#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ddm h GLN 68 N 0.00 -0.58 0.00 1.57 4.20 -2.04 -2.28 115.11 115.98 1ddm h GLN 68 Ca 0.00 0.04 -0.05 0.00 0.06 0.00 0.00 58.65 58.70 1ddm h GLN 68 Cb 0.00 0.13 -0.01 0.00 0.30 0.00 0.00 27.48 27.90 1ddm h GLN 68 CO 0.00 -0.37 -0.24 -1.49 -0.67 0.00 0.00 178.83 176.05 1ddm h TRP 69 N -0.63 0.00 0.00 2.96 4.06 -1.99 -0.78 115.95 119.58 1ddm h TRP 69 Ca -0.06 0.00 0.00 0.00 2.06 0.00 0.00 58.89 60.89 1ddm h TRP 69 Cb 0.48 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 28.64 1ddm h TRP 69 CO -0.04 0.24 0.00 1.04 -3.56 0.00 0.00 178.44 176.12 1ddm n GLN 70 N -3.39 0.05 -0.01 0.49 6.02 -1.02 -1.40 117.38 118.11 1ddm n GLN 70 Ca 0.00 0.26 0.02 0.00 -0.01 0.00 0.00 57.00 57.27 1ddm n GLN 70 Cb 0.45 -1.58 -0.04 0.00 1.02 0.00 0.00 30.24 30.08 1ddm n GLN 70 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1ddm n ALA 71 N -1.56 2.13 0.25 -1.58 0.00 -0.88 -4.57 120.51 114.30 1ddm n ALA 71 Ca 0.04 -0.18 0.12 0.00 0.00 0.00 0.00 53.44 53.42 1ddm n ALA 71 Cb 0.20 -0.12 0.12 0.00 0.00 0.00 0.00 19.45 19.66 1ddm n ALA 71 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 1ddm h ASP 72 N 0.00 0.00 -0.54 0.00 5.19 -0.95 -2.82 116.42 117.31 1ddm h ASP 72 Ca -0.03 -0.03 -0.01 0.00 -0.62 0.00 0.00 57.03 56.34 1ddm h ASP 72 Cb 0.49 0.00 -0.03 0.00 0.18 0.00 0.00 39.33 39.97 1ddm h ASP 72 CO 0.00 0.01 0.28 -0.33 -3.12 0.00 0.00 179.24 176.09 1ddm h GLU 73 N 0.00 0.76 -0.01 3.56 4.39 -1.48 -2.77 114.58 119.03 1ddm h GLU 73 Ca 0.00 -0.09 0.00 0.00 0.34 0.00 0.00 59.36 59.61 1ddm h GLU 73 Cb 0.95 -0.14 0.00 0.00 -0.10 0.00 0.00 28.75 29.45 1ddm h GLU 73 CO 0.00 0.60 -0.52 0.39 -1.16 0.00 0.00 179.01 178.31 1ddm n GLU 74 N -4.61 0.88 0.26 2.33 1.02 -1.25 -4.35 120.64 114.92 1ddm n GLU 74 Ca 0.03 -0.69 -0.15 0.00 -0.02 0.00 0.00 57.16 56.33 1ddm n GLU 74 Cb 0.09 -1.49 -0.08 0.00 -0.02 0.00 0.00 31.44 29.95 1ddm n GLU 74 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1ddm h ALA 75 N 3.66 -0.66 -0.57 0.62 0.00 -1.21 -2.10 119.26 119.00 1ddm h ALA 75 Ca 0.00 -0.18 -0.02 0.00 0.00 0.00 0.00 54.91 54.71 1ddm h ALA 75 Cb 0.65 0.25 -0.03 0.00 0.00 0.00 0.00 17.79 18.67 1ddm h ALA 75 CO 0.00 -0.77 0.29 0.28 0.00 0.00 0.00 179.25 179.04 1ddm h VAL 76 N -0.85 1.18 0.00 0.00 2.07 -1.71 -0.96 116.25 115.98 1ddm h VAL 76 Ca -0.07 -0.50 -0.02 0.00 0.82 0.00 0.00 66.70 66.93 1ddm h VAL 76 Cb 0.58 0.44 -0.00 0.00 -1.52 0.00 0.00 31.29 30.79 1ddm h VAL 76 CO 0.11 0.21 -0.09 0.03 0.02 0.00 0.00 177.57 177.86 1ddm h ARG 77 N 0.80 0.00 0.00 1.57 3.08 -1.73 -0.44 114.38 117.65 1ddm h ARG 77 Ca 0.20 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.25 1ddm h ARG 77 Cb 0.06 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.11 1ddm h ARG 77 CO -0.03 0.09 0.00 0.43 -1.07 0.00 0.00 179.97 179.39 1ddm n SER 78 N -4.23 0.00 -1.07 7.04 7.64 -0.41 -4.79 113.62 117.80 1ddm n SER 78 Ca -0.03 0.00 -0.01 0.00 1.01 0.00 0.00 58.87 59.84 1ddm n SER 78 Cb 0.17 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.37 1ddm n SER 78 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1ddm n ALA 79 N -3.00 -0.67 -3.05 -0.43 0.00 -0.93 -4.61 120.51 107.82 1ddm n ALA 79 Ca 0.00 -0.17 0.04 0.00 0.00 0.00 0.00 53.44 53.32 1ddm n ALA 79 Cb 0.00 -0.39 0.00 0.00 0.00 0.00 0.00 19.45 19.06 1ddm n ALA 79 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 177.50 177.42 1ddm s THR 80 N 0.01 -0.28 0.00 0.00 -1.32 -1.09 -4.55 115.64 108.42 1ddm s THR 80 Ca 0.01 0.00 0.00 0.00 -1.21 0.00 0.00 61.69 60.49 1ddm s THR 80 Cb 0.04 -0.20 0.00 0.00 -1.51 0.00 0.00 72.50 70.83 1ddm s THR 80 CO -0.01 0.00 0.73 0.00 -2.21 0.00 0.00 174.62 173.13 1ddm n SER 82 N -0.26 0.44 -0.94 0.00 7.64 -1.22 -4.65 113.62 114.63 1ddm n SER 82 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.88 1ddm n SER 82 Cb 0.19 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.39 1ddm n SER 82 CO 0.00 0.00 0.00 0.49 -3.01 0.00 0.00 175.04 172.52 1ddm n PHE 83 N 0.00 -0.68 -1.59 1.43 3.72 -0.99 -4.86 117.46 114.49 1ddm n PHE 83 Ca 0.00 0.00 -0.46 0.00 -0.05 0.00 0.00 57.45 56.94 1ddm n PHE 83 Cb 0.00 0.00 -0.03 0.00 -0.94 0.00 0.00 39.48 38.51 1ddm n PHE 83 CO 0.00 0.00 0.00 0.43 -0.05 0.00 0.00 176.76 177.14 