#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1jen s MET 70 N 0.00 0.44 -0.10 1.43 1.75 -1.26 -0.76 119.30 120.80 1jen s MET 70 Ca 0.00 -0.02 0.02 0.00 -1.25 0.00 0.00 55.69 54.45 1jen s MET 70 Cb 0.00 -0.54 0.01 0.00 2.84 0.00 0.00 34.83 37.14 1jen s MET 70 CO 0.00 -0.07 -0.16 -0.06 -0.65 0.00 0.00 175.02 174.07 1jen s PHE 71 N 0.76 1.98 -0.18 4.11 0.08 0.05 -5.00 117.98 119.78 1jen s PHE 71 Ca -0.08 -0.87 0.01 0.00 0.12 0.00 0.00 56.93 56.10 1jen s PHE 71 Cb -0.12 -1.40 0.03 0.00 -0.57 0.00 0.00 43.02 40.96 1jen s PHE 71 CO -0.01 -0.42 -0.13 0.08 -0.10 0.00 0.00 175.22 174.63 1jen s VAL 72 N 0.79 1.72 0.00 -0.44 1.01 -1.26 -1.06 120.40 121.15 1jen s VAL 72 Ca -0.11 -0.89 0.00 0.00 0.00 0.00 0.00 61.98 60.98 1jen s VAL 72 Cb -0.16 -1.68 0.00 0.00 0.00 0.00 0.00 36.38 34.54 1jen s VAL 72 CO 0.02 0.33 0.00 -1.54 0.00 0.00 0.00 175.10 173.90 1jen n SER 73 N 4.69 1.86 -0.09 3.32 3.41 -0.67 -5.04 113.62 121.10 1jen n SER 73 Ca -0.17 -0.98 -0.06 0.00 -0.26 0.00 0.00 58.87 57.41 1jen n SER 73 Cb 0.48 0.00 0.01 0.00 -0.26 0.00 0.00 64.21 64.44 1jen n SER 73 CO 0.00 0.00 0.00 0.50 -0.16 0.00 0.00 175.04 175.38 1jen h LYS 74 N 0.00 0.16 0.00 4.33 3.64 -2.06 -3.35 116.57 119.29 1jen h LYS 74 Ca 0.00 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.37 1jen h LYS 74 Cb 0.00 -0.04 0.00 0.00 -0.41 0.00 0.00 32.23 31.78 1jen h LYS 74 CO 0.00 0.11 0.00 2.89 -2.27 0.00 0.00 179.45 180.18 1jen n ARG 75 N -5.11 -0.43 -4.70 1.90 1.85 -1.26 -5.04 116.66 103.88 1jen n ARG 75 Ca 0.01 -0.26 -0.33 0.00 -1.00 0.00 0.00 57.85 56.27 1jen n ARG 75 Cb 0.15 -0.74 -0.13 0.00 -1.05 0.00 0.00 32.46 30.69 1jen n ARG 75 CO 0.00 0.00 0.00 0.50 -0.01 0.00 0.00 177.63 178.12 1jen s ARG 76 N -0.01 2.99 -0.07 2.89 3.52 -1.26 -5.08 118.95 121.94 1jen s ARG 76 Ca 0.00 -0.61 0.04 0.00 -0.13 0.00 0.00 55.73 55.02 1jen s ARG 76 Cb 0.00 -2.60 0.00 0.00 -1.56 0.00 0.00 34.95 30.79 1jen s ARG 76 CO 0.00 0.48 -0.19 0.12 -0.81 0.00 0.00 175.30 174.90 1jen s PHE 77 N -0.32 1.98 -0.05 5.12 5.36 -1.26 -1.68 117.98 127.14 1jen s PHE 77 Ca 0.04 -0.69 0.02 0.00 -0.96 0.00 0.00 56.93 55.34 1jen s PHE 77 Cb -0.13 -1.35 0.01 0.00 -0.34 0.00 0.00 43.02 41.22 1jen s PHE 77 CO 0.02 -0.27 -0.09 0.42 -1.46 0.00 0.00 175.22 173.84 1jen s ILE 78 N 0.26 0.85 -0.05 3.12 1.01 -0.23 -5.00 121.20 121.16 1jen s ILE 78 Ca -0.11 -0.33 -0.01 0.00 0.00 0.00 0.00 60.65 60.20 1jen s ILE 78 Cb -0.15 -0.79 0.03 0.00 0.01 0.00 0.00 42.46 41.56 1jen s ILE 78 CO 0.05 0.28 0.01 -0.22 0.00 0.00 0.00 174.94 175.06 1jen s LEU 79 N 0.61 0.67 -0.10 2.97 2.96 -1.26 -0.77 118.68 123.76 1jen s LEU 79 Ca -0.11 -0.03 0.02 0.00 -0.22 0.00 0.00 54.13 53.79 1jen s LEU 79 Cb -0.14 -0.31 0.01 0.00 0.50 0.00 0.00 46.19 46.26 1jen s LEU 79 CO 0.02 -0.18 -0.14 -0.75 -1.32 0.00 0.00 176.35 173.98 1jen s LYS 80 N 1.71 2.11 0.07 1.98 2.20 0.06 -5.02 119.74 122.84 1jen s LYS 80 Ca 0.00 -0.52 0.03 0.00 -0.36 0.00 0.00 55.97 55.11 1jen s LYS 80 Cb -0.13 -1.80 -0.03 0.00 -1.51 0.00 0.00 37.83 34.36 1jen s LYS 80 CO -0.03 -0.06 -0.08 0.95 -0.36 0.00 0.00 175.35 175.76 1jen s THR 81 N 0.98 0.69 0.00 3.43 -4.23 -1.26 -1.63 115.64 113.61 1jen s THR 81 Ca -0.07 -1.41 0.00 0.00 -1.18 0.00 0.00 61.69 59.02 1jen s THR 81 Cb -0.15 -1.05 0.00 0.00 1.34 0.00 0.00 72.50 72.64 1jen s THR 81 CO -0.01 -0.53 0.00 0.00 -0.54 0.00 0.00 174.62 173.54 1jen n GLY 83 N 3.86 2.12 0.88 0.00 0.00 -1.26 -3.02 105.19 107.78 1jen n GLY 83 Ca 0.00 -0.51 0.07 0.00 0.00 0.00 0.00 46.02 45.58 1jen n GLY 83 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1jen n THR 84 N 0.00 1.79 -1.66 2.61 -2.24 -1.26 -5.02 114.28 108.49 1jen n THR 84 Ca 0.00 -1.49 -0.46 0.00 -2.27 0.00 0.00 64.05 59.84 1jen n THR 84 Cb 0.00 0.06 -0.04 0.00 -2.10 0.00 0.00 70.33 68.25 1jen n THR 84 CO 0.00 0.00 0.00 0.41 -0.57 0.00 0.00 175.07 174.91 1jen n THR 85 N 0.03 0.40 -2.15 4.28 -1.04 -1.17 -4.74 114.28 109.89 1jen n THR 85 Ca 0.18 -0.10 -0.41 0.00 -2.04 0.00 0.00 64.05 61.68 1jen n THR 85 Cb 0.73 -1.46 -0.00 0.00 -1.82 0.00 0.00 70.33 67.78 1jen n THR 85 CO 0.00 0.00 0.00 0.18 -0.64 0.00 0.00 175.07 174.61 1jen n LEU 86 N 2.82 7.30 -0.31 -4.42 4.77 -1.26 -4.86 117.00 121.04 1jen n LEU 86 Ca 0.15 -4.73 0.09 0.00 -0.03 0.00 0.00 56.01 51.49 1jen n LEU 86 Cb 0.29 -1.44 0.21 0.00 -2.33 0.00 0.00 43.42 40.15 1jen n LEU 86 CO 0.63 1.68 0.78 0.25 -1.33 0.00 0.00 177.39 179.40 1jen h LEU 87 N 6.94 -0.52 -2.53 2.23 5.85 -1.97 -1.19 115.31 124.12 1jen h LEU 87 Ca 0.54 0.25 0.00 0.00 0.84 0.00 0.00 57.88 59.51 1jen h LEU 87 Cb 0.49 0.46 -0.00 0.00 0.37 0.00 0.00 40.66 41.97 1jen h LEU 87 CO 1.58 -0.28 0.01 -0.07 -0.34 0.00 0.00 178.44 179.34 1jen h LEU 88 N 0.04 0.00 -0.02 2.25 3.38 -1.98 -1.22 115.31 117.76 1jen h LEU 88 Ca 0.50 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.47 1jen h LEU 88 Cb 0.93 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.68 1jen h LEU 88 CO -0.84 0.00 0.00 0.29 0.09 0.00 0.00 178.44 177.98 1jen n LYS 89 N -3.74 0.01 0.00 1.13 5.02 -0.45 -2.11 118.16 118.01 1jen n LYS 89 Ca -0.03 0.27 0.11 0.00 -2.02 0.00 0.00 58.31 56.64 1jen n LYS 89 Cb 0.09 -1.51 -0.02 0.00 -0.02 0.00 0.00 35.03 33.56 1jen n LYS 89 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1jen n ALA 90 N -1.51 4.23 0.40 7.82 0.00 -0.46 -4.60 120.51 126.40 1jen n ALA 90 Ca 0.03 -0.58 -0.18 0.00 0.00 0.00 0.00 53.44 52.71 1jen n ALA 90 Cb 0.16 -0.83 -0.09 0.00 0.00 0.00 0.00 19.45 18.69 1jen n ALA 90 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 1jen h LEU 91 N 0.72 -0.84 -0.45 0.00 5.85 -1.53 -0.60 115.31 118.45 1jen h LEU 91 Ca 0.00 0.03 0.05 0.00 0.84 0.00 0.00 57.88 58.79 1jen h LEU 91 Cb 0.57 0.22 -0.04 0.00 0.37 0.00 0.00 40.66 41.77 1jen h LEU 91 CO 0.00 -0.60 0.20 0.58 -0.34 0.00 0.00 178.44 178.28 1jen h VAL 92 N -1.01 0.92 -0.82 1.05 2.07 -1.81 0.50 116.25 117.15 1jen h VAL 92 Ca -0.10 -0.14 0.05 0.00 0.82 0.00 0.00 66.70 67.33 1jen h VAL 92 Cb 0.77 0.49 -0.05 0.00 -1.52 0.00 0.00 31.29 30.98 1jen h VAL 92 CO 0.17 0.07 0.54 -0.65 0.02 0.00 0.00 177.57 177.72 1jen h PRO 93 N 0.40 0.92 -0.19 1.57 0.11 -1.79 -1.26 132.00 131.76 1jen h PRO 93 Ca 0.20 -0.06 -0.02 0.00 0.11 0.00 0.00 66.00 66.24 1jen h PRO 93 Cb 0.15 -0.21 -0.01 0.00 0.11 0.00 0.00 31.00 31.04 1jen h PRO 93 CO -0.17 0.61 0.06 1.25 -0.21 0.00 0.00 178.00 179.54 1jen h LEU 94 N 0.95 0.28 -1.62 2.35 5.85 0.24 -1.77 115.31 121.59 1jen h LEU 94 Ca 0.35 -0.21 0.01 0.00 0.84 0.00 0.00 57.88 58.87 1jen h LEU 94 Cb 0.16 -0.07 -0.02 0.00 0.37 0.00 0.00 40.66 41.09 1jen h LEU 94 CO -0.12 0.41 0.26 -0.07 -0.34 0.00 0.00 178.44 178.59 1jen h LEU 95 N 0.13 0.45 -0.49 2.25 3.38 -0.36 -1.11 115.31 119.56 1jen h LEU 95 Ca 0.06 -0.01 -0.14 0.00 0.09 0.00 0.00 57.88 57.88 1jen h LEU 95 Cb 0.23 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 40.86 1jen h LEU 95 CO -0.00 0.32 -0.30 0.50 0.09 0.00 0.00 178.44 179.05 1jen h LYS 96 N 0.53 0.92 -0.44 1.13 3.64 -0.75 -2.16 116.57 119.43 1jen h LYS 96 Ca 0.15 -0.43 -0.06 0.00 -1.27 0.00 0.00 60.65 59.04 1jen h LYS 96 Cb -0.05 -0.01 -0.02 0.00 -0.41 0.00 0.00 32.23 31.74 1jen h LYS 96 CO -0.03 1.09 0.05 -0.07 -2.27 0.00 0.00 179.45 178.22 1jen h LEU 97 N 0.77 0.72 -1.39 5.20 3.38 -0.65 -1.03 115.31 122.32 1jen h LEU 97 Ca 0.08 -0.27 -0.04 0.00 0.09 0.00 0.00 57.88 57.74 1jen h LEU 97 Cb 0.88 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 41.42 1jen h LEU 97 CO 0.08 0.81 -0.05 0.00 0.09 0.00 0.00 178.44 179.37 1jen h ALA 98 N 0.93 1.51 0.03 1.53 0.00 -1.12 -0.81 119.26 121.34 1jen h ALA 98 Ca 0.13 -0.18 -0.07 0.00 0.00 0.00 0.00 54.91 54.79 1jen h ALA 98 Cb 0.41 -0.11 0.01 0.00 0.00 0.00 0.00 17.79 18.10 1jen h ALA 98 CO 0.01 0.35 -0.31 -0.09 0.00 0.00 0.00 179.25 179.22 1jen h ARG 99 N 0.33 0.15 -0.01 0.00 2.43 -1.24 -1.64 114.38 114.40 1jen h ARG 99 Ca 0.07 -0.20 -0.00 0.00 -0.81 0.00 0.00 59.98 59.04 1jen h ARG 99 Cb 0.30 0.07 -0.00 0.00 -0.42 0.00 0.00 29.97 29.92 1jen h ARG 99 CO 0.01 1.02 0.00 -0.44 -1.51 0.00 0.00 179.97 179.06 1jen h ASP 100 N -0.63 0.02 0.13 -3.80 5.19 -1.08 -1.72 116.42 114.52 1jen h ASP 100 Ca -0.05 -0.24 -0.28 0.00 -0.62 0.00 0.00 57.03 55.84 1jen h ASP 100 Cb 1.16 -0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.67 1jen h ASP 100 