#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ddm n GLN 68 N 0.00 0.04 0.20 1.57 1.13 -1.26 -4.81 117.38 114.24 1ddm n GLN 68 Ca 0.00 0.00 0.03 0.00 -1.94 0.00 0.00 57.00 55.09 1ddm n GLN 68 Cb 0.00 -0.61 0.39 0.00 0.11 0.00 0.00 30.24 30.14 1ddm n GLN 68 CO 0.00 0.00 0.00 -1.49 -1.44 0.00 0.00 177.06 174.13 1ddm h TRP 69 N 0.00 0.00 0.00 1.08 4.06 -2.04 -0.58 115.95 118.47 1ddm h TRP 69 Ca 0.00 -0.00 0.00 0.00 2.06 0.00 0.00 58.89 60.95 1ddm h TRP 69 Cb 0.22 -0.00 0.00 0.00 -1.00 0.00 0.00 29.16 28.38 1ddm h TRP 69 CO 0.00 0.32 0.00 1.04 -3.56 0.00 0.00 178.44 176.24 1ddm n GLN 70 N -4.16 0.04 0.00 0.49 1.13 -1.26 -1.23 117.38 112.39 1ddm n GLN 70 Ca -0.02 0.36 0.00 0.00 -1.94 0.00 0.00 57.00 55.40 1ddm n GLN 70 Cb 0.36 -1.60 0.00 0.00 0.11 0.00 0.00 30.24 29.12 1ddm n GLN 70 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1ddm n ALA 71 N -1.57 1.68 0.06 -1.58 0.00 -0.60 -4.51 120.51 114.00 1ddm n ALA 71 Ca 0.02 -0.69 0.02 0.00 0.00 0.00 0.00 53.44 52.79 1ddm n ALA 71 Cb 0.13 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.56 1ddm n ALA 71 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1ddm n ASP 72 N -0.24 2.71 -0.00 0.00 9.92 -0.33 -4.06 116.55 124.56 1ddm n ASP 72 Ca 0.00 -0.21 0.08 0.00 -0.53 0.00 0.00 54.79 54.13 1ddm n ASP 72 Cb 0.25 1.11 -0.11 0.00 -0.64 0.00 0.00 41.12 41.74 1ddm n ASP 72 CO 0.00 0.00 0.00 -0.62 0.13 0.00 0.00 177.20 176.71 1ddm n GLU 73 N -1.43 1.24 -0.00 -1.24 -0.58 -0.37 -4.41 120.64 113.85 1ddm n GLU 73 Ca -0.00 -0.06 0.06 0.00 -0.42 0.00 0.00 57.16 56.73 1ddm n GLU 73 Cb 0.08 -1.31 -0.08 0.00 -0.57 0.00 0.00 31.44 29.57 1ddm n GLU 73 CO 0.00 0.00 0.00 -1.91 -0.48 0.00 0.00 177.13 174.74 1ddm n GLU 74 N -1.65 1.93 0.03 3.49 4.07 -1.26 -4.46 120.64 122.79 1ddm n GLU 74 Ca 0.01 -0.05 -0.13 0.00 -0.06 0.00 0.00 57.16 56.93 1ddm n GLU 74 Cb 0.32 -1.15 -0.09 0.00 -0.06 0.00 0.00 31.44 30.47 1ddm n GLU 74 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 1ddm h ALA 75 N 1.36 -0.07 -0.52 4.31 0.00 -1.77 -2.04 119.26 120.53 1ddm h ALA 75 Ca 0.00 -0.18 0.01 0.00 0.00 0.00 0.00 54.91 54.74 1ddm h ALA 75 Cb 0.39 0.03 -0.03 0.00 0.00 0.00 0.00 17.79 18.18 1ddm h ALA 75 CO 0.00 -0.37 0.34 0.28 0.00 0.00 0.00 179.25 179.51 1ddm h VAL 76 N -0.42 1.12 -0.94 0.00 2.07 -1.78 -2.05 116.25 114.25 1ddm h VAL 76 Ca -0.01 -0.24 0.05 0.00 0.82 0.00 0.00 66.70 67.33 1ddm h VAL 76 Cb 0.37 0.37 -0.06 0.00 -1.52 0.00 