116.00 2jay h VAL 223 Ca 0.14 -1.62 -0.06 0.00 0.82 0.00 0.00 66.70 65.97 2jay h VAL 223 Cb 0.35 1.54 -0.03 0.00 -1.52 0.00 0.00 31.29 31.63 2jay h VAL 223 CO 0.01 0.52 0.21 0.00 0.02 0.00 0.00 177.57 178.33 2jay h ALA 224 N 0.93 1.00 -0.31 1.67 0.00 -1.34 -0.79 119.26 120.42 2jay h ALA 224 Ca 0.04 -0.23 -0.14 0.00 0.00 0.00 0.00 54.91 54.58 2jay h ALA 224 Cb 0.99 -0.28 -0.00 0.00 0.00 0.00 0.00 17.79 18.50 2jay h ALA 224 CO 0.09 0.66 -0.35 0.28 0.00 0.00 0.00 179.25 179.94 2jay h VAL 225 N 1.09 1.29 -0.46 0.00 2.07 -1.31 -2.93 116.25 115.99 2jay h VAL 225 Ca 0.23 -1.53 -0.06 0.00 0.82 0.00 0.00 66.70 66.16 2jay h VAL 225 Cb 0.33 1.55 -0.02 0.00 -1.52 0.00 0.00 31.29 31.63 2jay h VAL 225 CO -0.00 0.49 0.02 -0.08 0.02 0.00 0.00 177.57 178.02 2jay h GLU 226 N 0.54 0.75 -0.23 1.57 4.81 -1.27 -2.23 114.58 118.53 2jay h GLU 226 Ca 0.04 -0.19 -0.05 0.00 -0.13 0.00 0.00 59.36 59.03 2jay h GLU 226 Cb 0.93 -0.10 -0.01 0.00 0.63 0.00 0.00 28.75 30.20 2jay h GLU 226 CO 0.08 0.75 -0.10 0.00 -0.73 0.00 0.00 179.01 179.01 2jay h ALA 227 N 1.32 1.41 -0.01 2.92 0.00 -1.12 -0.97 119.26 122.80 2jay h ALA 227 Ca 0.14 -0.22 -0.20 0.00 0.00 0.00 0.00 54.91 54.64 2jay h ALA 227 Cb 0.40 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.07 2jay h ALA 227 CO 0.01 0.41 -0.85 -0.07 0.00 0.00 0.00 179.25 178.75 2jay h LEU 228 N 0.34 0.35 -0.61 0.00 3.38 -1.28 -2.12 115.31 115.37 2jay h LEU 228 Ca 0.07 -0.26 -0.14 0.00 0.09 0.00 0.00 57.88 57.64 2jay h LEU 228 Cb 0.40 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 41.03 2jay h LEU 228 CO 0.02 1.04 -0.37 0.22 0.09 0.00 0.00 178.44 179.45 2jay h TYR 229 N 0.16 0.82 0.00 1.13 3.20 -1.14 -2.56 116.97 118.58 2jay h TYR 229 Ca -0.05 -0.23 -0.02 0.00 3.14 0.00 0.00 58.73 61.58 2jay h TYR 229 Cb 1.46 -0.18 -0.00 0.00 1.54 0.00 0.00 36.73 39.55 2jay h TYR 229 CO 0.04 0.96 -0.08 -0.44 -1.64 0.00 0.00 178.16 176.99 2jay h ASP 230 N 0.57 0.00 0.00 -2.11 5.19 -1.14 -3.52 116.42 115.41 2jay h ASP 230 Ca 0.05 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.46 2jay h ASP 230 Cb 0.89 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.40 2jay h ASP 230 CO 0.08 0.08 -0.49 0.00 -3.12 0.00 0.00 179.24 175.79 2jay n ALA 231 N -2.17 0.43 -1.79 3.45 0.00 -0.80 -4.73 120.51 114.90 2jay n ALA 231 Ca -0.01 -0.42 -0.36 0.00 0.00 0.00 0.00 53.44 52.66 2jay n ALA 231 Cb 0.29 0.01 -0.06 0.00 0.00 0.00 0.00 19.45 19.69 2jay