CO 0.06 0.26 -1.41 1.88 -3.12 0.00 0.00 179.24 176.91 1jen h TYR 101 N -0.22 0.49 0.00 4.55 0.05 -1.33 -3.40 116.97 117.10 1jen h TYR 101 Ca 0.00 -0.36 0.00 0.00 0.05 0.00 0.00 58.73 58.43 1jen h TYR 101 Cb 0.25 -0.02 0.00 0.00 1.01 0.00 0.00 36.73 37.97 1jen h TYR 101 CO 0.01 1.55 -1.49 0.43 -1.05 0.00 0.00 178.16 177.61 1jen n SER 102 N -3.90 0.40 0.00 3.88 7.64 -1.08 -4.99 113.62 115.56 1jen n SER 102 Ca -0.24 -0.02 0.00 0.00 1.01 0.00 0.00 58.87 59.62 1jen n SER 102 Cb 0.92 1.31 0.00 0.00 -1.01 0.00 0.00 64.21 65.43 1jen n SER 102 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1jen n GLY 103 N 1.28 0.44 3.62 0.23 0.00 -0.65 -4.98 105.19 105.13 1jen n GLY 103 Ca -0.01 -0.59 -0.43 0.00 0.00 0.00 0.00 46.02 44.99 1jen n GLY 103 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1jen s PHE 104 N -2.00 3.03 -1.50 1.61 0.08 -0.67 -4.88 117.98 113.65 1jen s PHE 104 Ca 0.00 0.94 0.13 0.00 0.12 0.00 0.00 56.93 58.12 1jen s PHE 104 Cb 0.00 -3.92 0.17 0.00 -0.57 0.00 0.00 43.02 38.70 1jen s PHE 104 CO 0.00 -0.94 1.02 -0.40 -0.10 0.00 0.00 175.22 174.80 1jen n ASP 105 N 7.16 2.36 -3.93 1.36 5.75 -1.26 -3.44 116.55 124.55 1jen n ASP 105 Ca 0.11 -1.67 -0.10 0.00 -0.01 0.00 0.00 54.79 53.13 1jen n ASP 105 Cb 0.48 -0.07 -0.09 0.00 -1.03 0.00 0.00 41.12 40.40 1jen n ASP 105 CO 0.00 0.00 0.00 -0.94 -0.11 0.00 0.00 177.20 176.15 1jen s SER 106 N -1.07 0.17 -0.16 -1.12 1.04 -1.26 -5.13 113.70 106.16 1jen s SER 106 Ca 0.19 -0.50 -0.06 0.00 0.48 0.00 0.00 55.95 56.05 1jen s SER 106 Cb 0.12 0.22 -0.04 0.00 0.10 0.00 0.00 66.02 66.42 1jen s SER 106 CO 0.17 -0.48 0.05 -0.63 0.98 0.00 0.00 173.24 173.33 1jen s ILE 107 N -2.42 4.73 -0.13 -1.02 1.01 -1.26 -5.01 121.20 117.09 1jen s ILE 107 Ca -0.07 -0.06 -0.08 0.00 0.00 0.00 0.00 60.65 60.45 1jen s ILE 107 Cb -0.02 -3.10 -0.25 0.00 0.01 0.00 0.00 42.46 39.09 1jen s ILE 107 CO -0.04 0.50 0.33 1.67 0.00 0.00 0.00 174.94 177.40 1jen n GLN 108 N 3.20 0.74 -3.83 2.79 7.27 -1.26 -4.97 117.38 121.32 1jen n GLN 108 Ca -0.17 0.28 -0.12 0.00 0.07 0.00 0.00 57.00 57.06 1jen n GLN 108 Cb 0.53 -1.70 -0.11 0.00 2.41 0.00 0.00 30.24 31.36 1jen n GLN 108 CO 0.00 0.00 0.00 -1.12 0.07 0.00 0.00 177.06 176.01 1jen s SER 109 N -7.01 -0.12 -0.04 1.69 0.01 -1.26 -5.02 113.70 101.95 1jen s SER 109 Ca -0.23 0.17 -0.02 0.00 1.31 0.00 0.00 55.95 57.18 1jen s SER 109 Cb 0.07 0.32 0.02 0.00 0.21 0.00 0.00 66.02 66.63 1jen s SER 109 CO 0.75 -0.17 0.08 0.12 0.41 0.00 0.00 173.24 174.43 1jen s PHE 110 N -0.42 -0.08 -0.09 2.43 2.19 -1.26 -5.05 117.98 115.70 1jen s PHE 110 Ca -0.05 0.27 -0.04 0.00 0.33 0.00 0.00 56.93 57.44 1jen s PHE 110 Cb -0.03 -0.07 0.05 0.00 -1.31 0.00 0.00 43.02 41.65 1jen s PHE 110 CO 0.01 -0.09 0.19 -0.06 1.83 0.00 0.00 175.22 177.10 1jen s PHE 111 N 0.64 -0.24 -0.11 10.12 0.08 -1.26 -3.51 117.98 123.68 1jen s PHE 111 Ca -0.05 0.66 0.00 0.00 0.12 0.00 0.00 56.93 57.67 1jen s PHE 111 Cb -0.07 -0.11 0.02 0.00 -0.57 0.00 0.00 43.02 42.29 1jen s PHE 111 CO -0.03 -0.25 -0.10 -0.47 -0.10 0.00 0.00 175.22 174.28 1jen s TYR 112 N 1.78 1.66 0.15 0.36 5.04 -0.38 -5.00 117.35 120.96 1jen s TYR 112 Ca -0.03 -0.83 -0.10 0.00 -2.44 0.00 0.00 57.07 53.67 1jen s TYR 112 Cb -0.12 -1.30 -0.00 0.00 0.35 0.00 0.00 41.96 40.89 1jen s TYR 112 CO -0.07 -0.52 0.29 -1.54 -1.34 0.00 0.00 175.55 172.38 1jen s SER 113 N 1.48 0.02 -0.20 4.32 1.04 -1.26 -0.30 113.70 118.79 1jen s SER 113 Ca 0.02 -0.76 -0.32 0.00 0.48 0.00 0.00 55.95 55.37 1jen s SER 113 Cb -0.13 0.43 0.15 0.00 0.10 0.00 0.00 66.02 66.57 1jen s SER 113 CO -0.07 -0.87 1.18 0.00 0.98 0.00 0.00 173.24 174.47 1jen s ARG 114 N -3.93 0.33 0.69 4.02 1.70 -0.92 -5.01 118.95 115.83 1jen s ARG 114 Ca 0.13 -0.02 -0.11 0.00 -0.47 0.00 0.00 55.73 55.26 1jen s ARG 114 Cb 0.03 0.15 0.01 0.00 -0.57 0.00 0.00 34.95 34.58 1jen s ARG 114 CO -0.03 -0.12 1.07 0.21 -1.08 0.00 0.00 175.30 175.35 1jen s LYS 115 N -1.71 2.92 0.49 3.89 2.20 -1.26 -0.45 119.74 125.82 1jen s LYS 115 Ca 0.06 0.44 -0.23 0.00 -0.36 0.00 0.00 55.97 55.88 1jen s LYS 115 Cb -0.01 -2.05 -0.07 0.00 -1.51 0.00 0.00 37.83 34.20 1jen s LYS 115 CO -0.04 -0.97 1.36 0.54 -0.36 0.00 0.00 175.35 175.88 1jen s ASN 116 N -4.34 5.64 0.58 1.43 4.22 -0.20 -4.84 114.94 117.43 1jen s ASN 116 Ca 0.57 2.78 -0.12 0.00 -2.14 0.00 0.00 52.86 53.95 1jen s ASN 116 Cb -0.11 -2.64 -0.05 0.00 1.28 0.00 0.00 41.25 39.73 1jen s ASN 116 CO 0.51 -1.32 1.00 -0.36 -2.04 0.00 0.00 177.10 174.89 1jen s PHE 117 N -1.28 3.58 0.06 1.54 0.08 -1.26 -4.94 117.98 115.76 1jen s PHE 117 Ca 0.66 1.30 -0.15 0.00 0.12 0.00 0.00 56.93 58.86 1jen s PHE 117 Cb -0.41 -2.71 -0.25 0.00 -0.57 0.00 0.00 43.02 39.09 1jen s PHE 117 CO 0.50 -0.57 1.15 0.52 -0.10 0.00 0.00 175.22 176.73 1jen h MET 118 N 0.08 0.67 -2.68 0.44 2.86 -2.03 -3.38 114.93 110.88 1jen h MET 118 Ca -0.45 -0.77 -0.60 0.00 -2.06 0.00 0.00 59.70 55.82 1jen h MET 118 Cb 1.19 0.23 -0.40 0.00 0.06 0.00 0.00 31.60 32.68 1jen h MET 118 CO 0.62 1.34 -0.75 1.63 1.06 0.00 0.00 176.91 180.81 1jen n LYS 119 N -3.86 1.27 -0.21 1.72 4.76 -1.26 -4.98 118.16 115.61 1jen n LYS 119 Ca -0.12 -3.98 0.10 0.00 -2.87 0.00 0.00 58.31 51.44 1jen n LYS 119 Cb 0.91 -2.01 0.38 0.00 -1.84 0.00 0.00 35.03 32.47 1jen n LYS 119 CO 0.00 0.00 0.00 -1.35 -1.37 0.00 0.00 177.40 174.68 1jen h PRO 120 N 5.26 0.66 0.00 1.97 0.11 -1.93 -2.46 132.00 135.61 1jen h PRO 120 Ca 0.19 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 66.26 1jen h PRO 120 Cb 0.80 -0.15 0.00 0.00 0.11 0.00 0.00 31.00 31.77 1jen h PRO 120 CO 0.59 0.44 0.00 -1.13 -0.21 0.00 0.00 178.00 177.69 1jen n SER 121 N -4.50 0.00 0.02 -2.05 3.41 -1.26 -2.48 113.62 106.74 1jen n SER 121 Ca 0.13 0.32 0.12 0.00 -0.26 0.00 0.00 58.87 59.19 1jen n SER 121 Cb 0.35 -0.41 0.32 0.00 -0.26 0.00 0.00 64.21 64.20 1jen n SER 121 CO 0.00 0.00 0.00 1.41 -0.16 0.00 0.00 175.04 176.29 1jen n HIS 122 N -1.41 0.14 -2.56 7.33 8.25 -0.93 -4.90 115.22 121.13 1jen n HIS 122 Ca 0.05 0.04 -0.32 0.00 -0.26 0.00 0.00 57.72 57.23 1jen n HIS 122 Cb 0.16 -0.40 -0.04 0.00 1.12 0.00 0.00 29.99 30.83 1jen n HIS 122 CO 0.00 0.00 0.00 -0.65 0.64 0.00 0.00 176.34 176.33 1jen s GLN 123 N -3.04 3.93 0.36 -0.41 -1.52 -1.04 -4.99 119.66 112.96 1jen s GLN 123 Ca 0.11 0.84 0.08 0.00 -1.95 0.00 0.00 55.36 54.43 1jen s GLN 123 Cb 0.17 -2.21 -0.03 0.00 -0.22 0.00 0.00 33.01 30.72 1jen s GLN 123 CO 0.67 -0.18 0.29 0.20 -0.25 0.00 0.00 175.29 176.01 1jen s GLY 124 N -3.00 1.92 0.41 3.09 0.00 -1.26 -4.62 107.32 103.85 1jen s GLY 124 Ca 0.57 -1.76 -0.27 0.00 0.00 0.00 0.00 44.72 43.27 1jen s GLY 124 CO 0.29 -1.65 1.38 2.98 0.00 0.00 0.00 173.10 176.11 1jen n TYR 125 N -1.38 2.56 -0.81 1.90 4.19 -1.26 -0.77 117.16 121.60 1jen n TYR 125 Ca -0.01 0.48 -0.21 0.00 3.31 0.00 0.00 57.90 61.47 1jen n TYR 125 Cb 0.61 -2.45 0.10 0.00 0.49 0.00 0.00 39.34 38.09 1jen n TYR 125 CO 0.00 0.00 0.00 -0.35 0.91 0.00 0.00 176.86 177.42 1jen n PRO 126 N 0.16 2.03 -0.56 2.98 -0.04 -1.26 -4.96 135.00 133.36 1jen n PRO 126 Ca 0.04 -2.27 0.03 0.00 -0.04 0.00 0.00 63.50 61.27 1jen n PRO 126 Cb 0.39 -1.89 0.20 0.00 -0.04 0.00 0.00 33.50 32.17 1jen n PRO 126 CO 0.00 0.00 0.00 0.72 -0.04 0.00 0.00 175.50 176.18 1jen n HIS 127 N -0.53 0.66 0.41 0.54 8.25 0.05 -3.10 115.22 121.50 1jen n HIS 127 Ca 0.44 -1.31 0.13 0.00 -0.26 0.00 0.00 57.72 56.73 1jen n HIS 127 Cb 1.07 -0.35 0.46 0.00 1.12 0.00 0.00 29.99 32.29 1jen n HIS 127 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1jen h ARG 128 N 1.00 0.00 -1.77 -0.41 3.08 -1.82 -3.43 114.38 111.03 1jen h ARG 128 Ca 0.09 0.00 0.21 0.00 0.07 0.00 0.00 59.98 60.35 1jen h ARG 128 Cb 1.37 0.00 -0.17 0.00 0.08 0.00 0.00 29.97 31.26 1jen h ARG 128 CO 0.21 0.00 0.70 0.54 -1.07 0.00 0.00 179.97 180.35 1jen s ASN 129 N -4.95 -0.21 0.38 7.04 2.20 -1.26 -4.73 114.94 113.40 1jen s ASN 129 Ca 0.06 -0.02 0.06 0.00 -0.94 0.00 0.00 52.86 52.02 1jen s ASN 129 Cb 0.09 0.24 0.74 0.00 -2.00 0.00 0.00 41.25 40.32 1jen s ASN 129 CO 0.53 -0.39 1.96 0.15 -2.94 0.00 0.00 177.10 176.41 1jen h PHE 130 N 2.00 0.48 -0.39 1.54 3.57 -1.93 -2.47 116.94 119.74 1jen h PHE 130 Ca -0.15 -0.02 -0.03 0.00 3.53 0.00 0.00 57.97 61.30 1jen h PHE 130 Cb 1.20 -0.15 -0.02 0.00 2.79 0.00 0.00 35.95 39.76 1jen h PHE 130 CO 0.28 0.42 0.13 0.37 -2.23 0.00 0.00 178.31 177.28 1jen h GLN 131 N 0.48 0.56 -0.04 1.11 5.75 -1.96 0.53 115.11 121.54 1jen h GLN 131 Ca 0.12 -0.08 -0.17 0.00 -0.15 0.00 0.00 58.65 58.37 1jen h GLN 131 Cb 0.17 -0.10 -0.01 0.00 1.07 0.00 0.00 27.48 28.60 1jen h GLN 131 CO -0.01 0.49 -0.71 1.49 -2.65 0.00 0.00 178.83 177.44 1jen h GLU 132 N 0.56 0.22 -0.25 1.69 4.81 -1.74 -2.07 114.58 117.79 1jen h GLU 132 Ca 0.13 -0.18 -0.18 0.00 -0.13 0.00 0.00 59.36 59.00 1jen h GLU 132 Cb 0.16 0.04 -0.00 0.00 0.63 0.00 0.00 28.75 29.57 1jen h GLU 132 CO -0.01 0.84 -0.56 0.93 -0.73 0.00 0.00 179.01 179.48 1jen h GLU 133 N 0.15 0.77 0.05 1.92 5.08 -1.05 -2.24 114.58 119.25 1jen h GLU 133 Ca -0.02 -0.49 -0.00 0.00 -1.00 0.00 0.00 59.36 57.84 1jen h GLU 133 Cb 1.27 0.06 0.00 0.00 0.50 0.00 0.00 28.75 30.58 1jen h GLU 133 CO 0.11 1.12 -0.02 0.82 -1.00 0.00 0.00 179.01 180.04 1jen h ILE 134 N 0.59 0.98 -0.59 3.13 2.04 -0.77 -1.44 117.51 121.45 1jen h ILE 134 Ca 0.01 -0.09 -0.03 0.00 1.00 0.00 0.00 64.86 65.75 1jen h ILE 134 Cb 1.15 1.04 -0.03 0.00 -0.74 0.00 0.00 36.82 38.24 1jen h ILE 134 CO 0.12 0.02 0.23 -0.33 0.00 0.00 0.00 178.15 178.19 1jen h GLU 135 N -0.10 0.86 -0.41 2.37 5.08 -1.39 0.21 114.58 121.19 1jen h GLU 135 Ca -0.01 -0.13 -0.04 0.00 -1.00 0.00 0.00 59.36 58.18 1jen h GLU 135 Cb 0.09 -0.15 -0.02 0.00 0.50 0.00 0.00 28.75 29.17 1jen h GLU 135 CO 0.01 0.70 0.10 0.35 -1.00 0.00 0.00 179.01 179.18 1jen h PHE 136 N 0.84 0.68 -0.08 4.33 3.04 -1.20 -2.38 116.94 122.17 1jen h PHE 136 Ca 0.20 -0.08 -0.13 0.00 3.98 0.00 0.00 57.97 61.94 1jen h PHE 136 Cb 0.17 -0.19 -0.01 0.00 2.56 0.00 0.00 35.95 38.48 1jen h PHE 136 CO 0.01 0.65 -0.52 -0.07 -2.02 0.00 0.00 178.31 176.36 1jen h LEU 137 N 0.52 0.24 -1.69 0.59 3.38 -0.82 -2.87 115.31 114.66 1jen h LEU 137 Ca 0.13 -0.12 -0.03 0.00 0.09 0.00 0.00 57.88 57.95 1jen h LEU 137 Cb 0.31 -0.07 -0.00 0.00 0.09 0.00 0.00 40.66 40.98 1jen h LEU 137 CO 0.00 0.72 -0.13 0.78 0.09 0.00 0.00 178.44 179.90 1jen h ASN 138 N 0.18 0.00 0.81 -0.43 2.35 -0.35 0.18 115.58 118.32 1jen h ASN 138 Ca 0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 1jen h ASN 138 Cb 0.98 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.35 1jen h ASN 138 CO 0.08 0.13 0.00 0.00 -1.65 0.00 0.00 177.43 175.99 1jen n ALA 139 N -2.22 2.27 -0.08 -0.83 0.00 -0.92 -3.71 120.51 115.02 1jen n ALA 139 Ca -0.01 -0.10 -0.11 0.00 0.00 0.00 0.00 53.44 53.22 1jen n ALA 139 Cb 0.29 -1.44 -0.07 0.00 0.00 0.00 0.00 19.45 18.24 1jen n ALA 139 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.50 176.61 1jen n ILE 140 N -1.44 0.85 -4.94 0.00 5.41 -0.56 -5.03 119.36 113.66 1jen n ILE 140 Ca 0.08 -0.31 -0.31 0.00 1.00 0.00 0.00 62.75 63.22 1jen n ILE 140 Cb 0.29 -1.12 -0.14 0.00 -0.71 0.00 0.00 39.64 37.96 1jen n ILE 140 CO 0.00 0.00 0.00 -0.36 0.00 0.00 0.00 176.55 176.19 1jen s PHE 141 N -2.30 2.39 -0.18 1.39 0.08 -0.06 -5.04 117.98 114.26 1jen s PHE 141 Ca -0.20 -0.38 0.20 0.00 0.12 0.00 0.00 56.93 56.67 1jen s PHE 141 Cb 0.06 -1.44 -0.07 0.00 -0.57 0.00 0.00 43.02 41.00 1jen s PHE 141 CO 0.33 0.12 0.92 -0.35 -0.10 0.00 0.00 175.22 176.15 1jen n PRO 142 N 1.88 0.61 -1.70 0.24 -0.04 -1.26 -4.37 135.00 130.36 1jen n PRO 142 Ca -0.17 0.16 -0.32 0.00 -0.04 0.00 0.00 63.50 63.13 1jen n PRO 142 Cb 0.52 -1.81 0.05 0.00 -0.04 0.00 0.00 33.50 32.22 1jen n PRO 142 CO 0.00 0.00 0.00 0.27 -0.04 0.00 0.00 175.50 175.73 1jen n ASN 143 N -2.76 6.66 -4.83 3.54 6.94 -1.26 -5.03 115.26 118.52 1jen n ASN 143 Ca -0.05 -3.78 -0.33 0.00 -0.02 0.00 0.00 54.58 50.41 1jen n ASN 143 Cb 0.68 -0.77 -0.06 0.00 -2.36 0.00 0.00 39.78 37.28 1jen n ASN 143 CO 0.00 0.00 0.00 -0.83 -1.03 0.00 0.00 177.26 175.40 1jen s GLY 144 N -2.36 2.27 -0.07 4.83 0.00 -1.26 0.12 107.32 110.84 1jen s GLY 144 Ca 0.58 0.31 -0.03 0.00 0.00 0.00 0.00 44.72 45.58 1jen s GLY 144 CO -0.07 0.59 0.14 0.00 0.00 0.00 0.00 173.10 173.76 1jen s ALA 145 N -2.35 -0.08 0.03 3.20 0.00 0.32 -4.82 121.76 118.06 1jen s ALA 145 Ca 0.61 0.48 0.04 0.00 0.00 0.00 0.00 51.96 53.09 1jen s ALA 145 Cb -0.09 -0.77 -0.04 0.00 0.00 0.00 0.00 23.12 22.23 1jen s ALA 145 CO 0.20 -0.54 -0.06 0.00 0.00 0.00 0.00 175.76 175.36 1jen s ALA 146 N 2.24 3.06 0.03 0.00 0.00 -1.26 -1.01 121.76 124.81 1jen s ALA 146 Ca 0.03 -1.06 -0.05 0.00 0.00 0.00 0.00 51.96 50.88 1jen s ALA 146 Cb -0.12 -1.12 -0.01 0.00 0.00 0.00 0.00 23.12 21.87 1jen s ALA 146 CO -0.05 0.63 0.09 0.71 0.00 0.00 0.00 175.76 177.14 1jen s TYR 147 N -1.08 0.16 -0.19 0.00 1.51 0.12 -5.01 117.35 112.87 1jen s TYR 147 Ca 0.19 -0.40 0.01 0.00 -1.01 0.00 0.00 57.07 55.85 1jen s TYR 147 Cb -0.11 -0.12 0.04 0.00 -0.11 0.00 0.00 41.96 41.65 1jen s TYR 147 CO 0.10 -0.32 -0.12 0.00 -1.11 0.00 0.00 175.55 174.10 1jen s MET 149 N 1.40 3.23 0.34 0.00 -1.94 0.92 -4.96 119.30 118.30 1jen s MET 149 Ca 0.01 -0.29 0.00 0.00 -1.71 0.00 0.00 55.69 53.70 1jen s MET 149 Cb -0.15 -3.00 0.00 0.00 2.01 0.00 0.00 34.83 33.69 1jen s MET 149 CO -0.09 0.73 0.00 0.41 -0.01 0.00 0.00 175.02 176.06 1jen n GLY 150 N 1.86 -2.38 3.60 -0.03 0.00 -1.26 -1.13 105.19 105.85 1jen n GLY 150 Ca -0.18 -1.76 -0.43 0.00 0.00 0.00 0.00 46.02 43.65 1jen n GLY 150 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1jen s ARG 151 N -0.35 3.45 0.65 1.61 3.52 -1.26 -4.93 118.95 121.66 1jen s ARG 151 Ca 0.00 1.03 -0.17 0.00 -0.13 0.00 0.00 55.73 56.45 1jen s ARG 151 Cb 0.00 -4.09 -0.02 0.00 -1.56 0.00 0.00 34.95 29.27 1jen s ARG 151 CO 0.00 -1.72 0.99 -1.33 -0.81 0.00 0.00 175.30 172.43 1jen n MET 152 N 8.26 0.76 -3.08 5.12 2.81 -1.26 -2.39 117.12 127.35 1jen n MET 152 Ca 0.18 0.31 -0.21 0.00 -1.81 0.00 0.00 57.70 56.17 1jen n MET 152 Cb 0.48 -2.22 0.00 0.00 -0.71 0.00 0.00 33.22 30.77 1jen n MET 152 CO 0.00 0.00 0.00 0.09 1.51 0.00 0.00 175.97 177.57 1jen n ASN 153 N -1.21 -4.33 0.00 7.83 3.02 -1.26 -4.87 115.26 114.44 1jen n ASN 153 Ca 0.14 -0.24 0.00 0.00 -0.03 0.00 0.00 54.58 54.45 1jen n ASN 153 Cb 0.48 -3.58 0.00 0.00 -0.61 0.00 0.00 39.78 36.08 1jen n ASN 153 CO 0.00 0.00 0.00 -0.24 -2.62 0.00 0.00 177.26 174.40 1jen n SER 154 N -2.24 0.00 -4.57 6.41 2.88 -1.00 -5.08 113.62 110.02 1jen n SER 154 Ca -0.07 0.00 -0.41 0.00 -1.33 0.00 0.00 58.87 57.06 1jen n SER 154 Cb 0.58 0.00 -0.03 0.00 -0.75 0.00 0.00 64.21 64.01 1jen n SER 154 CO 0.00 0.00 0.00 -1.81 -1.23 0.00 0.00 175.04 172.00 1jen s ASP 155 N 1.81 5.99 0.35 -3.46 1.11 -1.25 -4.87 116.67 116.34 1jen s ASP 155 Ca 0.00 0.12 0.04 0.00 0.18 0.00 0.00 52.55 52.89 1jen s ASP 155 Cb 0.00 -2.55 -0.04 0.00 1.07 0.00 0.00 42.92 41.41 1jen s ASP 155 CO 0.00 -1.85 0.14 0.00 1.18 0.00 0.00 175.17 174.64 1jen s TRP 157 N -3.41 0.40 0.05 0.00 -0.00 -0.28 -1.03 118.94 114.66 1jen s TRP 157 Ca 0.32 -0.07 0.05 0.00 -0.00 0.00 0.00 56.10 56.39 1jen s TRP 157 Cb 0.04 -0.27 -0.04 0.00 -0.00 0.00 0.00 33.47 33.21 1jen s TRP 157 CO 0.16 -0.02 -0.10 0.71 -0.00 0.00 0.00 176.95 177.71 1jen s TYR 158 N -0.04 2.78 -0.07 5.86 2.02 0.40 -0.05 117.35 128.25 1jen s TYR 158 Ca 0.01 -0.12 -0.04 0.00 -0.37 0.00 0.00 57.07 56.54 1jen s TYR 158 Cb -0.02 -1.52 0.03 0.00 -0.40 0.00 0.00 41.96 40.05 1jen s TYR 158 CO -0.00 0.37 0.16 -1.17 -1.57 0.00 0.00 175.55 173.34 1jen s LEU 159 N -1.74 1.06 -0.14 -1.29 2.96 -0.65 -2.17 118.68 116.71 1jen s LEU 159 Ca 0.18 0.33 0.00 0.00 -0.22 0.00 0.00 54.13 54.43 1jen s LEU 159 Cb -0.11 0.50 0.02 0.00 0.50 0.00 0.00 46.19 47.10 1jen s LEU 159 CO 0.10 -0.10 -0.13 -0.47 -1.32 0.00 0.00 176.35 174.43 1jen s TYR 160 N 0.59 2.03 0.22 5.38 6.14 0.59 -0.70 117.35 131.59 1jen s TYR 160 Ca -0.04 -1.13 0.03 0.00 0.64 0.00 0.00 57.07 56.57 1jen s TYR 160 Cb -0.06 -1.52 -0.05 0.00 0.42 0.00 0.00 41.96 40.75 1jen s TYR 160 CO -0.03 -0.64 0.01 -0.08 0.64 0.00 0.00 175.55 175.45 1jen s THR 161 N 1.53 0.91 -0.18 4.34 -1.32 -0.18 -1.25 115.64 119.49 1jen s THR 161 Ca 0.05 -2.02 -0.09 0.00 -1.21 0.00 0.00 61.69 58.42 1jen s THR 161 Cb -0.13 -2.32 -0.05 0.00 -1.51 0.00 0.00 72.50 68.49 1jen s THR 161 CO -0.10 -0.33 0.12 -0.76 -2.21 0.00 0.00 174.62 171.34 1jen s LEU 162 N -3.28 4.18 -0.41 9.08 1.43 -1.23 -0.52 118.68 127.94 1jen s LEU 162 Ca 0.28 0.25 -0.19 0.00 -1.03 0.00 0.00 54.13 53.44 1jen s LEU 162 Cb 0.06 -2.07 0.02 0.00 0.03 0.00 0.00 46.19 44.23 1jen s LEU 162 CO 0.08 0.22 0.56 -0.62 