0.00 31.29 30.45 1ddm h VAL 76 CO 0.01 0.13 0.61 0.03 0.02 0.00 0.00 177.57 178.37 1ddm h ARG 77 N 0.70 1.10 0.00 1.57 3.08 -1.77 -1.92 114.38 117.13 1ddm h ARG 77 Ca 0.19 -0.07 0.00 0.00 0.07 0.00 0.00 59.98 60.18 1ddm h ARG 77 Cb -0.07 -0.25 0.00 0.00 0.08 0.00 0.00 29.97 29.73 1ddm h ARG 77 CO -0.05 0.73 0.00 0.43 -1.07 0.00 0.00 179.97 180.01 1ddm n SER 78 N -4.47 0.00 -0.66 7.04 7.64 -0.77 -4.80 113.62 117.61 1ddm n SER 78 Ca 0.14 0.00 -0.01 0.00 1.01 0.00 0.00 58.87 60.01 1ddm n SER 78 Cb 0.15 0.00 -0.01 0.00 -1.01 0.00 0.00 64.21 63.35 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 -1.00 -3.15 -0.43 0.00 -0.88 -4.69 120.51 107.36 1ddm n ALA 79 Ca 0.00 -0.08 0.05 0.00 0.00 0.00 0.00 53.44 53.42 1ddm n ALA 79 Cb 0.00 -0.29 -0.00 0.00 0.00 0.00 0.00 19.45 19.16 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 0.00 -0.41 0.00 0.00 -1.32 -0.96 -4.51 115.64 108.43 1ddm s THR 80 Ca 0.00 0.00 0.00 0.00 -1.21 0.00 0.00 61.69 60.48 1ddm s THR 80 Cb 0.00 -0.42 0.00 0.00 -1.51 0.00 0.00 72.50 70.57 1ddm s THR 80 CO -0.00 0.00 0.00 0.00 -2.21 0.00 0.00 174.62 172.41 1ddm n SER 82 N 0.00 -1.48 -0.62 0.00 2.88 -1.26 -2.77 113.62 110.37 1ddm n SER 82 Ca 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.54 1ddm n SER 82 Cb 0.00 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.46 1ddm n SER 82 CO 0.00 0.00 0.00 0.49 -1.23 0.00 0.00 175.04 174.30 1ddm n PHE 83 N 0.00 -0.59 -1.35 0.66 3.72 -1.00 -4.88 117.46 114.01 1ddm n PHE 83 Ca 0.00 0.00 -0.38 0.00 -0.05 0.00 0.00 57.45 57.02 1ddm n PHE 83 Cb 0.00 0.00 0.04 0.00 -0.94 0.00 0.00 39.48 38.58 1ddm n PHE 83 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 176.76 177.16 1ddm n SER 84 N -0.67 -1.94 -0.96 4.37 2.88 -1.26 -1.37 113.62 114.66 1ddm n SER 84 Ca 0.00 0.67 0.00 0.00 -1.33 0.00 0.00 58.87 58.21 1ddm n SER 84 Cb 0.00 -1.08 0.00 0.00 -0.75 0.00 0.00 64.21 62.38 1ddm n SER 84 CO 0.00 0.00 0.00 1.33 -1.23 0.00 0.00 175.04 175.14 1ddm n VAL 85 N -1.80 0.00 -2.93 2.46 0.24 -0.60 -3.12 118.33 112.57 1ddm n VAL 85 Ca 0.10 0.00 -0.14 0.00 -2.04 0.00 0.00 64.34 62.26 1ddm n VAL 85 Cb 0.48 0.00 -0.00 0.00 -1.47 0.00 0.00 33.84 32.85 1ddm n VAL 85 CO 0.00 0.00 0.00 1.17 -2.14 0.00 0.00 176.83 175.86 1ddm n LYS 86 N 0.00 0.69 -1.55 7.34 4.81 -0.03 -4.08 118.16 125.34 1ddm n LYS 86 Ca 0.00 -2.33 -0.46 0.00 -0.87 0.00 0.00 58.31 54.65 1ddm n LYS 86 Cb 0.00 -1.40 -0.05 0.00 0.02 0.00 0.00 35.03 