1ddm n SER 84 N -1.45 1.38 -3.87 4.37 7.64 -1.26 -1.05 113.62 119.38 1ddm n SER 84 Ca 0.00 1.16 -0.25 0.00 1.01 0.00 0.00 58.87 60.79 1ddm n SER 84 Cb 0.00 -1.27 -0.08 0.00 -1.01 0.00 0.00 64.21 61.85 1ddm n SER 84 CO 0.00 0.00 0.00 0.68 -3.01 0.00 0.00 175.04 172.71 1ddm s VAL 85 N -0.67 0.39 -0.47 0.44 -7.23 -0.78 -1.81 120.40 110.28 1ddm s VAL 85 Ca 0.65 -2.00 0.08 0.00 -1.81 0.00 0.00 61.98 58.90 1ddm s VAL 85 Cb -0.75 -2.33 0.28 0.00 0.56 0.00 0.00 36.38 34.14 1ddm s VAL 85 CO 0.56 0.00 0.67 1.17 -0.31 0.00 0.00 175.10 177.19 1ddm n LYS 86 N -0.88 1.49 -1.55 4.82 3.00 0.35 -2.91 118.16 122.48 1ddm n LYS 86 Ca -0.03 -3.79 -0.38 0.00 -0.00 0.00 0.00 58.31 54.11 1ddm n LYS 86 Cb 0.64 -1.69 -0.04 0.00 0.00 0.00 0.00 35.03 33.94 1ddm n LYS 86 CO 0.00 0.00 0.00 0.98 0.00 0.00 0.00 177.40 178.38 1ddm n TYR 87 N 0.83 1.44 -0.06 5.64 9.36 -1.03 -3.39 117.16 129.94 1ddm n TYR 87 Ca 0.25 0.11 -0.10 0.00 3.32 0.00 0.00 57.90 61.48 1ddm n TYR 87 Cb 0.51 -2.63 0.04 0.00 -0.63 0.00 0.00 39.34 36.63 1ddm n TYR 87 CO 0.00 0.00 0.00 -0.07 0.22 0.00 0.00 176.86 177.01 1ddm h LEU 88 N 18.38 0.80 0.00 2.98 3.38 -1.71 -0.95 115.31 138.19 1ddm h LEU 88 Ca -0.25 -0.37 0.00 0.00 0.09 0.00 0.00 57.88 57.35 1ddm h LEU 88 Cb 1.27 -0.23 0.00 0.00 0.09 0.00 0.00 40.66 41.80 1ddm h LEU 88 CO 1.15 1.11 0.00 0.61 0.09 0.00 0.00 178.44 181.40 1ddm n GLY 89 N 0.09 0.19 3.17 0.83 0.00 -1.25 -3.27 105.19 104.95 1ddm n GLY 89 Ca -0.02 -0.75 -0.12 0.00 0.00 0.00 0.00 46.02 45.12 1ddm n GLY 89 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ddm s VAL 91 N 0.51 1.02 0.01 0.00 -7.23 -0.72 -5.00 120.40 108.99 1ddm s VAL 91 Ca -0.03 -2.03 -0.09 0.00 -1.81 0.00 0.00 61.98 58.03 1ddm s VAL 91 Cb -0.04 -2.48 -0.05 0.00 0.56 0.00 0.00 36.38 34.36 1ddm s VAL 91 CO -0.03 -0.21 0.31 -1.83 -0.31 0.00 0.00 175.10 173.03 1ddm s GLU 92 N -3.89 3.66 0.08 4.82 -1.05 -1.26 -0.49 118.70 120.56 1ddm s GLU 92 Ca 0.31 0.05 0.01 0.00 -0.15 0.00 0.00 54.97 55.19 1ddm s GLU 92 Cb 0.07 -3.09 -0.00 0.00 -0.44 0.00 0.00 34.13 30.66 1ddm s GLU 92 CO 0.11 0.65 0.02 1.33 0.95 0.00 0.00 175.26 178.32 1ddm n VAL 93 N 1.27 0.00 -2.98 1.83 0.24 -0.83 -4.87 118.33 112.99 1ddm n VAL 93 Ca -0.12 -0.43 -0.15 0.00 -2.04 0.00 0.00 64.34 61.61 1ddm n VAL 93 Cb 0.53 0.13 0.01 0.00 -1.47 0.00 0.00 33.84 33.05 1ddm n VAL 93 CO 0.00 0.00 0.00 0.33 -2.14 0.00 0.00 176.83 175.02 1ddm n PHE 94 N -0.18 -1.42 0.02 6.34 -0.00 -1.26 -4.66 117.46 116.29 1ddm n PHE 94 Ca -0.02 -2.93 0.00 0.00 -0.00 0.00 0.00 57.45 54.51 1ddm n PHE 94 Cb 0.11 0.56 0.00 0.00 -0.00 0.00 0.00 39.48 40.15 1ddm n PHE 94 CO 0.00 0.00 0.00 0.39 -0.00 0.00 0.00 176.76 177.15 1ddm n GLU 95 N 0.68 0.00 -3.79 -4.13 1.02 -1.26 -5.03 120.64 108.12 1ddm n GLU 95 Ca 0.16 0.00 -0.29 0.00 -0.02 0.00 0.00 57.16 57.01 1ddm n GLU 95 Cb 0.65 0.00 0.02 0.00 -0.02 0.00 0.00 31.44 32.09 1ddm n GLU 95 CO 0.00 0.00 0.00 -1.13 1.18 0.00 0.00 177.13 177.18 1ddm n SER 96 N -2.20 -4.61 -0.99 1.62 3.41 -1.26 -4.82 113.62 104.76 1ddm n SER 96 Ca 0.00 -0.70 0.00 0.00 -0.26 0.00 0.00 58.87 57.91 1ddm n SER 96 Cb 0.00 -3.71 -0.01 0.00 -0.26 0.00 0.00 64.21 60.23 1ddm n SER 96 CO 0.00 0.00 0.00 -2.11 -0.16 0.00 0.00 175.04 172.77 1ddm n ARG 97 N -4.46 0.00 -3.52 4.33 1.85 -1.26 -5.03 116.66 108.57 1ddm n ARG 97 Ca 0.03 -1.25 -0.11 0.00 -1.00 0.00 0.00 57.85 55.52 1ddm n ARG 97 Cb 0.53 -0.03 -0.02 0.00 -1.05 0.00 0.00 32.46 31.89 1ddm n ARG 97 CO 0.00 0.00 0.00 0.20 -0.01 0.00 0.00 177.63 177.82 1ddm s GLY 98 N -1.25 -0.49 0.15 2.89 0.00 -1.26 -5.03 107.32 102.33 1ddm s GLY 98 Ca 0.13 0.30 0.24 0.00 0.00 0.00 0.00 44.72 45.39 1ddm s GLY 98 CO -0.07 0.06 1.31 0.00 0.00 0.00 0.00 173.10 174.41 1ddm h MET 99 N 2.04 0.00 0.00 2.90 -0.00 -1.96 -3.29 114.93 114.62 1ddm h MET 99 Ca -0.32 0.00 0.00 0.00 -0.00 0.00 0.00 59.70 59.38 1ddm h MET 99 Cb 1.29 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 32.89 1ddm h MET 99 CO 0.37 0.00 -0.02 1.96 -0.00 0.00 0.00 176.91 179.22 1ddm h GLN 100 N 0.00 0.00 0.00 -0.10 4.20 -1.96 -3.22 115.11 114.03 1ddm h GLN 100 Ca 0.00 0.00 -0.01 0.00 0.06 0.00 0.00 58.65 58.70 1ddm h GLN 100 Cb 0.79 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 28.57 1ddm h GLN 100 CO 0.00 0.00 -0.05 