0.23 0.00 0.00 176.35 176.83 1jen s ASP 163 N 0.09 6.29 0.00 2.29 2.15 0.12 -4.84 116.67 122.78 1jen s ASP 163 Ca 0.09 -0.32 0.00 0.00 0.43 0.00 0.00 52.55 52.74 1jen s ASP 163 Cb -0.11 -2.28 0.00 0.00 -0.30 0.00 0.00 42.92 40.22 1jen s ASP 163 CO -0.01 -0.65 0.00 0.49 -0.17 0.00 0.00 175.17 174.83 1jen n PHE 164 N 5.97 0.00 -1.65 -5.34 3.72 -1.26 -4.82 117.46 114.07 1jen n PHE 164 Ca -0.04 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.36 1jen n PHE 164 Cb 0.48 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.02 1jen n PHE 164 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1jen n GLN 172 N 0.00 -2.59 -1.82 -1.08 10.64 -1.26 -5.02 117.38 116.25 1jen n GLN 172 Ca 0.00 1.88 -0.41 0.00 -1.83 0.00 0.00 57.00 56.64 1jen n GLN 172 Cb 0.00 -2.34 -0.01 0.00 -0.86 0.00 0.00 30.24 27.04 1jen n GLN 172 CO 0.00 0.00 0.00 -1.25 -1.83 0.00 0.00 177.06 173.98 1jen s PRO 173 N -1.83 4.13 -0.08 2.61 0.04 -1.26 -4.80 135.00 133.81 1jen s PRO 173 Ca 0.00 2.55 -0.18 0.00 0.04 0.00 0.00 61.00 63.40 1jen s PRO 173 Cb 0.00 -2.99 0.04 0.00 0.04 0.00 0.00 34.50 31.59 1jen s PRO 173 CO 0.00 -0.53 0.44 0.34 0.04 0.00 0.00 177.00 177.29 1jen s ASP 174 N -0.04 -0.39 -0.06 6.66 2.15 -1.26 -4.87 116.67 118.86 1jen s ASP 174 Ca 0.55 0.53 -0.30 0.00 0.43 0.00 0.00 52.55 53.76 1jen s ASP 174 Cb -0.46 0.60 0.08 0.00 -0.30 0.00 0.00 42.92 42.84 1jen s ASP 174 CO 0.59 -0.37 0.74 0.00 -0.17 0.00 0.00 175.17 175.96 1jen s GLN 175 N -0.70 0.98 -0.06 4.34 0.00 -1.26 -1.78 119.66 121.18 1jen s GLN 175 Ca -0.08 0.18 -0.03 0.00 -0.00 0.00 0.00 55.36 55.43 1jen s GLN 175 Cb -0.03 0.46 0.04 0.00 0.00 0.00 0.00 33.01 33.47 1jen s GLN 175 CO 0.04 -0.32 0.14 0.99 0.00 0.00 0.00 175.29 176.14 1jen s THR 176 N -1.38 -0.05 -0.04 3.63 2.01 -0.38 -4.35 115.64 115.08 1jen s THR 176 Ca -0.08 0.17 0.06 0.00 0.31 0.00 0.00 61.69 62.15 1jen s THR 176 Cb -0.00 -0.22 -0.01 0.00 0.01 0.00 0.00 72.50 72.27 1jen s THR 176 CO 0.07 0.07 -0.24 -0.22 -0.69 0.00 0.00 174.62 173.60 1jen s LEU 177 N 1.06 2.04 -0.01 4.42 2.96 0.10 -1.45 118.68 127.80 1jen s LEU 177 Ca -0.08 -0.47 0.04 0.00 -0.22 0.00 0.00 54.13 53.40 1jen s LEU 177 Cb -0.11 -1.29 -0.01 0.00 0.50 0.00 0.00 46.19 45.28 1jen s LEU 177 CO -0.05 0.26 -0.13 -1.61 -1.32 0.00 0.00 176.35 173.49 1jen s GLU 178 N -0.30 1.10 -0.22 1.98 2.02 -0.55 -1.14 118.70 121.60 1jen s GLU 178 Ca 0.01 -0.47 -0.00 0.00 0.02 0.00 0.00 54.97 54.53 1jen s GLU 178 Cb -0.12 -1.05 0.06 0.00 0.10 0.00 0.00 34.13 33.12 1jen s GLU 178 CO 0.02 0.27 -0.04 0.42 0.02 0.00 0.00 175.26 175.96 1jen s ILE 179 N -0.27 1.31 -0.41 -1.63 1.01 0.68 -1.51 121.20 120.38 1jen s ILE 179 Ca 0.04 -1.06 -0.10 0.00 0.00 0.00 0.00 60.65 59.54 1jen s ILE 179 Cb -0.06 -1.62 0.07 0.00 0.01 0.00 0.00 42.46 40.86 1jen s ILE 179 CO -0.00 -0.11 0.24 -0.76 0.00 0.00 0.00 174.94 174.30 1jen s LEU 180 N 1.50 5.02 -0.05 2.97 1.43 0.01 -0.90 118.68 128.66 1jen s LEU 180 Ca -0.05 -1.37 -0.02 0.00 -1.03 0.00 0.00 54.13 51.66 1jen s LEU 180 Cb -0.18 -1.99 -0.04 0.00 0.03 0.00 0.00 46.19 44.01 1jen s LEU 180 CO -0.07 -0.50 0.08 -0.04 0.23 0.00 0.00 176.35 176.06 1jen s MET 181 N 1.46 3.14 0.19 1.70 -1.94 0.21 -1.78 119.30 122.28 1jen s MET 181 Ca 0.02 -0.39 0.01 0.00 -1.71 0.00 0.00 55.69 53.63 1jen s MET 181 Cb -0.22 -2.92 -0.05 0.00 2.01 0.00 0.00 34.83 33.65 1jen s MET 181 CO 0.03 0.69 0.05 -1.12 -0.01 0.00 0.00 175.02 174.66 1jen s SER 182 N -1.39 0.93 -1.26 3.03 0.01 -0.42 -0.72 113.70 113.89 1jen s SER 182 Ca 0.19 -1.26 -0.09 0.00 1.31 0.00 0.00 55.95 56.10 1jen s SER 182 Cb -0.12 0.19 -0.01 0.00 0.21 0.00 0.00 66.02 66.30 1jen s SER 182 CO 0.09 -0.67 0.65 -0.62 0.41 0.00 0.00 173.24 173.10 1jen n GLU 183 N -0.28 -2.75 -1.88 12.44 1.02 -1.24 -1.66 120.64 126.28 1jen n GLU 183 Ca -0.03 0.49 -0.31 0.00 -0.02 0.00 0.00 57.16 57.28 1jen n GLU 183 Cb 0.64 -4.54 0.01 0.00 -0.02 0.00 0.00 31.44 27.54 1jen n GLU 183 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 1jen s LEU 184 N -6.65 3.26 0.02 -4.62 1.02 -1.26 -0.75 118.68 109.70 1jen s LEU 184 Ca 0.21 1.47 -0.30 0.00 0.02 0.00 0.00 54.13 55.54 1jen s LEU 184 Cb -0.07 -4.48 -0.08 0.00 0.02 0.00 0.00 46.19 41.58 1jen s LEU 184 CO 0.86 -0.93 1.91 -0.62 0.02 0.00 0.00 176.35 177.59 1jen s ASP 185 N -3.99 6.49 0.53 2.29 -1.08 -0.64 -4.89 116.67 115.38 1jen s ASP 185 Ca 0.56 2.60 0.21 0.00 -0.52 0.00 0.00 52.55 55.40 1jen s ASP 185 Cb -0.11 -2.53 1.35 0.00 -1.46 0.00 0.00 42.92 40.17 1jen s ASP 185 CO 0.52 -1.03 2.07 1.55 0.52 0.00 0.00 175.17 178.79 1jen h PRO 186 N 10.38 0.00 -0.11 4.34 0.13 -1.93 -0.76 132.00 144.04 1jen h PRO 186 Ca -0.48 0.00 -0.11 0.00 -0.87 0.00 0.00 66.00 64.54 1jen h PRO 186 Cb 1.23 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.34 1jen h PRO 186 CO 0.94 0.00 -0.43 0.00 -0.23 0.00 0.00 178.00 178.29 1jen h ALA 187 N 1.85 1.07 0.11 -0.56 0.00 -2.00 -1.93 119.26 117.81 1jen h ALA 187 Ca 0.13 -0.43 -0.27 0.00 0.00 0.00 0.00 54.91 54.35 1jen h ALA 187 Cb 0.54 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.24 1jen h ALA 187 CO -0.00 0.61 -1.20 0.28 0.00 0.00 0.00 179.25 178.93 1jen h VAL 188 N 0.22 1.52 0.00 0.00 2.07 -1.55 -3.26 116.25 115.24 1jen h VAL 188 Ca 0.02 -3.07 0.00 0.00 0.82 0.00 0.00 66.70 64.47 1jen h VAL 188 Cb 0.85 2.91 0.00 0.00 -1.52 0.00 0.00 31.29 33.53 1jen h VAL 188 CO 0.07 0.89 0.00 0.24 0.02 0.00 0.00 177.57 178.79 1jen h MET 189 N 0.07 0.00 0.00 1.57 2.86 -0.98 -3.13 114.93 115.32 1jen h MET 189 Ca -0.12 0.00 -0.05 0.00 -2.06 0.00 0.00 59.70 57.47 1jen h MET 189 Cb 1.93 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 33.59 1jen h MET 189 CO 0.20 0.00 -0.23 0.22 1.06 0.00 0.00 176.91 178.16 1jen h ASP 190 N 0.00 0.00 0.36 1.22 3.58 -1.39 -2.13 116.42 118.06 1jen h ASP 190 Ca 0.00 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.45 1jen h ASP 190 Cb 0.59 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.64 1jen h ASP 190 CO 0.00 0.23 0.00 1.56 -2.88 0.00 0.00 179.24 178.15 1jen h GLN 191 N 0.00 0.00 -0.83 0.28 4.20 -1.73 -2.86 115.11 114.17 1jen h GLN 191 Ca -0.00 0.00 -0.23 0.00 0.06 0.00 0.00 58.65 58.48 1jen h GLN 191 Cb 0.41 0.00 -0.14 0.00 0.30 0.00 0.00 27.48 28.05 1jen h GLN 191 CO 0.03 0.00 0.29 1.19 -0.67 0.00 0.00 178.83 179.67 1jen n PHE 192 N -3.08 2.21 -4.76 2.96 3.72 -0.80 -4.81 117.46 112.90 1jen n PHE 192 Ca -0.02 -1.15 -0.33 0.00 -0.05 0.00 0.00 57.45 55.90 1jen n PHE 192 Cb 0.15 -0.66 -0.14 0.00 -0.94 0.00 0.00 39.48 37.90 1jen n PHE 192 CO 0.00 0.00 0.00 0.71 -0.05 0.00 0.00 176.76 177.42 1jen s TYR 193 N -2.65 2.82 0.25 1.38 1.51 -1.08 -1.29 117.35 118.28 1jen s TYR 193 Ca 0.47 -0.45 -0.31 0.00 -1.01 0.00 0.00 57.07 55.77 1jen s TYR 193 Cb 0.38 -1.79 -0.12 0.00 -0.11 0.00 0.00 41.96 40.32 1jen s TYR 193 CO 0.11 -0.06 1.64 -1.33 -1.11 0.00 0.00 175.55 174.81 1jen n MET 194 N 3.14 2.67 -4.16 -0.62 2.81 -0.44 -4.99 117.12 115.54 1jen n MET 194 Ca -0.18 0.96 -0.17 0.00 -1.81 0.00 0.00 57.70 56.50 1jen n MET 194 Cb 0.53 -2.76 -0.12 0.00 -0.71 0.00 0.00 33.22 30.16 1jen n MET 194 CO 0.00 0.00 0.00 0.15 1.51 0.00 0.00 175.97 177.63 1jen s LYS 195 N 0.32 0.78 0.21 0.03 1.02 -1.26 -5.00 119.74 115.83 1jen s LYS 195 Ca 0.70 -0.97 -0.31 0.00 0.02 0.00 0.00 55.97 55.40 1jen s LYS 195 Cb -0.52 -0.68 -0.11 0.00 -0.52 0.00 0.00 37.83 36.00 1jen s LYS 195 CO 0.41 0.14 1.60 -0.51 -0.92 0.00 0.00 175.35 176.06 1jen s ASP 196 N -1.88 6.51 0.00 2.83 1.01 -1.26 -2.65 116.67 121.23 1jen s ASP 196 Ca -0.01 2.74 0.00 0.00 0.71 0.00 0.00 52.55 55.99 1jen s ASP 196 Cb -0.08 -2.61 0.00 0.00 1.01 0.00 0.00 42.92 41.24 1jen s ASP 196 CO 0.02 -0.86 0.00 0.61 0.21 0.00 0.00 175.17 175.14 1jen n GLY 197 N 3.37 0.55 3.20 0.21 0.00 -1.26 -4.99 105.19 106.27 1jen n GLY 197 Ca 0.13 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.80 1jen n GLY 197 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1jen s VAL 198 N -2.44 2.89 0.61 1.61 1.01 -1.08 -5.10 120.40 117.90 1jen s VAL 198 Ca 0.00 -1.08 -0.02 0.00 0.00 0.00 0.00 61.98 60.88 1jen s VAL 198 Cb 0.00 -2.50 0.04 0.00 0.00 0.00 0.00 36.38 33.93 1jen s VAL 198 CO 0.00 0.15 0.88 0.42 0.00 0.00 0.00 175.10 176.55 1jen s THR 199 N 1.31 2.58 0.25 3.92 -4.23 -1.26 -4.57 115.64 113.64 1jen s THR 199 Ca -0.01 -0.47 -0.05 