n ALA 231 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.50 177.44 2jay s PHE 248 N -2.16 3.56 0.63 0.00 0.08 -1.26 -4.66 117.98 114.17 2jay s PHE 248 Ca -0.14 1.73 -0.11 0.00 0.12 0.00 0.00 56.93 58.52 2jay s PHE 248 Cb 0.02 -2.91 -0.03 0.00 -0.57 0.00 0.00 43.02 39.52 2jay s PHE 248 CO 0.21 0.07 1.03 -1.25 -0.10 0.00 0.00 175.22 175.19 2jay s PRO 249 N -2.40 3.51 0.27 0.24 0.04 -1.26 -4.48 135.00 130.92 2jay s PRO 249 Ca 0.54 0.78 0.02 0.00 0.04 0.00 0.00 61.00 62.39 2jay s PRO 249 Cb -0.16 -2.07 -0.03 0.00 0.04 0.00 0.00 34.50 32.28 2jay s PRO 249 CO 0.21 -0.64 0.44 0.95 0.04 0.00 0.00 177.00 177.99 2jay s THR 250 N -3.15 5.19 0.04 1.26 -4.23 -0.85 -4.93 115.64 108.97 2jay s THR 250 Ca 0.56 -0.67 -0.11 0.00 -1.18 0.00 0.00 61.69 60.29 2jay s THR 250 Cb -0.11 -3.84 0.01 0.00 1.34 0.00 0.00 72.50 69.90 2jay s THR 250 CO 0.54 -0.38 0.22 0.00 -0.54 0.00 0.00 174.62 174.45 2jay s ALA 251 N -2.08 -0.45 -0.07 3.99 0.00 -1.26 -1.39 121.76 120.49 2jay s ALA 251 Ca 0.37 -0.18 0.00 0.00 0.00 0.00 0.00 51.96 52.16 2jay s ALA 251 Cb -0.10 0.27 0.02 0.00 0.00 0.00 0.00 23.12 23.31 2jay s ALA 251 CO 0.32 -0.36 -0.05 0.08 0.00 0.00 0.00 175.76 175.75 2jay s VAL 252 N -2.42 0.70 -0.21 0.00 1.01 0.69 -1.30 120.40 118.87 2jay s VAL 252 Ca -0.06 -0.15 -0.10 0.00 0.00 0.00 0.00 61.98 61.67 2jay s VAL 252 Cb -0.02 -0.74 -0.05 0.00 0.00 0.00 0.00 36.38 35.58 2jay s VAL 252 CO -0.03 0.29 0.13 -0.63 0.00 0.00 0.00 175.10 174.86 2jay s ILE 253 N 1.35 5.29 -0.18 2.22 -1.09 -0.39 -1.22 121.20 127.17 2jay s ILE 253 Ca -0.04 0.15 0.01 0.00 -2.23 0.00 0.00 60.65 58.54 2jay s ILE 253 Cb -0.14 -3.43 0.04 0.00 -1.58 0.00 0.00 42.46 37.35 2jay s ILE 253 CO -0.03 0.41 -0.12 -0.63 -1.23 0.00 0.00 174.94 173.35 2jay s ILE 254 N 0.61 1.62 0.00 2.92 1.01 -0.04 -0.50 121.20 126.83 2jay s ILE 254 Ca 0.07 -0.88 0.00 0.00 0.00 0.00 0.00 60.65 59.84 2jay s ILE 254 Cb -0.12 -1.64 0.00 0.00 0.01 0.00 0.00 42.46 40.71 2jay s ILE 254 CO 0.00 0.27 0.00 -0.90 0.00 0.00 0.00 174.94 174.32 2jay n ASP 255 N 4.71 0.45 0.21 3.58 5.68 -1.16 -0.96 116.55 129.06 2jay n ASP 255 Ca -0.15 0.00 0.06 0.00 -0.50 0.00 0.00 54.79 54.20 2jay n ASP 255 Cb 0.48 0.00 0.45 0.00 -1.14 0.00 0.00 41.12 40.91 2jay n ASP 255 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 2jay h ALA 256 N 1.00 1.24 0.00 2.12 0.00 -1.88 -2.84 119.26 118.90 2jay h ALA 256 Ca 0.00 -0.28 0.00 0.00 0.00 0.00 0.00 