0.28 -0.67 0.00 0.00 178.83 178.39 1ddm h VAL 101 N 0.00 0.77 0.00 -0.54 2.07 -1.95 -1.17 116.25 115.43 1ddm h VAL 101 Ca 0.00 -0.21 -0.13 0.00 0.82 0.00 0.00 66.70 67.18 1ddm h VAL 101 Cb 0.90 1.12 -0.02 0.00 -1.52 0.00 0.00 31.29 31.77 1ddm h VAL 101 CO 0.00 0.05 -0.70 0.00 0.02 0.00 0.00 177.57 176.94 1ddm h GLU 103 N 0.00 0.00 0.00 0.00 4.81 -1.36 -2.39 114.58 115.64 1ddm h GLU 103 Ca -0.02 0.00 -0.41 0.00 -0.13 0.00 0.00 59.36 58.79 1ddm h GLU 103 Cb 1.49 0.00 -0.07 0.00 0.63 0.00 0.00 28.75 30.80 1ddm h GLU 103 CO 0.08 0.00 -2.49 0.39 -0.73 0.00 0.00 179.01 176.26 1ddm n GLU 104 N -2.45 0.63 -0.36 1.92 -0.58 -1.19 -4.37 120.64 114.25 1ddm n GLU 104 Ca 0.01 0.19 0.01 0.00 -0.42 0.00 0.00 57.16 56.94 1ddm n GLU 104 Cb 0.23 -1.52 0.16 0.00 -0.57 0.00 0.00 31.44 29.74 1ddm n GLU 104 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1ddm h ALA 105 N -0.29 1.36 -0.50 0.62 0.00 -1.44 -1.18 119.26 117.83 1ddm h ALA 105 Ca -0.61 -0.05 0.10 0.00 0.00 0.00 0.00 54.91 54.35 1ddm h ALA 105 Cb 1.82 -0.35 -0.03 0.00 0.00 0.00 0.00 17.79 19.23 1ddm h ALA 105 CO -0.18 0.54 0.34 1.25 0.00 0.00 0.00 179.25 181.20 1ddm h LEU 106 N 1.24 0.24 -0.05 0.00 5.85 -1.65 -1.10 115.31 119.85 1ddm h LEU 106 Ca 0.39 0.00 -0.26 0.00 0.84 0.00 0.00 57.88 58.86 1ddm h LEU 106 Cb 0.00 -0.05 0.02 0.00 0.37 0.00 0.00 40.66 41.01 1ddm h LEU 106 CO -0.12 0.15 -1.02 0.50 -0.34 0.00 0.00 178.44 177.61 1ddm h LYS 107 N 0.27 0.63 -0.60 1.25 1.63 -1.43 -2.98 116.57 115.34 1ddm h LYS 107 Ca 0.23 -0.68 0.03 0.00 -0.85 0.00 0.00 60.65 59.39 1ddm h LYS 107 Cb 0.57 0.19 -0.04 0.00 -0.60 0.00 0.00 32.23 32.35 1ddm h LYS 107 CO -0.05 1.27 0.36 0.28 -3.45 0.00 0.00 179.45 177.86 1ddm h VAL 108 N 0.36 1.04 0.00 2.00 2.07 -0.80 -0.27 116.25 120.65 1ddm h VAL 108 Ca -0.12 -0.24 0.00 0.00 0.82 0.00 0.00 66.70 67.17 1ddm h VAL 108 Cb 1.66 0.29 0.00 0.00 -1.52 0.00 0.00 31.29 31.72 1ddm h VAL 108 CO 0.19 0.13 0.00 -0.07 0.02 0.00 0.00 177.57 177.84 1ddm h LEU 109 N 0.69 0.00 0.00 2.57 3.38 -1.49 -2.22 115.31 118.24 1ddm h LEU 109 Ca 0.25 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.22 1ddm h LEU 109 Cb 0.06 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.81 1ddm h LEU 109 CO -0.12 0.00 -0.30 -1.14 0.09 0.00 0.00 178.44 176.97 1ddm n ARG 110 N -2.45 0.14 0.09 1.13 0.63 -0.18 -4.15 116.66 111.88 1ddm n ARG 110 Ca 0.03 0.07 -0.04 0.00 -0.92 0.00 0.00 57.85 56.99 1ddm n ARG 110 Cb 0.30 -1.62 -0.02 0.00 0.45 0.00 0.00 32.46 31.58 1ddm n ARG 110 CO 0.00 0.00 0.00 1.96 -2.51 0.00 0.00 177.63 177.08 1ddm h GLN 111 N 0.00 -0.26 0.00 -0.14 1.08 -0.73 -3.51 115.11 111.55 1ddm h GLN 111 Ca 0.00 0.02 0.00 0.00 -1.45 0.00 0.00 58.65 57.22 1ddm h GLN 111 Cb 0.62 0.06 0.00 0.00 -0.05 0.00 0.00 27.48 28.11 1ddm h GLN 111 CO 0.00 -0.17 0.00 0.45 -0.95 0.00 0.00 178.83 178.16 1ddm n SER 112 N -3.62 0.00 0.00 1.46 2.88 -1.25 -5.05 113.62 108.05 1ddm n SER 112 Ca -0.03 -0.91 0.00 0.00 -1.33 0.00 0.00 58.87 56.59 1ddm n SER 112 Cb 0.11 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.57 1ddm n SER 112 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 1ddm n ARG 113 N 0.00 0.00 -2.33 -1.46 3.00 -1.26 -4.74 116.66 109.86 1ddm n ARG 113 Ca 0.00 0.00 -0.40 0.00 -0.01 0.00 0.00 57.85 57.44 1ddm n ARG 113 Cb 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 32.46 32.43 1ddm n ARG 113 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.63 178.66 1ddm s ARG 114 N 0.00 2.97 0.12 5.56 1.81 -1.26 -4.98 118.95 123.16 1ddm s ARG 114 Ca 0.00 0.14 -0.30 0.00 -1.72 0.00 0.00 55.73 53.86 1ddm s ARG 114 Cb 0.00 -4.26 -0.06 0.00 -0.45 0.00 0.00 34.95 30.18 1ddm s ARG 114 CO 0.00 -2.37 0.95 0.50 -0.68 0.00 0.00 175.30 173.69 1ddm s ARG 115 N 6.25 4.70 0.72 3.54 3.52 -1.20 -4.72 118.95 131.75 1ddm s ARG 115 Ca 0.49 1.43 -0.13 0.00 -0.13 0.00 0.00 55.73 57.39 1ddm s ARG 115 Cb -0.10 -3.37 0.03 0.00 -1.56 0.00 0.00 34.95 29.95 1ddm s ARG 115 CO 0.18 0.24 1.12 -2.14 -0.81 0.00 0.00 175.30 173.89 1ddm s PRO 116 N -0.10 2.43 -0.00 5.12 0.02 -1.25 -4.54 135.00 136.67 1ddm s PRO 116 Ca 0.46 1.38 0.04 0.00 0.02 0.00 0.00 61.00 62.90 1ddm s PRO 116 Cb -0.23 -1.90 -0.01 0.00 0.02 0.00 0.00 34.50 32.37 1ddm s PRO 116 CO 0.30 -1.54 -0.13 0.08 -0.33 