33.60 1ddm n LYS 86 CO 0.00 0.00 0.00 0.98 1.17 0.00 0.00 177.40 179.55 1ddm n TYR 87 N 1.82 1.87 0.00 5.64 9.36 -1.24 -2.77 117.16 131.84 1ddm n TYR 87 Ca 0.15 0.03 0.00 0.00 3.32 0.00 0.00 57.90 61.40 1ddm n TYR 87 Cb 0.58 -2.65 0.00 0.00 -0.63 0.00 0.00 39.34 36.64 1ddm n TYR 87 CO 0.00 0.00 0.00 1.28 0.22 0.00 0.00 176.86 178.36 1ddm n LEU 88 N 10.44 1.57 0.00 2.98 4.77 -0.95 -1.12 117.00 134.69 1ddm n LEU 88 Ca 0.33 0.24 0.00 0.00 -0.03 0.00 0.00 56.01 56.55 1ddm n LEU 88 Cb 0.35 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.44 1ddm n LEU 88 CO 0.71 0.00 0.00 0.61 -1.33 0.00 0.00 177.39 177.38 1ddm n GLY 89 N 1.08 0.84 3.47 -0.72 0.00 -1.23 -3.76 105.19 104.87 1ddm n GLY 89 Ca 0.00 0.33 -0.12 0.00 0.00 0.00 0.00 46.02 46.22 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 0.58 0.61 0.42 0.00 -7.23 -0.76 -5.02 120.40 109.00 1ddm s VAL 91 Ca -0.02 -1.74 -0.23 0.00 -1.81 0.00 0.00 61.98 58.18 1ddm s VAL 91 Cb -0.05 -1.43 -0.09 0.00 0.56 0.00 0.00 36.38 35.37 1ddm s VAL 91 CO -0.03 -0.78 1.03 -1.83 -0.31 0.00 0.00 175.10 173.18 1ddm s GLU 92 N -3.36 4.12 0.22 4.82 -1.05 -1.26 -1.82 118.70 120.37 1ddm s GLU 92 Ca 0.07 1.44 0.04 0.00 -0.15 0.00 0.00 54.97 56.37 1ddm s GLU 92 Cb 0.02 -2.43 -0.02 0.00 -0.44 0.00 0.00 34.13 31.26 1ddm s GLU 92 CO -0.04 -0.17 0.15 1.33 0.95 0.00 0.00 175.26 177.48 1ddm n VAL 93 N -0.27 0.00 -3.05 1.83 0.24 -1.25 -4.83 118.33 110.99 1ddm n VAL 93 Ca 0.06 -1.51 -0.17 0.00 -2.04 0.00 0.00 64.34 60.67 1ddm n VAL 93 Cb 0.51 0.70 -0.01 0.00 -1.47 0.00 0.00 33.84 33.56 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 -0.44 -1.00 0.01 6.34 7.35 -1.26 -4.77 117.46 123.69 1ddm n PHE 94 Ca 0.03 -3.17 0.00 0.00 -0.76 0.00 0.00 57.45 53.55 1ddm n PHE 94 Cb 0.38 0.21 0.00 0.00 0.35 0.00 0.00 39.48 40.42 1ddm n PHE 94 CO 0.00 0.00 0.00 -1.91 -0.76 0.00 0.00 176.76 174.09 1ddm n GLU 95 N 0.88 0.00 -1.54 -4.13 4.07 -1.26 -5.00 120.64 113.65 1ddm n GLU 95 Ca 0.18 0.00 -0.19 0.00 -0.06 0.00 0.00 57.16 57.10 1ddm n GLU 95 Cb 0.62 0.00 -0.08 0.00 -0.06 0.00 0.00 31.44 31.92 1ddm n GLU 95 CO 0.00 0.00 0.00 0.43 -0.06 0.00 0.00 177.13 177.50 1ddm n SER 96 N -2.02 -5.14 -3.69 4.31 7.64 -1.26 -4.93 113.62 108.53 1ddm n SER 96 Ca 0.00 0.46 -0.12 0.00 1.01 0.00 0.00 58.87 60.22 1ddm n SER 96 Cb 0.00 -4.51 -0.13 0.00 -1.01 0.00 0.00 64.21 58.56 1ddm n SER 96 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1ddm s ARG 97 N -3.58 