54.91 54.63 2jay h ALA 256 Cb 0.00 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.74 2jay h ALA 256 CO 0.00 0.38 -0.23 -0.25 0.00 0.00 0.00 179.25 179.15 2jay n ASP 257 N -3.81 0.25 0.00 0.00 8.00 -1.26 -5.04 116.55 114.69 2jay n ASP 257 Ca -0.01 0.16 0.00 0.00 0.71 0.00 0.00 54.79 55.65 2jay n ASP 257 Cb 0.39 -0.16 0.00 0.00 -0.02 0.00 0.00 41.12 41.33 2jay n ASP 257 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2jay n GLY 258 N 1.49 1.29 3.70 0.44 0.00 -1.07 -5.03 105.19 106.00 2jay n GLY 258 Ca 0.06 -2.28 -0.41 0.00 0.00 0.00 0.00 46.02 43.39 2jay n GLY 258 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2jay s ALA 259 N -1.24 3.36 -0.03 4.61 0.00 -0.19 -2.97 121.76 125.30 2jay s ALA 259 Ca 0.00 0.21 0.03 0.00 0.00 0.00 0.00 51.96 52.20 2jay s ALA 259 Cb 0.00 -3.18 0.00 0.00 0.00 0.00 0.00 23.12 19.94 2jay s ALA 259 CO 0.00 -0.37 -0.11 0.08 0.00 0.00 0.00 175.76 175.36 2jay s VAL 260 N 1.42 0.96 -0.00 0.00 1.01 0.34 -4.97 120.40 119.16 2jay s VAL 260 Ca 0.42 -0.45 -0.30 0.00 0.00 0.00 0.00 61.98 61.65 2jay s VAL 260 Cb -0.18 -0.85 -0.06 0.00 0.00 0.00 0.00 36.38 35.30 2jay s VAL 260 CO 0.18 0.29 1.42 -1.81 0.00 0.00 0.00 175.10 175.19 2jay s ASP 261 N 0.20 6.83 0.02 3.32 1.01 -1.26 -1.26 116.67 125.53 2jay s ASP 261 Ca -0.04 2.13 -0.30 0.00 0.71 0.00 0.00 52.55 55.04 2jay s ASP 261 Cb -0.10 -2.56 -0.06 0.00 1.01 0.00 0.00 42.92 41.21 2jay s ASP 261 CO 0.01 -0.74 1.43 -0.69 0.21 0.00 0.00 175.17 175.39 2jay s VAL 262 N 2.52 3.60 0.24 -1.27 1.01 -0.42 -4.94 120.40 121.15 2jay s VAL 262 Ca 0.65 1.01 -0.31 0.00 0.00 0.00 0.00 61.98 63.32 2jay s VAL 262 Cb -0.32 -3.65 -0.13 0.00 0.00 0.00 0.00 36.38 32.28 2jay s VAL 262 CO 0.27 0.01 1.44 -0.81 0.00 0.00 0.00 175.10 176.01 2jay n PRO 263 N 5.25 2.12 0.31 2.72 -0.04 -1.26 -4.64 135.00 139.46 2jay n PRO 263 Ca 0.13 0.76 0.20 0.00 -0.04 0.00 0.00 63.50 64.55 2jay n PRO 263 Cb 0.43 -2.44 0.99 0.00 -0.04 0.00 0.00 33.50 32.44 2jay n PRO 263 CO 0.00 0.00 0.00 1.49 -0.04 0.00 0.00 175.50 176.95 2jay h GLU 264 N 4.42 0.00 -0.56 0.54 4.57 -1.96 -1.90 114.58 119.70 2jay h GLU 264 Ca -0.45 0.00 -0.10 0.00 -1.18 0.00 0.00 59.36 57.63 2jay h GLU 264 Cb 1.27 0.00 -0.02 0.00 -0.16 0.00 0.00 28.75 29.84 2jay h GLU 264 CO 0.77 0.01 -0.05 0.66 -1.18 0.00 0.00 179.01 179.22 2jay h SER 265 N 0.00 0.99 -0.23 1.04 4.64 -1.99 -1.90 113.55 116.10 2jay h SER 265 Ca -0.00 -0.30 -0.16 0.00 -0.47 