0.00 0.00 177.00 175.38 1ddm s VAL 117 N -2.49 0.99 -0.67 3.83 1.01 -0.36 -4.90 120.40 117.81 1ddm s VAL 117 Ca 0.66 -0.57 -0.20 0.00 0.00 0.00 0.00 61.98 61.87 1ddm s VAL 117 Cb -0.21 -0.83 0.10 0.00 0.00 0.00 0.00 36.38 35.44 1ddm s VAL 117 CO 0.47 0.25 0.85 -0.60 0.00 0.00 0.00 175.10 176.07 1ddm s ARG 118 N -0.37 3.17 0.00 2.72 3.52 -1.26 -2.47 118.95 124.25 1ddm s ARG 118 Ca 0.04 -1.30 0.00 0.00 -0.13 0.00 0.00 55.73 54.34 1ddm s ARG 118 Cb -0.05 -4.36 0.00 0.00 -1.56 0.00 0.00 34.95 28.98 1ddm s ARG 118 CO -0.00 -1.65 0.00 0.41 -0.81 0.00 0.00 175.30 173.25 1ddm n GLY 119 N 5.26 6.41 2.79 8.12 0.00 -1.15 -2.34 105.19 124.28 1ddm n GLY 119 Ca -0.02 -1.90 -0.30 0.00 0.00 0.00 0.00 46.02 43.80 1ddm n GLY 119 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1ddm s LEU 120 N 0.00 2.43 0.08 0.99 1.98 -0.36 -1.87 118.68 121.94 1ddm s LEU 120 Ca 0.00 -1.56 -0.31 0.00 -2.89 0.00 0.00 54.13 49.37 1ddm s LEU 120 Cb 0.00 -0.95 -0.07 0.00 0.66 0.00 0.00 46.19 45.83 1ddm s LEU 120 CO 0.00 -0.38 1.41 -0.22 -1.89 0.00 0.00 176.35 175.27 1ddm s LEU 121 N 1.54 4.36 -0.54 -0.68 2.96 -0.21 -2.28 118.68 123.82 1ddm s LEU 121 Ca 0.07 2.28 0.04 0.00 -0.22 0.00 0.00 54.13 56.31 1ddm s LEU 121 Cb -0.18 -3.58 0.14 0.00 0.50 0.00 0.00 46.19 43.07 1ddm s LEU 121 CO -0.20 -0.68 0.30 -1.00 -1.32 0.00 0.00 176.35 173.45 1ddm s HIS 122 N 1.51 3.05 -0.69 5.38 3.76 -0.54 -2.34 115.29 125.42 1ddm s HIS 122 Ca 0.65 -3.09 -0.26 0.00 -0.15 0.00 0.00 55.06 52.21 1ddm s HIS 122 Cb -0.36 -2.63 -0.09 0.00 1.11 0.00 0.00 32.58 30.61 1ddm s HIS 122 CO 0.29 -0.71 2.27 0.08 -0.85 0.00 0.00 174.74 175.83 1ddm s VAL 123 N -0.42 3.12 -0.00 -0.90 1.01 -1.26 -3.09 120.40 118.85 1ddm s VAL 123 Ca 0.19 -0.03 -0.05 0.00 0.00 0.00 0.00 61.98 62.08 1ddm s VAL 123 Cb -0.21 -3.28 -0.04 0.00 0.00 0.00 0.00 36.38 32.84 1ddm s VAL 123 CO -0.03 -0.27 0.24 -0.94 0.00 0.00 0.00 175.10 174.09 1ddm s SER 124 N 10.55 6.45 0.00 3.32 1.04 -1.21 -2.78 113.70 131.06 1ddm s SER 124 Ca 0.88 0.49 0.01 0.00 0.48 0.00 0.00 55.95 57.80 1ddm s SER 124 Cb -0.13 -2.06 0.04 0.00 0.10 0.00 0.00 66.02 63.97 1ddm s SER 124 CO 0.14 0.26 0.93 0.61 0.98 0.00 0.00 173.24 176.16 1ddm n GLY 125 N 1.10 -0.43 1.25 7.32 0.00 -0.17 -1.30 105.19 112.96 1ddm n GLY 125 Ca -0.11 -0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.82 1ddm n GLY 125 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1ddm n ASP 126 N -1.40 3.18 0.00 1.61 -0.08 -1.26 -4.61 116.55 114.00 1ddm n ASP 126 Ca 0.00 -3.84 0.00 0.00 -1.51 0.00 0.00 54.79 49.45 1ddm n ASP 126 Cb 0.01 -0.45 0.00 0.00 2.34 0.00 0.00 41.12 43.02 1ddm n ASP 126 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1ddm n GLY 127 N -0.93 2.76 3.79 0.27 0.00 -0.42 -4.75 105.19 105.90 1ddm n GLY 127 Ca 0.30 -1.62 -0.30 0.00 0.00 0.00 0.00 46.02 44.40 1ddm n GLY 127 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1ddm s LEU 128 N 0.00 2.62 -0.28 0.99 1.43 -1.25 -3.35 118.68 118.84 1ddm s LEU 128 Ca 0.00 1.40 -0.05 0.00 -1.03 0.00 0.00 54.13 54.45 1ddm s LEU 128 Cb 0.00 -4.01 0.15 0.00 0.03 0.00 0.00 46.19 42.36 1ddm s LEU 128 CO 0.00 -2.03 0.57 0.00 0.23 0.00 0.00 176.35 175.12 1ddm s ARG 129 N -5.09 0.52 -0.50 1.70 3.03 -1.18 -4.23 118.95 113.19 1ddm s ARG 129 Ca 0.61 1.12 -0.16 0.00 2.03 0.00 0.00 55.73 59.33 1ddm s ARG 129 Cb -0.15 0.53 0.09 0.00 -1.03 0.00 0.00 34.95 34.39 1ddm s ARG 129 CO 0.55 -0.43 0.46 0.08 -1.13 0.00 0.00 175.30 174.83 1ddm s VAL 130 N 2.81 5.18 -0.44 4.99 1.01 -1.16 -1.47 120.40 131.33 1ddm s VAL 130 Ca 0.08 -1.17 -0.19 0.00 0.00 0.00 0.00 61.98 60.69 1ddm s VAL 130 Cb -0.14 -4.23 0.03 0.00 0.00 0.00 0.00 36.38 32.04 1ddm s VAL 130 CO -0.19 -0.72 0.57 -0.69 0.00 0.00 0.00 175.10 174.07 1ddm s VAL 131 N 1.74 4.92 0.27 2.92 1.01 -0.97 -2.29 120.40 128.01 1ddm s VAL 131 Ca 0.05 -0.11 -0.28 0.00 0.00 0.00 0.00 61.98 61.64 1ddm s VAL 131 Cb -0.26 -4.15 -0.14 0.00 0.00 0.00 0.00 36.38 31.82 1ddm s VAL 131 CO 0.06 -0.55 0.96 0.47 0.00 0.00 0.00 175.10 176.03 1ddm n ASP 132 N 6.02 1.00 -1.44 3.32 9.92 -1.26 -1.22 116.55 132.88 1ddm n ASP 132 Ca -0.04 1.17 0.10 0.00 -0.53 0.00 0.00 54.79 55.49 1ddm n ASP 132 Cb 0.47 -1.24 0.33 0.00 -0.64 0.00 0.00 41.12 40.04 1ddm n ASP 132 CO 0.00 0.00 0.00 -0.67 0.13 0.00 0.00 177.20 176.66 1ddm n ASP 133 N 1.37 4.24 0.00 -2.24 -0.08 -0.99 -1.36 116.55 117.49 1ddm n ASP 133 Ca 0.11 -2.26 0.00 0.00 -1.51 0.00 0.00 54.79 51.13 1ddm n ASP 133 Cb 0.31 -0.53 0.00 0.00 2.34 0.00 0.00 41.12 43.24 1ddm n ASP 133 CO 0.00 0.00 0.00 -1.84 0.12 0.00 0.00 177.20 175.48 1ddm n GLU 134 N 1.26 -0.05 0.00 -0.67 0.28 -1.26 -4.87 120.64 115.33 1ddm n GLU 134 Ca 0.24 -0.07 0.00 0.00 -0.16 0.00 0.00 57.16 57.17 1ddm n GLU 134 Cb 0.75 -0.54 0.00 0.00 1.43 0.00 0.00 31.44 33.09 1ddm n GLU 134 CO 0.00 0.00 0.00 2.41 -0.16 0.00 0.00 177.13 179.38 1ddm n THR 135 N -0.00 0.00 -3.33 3.84 -1.04 -1.26 -5.03 114.28 107.47 1ddm n THR 135 Ca 0.00 0.00 -0.23 0.00 -2.04 0.00 0.00 64.05 61.78 1ddm n THR 135 Cb 0.25 0.00 -0.00 0.00 -1.82 0.00 0.00 70.33 68.76 1ddm n THR 135 CO 0.00 0.00 0.00 0.29 -0.64 0.00 0.00 175.07 174.72 1ddm n LYS 136 N -0.32 -3.36 0.00 -2.82 4.76 -0.46 -4.82 118.16 111.14 1ddm n LYS 136 Ca 0.00 0.48 0.11 0.00 -2.87 0.00 0.00 58.31 56.03 1ddm n LYS 136 Cb 0.00 -5.19 -0.01 0.00 -1.84 0.00 0.00 35.03 27.99 1ddm n LYS 136 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1ddm n GLY 137 N -1.16 -0.03 1.12 0.72 0.00 -1.26 -4.81 105.19 99.76 1ddm n GLY 137 Ca -0.02 -0.63 0.00 0.00 0.00 0.00 0.00 46.02 45.37 1ddm n GLY 137 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1ddm n LEU 138 N -0.12 -1.23 0.00 0.99 7.94 -1.26 -4.95 117.00 118.37 1ddm n LEU 138 Ca 0.09 2.03 0.00 0.00 -1.11 0.00 0.00 56.01 57.02 1ddm n LEU 138 Cb 0.45 -1.94 0.00 0.00 0.53 0.00 0.00 43.42 42.47 1ddm n LEU 138 CO 0.29 -0.54 -0.04 2.30 -1.11 0.00 0.00 177.39 178.29 1ddm n ILE 139 N -2.22 0.00 -3.78 1.96 -5.35 -0.97 -4.87 119.36 104.12 1ddm n ILE 139 Ca 0.00 0.00 -0.35 0.00 -0.27 0.00 0.00 62.75 62.13 1ddm n ILE 139 Cb 0.33 -0.05 -0.11 0.00 -1.74 0.00 0.00 39.64 38.06 1ddm n ILE 139 CO 0.00 0.00 0.00 -0.69 -1.76 0.00 0.00 176.55 174.10 1ddm s VAL 140 N -1.08 3.33 -0.34 7.28 1.01 -1.26 -4.91 120.40 124.44 1ddm s VAL 140 Ca 0.00 -2.51 0.09 0.00 0.00 0.00 0.00 61.98 59.56 1ddm s VAL 140 Cb 0.00 -3.25 0.69 0.00 0.00 0.00 0.00 36.38 33.82 1ddm s VAL 140 CO 0.00 -0.76 1.76 -0.90 0.00 0.00 0.00 175.10 175.20 1ddm n ASP 141 N 4.05 4.26 -2.69 3.32 5.68 -1.26 -2.97 116.55 126.95 1ddm n ASP 141 Ca 0.02 -3.36 0.00 0.00 -0.50 0.00 0.00 54.79 50.95 1ddm n ASP 141 Cb 0.39 -0.74 0.00 0.00 -1.14 0.00 0.00 41.12 39.64 1ddm n ASP 141 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1ddm n GLN 142 N -0.51 0.36 -4.04 0.11 6.02 -1.26 -5.02 117.38 113.04 1ddm n GLN 142 Ca 0.43 0.00 -0.08 0.00 -0.01 0.00 0.00 57.00 57.34 1ddm n GLN 142 Cb 1.37 0.00 -0.10 0.00 1.02 0.00 0.00 30.24 32.54 1ddm n GLN 142 CO 0.00 0.00 0.00 0.99 -1.01 0.00 0.00 177.06 177.04 1ddm s THR 143 N -0.48 0.19 0.08 5.09 2.01 -1.26 -3.96 115.64 117.31 1ddm s THR 143 Ca 0.00 -1.57 -0.15 0.00 0.31 0.00 0.00 61.69 60.28 1ddm s THR 143 Cb 0.00 -1.30 -0.16 0.00 0.01 0.00 0.00 72.50 71.05 1ddm s THR 143 CO 0.00 -0.87 1.28 0.40 -0.69 0.00 0.00 174.62 174.74 1ddm h ILE 144 N 3.32 1.32 0.00 1.82 2.04 -1.87 -2.65 117.51 121.49 1ddm h ILE 144 Ca -0.34 -1.87 0.00 0.00 1.00 0.00 0.00 64.86 63.66 1ddm h ILE 144 Cb 1.16 2.03 0.00 0.00 -0.74 0.00 0.00 36.82 39.27 1ddm h ILE 144 CO 0.61 0.58 0.00 -1.84 0.00 0.00 0.00 178.15 177.50 1ddm n GLU 145 N -4.09 0.26 0.03 2.37 0.28 -1.26 -3.29 120.64 114.94 1ddm n GLU 145 Ca -0.07 0.03 -0.22 0.00 -0.16 0.00 0.00 57.16 56.74 1ddm n GLU 145 Cb 0.66 -1.50 -0.14 0.00 1.43 0.00 0.00 31.44 31.89 1ddm n GLU 145 CO 0.00 0.00 0.00 -0.22 -0.16 0.00 0.00 177.13 176.75 1ddm h LYS 146 N 0.00 0.31 -7.15 3.44 3.64 -1.93 -3.47 116.57 111.41 1ddm h LYS 146 Ca 0.00 -0.54 -0.48 0.00 -1.27 0.00 0.00 60.65 58.36 1ddm h LYS 146 Cb 0.33 0.20 0.05 0.00 -0.41 0.00 0.00 32.23 32.39 1ddm h LYS 146 CO 0.00 1.26 0.38 0.14 -2.27 0.00 0.00 179.45 178.96 1ddm s VAL 147 N -2.55 3.84 0.05 2.00 -7.23 -1.01 -4.98 120.40 110.51 1ddm s VAL 147 Ca -0.20 0.98 -0.16 0.00 -1.81 0.00 0.00 61.98 60.78 1ddm s VAL 147 Cb 0.06 -3.43 -0.07 0.00 0.56 0.00 0.00 36.38 33.50 1ddm s VAL 147 CO 0.80 -0.42 1.26 0.28 -0.31 0.00 0.00 175.10 176.72 1ddm h SER 148 N 0.89 -0.76 -2.72 4.85 0.02 -1.23 -3.47 113.55 111.14 1ddm h SER 148 Ca -0.48 0.08 0.14 0.00 -0.84 0.00 0.00 61.79 60.69 1ddm h SER 148 Cb 1.22 0.28 -0.30 0.00 0.14 0.00 0.00 62.40 63.74 1ddm h SER 148 CO 0.58 -0.27 0.72 0.72 -1.14 0.00 0.00 176.83 177.45 1ddm s PHE 149 N -4.31 -0.22 0.97 3.45 -0.12 -1.26 -5.04 117.98 111.46 1ddm s PHE 149 Ca -0.08 0.51 -0.12 0.00 -0.05 0.00 0.00 56.93 57.20 1ddm s PHE 149 Cb 0.03 0.44 0.17 0.00 -0.63 0.00 0.00 43.02 43.03 1ddm s PHE 149 CO 0.29 -0.12 1.08 0.00 -0.05 0.00 0.00 175.22 176.42 1ddm s ALA 151 N -2.82 -2.53 0.89 0.00 0.00 -0.89 -4.88 121.76 111.52 1ddm s ALA 151 Ca 0.65 2.11 0.00 0.00 0.00 0.00 0.00 51.96 54.72 1ddm s ALA 151 Cb -0.20 -1.91 0.00 0.00 0.00 0.00 0.00 23.12 21.01 1ddm s ALA 151 CO 0.59 -0.68 0.00 -0.35 0.00 0.00 0.00 175.76 175.32 1ddm n PRO 152 N 4.37 1.40 -4.37 0.00 -0.04 -1.26 -2.38 135.00 132.72 1ddm n PRO 152 Ca -0.13 0.00 -0.25 0.00 -0.04 0.00 0.00 63.50 63.08 1ddm n PRO 152 Cb 0.55 0.00 -0.07 0.00 -0.04 0.00 0.00 33.50 33.94 1ddm n PRO 152 CO 0.00 0.00 0.00 -0.40 -0.04 0.00 0.00 175.50 175.06 1ddm n ASP 153 N 0.00 1.17 -0.40 3.54 5.75 -1.19 -4.29 116.55 121.13 1ddm n ASP 153 Ca 0.00 -3.15 0.05 0.00 -0.01 0.00 0.00 54.79 51.68 1ddm n ASP 153 Cb 0.00 1.04 0.07 0.00 -1.03 0.00 0.00 41.12 41.20 1ddm n ASP 153 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 1ddm n ARG 154 N -0.90 0.62 -0.07 0.11 5.12 -1.26 -4.58 116.66 115.70 1ddm n ARG 154 Ca -0.05 -1.85 -0.08 0.00 -1.93 0.00 0.00 57.85 53.94 1ddm n ARG 154 Cb 0.61 -0.95 -0.04 0.00 -1.16 0.00 0.00 32.46 30.92 1ddm n ARG 154 CO 0.00 0.00 0.00 -0.97 -1.93 0.00 0.00 177.63 174.73 1ddm h ASN 155 N 0.13 0.00 0.00 0.55 -1.24 -1.97 -3.46 115.58 109.59 1ddm h ASN 155 Ca -0.02 -0.13 0.00 0.00 0.71 0.00 0.00 56.30 56.86 1ddm h ASN 155 Cb 1.24 0.00 0.00 0.00 0.73 0.00 0.00 38.32 40.29 1ddm h ASN 155 CO 0.01 0.87 -0.06 0.00 -1.29 0.00 0.00 177.43 176.95 1ddm n HIS 156 N -4.60 0.00 -1.66 0.67 1.44 -1.26 -4.99 115.22 104.81 1ddm n HIS 156 Ca -0.11 0.00 -0.19 0.00 -2.01 0.00 0.00 57.72 55.41 1ddm n HIS 156 Cb 0.32 0.13 -0.07 0.00 0.12 0.00 0.00 29.99 30.49 1ddm n HIS 156 CO 0.00 0.00 0.00 0.39 -2.81 0.00 0.00 176.34 173.92 1ddm n GLU 157 N 0.00 -1.47 -0.38 -1.40 -0.58 -1.26 -4.80 120.64 110.75 1ddm n GLU 157 Ca 0.00 1.07 0.08 0.00 -0.42 0.00 0.00 57.16 57.88 1ddm n GLU 157 Cb 0.53 -5.45 0.24 0.00 -0.57 0.00 0.00 31.44 26.18 1ddm n GLU 157 CO 0.00 0.00 0.00 0.54 -0.48 0.00 0.00 177.13 177.19 1ddm n ARG 158 N -2.33 2.99 -3.68 3.49 3.00 -1.26 -4.06 116.66 114.81 1ddm n ARG 158 Ca -0.19 -2.62 -0.12 0.00 -0.01 0.00 0.00 57.85 54.90 1ddm n ARG 158 Cb 0.62 -1.69 -0.13 0.00 0.00 0.00 0.00 32.46 31.26 1ddm n ARG 158 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.63 177.83 1ddm s GLY 159 N -1.61 -0.17 0.28 -0.13 0.00 -1.26 -2.35 107.32 102.08 1ddm s GLY 159 Ca 0.37 1.08 0.06 0.00 0.00 0.00 0.00 44.72 46.23 1ddm s GLY 159 CO 0.11 1.78 -0.04 -1.36 0.00 0.00 0.00 173.10 173.59 1ddm s PHE 160 N 1.99 1.92 0.06 1.90 0.08 -0.73 -3.15 117.98 120.05 1ddm s PHE 160 Ca -0.03 -0.74 -0.26 0.00 0.12 0.00 0.00 56.93 56.01 1ddm s PHE 160 Cb -0.11 -1.11 0.09 0.00 -0.57 0.00 0.00 43.02 41.31 1ddm s PHE 160 CO -0.09 0.23 0.75 -1.54 -0.10 0.00 0.00 175.22 174.47 1ddm s SER 161 N -3.43 -0.48 0.06 1.36 1.04 -1.00 -1.49 113.70 109.75 1ddm s SER 161 Ca 0.30 0.07 0.05 0.00 0.48 0.00 0.00 55.95 56.84 1ddm s SER 161 Cb 0.04 0.49 -0.03 0.00 0.10 0.00 0.00 66.02 66.62 1ddm s SER 161 CO 0.12 -0.76 -0.13 -0.72 0.98 0.00 0.00 173.24 172.73 1ddm s TYR 162 N -3.17 1.12 0.09 5.02 -0.85 -0.65 -2.11 117.35 116.80 1ddm s TYR 162 Ca 0.02 -0.43 0.04 0.00 -0.52 0.00 0.00 57.07 56.17 1ddm s TYR 162 Cb -0.01 -0.64 -0.04 0.00 0.38 0.00 0.00 41.96 41.65 1ddm s TYR 162 CO -0.09 0.03 0.06 0.42 -1.52 0.00 0.00 175.55 174.45 1ddm s ILE 163 N -1.17 4.36 -0.29 -3.49 1.09 -1.25 -0.81 121.20 119.64 1ddm s ILE 163 Ca -0.02 -0.87 -0.01 0.00 -1.10 0.00 0.00 60.65 58.64 1ddm s ILE 163 Cb -0.09 -3.11 0.13 0.00 -1.06 0.00 0.00 42.46 38.33 1ddm s ILE 163 CO 0.02 0.10 0.28 0.00 -0.10 0.00 0.00 174.94 175.23 1ddm n ARG 165 N 5.30 2.11 -0.21 0.00 1.85 -1.26 -1.78 116.66 122.67 1ddm n ARG 165 Ca -0.03 0.00 -0.24 0.00 -1.00 0.00 0.00 57.85 56.59 1ddm n ARG 165 Cb 0.46 0.00 0.23 0.00 -1.05 0.00 0.00 32.46 32.10 1ddm n ARG 165 CO 0.00 0.00 