0.20 0.00 1.43 1.70 -1.26 -4.94 118.95 112.50 1ddm s ARG 97 Ca 0.00 0.67 0.00 0.00 -0.47 0.00 0.00 55.73 55.93 1ddm s ARG 97 Cb 0.00 -0.06 0.00 0.00 -0.57 0.00 0.00 34.95 34.32 1ddm s ARG 97 CO 0.00 -0.22 0.00 0.41 -1.08 0.00 0.00 175.30 174.41 1ddm n GLY 98 N 4.75 0.90 0.00 3.88 0.00 -1.26 -4.85 105.19 108.61 1ddm n GLY 98 Ca -0.16 -0.80 0.00 0.00 0.00 0.00 0.00 46.02 45.05 1ddm n GLY 98 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 173.32 173.19 1ddm n MET 99 N 0.00 0.00 0.00 1.61 1.56 -1.26 -4.94 117.12 114.09 1ddm n MET 99 Ca 0.00 0.00 0.12 0.00 -0.27 0.00 0.00 57.70 57.55 1ddm n MET 99 Cb 0.00 0.00 0.52 0.00 2.15 0.00 0.00 33.22 35.89 1ddm n MET 99 CO 0.00 0.00 0.00 0.00 -0.73 0.00 0.00 175.97 175.24 1ddm n GLN 100 N -0.40 0.02 0.27 2.12 10.64 -1.26 -3.08 117.38 125.69 1ddm n GLN 100 Ca 0.00 0.08 0.15 0.00 -1.83 0.00 0.00 57.00 55.40 1ddm n GLN 100 Cb 0.00 -1.50 0.74 0.00 -0.86 0.00 0.00 30.24 28.62 1ddm n GLN 100 CO 0.00 0.00 0.00 0.28 -1.83 0.00 0.00 177.06 175.51 1ddm h VAL 101 N 0.00 0.35 0.07 -0.39 2.07 -1.92 -2.64 116.25 113.79 1ddm h VAL 101 Ca 0.00 -0.56 -0.30 0.00 0.82 0.00 0.00 66.70 66.66 1ddm h VAL 101 Cb 0.41 1.41 -0.03 0.00 -1.52 0.00 0.00 31.29 31.56 1ddm h VAL 101 CO 0.00 0.09 -1.64 0.00 0.02 0.00 0.00 177.57 176.04 1ddm h GLU 103 N 0.04 0.00 0.00 0.00 5.08 -1.61 -1.57 114.58 116.52 1ddm h GLU 103 Ca -0.27 0.00 -0.40 0.00 -1.00 0.00 0.00 59.36 57.68 1ddm h GLU 103 Cb 2.00 0.00 -0.06 0.00 0.50 0.00 0.00 28.75 31.19 1ddm h GLU 103 CO 0.11 0.00 -2.23 0.39 -1.00 0.00 0.00 179.01 176.28 1ddm n GLU 104 N -2.40 0.60 -0.03 2.33 1.02 -1.17 -4.19 120.64 116.80 1ddm n GLU 104 Ca -0.00 0.32 0.06 0.00 -0.02 0.00 0.00 57.16 57.52 1ddm n GLU 104 Cb 0.12 -1.56 0.43 0.00 -0.02 0.00 0.00 31.44 30.41 1ddm n GLU 104 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1ddm h ALA 105 N -0.75 1.76 0.00 0.62 0.00 -1.43 -0.73 119.26 118.73 1ddm h ALA 105 Ca -0.61 -0.03 -0.05 0.00 0.00 0.00 0.00 54.91 54.23 1ddm h ALA 105 Cb 1.59 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 19.22 1ddm h ALA 105 CO -0.33 0.19 -0.23 1.25 0.00 0.00 0.00 179.25 180.13 1ddm h LEU 106 N 0.55 0.00 0.01 0.00 5.85 -1.50 -2.11 115.31 118.11 1ddm h LEU 106 Ca 0.19 0.00 -0.11 0.00 0.84 0.00 0.00 57.88 58.80 1ddm h LEU 106 Cb 0.07 0.00 0.01 0.00 0.37 0.00 0.00 40.66 41.11 1ddm h LEU 106 CO -0.05 0.23 -0.43 0.50 -0.34 0.00 0.00 178.44 178.35 1ddm h LYS 107 N 0.00 