0.00 0.00 61.79 60.87 2jay h SER 265 Cb 0.21 -0.27 -0.01 0.00 -0.31 0.00 0.00 62.40 62.03 2jay h SER 265 CO 0.00 1.07 -0.43 -0.09 -0.87 0.00 0.00 176.83 176.51 2jay h ARG 266 N 0.91 0.79 -0.45 4.77 2.43 -1.71 -1.39 114.38 119.73 2jay h ARG 266 Ca 0.15 -0.43 -0.14 0.00 -0.81 0.00 0.00 59.98 58.75 2jay h ARG 266 Cb 0.59 0.02 -0.01 0.00 -0.42 0.00 0.00 29.97 30.16 2jay h ARG 266 CO 0.04 1.06 -0.27 0.82 -1.51 0.00 0.00 179.97 180.10 2jay h ILE 267 N 0.64 1.27 -0.88 1.20 2.04 -1.55 -2.07 117.51 118.17 2jay h ILE 267 Ca 0.04 -1.44 -0.02 0.00 1.00 0.00 0.00 64.86 64.44 2jay h ILE 267 Cb 1.00 1.21 -0.04 0.00 -0.74 0.00 0.00 36.82 38.25 2jay h ILE 267 CO 0.10 0.49 0.46 0.00 0.00 0.00 0.00 178.15 179.20 2jay h ALA 268 N 0.85 1.13 -0.57 1.87 0.00 -1.25 0.19 119.26 121.47 2jay h ALA 268 Ca 0.09 -0.14 -0.02 0.00 0.00 0.00 0.00 54.91 54.84 2jay h ALA 268 Cb 0.86 -0.35 -0.03 0.00 0.00 0.00 0.00 17.79 18.27 2jay h ALA 268 CO 0.08 0.65 0.28 0.93 0.00 0.00 0.00 179.25 181.18 2jay h GLU 269 N 1.23 0.82 -0.25 0.00 5.08 -1.13 -2.63 114.58 117.71 2jay h GLU 269 Ca 0.31 -0.12 -0.19 0.00 -1.00 0.00 0.00 59.36 58.36 2jay h GLU 269 Cb 0.06 -0.15 0.00 0.00 0.50 0.00 0.00 28.75 29.16 2jay h GLU 269 CO -0.05 0.67 -0.58 -0.07 -1.00 0.00 0.00 179.01 177.98 2jay h LEU 270 N 0.77 0.94 -1.32 1.33 3.38 -1.05 -2.79 115.31 116.58 2jay h LEU 270 Ca 0.20 -0.56 -0.06 0.00 0.09 0.00 0.00 57.88 57.55 2jay h LEU 270 Cb 0.12 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 40.58 2jay h LEU 270 CO -0.02 1.33 -0.21 0.00 0.09 0.00 0.00 178.44 179.62 2jay h ALA 271 N 0.64 1.43 -0.19 1.53 0.00 -0.96 -0.64 119.26 121.07 2jay h ALA 271 Ca -0.00 -0.26 -0.18 0.00 0.00 0.00 0.00 54.91 54.48 2jay h ALA 271 Cb 1.19 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 18.90 2jay h ALA 271 CO 0.13 0.40 -0.60 0.00 0.00 0.00 0.00 179.25 179.18 2jay h ARG 272 N 0.18 0.64 -0.07 0.00 3.08 -1.47 -3.13 114.38 113.61 2jay h ARG 272 Ca 0.03 -0.43 -0.11 0.00 0.07 0.00 0.00 59.98 59.54 2jay h ARG 272 Cb 0.48 0.06 -0.01 0.00 0.08 0.00 0.00 29.97 30.58 2jay h ARG 272 CO 0.03 1.05 -0.47 0.00 -1.07 0.00 0.00 179.97 179.51 2jay h ALA 273 N 0.86 1.09 0.00 0.04 0.00 -1.16 -3.52 119.26 116.56 2jay h ALA 273 Ca -0.00 -0.45 0.00 0.00 0.00 0.00 0.00 54.91 54.46 2jay h ALA 273 Cb 1.17 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.87 2jay h ALA 273 CO 0.12 0.62 0.00 -0.89 0.00 0.00 0.00 179.25 179.10