0.00 -0.40 -0.01 0.00 0.00 177.63 177.22 1ddm n ASP 166 N 0.00 -3.69 0.00 2.89 5.68 -0.72 -4.17 116.55 116.53 1ddm n ASP 166 Ca 0.00 -0.68 0.00 0.00 -0.50 0.00 0.00 54.79 53.61 1ddm n ASP 166 Cb 0.00 -0.80 0.00 0.00 -1.14 0.00 0.00 41.12 39.18 1ddm n ASP 166 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1ddm n GLY 167 N -4.32 0.45 0.00 6.12 0.00 -1.26 -4.60 105.19 101.59 1ddm n GLY 167 Ca 0.11 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.13 1ddm n GLY 167 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 1ddm n THR 168 N -2.00 0.00 -0.22 2.61 5.66 -1.26 -4.94 114.28 114.13 1ddm n THR 168 Ca 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.00 1ddm n THR 168 Cb 0.00 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 68.78 1ddm n THR 168 CO 0.00 0.00 0.00 0.41 -3.05 0.00 0.00 175.07 172.43 1ddm n THR 169 N 0.00 0.00 -1.39 1.09 -1.04 -1.26 -5.00 114.28 106.68 1ddm n THR 169 Ca 0.00 -0.15 -0.14 0.00 -2.04 0.00 0.00 64.05 61.72 1ddm n THR 169 Cb 0.01 1.22 -0.06 0.00 -1.82 0.00 0.00 70.33 69.68 1ddm n THR 169 CO 0.00 0.00 0.00 0.54 -0.64 0.00 0.00 175.07 174.97 1ddm n ARG 170 N -0.21 -1.61 -3.94 -2.82 5.12 -1.26 -4.84 116.66 107.09 1ddm n ARG 170 Ca 0.00 0.97 -0.00 0.00 -1.93 0.00 0.00 57.85 56.88 1ddm n ARG 170 Cb 0.05 -5.35 0.02 0.00 -1.16 0.00 0.00 32.46 26.02 1ddm n ARG 170 CO 0.00 0.00 0.00 -0.98 -1.93 0.00 0.00 177.63 174.72 1ddm s ARG 171 N -3.15 0.88 -0.38 5.56 1.70 -1.26 -4.83 118.95 117.47 1ddm s ARG 171 Ca 0.00 -0.57 -0.25 0.00 -0.47 0.00 0.00 55.73 54.44 1ddm s ARG 171 Cb 0.00 0.24 0.02 0.00 -0.57 0.00 0.00 34.95 34.64 1ddm s ARG 171 CO 0.00 -0.41 0.89 -1.58 -1.08 0.00 0.00 175.30 173.12 1ddm s TRP 172 N -2.06 3.06 -0.14 5.89 0.52 -1.26 -1.76 118.94 123.19 1ddm s TRP 172 Ca 0.26 0.64 -0.01 0.00 0.02 0.00 0.00 56.10 57.01 1ddm s TRP 172 Cb -0.02 -3.65 0.04 0.00 -1.15 0.00 0.00 33.47 28.69 1ddm s TRP 172 CO 0.03 -0.86 -0.03 -1.64 0.02 0.00 0.00 176.95 174.47 1ddm s MET 173 N 3.44 1.14 -0.16 4.98 -1.94 -0.73 -1.97 119.30 124.05 1ddm s MET 173 Ca 0.36 -0.31 -0.04 0.00 -1.71 0.00 0.00 55.69 53.99 1ddm s MET 173 Cb -0.12 -1.70 -0.03 0.00 2.01 0.00 0.00 34.83 34.99 1ddm s MET 173 CO 0.20 -0.40 -0.03 0.00 -0.01 0.00 0.00 175.02 174.78 1ddm s HIS 175 N 0.44 3.62 0.20 0.00 0.09 0.01 -1.76 115.29 117.88 1ddm s HIS 175 Ca -0.03 0.68 0.09 0.00 -0.00 0.00 0.00 55.06 55.80 1ddm s HIS 175 Cb -0.14 -2.06 -0.04 0.00 -0.00 0.00 0.00 32.58 30.33 1ddm s HIS 175 CO 0.03 0.65 -0.18 0.20 -0.00 0.00 0.00 174.74 175.43 1ddm s GLY 176 N -1.37 1.52 0.29 -2.22 0.00 -1.22 -1.64 107.32 102.67 1ddm s GLY 176 Ca 0.23 -1.61 -0.20 0.00 0.00 0.00 0.00 44.72 43.14 1ddm s GLY 176 CO 0.12 -1.68 0.78 -0.11 0.00 0.00 0.00 173.10 172.21 1ddm s PHE 177 N -2.32 -0.10 0.02 1.90 -0.71 -0.56 -2.35 117.98 113.87 1ddm s PHE 177 Ca 0.20 -0.40 0.01 0.00 -1.04 0.00 0.00 56.93 55.70 1ddm s PHE 177 Cb -0.05 0.73 -0.02 0.00 -1.21 0.00 0.00 43.02 42.48 1ddm s PHE 177 CO 0.08 -1.26 -0.04 -0.51 -1.34 0.00 0.00 175.22 172.14 1ddm s LEU 178 N -2.98 2.22 -0.18 -1.99 1.02 -1.22 -1.77 118.68 113.79 1ddm s LEU 178 Ca 0.13 -0.46 -0.29 0.00 0.02 0.00 0.00 54.13 53.52 1ddm s LEU 178 Cb -0.05 -0.01 -0.00 0.00 0.02 0.00 0.00 46.19 46.15 1ddm s LEU 178 CO 0.08 -0.23 1.08 0.00 0.02 0.00 0.00 176.35 177.30 1ddm s ALA 179 N -1.28 3.61 -2.01 4.21 0.00 -0.99 -0.49 121.76 124.80 1ddm s ALA 179 Ca -0.12 0.30 0.06 0.00 0.00 0.00 0.00 51.96 52.21 1ddm s ALA 179 Cb -0.09 -3.53 0.32 0.00 0.00 0.00 0.00 23.12 19.81 1ddm s ALA 179 CO -0.00 -0.95 1.21 0.00 0.00 0.00 0.00 175.76 176.02 1ddm n LYS 181 N -0.38 1.00 -2.93 0.00 4.76 -1.26 -4.97 118.16 114.38 1ddm n LYS 181 Ca 0.05 -0.02 -0.11 0.00 -2.87 0.00 0.00 58.31 55.36 1ddm n LYS 181 Cb 0.07 -1.46 0.01 0.00 -1.84 0.00 0.00 35.03 31.81 1ddm n LYS 181 CO 0.00 0.00 0.00 -0.25 -1.37 0.00 0.00 177.40 175.78 1ddm n ASP 182 N -2.63 -7.62 0.00 4.39 9.92 -1.20 -4.96 116.55 114.45 1ddm n ASP 182 Ca -0.27 0.54 0.00 0.00 -0.53 0.00 0.00 54.79 54.52 1ddm n ASP 182 Cb 1.04 -4.83 0.00 0.00 -0.64 0.00 0.00 41.12 36.69 1ddm n ASP 182 CO 0.00 0.00 0.00 -0.24 0.13 0.00 0.00 177.20 177.09 1ddm n SER 183 N -0.15 0.00 -1.94 -2.24 2.88 -1.26 -5.04 113.62 105.86 1ddm n SER 183 Ca 0.08 0.00 -0.12 0.00 -1.33 0.00 0.00 58.87 57.49 1ddm n SER 183 Cb 0.44 0.00 0.03 0.00 -0.75 0.00 0.00 64.21 63.94 1ddm n SER 183 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1ddm n GLY 184 N -0.84 0.09 0.00 0.46 0.00 -1.26 -4.84 105.19 98.80 1ddm n GLY 184 Ca 0.00 -0.24 0.00 0.00 0.00 0.00 0.00 46.02 45.78 1ddm n GLY 184 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1ddm n GLU 185 N -2.71 0.00 0.05 1.61 2.13 -1.26 -4.43 120.64 116.03 1ddm n GLU 185 Ca -0.03 0.00 0.11 0.00 0.66 0.00 0.00 57.16 57.90 1ddm n GLU 185 Cb 0.55 -0.21 0.44 0.00 0.27 0.00 0.00 31.44 32.49 1ddm n GLU 185 CO 0.00 0.00 0.00 0.54 -0.41 0.00 0.00 177.13 177.26 1ddm n ARG 186 N -0.72 0.09 0.00 5.31 5.12 -1.26 -3.77 116.66 121.42 1ddm n ARG 186 Ca 0.00 0.23 0.00 0.00 -1.93 0.00 0.00 57.85 56.15 1ddm n ARG 186 Cb 0.00 -1.64 0.00 0.00 -1.16 0.00 0.00 32.46 29.66 1ddm n ARG 186 CO 0.00 0.00 0.00 1.28 -1.93 0.00 0.00 177.63 176.98 1ddm n LEU 187 N -1.80 0.43 0.00 0.55 4.32 -1.26 -4.18 117.00 115.06 1ddm n LEU 187 Ca 0.04 0.00 0.00 0.00 -0.02 0.00 0.00 56.01 56.03 1ddm n LEU 187 Cb 0.27 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 42.07 1ddm n LEU 187 CO 0.21 -0.08 0.36 -0.24 -1.22 0.00 0.00 177.39 176.42 1ddm n SER 188 N -2.08 0.00 0.10 -1.43 2.88 -1.26 -1.46 113.62 110.36 1ddm n SER 188 Ca 0.00 0.72 0.18 0.00 -1.33 0.00 0.00 58.87 58.44 1ddm n SER 188 Cb 0.12 -0.22 0.72 0.00 -0.75 0.00 0.00 64.21 64.08 1ddm n SER 188 CO 0.00 0.00 0.00 -0.74 -1.23 0.00 0.00 175.04 173.07 1ddm h HIS 189 N 0.00 0.00 -0.20 0.66 2.76 -1.77 -1.41 115.15 115.18 1ddm h HIS 189 Ca 0.00 0.00 -0.00 0.00 -2.20 0.00 0.00 60.37 58.17 1ddm h HIS 189 Cb 0.00 0.00 -0.01 0.00 1.55 0.00 0.00 27.41 28.95 1ddm h HIS 189 CO 0.03 0.00 0.11 0.00 -1.30 0.00 0.00 177.93 176.77 1ddm h ALA 190 N 1.76 0.26 -0.29 5.26 0.00 -1.62 -2.74 119.26 121.89 1ddm h ALA 190 Ca 0.17 -0.05 -0.12 0.00 0.00 0.00 0.00 54.91 54.90 1ddm h ALA 190 Cb 0.74 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.44 1ddm h ALA 190 CO -0.00 -0.22 -0.33 0.28 0.00 0.00 0.00 179.25 178.97 1ddm h VAL 191 N 0.23 1.29 0.00 0.00 2.07 -0.20 -2.50 116.25 117.13 1ddm h VAL 191 Ca 0.07 -1.46 0.00 0.00 0.82 0.00 0.00 66.70 66.13 1ddm h VAL 191 Cb 0.05 1.42 0.00 0.00 -1.52 0.00 0.00 31.29 31.24 1ddm h VAL 191 CO -0.01 0.47 0.00 0.61 0.02 0.00 0.00 177.57 178.66 1ddm n GLY 192 N -0.12 -0.73 0.00 2.17 0.00 -0.82 -0.96 105.19 104.74 1ddm n GLY 192 Ca -0.01 0.04 0.06 0.00 0.00 0.00 0.00 46.02 46.11 1ddm n GLY 192 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ddm h ALA 194 N 1.46 -0.18 -0.71 0.00 0.00 -0.66 -2.83 119.26 116.34 1ddm h ALA 194 Ca 0.00 -0.10 -0.02 0.00 0.00 0.00 0.00 54.91 54.78 1ddm h ALA 194 Cb 0.49 0.07 -0.03 0.00 0.00 0.00 0.00 17.79 18.32 1ddm h ALA 194 CO 0.00 -0.52 0.34 0.27 0.00 0.00 0.00 179.25 179.34 1ddm h PHE 195 N -0.33 1.00 -0.08 0.00 -0.00 -1.80 0.12 116.94 115.84 1ddm h PHE 195 Ca -0.02 -0.04 0.02 0.00 -0.00 0.00 0.00 57.97 57.94 1ddm h PHE 195 Cb 0.27 -0.31 -0.00 0.00 -0.00 0.00 0.00 35.95 35.90 1ddm h PHE 195 CO -0.02 0.72 0.08 0.00 -0.00 0.00 0.00 178.31 179.09 1ddm h ALA 196 N 1.38 1.76 0.00 12.09 0.00 -1.75 -0.66 119.26 132.08 1ddm h ALA 196 Ca 0.25 -0.00 -0.08 0.00 0.00 0.00 0.00 54.91 55.08 1ddm h ALA 196 Cb 0.09 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 17.88 1ddm h ALA 196 CO -0.03 -0.12 -1.85 0.28 0.00 0.00 0.00 179.25 177.53 1ddm n VAL 197 N -4.01 0.44 0.20 0.00 0.31 -0.59 -4.20 118.33 110.49 1ddm n VAL 197 Ca -0.01 -0.59 0.04 0.00 -0.01 0.00 0.00 64.34 63.77 1ddm n VAL 197 Cb 0.18 -0.20 0.43 0.00 -0.91 0.00 0.00 33.84 33.34 1ddm n VAL 197 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1ddm n LEU 199 N -4.20 5.54 0.19 0.00 -0.00 -0.99 -4.55 117.00 112.99 1ddm n LEU 199 Ca -0.02 -3.66 0.03 0.00 -0.00 0.00 0.00 56.01 52.36 1ddm n LEU 199 Cb 0.33 -0.74 0.37 0.00 -0.00 0.00 0.00 43.42 43.37 1ddm n LEU 199 CO 0.38 1.13 0.72 -0.33 -0.00 0.00 0.00 177.39 179.28 1ddm h GLU 200 N 1.10 0.00 -0.02 1.47 4.39 -1.60 -3.51 114.58 116.42 1ddm h GLU 200 Ca 0.43 0.00 0.00 0.00 0.34 0.00 0.00 59.36 60.13 1ddm h GLU 200 Cb 2.30 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 30.95 1ddm h GLU 200 CO 0.76 0.38 0.00 -2.13 -1.16 0.00 0.00 179.01 176.86