0.28 -0.80 1.25 3.64 -1.32 -3.00 116.57 116.63 1ddm h LYS 107 Ca -0.00 -0.31 0.02 0.00 -1.27 0.00 0.00 60.65 59.09 1ddm h LYS 107 Cb 0.41 0.09 -0.04 0.00 -0.41 0.00 0.00 32.23 32.28 1ddm h LYS 107 CO 0.03 1.02 0.53 0.28 -2.27 0.00 0.00 179.45 179.04 1ddm h VAL 108 N -0.33 1.16 0.00 2.00 2.07 -1.24 -1.14 116.25 118.77 1ddm h VAL 108 Ca -0.06 -0.35 -0.07 0.00 0.82 0.00 0.00 66.70 67.04 1ddm h VAL 108 Cb 1.18 0.05 -0.01 0.00 -1.52 0.00 0.00 31.29 30.98 1ddm h VAL 108 CO 0.08 0.19 -0.35 -0.07 0.02 0.00 0.00 177.57 177.44 1ddm h LEU 109 N 1.02 0.00 -0.01 2.57 3.38 -1.45 -1.26 115.31 119.57 1ddm h LEU 109 Ca 0.31 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.28 1ddm h LEU 109 Cb -0.03 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.72 1ddm h LEU 109 CO -0.08 0.35 -0.13 -1.14 0.09 0.00 0.00 178.44 177.54 1ddm n ARG 110 N -3.65 0.04 -0.02 1.13 0.00 -0.49 -2.27 116.66 111.41 1ddm n ARG 110 Ca -0.01 -0.01 0.03 0.00 -0.00 0.00 0.00 57.85 57.86 1ddm n ARG 110 Cb 0.46 -1.50 0.04 0.00 0.00 0.00 0.00 32.46 31.46 1ddm n ARG 110 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.63 178.67 1ddm n GLN 111 N -1.47 0.40 -0.00 -0.14 6.02 -0.87 -4.57 117.38 116.74 1ddm n GLN 111 Ca 0.07 -1.03 0.01 0.00 -0.01 0.00 0.00 57.00 56.04 1ddm n GLN 111 Cb 0.33 -1.12 -0.01 0.00 1.02 0.00 0.00 30.24 30.46 1ddm n GLN 111 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 177.06 176.50 1ddm n SER 112 N 0.29 3.80 -3.28 1.08 2.88 -0.53 -5.06 113.62 112.81 1ddm n SER 112 Ca 0.04 -0.09 -0.08 0.00 -1.33 0.00 0.00 58.87 57.41 1ddm n SER 112 Cb 0.19 1.08 0.00 0.00 -0.75 0.00 0.00 64.21 64.73 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 -1.48 -1.40 -0.88 -1.46 3.00 -0.96 -4.84 116.66 108.64 1ddm n ARG 113 Ca -0.00 1.26 -0.12 0.00 -0.01 0.00 0.00 57.85 58.98 1ddm n ARG 113 Cb 0.05 -4.80 -0.03 0.00 0.00 0.00 0.00 32.46 27.68 1ddm n ARG 113 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.63 178.17 1ddm n ARG 114 N -2.10 1.67 -2.68 5.56 5.12 -1.25 -4.83 116.66 118.15 1ddm n ARG 114 Ca -0.09 -1.06 -0.01 0.00 -1.93 0.00 0.00 57.85 54.76 1ddm n ARG 114 Cb 0.56 -1.57 -0.00 0.00 -1.16 0.00 0.00 32.46 30.29 1ddm n ARG 114 CO 0.00 0.00 0.00 -2.13 -1.93 0.00 0.00 177.63 173.57 1ddm n ARG 115 N 1.21 -3.56 -1.50 5.56 0.63 -1.25 -4.07 116.66 113.68 1ddm n ARG 115 Ca 0.26 2.83 -0.30 0.00 -0.92 0.00 0.00 57.85 59.71 1ddm n ARG 115 Cb 0.61 -5.29 0.08 0.00 0.45 0.00 0.00 32.46 