0.00 -1.18 0.00 0.00 61.69 59.99 1jen s THR 199 Cb -0.17 -3.03 0.20 0.00 1.34 0.00 0.00 72.50 70.83 1jen s THR 199 CO -0.04 -0.03 1.85 0.00 -0.54 0.00 0.00 174.62 175.87 1jen h ALA 200 N -0.21 1.19 -0.64 3.99 0.00 -1.96 -1.47 119.26 120.17 1jen h ALA 200 Ca -0.43 -0.14 -0.01 0.00 0.00 0.00 0.00 54.91 54.32 1jen h ALA 200 Cb 1.30 -0.32 -0.03 0.00 0.00 0.00 0.00 17.79 18.74 1jen h ALA 200 CO 0.56 0.63 0.35 -0.22 0.00 0.00 0.00 179.25 180.56 1jen h LYS 201 N 1.15 0.89 0.00 0.00 3.64 -1.94 0.42 116.57 120.73 1jen h LYS 201 Ca 0.28 -0.11 0.01 0.00 -1.27 0.00 0.00 60.65 59.56 1jen h LYS 201 Cb 0.08 -0.17 -0.01 0.00 -0.41 0.00 0.00 32.23 31.72 1jen h LYS 201 CO -0.04 0.68 -0.05 -0.44 -2.27 0.00 0.00 179.45 177.33 1jen h ASP 202 N 0.87 -0.14 -0.50 4.20 3.32 -1.76 -2.40 116.42 120.02 1jen h ASP 202 Ca 0.22 0.02 0.00 0.00 0.02 0.00 0.00 57.03 57.30 1jen h ASP 202 Cb 0.05 0.06 -0.02 0.00 0.22 0.00 0.00 39.33 39.63 1jen h ASP 202 CO -0.04 -0.07 0.32 0.58 -1.72 0.00 0.00 179.24 178.32 1jen h VAL 203 N -0.09 1.13 -0.97 -1.35 2.07 -0.92 0.07 116.25 116.20 1jen h VAL 203 Ca 0.02 -0.26 0.13 0.00 0.82 0.00 0.00 66.70 67.41 1jen h VAL 203 Cb 0.11 0.41 -0.08 0.00 -1.52 0.00 0.00 31.29 30.21 1jen h VAL 203 CO -0.05 0.13 0.62 0.74 0.02 0.00 0.00 177.57 179.03 1jen h THR 204 N 0.67 0.89 0.07 2.57 2.02 -0.72 -0.22 112.91 118.20 1jen h THR 204 Ca 0.18 -0.31 -0.00 0.00 0.77 0.00 0.00 66.41 67.05 1jen h THR 204 Cb -0.06 -0.10 0.00 0.00 -1.74 0.00 0.00 68.15 66.25 1jen h THR 204 CO -0.04 0.17 -0.03 -0.09 0.37 0.00 0.00 175.52 175.89 1jen h ARG 205 N 0.91 -0.09 -0.03 6.66 2.43 -0.94 -1.22 114.38 122.10 1jen h ARG 205 Ca 0.49 0.01 -0.03 0.00 -0.81 0.00 0.00 59.98 59.64 1jen h ARG 205 Cb 0.56 0.02 -0.01 0.00 -0.42 0.00 0.00 29.97 30.13 1jen h ARG 205 CO -0.25 0.41 -0.11 0.93 -1.51 0.00 0.00 179.97 179.43 1jen h GLU 206 N -0.94 0.04 0.00 0.20 4.39 -0.80 -2.56 114.58 114.91 1jen h GLU 206 Ca -0.01 -0.01 -0.01 0.00 0.34 0.00 0.00 59.36 59.67 1jen h GLU 206 Cb 0.54 -0.01 -0.00 0.00 -0.10 0.00 0.00 28.75 29.18 1jen h GLU 206 CO 0.02 0.16 -0.05 0.66 -1.16 0.00 0.00 179.01 178.63 1jen h SER 207 N 0.04 0.00 0.00 1.42 4.64 -1.17 -3.47 113.55 115.01 1jen h SER 207 Ca 0.01 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.33 1jen h SER 207 Cb 0.23 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.32 1jen h SER 207 CO 0.02 0.05 0.00 0.61 -0.87 0.00 0.00 176.83 176.64 1jen n GLY 208 N 0.56 0.15 0.10 -0.77 0.00 -0.96 -4.93 105.19 99.33 1jen n GLY 208 Ca 0.02 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.93 1jen n GLY 208 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 1jen h ILE 209 N 0.00 0.86 -1.08 -0.61 2.04 -1.73 -3.08 117.51 113.90 1jen h ILE 209 Ca 0.00 0.00 0.31 0.00 1.00 0.00 0.00 64.86 66.17 1jen h ILE 209 Cb 0.00 0.86 -0.12 0.00 -0.74 0.00 0.00 36.82 36.82 1jen h ILE 209 CO 0.00 0.00 0.67 -0.09 0.00 0.00 0.00 178.15 178.73 1jen h ARG 210 N -0.10 0.33 -0.19 2.37 2.43 -1.51 0.56 114.38 118.27 1jen h ARG 210 Ca 0.02 -0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 1jen h ARG 210 Cb 0.13 -0.07 0.00 0.00 -0.42 0.00 0.00 29.97 29.60 1jen h ARG 210 CO -0.06 0.22 0.00 -0.25 -1.51 0.00 0.00 179.97 178.37 1jen n ASP 211 N -4.80 1.90 -0.33 -3.80 8.00 -1.16 -4.24 116.55 112.12 1jen n ASP 211 Ca 0.30 -1.75 -0.02 0.00 0.71 0.00 0.00 54.79 54.04 1jen n ASP 211 Cb 1.00 -0.12 0.14 0.00 -0.02 0.00 0.00 41.12 42.13 1jen n ASP 211 CO 0.00 0.00 0.00 -0.07 -0.39 0.00 0.00 177.20 176.74 1jen h LEU 212 N 2.52 1.07 -6.66 0.64 3.38 -0.92 -3.35 115.31 111.99 1jen h LEU 212 Ca 0.00 -0.04 -0.58 0.00 0.09 0.00 0.00 57.88 57.35 1jen h LEU 212 Cb 0.55 -0.27 -0.39 0.00 0.09 0.00 0.00 40.66 40.64 1jen h LEU 212 CO 0.00 0.79 -0.83 -0.63 0.09 0.00 0.00 178.44 177.86 1jen s ILE 213 N -5.99 0.29 0.69 1.22 1.01 -1.26 -5.06 121.20 112.10 1jen s ILE 213 Ca -0.12 -1.72 -0.17 0.00 0.00 0.00 0.00 60.65 58.64 1jen s ILE 213 Cb 0.18 -1.22 -0.00 0.00 0.01 0.00 0.00 42.46 41.43 1jen s ILE 213 CO 0.81 -0.95 1.08 -2.65 0.00 0.00 0.00 174.94 173.23 1jen n PRO 214 N 4.11 0.71 -1.85 2.79 -0.02 -1.26 -3.86 135.00 135.62 1jen n PRO 214 Ca 0.10 0.30 -0.06 0.00 -2.02 0.00 0.00 63.50 61.82 1jen n PRO 214 Cb 0.37 -2.32 -0.01 0.00 -0.02 0.00 0.00 33.50 31.52 1jen n PRO 214 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1jen n GLY 215 N 1.03 0.32 3.83 -1.23 0.00 -1.26 -5.04 105.19 102.84 1jen n GLY 215 Ca 0.14 -0.69 -0.25 0.00 0.00 0.00 0.00 46.02 45.21 1jen n GLY 215 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1jen s SER 216 N -2.80 5.66 -0.26 1.61 0.01 -1.25 -4.70 113.70 111.96 1jen s SER 216 Ca 0.00 -0.10 -0.13 0.00 1.31 0.00 0.00 55.95 57.02 1jen s SER 216 Cb 0.00 -1.51 -0.04 0.00 0.21 0.00 0.00 66.02 64.67 1jen s SER 216 CO 0.00 0.04 0.29 -0.69 0.41 0.00 0.00 173.24 173.29 1jen s VAL 217 N -1.83 5.25 -0.05 3.43 1.01 -0.07 -4.89 120.40 123.25 1jen s VAL 217 Ca 0.32 0.40 0.02 0.00 0.00 0.00 0.00 61.98 62.72 1jen s VAL 217 Cb -0.10 -3.62 -0.03 0.00 0.00 0.00 0.00 36.38 32.63 1jen s VAL 217 CO 0.25 0.22 -0.07 -0.63 0.00 0.00 0.00 175.10 174.86 1jen s ILE 218 N 1.76 3.65 -0.23 2.22 1.01 -1.26 -1.77 121.20 126.58 1jen s ILE 218 Ca 0.12 -0.58 -0.01 0.00 0.00 0.00 0.00 60.65 60.18 1jen s ILE 218 Cb -0.15 -2.52 0.07 0.00 0.01 0.00 0.00 42.46 39.87 1jen s ILE 218 CO 0.09 0.54 0.02 -0.62 0.00 0.00 0.00 174.94 174.97 1jen s ASP 219 N -0.99 3.43 0.11 3.58 2.15 -0.60 -5.01 116.67 119.35 1jen s ASP 219 Ca 0.14 -1.11 0.08 0.00 0.43 0.00 0.00 52.55 52.08 1jen s ASP 219 Cb -0.11 -0.83 -0.04 0.00 -0.30 0.00 0.00 42.92 41.64 1jen s ASP 219 CO 0.03 -0.31 -0.19 0.00 -0.17 0.00 0.00 175.17 174.53 1jen s ALA 220 N 1.66 1.73 0.01 3.66 0.00 -1.26 -1.52 121.76 126.04 1jen s ALA 220 Ca -0.00 -1.27 -0.00 0.00 0.00 0.00 0.00 51.96 50.69 1jen s ALA 220 Cb -0.18 -0.19 -0.01 0.00 0.00 0.00 0.00 23.12 22.74 1jen s ALA 220 CO -0.11 0.28 -0.02 0.95 0.00 0.00 0.00 175.76 176.86 1jen s THR 221 N -1.46 0.08 -0.02 0.00 -4.23 -0.21 -4.81 115.64 104.99 1jen s THR 221 Ca 0.07 -0.62 -0.00 0.00 -1.18 0.00 0.00 61.69 59.96 1jen s THR 221 Cb -0.09 -0.18 -0.04 0.00 1.34 0.00 0.00 72.50 73.53 1jen s THR 221 CO 0.04 -0.34 0.03 -0.04 -0.54 0.00 0.00 174.62 173.77 1jen s MET 222 N -1.00 2.93 0.22 3.99 -1.94 -1.26 -1.91 119.30 120.33 1jen s MET 222 Ca -0.11 -0.52 0.07 0.00 -1.71 0.00 0.00 55.69 53.42 1jen s MET 222 Cb -0.07 -2.77 -0.04 0.00 2.01 0.00 0.00 34.83 33.96 1jen s MET 222 CO -0.01 0.65 0.12 -0.06 -0.01 0.00 0.00 175.02 175.71 1jen s PHE 223 N -1.08 3.02 -0.20 -0.03 0.08 -0.23 -4.98 117.98 114.55 1jen s PHE 223 Ca 0.19 -0.10 -0.15 0.00 0.12 0.00 0.00 56.93 56.99 1jen s PHE 223 Cb -0.12 -1.40 -0.04 0.00 -0.57 0.00 0.00 43.02 40.89 1jen s PHE 223 CO 0.10 0.53 0.35 1.21 -0.10 0.00 0.00 175.22 177.31 1jen s ASN 224 N -3.45 6.39 0.00 1.36 2.47 -1.26 -1.81 114.94 118.63 1jen s ASN 224 Ca 0.31 0.45 0.26 0.00 0.42 0.00 0.00 52.86 54.30 1jen s ASN 224 Cb -0.09 -2.21 0.67 0.00 -1.45 0.00 0.00 41.25 38.18 1jen s ASN 224 CO 0.23 -0.03 1.52 -0.81 -3.72 0.00 0.00 177.10 174.28 1jen n PRO 225 N 4.33 0.38 -3.81 0.43 -0.04 -1.26 -5.01 135.00 130.01 1jen n PRO 225 Ca -0.10 -0.21 -0.10 0.00 -0.04 0.00 0.00 63.50 63.05 1jen n PRO 225 Cb 0.51 -1.50 -0.05 0.00 -0.04 0.00 0.00 33.50 32.43 1jen n PRO 225 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1jen n GLY 227 N -0.29 3.32 3.33 0.00 0.00 -0.41 -4.34 105.19 106.80 1jen n GLY 227 Ca -0.09 -1.73 -0.12 0.00 0.00 0.00 0.00 46.02 44.08 1jen n GLY 227 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1jen s TYR 228 N -1.89 -0.53 0.01 1.61 6.14 -0.92 -1.07 117.35 120.70 1jen s TYR 228 Ca 0.00 1.24 0.02 0.00 0.64 0.00 0.00 57.07 58.97 1jen s TYR 228 Cb 0.00 0.20 -0.01 0.00 0.42 0.00 0.00 41.96 42.57 1jen s TYR 228 CO 0.00 -0.27 -0.07 -1.12 0.64 0.00 0.00 175.55 174.73 1jen s SER 229 N 0.56 0.84 0.05 4.32 0.01 -0.80 0.05 113.70 118.72 1jen s SER 229 Ca -0.03 -0.25 -0.11 0.00 1.31 0.00 0.00 55.95 56.87 1jen s SER 229 Cb -0.04 -0.05 0.01 0.00 0.21 0.00 0.00 66.02 66.14 1jen s SER 229 CO -0.03 0.00 0.24 0.00 0.41 0.00 0.00 173.24 173.86 1jen s MET 230 N -0.58 0.75 -0.02 12.44 0.23 -0.39 -1.05 119.30 130.68 1jen s MET 230 Ca -0.01 -0.61 0.04 0.00 -1.03 0.00 0.00 55.69 54.08 1jen s MET 230 Cb -0.05 0.32 -0.00 0.00 -1.53 0.00 0.00 34.83 33.56 1jen s MET 230 CO 0.00 -0.23 -0.13 -0.80 -2.03 0.00 0.00 175.02 171.84 1jen s ASN 231 N -2.15 1.56 0.05 -1.18 0.01 -0.58 -2.36 114.94 110.31 1jen s ASN 231 Ca -0.04 -0.24 0.06 0.00 -0.71 0.00 0.00 52.86 51.92 1jen s ASN 231 Cb -0.00 -0.31 -0.03 0.00 0.41 0.00 0.00 41.25 41.32 1jen s ASN 231 CO -0.04 0.13 -0.16 -0.83 -1.51 0.00 0.00 177.10 174.68 1jen s GLY 232 N -0.07 0.93 -0.10 0.66 0.00 0.58 -1.56 107.32 107.77 1jen s GLY 232 Ca 0.01 -0.96 -0.10 0.00 0.00 0.00 0.00 44.72 43.66 1jen s GLY 232 CO 0.00 -0.94 0.28 1.06 0.00 0.00 0.00 173.10 173.50 1jen s MET 233 N -1.35 0.36 0.22 2.90 -1.94 -0.73 -1.15 119.30 117.61 1jen s MET 233 Ca 0.03 0.33 0.08 0.00 -1.71 0.00 0.00 55.69 54.42 1jen s MET 233 Cb -0.09 0.17 -0.04 0.00 2.01 0.00 0.00 34.83 36.88 1jen s MET 233 CO 0.02 -0.05 0.03 0.15 -0.01 0.00 0.00 175.02 175.16 1jen s LYS 234 N 0.00 2.45 0.53 2.03 1.02 -0.35 -0.89 119.74 124.52 1jen s LYS 234 Ca -0.01 -1.22 0.26 0.00 0.02 0.00 0.00 55.97 55.01 1jen s LYS 234 Cb -0.02 -2.31 1.46 0.00 -0.52 0.00 0.00 37.83 36.43 1jen s LYS 234 CO 0.01 0.41 2.10 0.66 -0.92 0.00 0.00 175.35 177.61 1jen h SER 235 N 2.17 0.00 0.00 2.83 4.64 -1.88 -2.80 113.55 118.51 1jen h SER 235 Ca -0.46 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.86 1jen h SER 235 Cb 1.23 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.32 1jen h SER 235 CO 0.59 0.10 0.00 -0.90 -0.87 0.00 0.00 176.83 175.76 1jen n ASP 236 N -3.81 0.00 0.00 4.97 5.75 -1.26 -4.85 116.55 117.36 1jen n ASP 236 Ca -0.02 -0.87 0.00 0.00 -0.01 0.00 0.00 54.79 53.89 1jen n ASP 236 Cb 0.20 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.29 1jen n ASP 236 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1jen n GLY 237 N 0.55 0.75 3.77 6.12 0.00 -1.06 -5.08 105.19 110.24 1jen n GLY 237 Ca 0.17 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.78 1jen n GLY 237 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1jen s THR 238 N -2.03 2.59 0.09 2.61 2.01 -1.25 -4.88 115.64 114.78 1jen s THR 238 Ca 0.00 0.57 0.02 0.00 0.31 0.00 0.00 61.69 62.60 1jen s THR 238 Cb 0.00 -3.37 -0.04 0.00 0.01 0.00 0.00 72.50 69.11 1jen s THR 238 CO 0.00 0.13 -0.08 -0.72 -0.69 0.00 0.00 174.62 173.26 1jen s TYR 239 N -0.93 0.92 0.01 4.92 -0.85 -1.26 -1.21 117.35 118.94 1jen s TYR 239 Ca 0.51 -0.79 -0.18 0.00 -0.52 0.00 0.00 57.07 56.09 1jen s TYR 239 Cb -0.41 -0.52 0.03 0.00 0.38 0.00 0.00 41.96 41.44 1jen s TYR 239 CO 0.53 -0.09 0.40 1.67 -1.52 0.00 0.00 175.55 176.54 1jen s TRP 240 N -3.03 -0.27 -0.02 -3.49 1.48 -0.30 -2.54 118.94 110.77 1jen s TRP 240 Ca 0.08 0.33 -0.04 0.00 -1.06 0.00 0.00 56.10 55.41 1jen s TRP 240 Cb 0.01 0.18 0.00 0.00 -1.16 0.00 0.00 33.47 32.51 1jen s TRP 240 CO -0.03 -0.50 0.09 0.99 -4.06 0.00 0.00 176.95 173.45 1jen s THR 241 N -1.88 0.04 -0.02 0.66 2.01 -0.01 -0.31 115.64 116.14 1jen s THR 241 Ca -0.09 -0.35 0.01 0.00 0.31 0.00 0.00 61.69 61.57 1jen s THR 241 Cb -0.02 -0.25 0.02 0.00 0.01 0.00 0.00 72.50 72.25 1jen s THR 241 CO 0.02 -0.19 -0.01 -0.63 -0.69 0.00 0.00 174.62 173.12 1jen s ILE 242 N -0.61 0.20 -0.08 1.82 1.01 -0.99 -1.39 121.20 121.16 1jen s ILE 242 Ca -0.07 0.01 0.01 0.00 0.00 0.00 0.00 60.65 60.60 1jen s ILE 242 Cb -0.04 -0.25 0.02 0.00 0.01 0.00 0.00 42.46 42.20 1jen s ILE 242 CO 0.00 0.12 -0.08 -1.00 0.00 0.00 0.00 174.94 173.99 1jen s HIS 243 N 0.63 1.21 -0.14 3.97 3.76 -0.92 -1.26 115.29 122.55 1jen s HIS 243 Ca -0.06 -0.48 0.02 0.00 -0.15 0.00 0.00 55.06 54.38 1jen s HIS 243 Cb -0.09 -1.00 0.00 0.00 1.11 0.00 0.00 32.58 32.60 1jen s HIS 243 CO -0.01 -0.34 -0.20 0.42 -0.85 0.00 0.00 174.74 173.76 1jen s ILE 244 N 1.21 2.25 -0.53 0.60 1.01 0.11 -1.85 121.20 123.99 1jen s ILE 244 Ca -0.05 -0.92 0.03 0.00 0.00 0.00 0.00 60.65 59.70 1jen s ILE 244 Cb -0.14 -1.91 0.13 0.00 0.01 0.00 0.00 42.46 40.56 1jen s ILE 244 CO -0.02 0.54 0.28 -0.89 0.00 0.00 0.00 174.94 174.86 1jen s THR 245 N 0.73 2.81 0.18 2.92 2.01 0.21 -2.16 115.64 122.32 1jen s THR 245 Ca -0.09 -3.19 0.27 0.00 0.31 0.00 0.00 61.69 58.99 1jen s THR 245 Cb -0.16 -2.92 0.28 0.00 0.01 0.00 0.00 72.50 69.71 1jen s THR 245 CO 0.00 -0.80 1.91 1.55 -0.69 0.00 0.00 174.62 176.59 1jen h PRO 246 N 6.67 0.00 -6.34 4.92 0.13 -1.89 0.38 132.00 135.88 1jen h PRO 246 Ca -0.06 0.00 -0.65 0.00 -0.87 0.00 0.00 66.00 64.41 1jen h PRO 246 Cb 0.91 0.00 0.06 0.00 0.13 0.00 0.00 31.00 32.10 1jen h PRO 246 CO 0.68 0.16 0.48 0.39 -0.23 0.00 0.00 178.00 179.48 1jen n GLU 247 N -3.36 1.36 0.20 0.86 4.71 -1.26 -4.66 120.64 118.50 1jen n GLU 247 Ca -0.00 0.49 0.12 0.00 -0.01 0.00 0.00 57.16 57.76 1jen n GLU 247 Cb 0.37 -2.12 0.70 0.00 -1.01 0.00 0.00 31.44 29.38 1jen n GLU 247 CO 0.00 0.00 0.00 -1.00 0.09 0.00 0.00 177.13 176.22 1jen h PRO 248 N 4.50 0.00 0.00 3.49 0.13 -1.97 0.13 132.00 138.28 1jen h PRO 248 Ca -0.46 0.00 -0.04 0.00 -0.87 0.00 0.00 66.00 64.63 1jen h PRO 248 Cb 1.32 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.45 1jen h PRO 248 CO 0.78 0.00 -0.18 0.93 -0.23 0.00 0.00 178.00 179.30 1jen h GLU 249 N 0.00 0.00 -0.21 0.86 3.07 -1.98 -3.33 114.58 112.99 1jen h GLU 249 Ca 0.06 0.00 -0.21 0.00 -0.50 0.00 0.00 59.36 58.72 1jen h GLU 249 Cb 0.27 0.00 -0.26 0.00 -0.84 0.00 0.00 28.75 27.92 1jen h GLU 249 CO -0.00 0.18 -0.65 1.97 -1.40 0.00 0.00 179.01 179.11 1jen n PHE 250 N -3.46 -0.64 -1.67 4.33 1.16 -1.01 -5.12 117.46 111.05 1jen n PHE 250 Ca -0.01 -1.94 -0.43 0.00 -1.87 0.00 0.00 57.45 53.20 1jen n PHE 250 Cb 0.35 0.78 -0.01 0.00 -1.61 0.00 0.00 39.48 38.99 1jen n PHE 250 CO 0.00 0.00 0.00 -1.13 -1.87 0.00 0.00 176.76 173.76 1jen n SER 251 N -1.08 2.41 -3.65 5.98 3.41 0.43 -4.82 113.62 116.31 1jen n SER 251 Ca -0.06 1.19 -0.09 0.00 -0.26 0.00 0.00 58.87 59.64 1jen n SER 251 Cb 0.84 -1.43 -0.08 0.00 -0.26 0.00 0.00 64.21 63.29 1jen n SER 251 CO 0.00 0.00 0.00 -0.47 -0.16 0.00 0.00 175.04 174.41 1jen s TYR 252 N -0.91 -0.92 -0.04 7.33 5.04 0.12 -3.68 117.35 124.30 1jen s TYR 252 Ca 0.58 1.94 0.02 0.00 -2.44 0.00 0.00 57.07 57.17 1jen s TYR 252 Cb -0.62 0.48 0.02 0.00 0.35 0.00 0.00 41.96 42.19 1jen s TYR 252 CO 0.60 -0.46 -0.06 0.08 -1.34 0.00 0.00 175.55 174.37 1jen s VAL 253 N 1.22 0.63 0.00 3.14 1.01 0.11 -0.62 120.40 125.89 1jen s VAL 253 Ca -0.07 -0.21 0.08 0.00 0.00 0.00 0.00 61.98 61.78 1jen s VAL 253 Cb -0.05 -0.61 -0.02 0.00 0.00 0.00 0.00 36.38 35.69 1jen s VAL 253 CO -0.13 0.23 -0.24 -0.94 0.00 0.00 0.00 175.10 174.02 1jen s SER 254 N 0.64 3.27 -0.04 3.32 1.04 -0.77 0.68 113.70 121.84 1jen s SER 254 Ca -0.09 -0.47 0.02 0.00 0.48 0.00 0.00 55.95 55.88 1jen s SER 254 Cb -0.12 -0.41 0.01 0.00 0.10 0.00 0.00 66.02 65.60 1jen s SER 254 CO 0.01 0.30 -0.07 0.12 0.98 0.00 0.00 173.24 174.57 1jen s PHE 255 N -0.72 0.87 -0.01 5.02 5.36 -0.08 -2.17 117.98 126.26 1jen s PHE 255 Ca 0.11 -0.24 -0.02 0.00 -0.96 0.00 0.00 56.93 55.82 1jen s PHE 255 Cb -0.10 -0.69 -0.00 0.00 -0.34 0.00 0.00 43.02 41.89 1jen s PHE 255 CO 0.01 -0.15 0.04 -2.00 -1.46 0.00 0.00 175.22 171.65 1jen s GLU 256 N 0.56 0.14 0.09 10.12 2.12 -0.49 -0.23 118.70 131.01 1jen s GLU 256 Ca -0.08 -0.11 -0.26 0.00 0.36 0.00 0.00 54.97 54.88 1jen s GLU 256 Cb -0.12 0.06 0.07 0.00 0.26 0.00 0.00 34.13 34.40 1jen s GLU 256 CO 0.01 -0.02 0.63 -0.08 -0.54 0.00 0.00 175.26 175.25 1jen s THR 257 N -0.38 0.00 -0.55 -1.70 -1.32 -0.29 -0.83 115.64 110.56 1jen s THR 257 Ca -0.04 0.00 0.13 0.00 -1.21 0.00 0.00 61.69 60.57 1jen s THR 257 Cb -0.03 -1.00 0.41 0.00 -1.51 0.00 0.00 72.50 70.37 1jen s THR 257 CO -0.00 0.00 1.33 -0.46 -2.21 0.00 0.00 174.62 173.28 1jen n ASN 258 N 0.04 3.37 -4.67 8.08 6.94 -1.05 -0.72 115.26 127.24 1jen n ASN 258 Ca -0.18 -2.49 -0.45 0.00 -0.02 0.00 0.00 54.58 51.44 1jen n ASN 258 Cb 0.62 -0.38 -0.03 0.00 -2.36 0.00 0.00 39.78 37.63 1jen n ASN 258 CO 0.00 0.00 0.00 -0.11 -1.03 0.00 0.00 177.26 176.12 1jen n LEU 259 N 0.00 3.07 -4.69 -4.53 7.94 -1.26 -4.65 117.00 112.88 1jen n LEU 259 Ca 0.16 1.12 -0.41 0.00 -1.11 0.00 0.00 56.01 55.76 1jen n LEU 259 Cb 0.65 -1.42 -0.04 0.00 0.53 0.00 0.00 43.42 43.14 1jen n LEU 259 CO 0.11 -0.41 0.63 -0.55 -1.11 0.00 0.00 177.39 176.06 1jen s SER 260 N 0.57 7.12 0.01 1.96 0.15 -1.26 -4.93 113.70 117.32 1jen s SER 260 Ca 0.73 1.37 -0.02 0.00 0.70 0.00 0.00 55.95 58.73 1jen s SER 260 Cb -0.67 -2.50 -0.01 0.00 -1.71 0.00 0.00 66.02 61.13 1jen s SER 260 CO 0.44 -0.33 0.02 -1.10 1.20 0.00 0.00 173.24 173.48 1jen s GLN 261 N 1.61 0.35 0.30 5.44 -1.52 -1.26 -5.03 119.66 119.54 1jen s GLN 261 Ca 0.44 -0.51 0.16 0.00 -1.95 0.00 0.00 55.36 53.49 1jen s GLN 261 Cb -0.18 0.13 0.10 0.00 -0.22 0.00 0.00 33.01 32.84 1jen s GLN 261 CO 0.18 -0.07 1.46 1.79 -0.25 0.00 0.00 175.29 178.40 1jen h THR 262 N 4.56 0.75 -2.83 -0.19 1.35 -1.87 -3.31 112.91 111.36 1jen h THR 262 Ca -0.31 -2.06 -0.14 0.00 -0.55 0.00 0.00 66.41 63.35 1jen h THR 262 Cb 1.20 2.37 -0.26 0.00 -1.73 0.00 0.00 68.15 69.73 1jen h THR 262 CO 0.41 0.43 -0.33 -0.55 -0.25 0.00 0.00 175.52 175.23 1jen s SER 263 N -6.42 -0.40 0.00 5.36 0.15 -1.26 -4.71 113.70 106.42 1jen s SER 263 Ca 0.04 0.73 0.24 0.00 0.70 0.00 0.00 55.95 57.67 1jen s SER 263 Cb 0.07 0.69 0.53 0.00 -1.71 0.00 0.00 66.02 65.60 1jen s SER 263 CO 0.74 -0.15 1.45 -1.22 1.20 0.00 0.00 173.24 175.26 1jen n TYR 264 N 3.49 0.16 -0.32 3.44 4.01 -1.26 -4.46 117.16 122.22 1jen n TYR 264 Ca -0.18 -0.08 -0.00 0.00 -0.16 0.00 0.00 57.90 57.48 1jen n TYR 264 Cb 0.56 0.00 0.13 0.00 -0.31 0.00 0.00 39.34 39.72 1jen n TYR 264 CO 0.00 0.00 0.00 -0.44 -0.46 0.00 0.00 176.86 175.96 1jen h ASP 265 N 3.73 0.90 0.53 7.72 5.19 -1.93 -0.68 116.42 131.87 1jen h ASP 265 Ca 0.00 0.01 -0.03 0.00 -0.62 0.00 0.00 57.03 56.39 1jen h ASP 265 Cb 0.80 -0.19 0.01 0.00 0.18 0.00 0.00 39.33 40.13 1jen h ASP 265 CO 0.00 0.59 -0.25 -0.78 -3.12 0.00 0.00 179.24 175.68 1jen h ASP 266 N 1.04 -0.60 -0.79 6.45 3.58 -1.96 -1.99 116.42 122.15 1jen h ASP 266 Ca 0.37 -0.05 0.06 0.00 0.42 0.00 0.00 57.03 57.83 1jen h ASP 266 Cb 0.09 0.16 -0.06 0.00 1.72 0.00 0.00 39.33 41.24 1jen h ASP 266 CO -0.15 -0.30 0.47 0.25 -2.88 0.00 0.00 179.24 176.64 1jen h LEU 267 N -0.91 0.73 -0.79 2.28 5.85 -1.81 -1.17 115.31 119.49 1jen h LEU 267 Ca -0.07 0.02 -0.03 0.00 0.84 0.00 0.00 57.88 58.64 1jen h LEU 267 Cb 0.62 -0.13 -0.04 0.00 0.37 0.00 0.00 40.66 41.48 1jen h LEU 267 CO 0.12 0.47 0.38 0.40 -0.34 0.00 0.00 178.44 179.46 1jen h ILE 268 N 0.86 1.25 -0.59 4.05 2.04 -1.12 -1.63 117.51 122.37 1jen h ILE 268 Ca 0.35 -0.71 -0.04 0.00 1.00 0.00 0.00 64.86 65.46 1jen h ILE 268 Cb 0.18 0.25 -0.03 0.00 -0.74 0.00 0.00 36.82 36.49 1jen h ILE 268 CO -0.18 0.30 0.23 -0.09 0.00 0.00 0.00 178.15 178.41 1jen h ARG 269 N 1.12 0.89 -0.44 2.37 2.43 -0.69 -1.31 114.38 118.75 1jen h ARG 269 Ca 0.27 -0.17 -0.02 0.00 -0.81 0.00 0.00 59.98 59.26 1jen h ARG 269 Cb 0.13 -0.14 -0.02 0.00 -0.42 0.00 0.00 29.97 29.51 1jen h ARG 269 CO -0.03 0.77 0.21 0.87 -1.51 0.00 0.00 179.97 180.28 1jen h LYS 270 N 0.82 0.64 -0.31 0.20 1.57 -0.88 -0.79 116.57 117.82 1jen h LYS 270 Ca 0.20 -0.09 -0.04 0.00 -1.87 0.00 0.00 60.65 58.84 1jen h LYS 270 Cb 0.22 -0.12 -0.01 0.00 0.08 0.00 0.00 32.23 32.40 1jen h LYS 270 CO -0.01 0.54 0.04 0.28 -0.57 0.00 0.00 179.45 179.73 1jen h VAL 271 N 0.57 1.24 -0.19 0.50 2.07 -1.15 -2.28 116.25 117.01 1jen h VAL 271 Ca 0.15 -0.85 -0.07 0.00 0.82 0.00 0.00 66.70 66.75 1jen h VAL 271 Cb 0.12 1.19 -0.01 0.00 -1.52 0.00 0.00 31.29 31.06 1jen h VAL 271 CO -0.02 0.28 -0.19 0.58 0.02 0.00 0.00 177.57 178.24 1jen h VAL 272 N 0.34 1.23 0.00 2.57 2.07 -1.17 -2.20 116.25 119.08 1jen h VAL 272 Ca 0.09 -1.04 -0.10 0.00 0.82 0.00 0.00 66.70 66.47 1jen h VAL 272 Cb 0.37 1.29 -0.01 0.00 -1.52 0.00 0.00 31.29 31.42 1jen h VAL 272 CO 0.01 0.32 -0.50 -0.08 0.02 0.00 0.00 177.57 177.34 1jen h GLU 273 N 0.31 0.00 -0.06 1.57 4.81 -1.01 0.15 114.58 120.35 1jen h GLU 273 Ca 0.05 0.00 -0.21 0.00 -0.13 0.00 0.00 59.36 59.08 1jen h GLU 273 Cb 0.52 0.00 0.01 0.00 0.63 0.00 0.00 28.75 29.91 1jen h GLU 273 CO 0.03 0.50 -0.78 0.28 -0.73 0.00 0.00 179.01 178.32 1jen h VAL 274 N 0.00 1.32 0.00 0.32 2.07 -0.84 -3.37 116.25 115.76 1jen h VAL 274 Ca -0.00 -2.06 0.00 0.00 0.82 0.00 0.00 66.70 65.46 1jen h VAL 274 Cb 0.97 2.28 0.00 0.00 -1.52 0.00 0.00 31.29 33.02 1jen h VAL 274 CO 0.06 0.63 -1.66 0.49 0.02 0.00 0.00 177.57 177.12 1jen n PHE 275 N -4.03 0.00 -3.65 1.57 3.72 -0.88 -5.02 117.46 109.17 1jen n PHE 275 Ca -0.09 0.00 -0.26 0.00 -0.05 0.00 0.00 57.45 57.05 1jen n PHE 275 Cb 0.75 -0.33 0.02 0.00 -0.94 0.00 0.00 39.48 38.98 1jen n PHE 275 CO 0.00 0.00 0.00 1.63 -0.05 0.00 0.00 176.76 178.34 1jen n LYS 276 N -2.00 -1.21 -2.38 -1.08 5.02 0.53 -3.91 118.16 113.13 1jen n LYS 276 Ca -0.01 0.68 -0.32 0.00 -2.02 0.00 0.00 58.31 56.63 1jen n LYS 276 Cb 0.49 -3.66 -0.03 0.00 -0.02 0.00 0.00 35.03 31.80 1jen n LYS 276 CO 0.00 0.00 0.00 -1.25 -0.52 0.00 0.00 177.40 175.63 1jen s PRO 277 N -5.33 3.84 0.24 1.97 0.04 -1.26 -1.62 135.00 132.88 1jen s PRO 277 Ca 0.26 1.05 0.17 0.00 0.04 0.00 0.00 61.00 62.52 1jen s PRO 277 Cb -0.10 -2.12 0.04 0.00 0.04 0.00 0.00 34.50 32.36 1jen s PRO 277 CO 0.87 -0.37 1.27 0.78 0.04 0.00 0.00 177.00 179.59 1jen h GLY 278 N 0.97 0.00 -3.73 0.56 0.00 -0.00 -3.43 103.07 97.43 1jen h GLY 278 Ca -0.47 0.00 0.01 0.00 0.00 0.00 0.00 47.33 46.87 1jen h GLY 278 CO 0.60 0.00 0.34 -1.59 0.00 0.00 0.00 176.54 175.89 1jen s LYS 279 N -3.02 0.96 0.07 4.80 -2.85 -1.14 -0.98 119.74 117.58 1jen s LYS 279 Ca 0.02 -0.05 -0.26 0.00 -1.00 0.00 0.00 55.97 54.68 1jen s LYS 279 Cb 0.08 0.45 0.09 0.00 -2.06 0.00 0.00 37.83 36.38 1jen s LYS 279 CO 0.76 -0.36 0.78 -0.59 0.10 0.00 0.00 175.35 176.04 1jen s PHE 280 N -2.16 -0.41 0.14 1.78 -0.71 -0.95 -1.30 117.98 114.37 1jen s PHE 280 Ca -0.03 0.23 0.08 0.00 -1.04 0.00 0.00 56.93 56.17 1jen s PHE 280 Cb -0.01 0.55 -0.04 0.00 -1.21 0.00 0.00 43.02 42.32 1jen s PHE 280 CO -0.01 -0.68 -0.17 0.14 -1.34 0.00 0.00 175.22 173.15 1jen s VAL 281 N -3.38 1.62 0.08 -2.49 -7.23 -0.73 -0.52 120.40 107.75 1jen s VAL 281 Ca 0.04 -1.77 0.07 0.00 -1.81 0.00 0.00 61.98 58.50 1jen s VAL 281 Cb -0.01 -1.67 -0.03 0.00 0.56 0.00 0.00 36.38 35.22 1jen s VAL 281 CO -0.10 -0.30 -0.18 0.42 -0.31 0.00 0.00 175.10 174.63 1jen s THR 282 N -1.91 1.45 -0.00 5.32 -4.23 -0.10 -0.81 115.64 115.36 1jen s THR 282 Ca 0.11 -1.38 0.04 0.00 -1.18 0.00 0.00 61.69 59.28 1jen s THR 282 Cb -0.06 -1.33 -0.01 0.00 1.34 0.00 0.00 72.50 72.43 1jen s THR 282 CO 0.05 -0.09 -0.13 0.42 -0.54 0.00 0.00 174.62 174.34 1jen s THR 283 N -1.14 1.01 -0.09 3.99 -4.23 -0.57 -1.59 115.64 113.02 1jen s THR 283 Ca 0.03 -0.63 -0.04 0.00 -1.18 0.00 0.00 61.69 59.88 1jen s THR 283 Cb -0.10 -0.86 0.05 0.00 1.34 0.00 0.00 72.50 72.94 1jen s THR 283 CO 0.03 0.22 0.18 -0.22 -0.54 0.00 0.00 174.62 174.29 1jen s LEU 284 N -0.46 0.03 -0.09 4.79 2.96 -0.38 -1.48 118.68 124.05 1jen s LEU 284 Ca 0.04 0.39 -0.01 0.00 -0.22 0.00 0.00 54.13 54.33 1jen s LEU 284 Cb -0.05 0.39 -0.03 0.00 0.50 0.00 0.00 46.19 47.00 1jen s LEU 284 CO -0.00 -0.22 -0.06 -0.36 -1.32 0.00 0.00 176.35 174.39 1jen s PHE 285 N 2.09 2.97 -0.11 5.38 0.40 -0.53 -1.17 117.98 127.01 1jen s PHE 285 Ca 0.00 -0.08 -0.05 0.00 -0.60 0.00 0.00 56.93 56.21 1jen s PHE 285 Cb -0.12 -1.79 0.05 0.00 0.51 0.00 0.00 43.02 41.68 1jen s PHE 285 CO -0.06 0.23 0.23 0.08 0.70 0.00 0.00 175.22 176.40 1jen s VAL 286 N -0.47 -0.24 0.74 -0.44 1.01 -0.68 -1.25 120.40 119.08 1jen s VAL 286 Ca 0.07 0.24 -0.05 0.00 0.00 0.00 0.00 61.98 62.24 1jen s VAL 286 Cb -0.12 -0.39 0.16 0.00 0.00 0.00 0.00 36.38 36.03 1jen s VAL 286 CO 0.02 0.10 1.01 -0.46 0.00 0.00 0.00 175.10 175.77 1jen n ASN 287 N 4.88 0.88 0.23 3.32 0.23 -0.74 -0.77 115.26 123.29 1jen n ASN 287 Ca -0.14 -1.85 0.09 0.00 -0.53 0.00 0.00 54.58 52.15 1jen n ASN 287 Cb 0.51 -0.70 0.54 0.00 -2.08 0.00 0.00 39.78 38.05 1jen n ASN 287 CO 0.00 0.00 0.00 1.56 -0.93 0.00 0.00 177.26 177.89 1jen h GLN 288 N 0.00 0.00 0.00 -3.83 1.08 -1.90 -3.01 115.11 107.45 1jen h GLN 288 Ca -0.33 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 56.87 1jen h GLN 288 Cb 1.11 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.54 1jen h GLN 288 CO 0.31 0.22 -0.68 0.77 -0.95 0.00 0.00 178.83 178.51 1jen h SER 289 N 0.00 0.00 -3.66 1.46 0.02 -1.92 -3.48 113.55 105.97 1jen h SER 289 Ca -0.00 -0.21 -0.56 0.00 -0.84 0.00 0.00 61.79 60.18 1jen h SER 289 Cb 0.57 0.00 0.14 0.00 0.14 0.00 0.00 62.40 63.26 1jen h SER 289 CO 0.03 0.10 0.37 -0.24 -1.14 0.00 0.00 176.83 175.95 1jen n SER 290 N -2.16 1.84 -0.35 3.07 2.88 -1.14 -4.51 113.62 113.26 1jen n SER 290 Ca 0.03 0.95 0.01 0.00 -1.33 0.00 0.00 58.87 58.53 1jen n SER 290 Cb 0.45 -1.47 0.05 0.00 -0.75 0.00 0.00 64.21 62.48 1jen n SER 290 CO 0.00 0.00 0.00 0.29 -1.23 0.00 0.00 175.04 174.10 1jen n LYS 291 N -0.68 1.32 -0.18 -1.46 4.76 -1.26 -4.98 118.16 115.68 1jen n LYS 291 Ca 0.11 -0.37 0.00 0.00 -2.87 0.00 0.00 58.31 55.18 1jen n LYS 291 Cb 0.44 -1.25 0.00 0.00 -1.84 0.00 0.00 35.03 32.38 1jen n LYS 291 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1jen n PRO 299 N -0.27 0.67 0.00 0.00 -0.02 -1.26 -4.76 135.00 129.37 1jen n PRO 299 Ca 0.00 0.27 0.00 0.00 -2.02 0.00 0.00 63.50 61.75 1jen n PRO 299 Cb 0.00 -1.62 0.00 0.00 -0.02 0.00 0.00 33.50 31.86 1jen n PRO 299 CO 0.00 0.00 0.00 1.04 1.98 0.00 0.00 175.50 178.52 1jen n GLN 300 N -3.64 0.00 -4.73 -0.52 1.13 -1.26 -4.58 117.38 103.77 1jen n GLN 300 Ca -0.40 0.00 -0.24 0.00 -1.94 0.00 0.00 57.00 54.42 1jen n GLN 300 Cb 0.96 0.00 -0.15 0.00 0.11 0.00 0.00 30.24 31.16 1jen n GLN 300 CO 0.00 0.00 0.00 -1.59 -1.44 0.00 0.00 177.06 174.03 1jen s LYS 301 N 0.00 1.31 -0.08 -1.09 0.00 -1.26 -4.86 119.74 113.76 1jen s LYS 301 Ca 0.00 -0.63 -0.01 0.00 0.00 0.00 0.00 55.97 55.33 1jen s LYS 301 Cb 0.00 -1.28 0.03 0.00 0.00 0.00 0.00 37.83 36.58 1jen s LYS 301 CO 0.00 0.35 -0.03 0.42 0.00 0.00 0.00 175.35 176.09 1jen s ILE 302 N -0.46 0.56 0.03 3.79 -1.09 -1.26 -4.97 121.20 117.80 1jen s ILE 302 Ca 0.06 -0.02 -0.37 0.00 -2.23 0.00 0.00 60.65 58.09 1jen s ILE 302 Cb -0.07 -0.66 -0.16 0.00 -1.58 0.00 0.00 42.46 40.00 1jen s ILE 302 CO -0.00 0.28 1.46 1.21 -1.23 0.00 0.00 174.94 176.66 1jen n GLU 303 N 4.88 1.36 -0.32 2.79 2.13 -1.26 -1.46 120.64 128.76 1jen n GLU 303 Ca -0.12 0.49 0.00 0.00 0.66 0.00 0.00 57.16 58.19 1jen n GLU 303 Cb 0.50 -2.17 0.00 0.00 0.27 0.00 0.00 31.44 30.04 1jen n GLU 303 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1jen n GLY 304 N 3.00 1.39 3.33 8.31 0.00 -1.26 -5.03 105.19 114.94 1jen n GLY 304 Ca 0.20 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.95 1jen n GLY 304 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1jen s PHE 305 N -2.96 2.03 -0.18 1.61 0.40 -0.53 -0.57 117.98 117.78 1jen s PHE 305 Ca 0.00 -0.40 -0.07 0.00 -0.60 0.00 0.00 56.93 55.86 1jen s PHE 305 Cb 0.00 -1.11 -0.04 0.00 0.51 0.00 0.00 43.02 42.38 1jen s PHE 305 CO 0.00 0.26 0.06 0.21 0.70 0.00 0.00 175.22 176.45 1jen s LYS 306 N -1.94 3.95 -0.35 0.44 2.20 0.39 -4.62 119.74 119.80 1jen s LYS 306 Ca 0.10 -0.35 -0.29 0.00 -0.36 0.00 0.00 55.97 55.07 1jen s LYS 306 Cb -0.10 -3.20 0.01 0.00 -1.51 0.00 0.00 37.83 33.03 1jen s LYS 306 CO 0.05 0.29 1.26 0.50 -0.36 0.00 0.00 175.35 177.09 1jen s ARG 307 N 0.32 3.86 -0.03 4.03 3.52 -1.26 -1.83 118.95 127.56 1jen s ARG 307 Ca 0.03 1.06 -0.13 0.00 -0.13 0.00 0.00 55.73 56.56 1jen s ARG 307 Cb -0.12 -3.88 -0.32 0.00 -1.56 0.00 0.00 34.95 29.06 1jen s ARG 307 CO 0.00 -1.20 0.76 -0.07 -0.81 0.00 0.00 175.30 173.99 1jen h LEU 308 N 11.01 0.68 -7.68 -0.88 3.38 0.13 -3.49 115.31 118.45 1jen h LEU 308 Ca -0.25 -0.93 -0.10 0.00 0.09 0.00 0.00 57.88 56.69 1jen h LEU 308 Cb 1.09 -0.22 -0.17 0.00 0.09 0.00 0.00 40.66 41.45 1jen h LEU 308 CO 1.06 1.76 -0.34 -1.81 0.09 0.00 0.00 178.44 179.19 1jen s ASP 309 N -7.37 -0.02 -0.25 -0.43 1.01 -1.12 -4.97 116.67 103.53 1jen s ASP 309 Ca -0.14 -0.33 -0.04 0.00 0.71 0.00 0.00 52.55 52.75 1jen s ASP 309 Cb 0.05 0.32 0.13 0.00 1.01 0.00 0.00 42.92 44.43 1jen s ASP 309 CO 0.88 -0.59 0.45 0.00 0.21 0.00 0.00 175.17 176.12 1jen s GLN 311 N 2.65 1.26 0.19 0.00 -0.21 0.23 -4.99 119.66 118.79 1jen s GLN 311 Ca 0.10 -0.38 0.09 0.00 0.02 0.00 0.00 55.36 55.18 1jen s GLN 311 Cb -0.14 -1.13 -0.04 0.00 1.00 0.00 0.00 33.01 32.70 1jen s GLN 311 CO -0.16 0.12 -0.09 -1.12 -2.12 0.00 0.00 175.29 171.92 1jen s SER 312 N 0.27 4.27 0.05 5.90 0.01 -1.26 0.56 113.70 123.50 1jen s SER 312 Ca -0.05 -0.59 -0.12 0.00 1.31 0.00 0.00 55.95 56.50 1jen s SER 312 Cb -0.11 -0.73 0.01 0.00 0.21 0.00 0.00 66.02 65.41 1jen s SER 312 CO 0.01 0.09 0.27 0.00 0.41 0.00 0.00 173.24 174.03 1jen s ALA 313 N -1.77 -0.56 -0.21 1.44 0.00 -0.16 -4.98 121.76 115.52 1jen s ALA 313 Ca 0.26 -0.13 0.02 0.00 0.00 0.00 0.00 51.96 52.10 1jen s ALA 313 Cb -0.09 0.34 0.04 0.00 0.00 0.00 0.00 23.12 23.41 1jen s ALA 313 CO 0.16 -0.42 -0.16 -1.64 0.00 0.00 0.00 175.76 173.70 1jen s MET 314 N -2.73 2.64 0.00 0.00 -1.94 -1.26 -0.50 119.30 115.50 1jen s MET 314 Ca -0.04 -1.03 0.00 0.00 -1.71 0.00 0.00 55.69 52.91 1jen s MET 314 Cb -0.00 -2.68 0.00 0.00 2.01 0.00 0.00 34.83 34.15 1jen s MET 314 CO -0.05 -0.36 0.00 1.19 -0.01 0.00 0.00 175.02 175.79 1jen n PHE 315 N 4.55 -2.20 -0.01 -0.03 3.72 0.37 -5.03 117.46 118.83 1jen n PHE 315 Ca -0.18 0.00 -0.04 0.00 -0.05 0.00 0.00 57.45 57.19 1jen n PHE 315 Cb 0.47 0.00 -0.02 0.00 -0.94 0.00 0.00 39.48 38.98 1jen n PHE 315 CO 0.00 0.00 0.00 -0.91 -0.05 0.00 0.00 176.76 175.80 1jen h ASN 316 N 0.00 -0.42 0.00 4.37 -0.26 -1.95 -3.36 115.58 113.96 1jen h ASN 316 Ca 0.00 0.05 -0.30 0.00 -0.56 0.00 0.00 56.30 55.50 1jen h ASN 316 Cb 0.00 0.17 -0.06 0.00 -1.06 0.00 0.00 38.32 37.37 1jen h ASN 316 CO 0.00 -0.11 -2.12 0.47 -1.06 0.00 0.00 177.43 174.62 1jen n ASP 317 N -3.28 1.08 -4.89 5.81 8.00 -1.26 -5.02 116.55 116.98 1jen n ASP 317 Ca -0.01 -0.01 -0.33 0.00 0.71 0.00 0.00 54.79 55.15 1jen n ASP 317 Cb 0.09 0.83 -0.05 0.00 -0.02 0.00 0.00 41.12 41.97 1jen n ASP 317 CO 0.00 0.00 0.00 -0.31 -0.39 0.00 0.00 177.20 176.50 1jen s TYR 318 N -2.39 3.50 0.17 1.24 1.51 -1.26 -3.85 117.35 116.27 1jen s TYR 318 Ca -0.09 0.31 -0.02 0.00 -1.01 0.00 0.00 57.07 56.26 1jen s TYR 318 Cb 0.05 -1.80 -0.05 0.00 -0.11 0.00 0.00 41.96 40.05 1jen s TYR 318 CO 0.65 0.62 0.37 -0.80 -1.11 0.00 0.00 175.55 175.29 1jen s ASN 319 N -2.00 6.42 0.00 2.29 0.01 0.05 -0.48 114.94 121.23 1jen s ASN 319 Ca 0.28 0.45 -0.03 0.00 -0.71 0.00 0.00 52.86 52.85 1jen s ASN 319 Cb -0.13 -2.03 -0.01 0.00 0.41 0.00 0.00 41.25 39.50 1jen s ASN 319 CO 0.19 0.01 0.04 0.12 -1.51 0.00 0.00 177.10 175.96 1jen s PHE 320 N -1.77 0.12 -0.02 2.20 2.19 0.34 -1.68 117.98 119.36 1jen s PHE 320 Ca 0.39 -0.25 0.00 0.00 0.33 0.00 0.00 56.93 57.40 1jen s PHE 320 Cb -0.12 -0.10 0.03 0.00 -1.31 0.00 0.00 43.02 41.52 1jen s PHE 320 CO 0.28 -0.19 0.01 0.08 1.83 0.00 0.00 175.22 177.23 1jen s VAL 321 N -1.12 0.09 -0.09 3.12 1.01 -0.32 -0.99 120.40 122.11 1jen s VAL 321 Ca -0.12 0.12 0.02 0.00 0.00 0.00 0.00 61.98 62.00 1jen s VAL 321 Cb -0.07 -0.19 -0.02 0.00 0.00 0.00 0.00 36.38 36.10 1jen s VAL 321 CO 0.00 0.12 -0.17 0.12 0.00 0.00 0.00 175.10 175.17 1jen s PHE 322 N 0.96 2.69 -0.00 5.22 5.36 0.19 -1.24 117.98 131.16 1jen s PHE 322 Ca -0.09 -0.54 0.02 0.00 -0.96 0.00 0.00 56.93 55.35 1jen s PHE 322 Cb -0.13 -1.72 -0.00 0.00 -0.34 0.00 0.00 43.02 40.83 1jen s PHE 322 CO -0.02 -0.11 -0.05 0.99 -1.46 0.00 0.00 175.22 174.57 1jen s THR 323 N -0.07 0.40 -0.11 0.12 2.01 -0.62 -0.60 115.64 116.76 1jen s THR 323 Ca -0.04 -0.25 0.03 0.00 0.31 0.00 0.00 61.69 61.75 1jen s THR 323 Cb -0.14 -0.35 0.00 0.00 0.01 0.00 0.00 72.50 72.03 1jen s THR 323 CO 0.04 0.09 -0.23 -0.55 -0.69 0.00 0.00 174.62 173.28 1jen s SER 324 N -0.18 3.06 0.20 3.53 0.15 0.21 -0.92 113.70 119.75 1jen s SER 324 Ca 0.01 -0.57 0.08 0.00 0.70 0.00 0.00 55.95 56.18 1jen s SER 324 Cb -0.02 -1.41 -0.05 0.00 -1.71 0.00 0.00 66.02 62.84 1jen s SER 324 CO -0.00 0.13 -0.16 -0.36 1.20 0.00 0.00 173.24 174.05 1jen s PHE 325 N 0.53 1.79 -0.10 3.44 0.40 0.32 0.87 117.98 125.23 1jen s PHE 325 Ca -0.14 -0.52 -0.09 0.00 -0.60 0.00 0.00 56.93 55.57 1jen s PHE 325 Cb -0.17 -0.84 0.03 0.00 0.51 0.00 0.00 43.02 42.55 1jen s PHE 325 CO 0.05 0.39 0.27 0.00 0.70 0.00 0.00 175.22 176.63 1jen s ALA 326 N -2.68 -0.67 0.27 5.36 0.00 -0.76 -2.25 121.76 121.03 1jen s ALA 326 Ca 0.21 0.79 -0.30 0.00 0.00 0.00 0.00 51.96 52.65 1jen s ALA 326 Cb -0.02 -0.46 -0.12 0.00 0.00 0.00 0.00 23.12 22.52 1jen s ALA 326 CO 0.08 -0.13 1.64 1.17 0.00 0.00 0.00 175.76 178.51 1jen n LYS 327 N 2.99 2.76 0.00 0.00 4.81 -0.15 -0.46 118.16 128.10 1jen n LYS 327 Ca -0.13 0.98 0.05 0.00 -0.87 0.00 0.00 58.31 58.35 1jen n LYS 327 Cb 0.58 -2.79 0.32 0.00 0.02 0.00 0.00 35.03 33.16 1jen n LYS 327 CO 0.00 0.00 0.00 1.63 1.17 0.00 0.00 177.40 180.20