28.32 1ddm n ARG 115 CO 0.00 0.00 0.00 -1.25 -2.51 0.00 0.00 177.63 173.87 1ddm s PRO 116 N -1.51 2.23 0.24 -0.14 0.04 -1.25 -4.58 135.00 130.04 1ddm s PRO 116 Ca -0.03 0.78 0.09 0.00 0.04 0.00 0.00 61.00 61.88 1ddm s PRO 116 Cb 0.00 -1.92 -0.05 0.00 0.04 0.00 0.00 34.50 32.57 1ddm s PRO 116 CO 0.77 -1.55 -0.14 0.08 0.04 0.00 0.00 177.00 176.20 1ddm s VAL 117 N -3.08 1.94 -0.55 -0.36 1.01 -0.28 -4.92 120.40 114.16 1ddm s VAL 117 Ca 0.60 -2.25 0.05 0.00 0.00 0.00 0.00 61.98 60.38 1ddm s VAL 117 Cb -0.15 -2.20 0.17 0.00 0.00 0.00 0.00 36.38 34.21 1ddm s VAL 117 CO 0.55 -0.48 0.42 -1.14 0.00 0.00 0.00 175.10 174.45 1ddm n ARG 118 N -0.49 0.98 -3.01 2.72 3.00 -1.26 -3.66 116.66 114.95 1ddm n ARG 118 Ca -0.07 -3.79 -0.10 0.00 -0.00 0.00 0.00 57.85 53.89 1ddm n ARG 118 Cb 0.61 -1.94 -0.03 0.00 0.00 0.00 0.00 32.46 31.09 1ddm n ARG 118 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 1ddm n GLY 119 N 2.36 3.64 3.58 5.14 0.00 -1.26 -1.38 105.19 117.28 1ddm n GLY 119 Ca 0.25 -1.89 -0.37 0.00 0.00 0.00 0.00 46.02 44.02 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 3.88 -0.17 0.99 1.98 0.07 -1.56 118.68 123.87 1ddm s LEU 120 Ca 0.13 -0.01 -0.23 0.00 -2.89 0.00 0.00 54.13 51.13 1ddm s LEU 120 Cb 0.01 -2.05 -0.02 0.00 0.66 0.00 0.00 46.19 44.79 1ddm s LEU 120 CO 0.09 0.02 0.73 -0.22 -1.89 0.00 0.00 176.35 175.09 1ddm s LEU 121 N 1.31 4.17 -0.62 -0.68 2.96 -0.47 -2.03 118.68 123.32 1ddm s LEU 121 Ca 0.06 1.03 -0.03 0.00 -0.22 0.00 0.00 54.13 54.98 1ddm s LEU 121 Cb -0.15 -3.08 0.16 0.00 0.50 0.00 0.00 46.19 43.63 1ddm s LEU 121 CO 0.06 -0.32 0.43 -1.00 -1.32 0.00 0.00 176.35 174.20 1ddm s HIS 122 N 1.93 3.40 -0.73 5.38 3.76 -0.26 -2.37 115.29 126.39 1ddm s HIS 122 Ca 0.34 -2.73 -0.26 0.00 -0.15 0.00 0.00 55.06 52.26 1ddm s HIS 122 Cb -0.16 -3.19 -0.06 0.00 1.11 0.00 0.00 32.58 30.28 1ddm s HIS 122 CO 0.12 -0.84 2.09 0.08 -0.85 0.00 0.00 174.74 175.34 1ddm s VAL 123 N -0.07 3.26 0.05 -0.90 1.01 -1.12 -2.96 120.40 119.67 1ddm s VAL 123 Ca 0.17 -0.08 -0.16 0.00 0.00 0.00 0.00 61.98 61.92 1ddm s VAL 123 Cb -0.20 -3.63 -0.06 0.00 0.00 0.00 0.00 36.38 32.49 1ddm s VAL 123 CO -0.03 -0.60 0.47 -0.94 0.00 0.00 0.00 175.10 174.00 1ddm s SER 124 N 9.30 6.87 0.00 3.32 1.04 -1.26 -2.44 113.70 130.53 1ddm s SER 124 Ca 0.78 1.05 0.00 0.00 0.48 0.00 0.00 55.95 58.26 1ddm s SER 124 Cb -0.11 -2.28 0.00 0.00 0.10 0.00 0.00 66.02 63.73 1ddm s SER 124 CO 0.11 0.27 1.25 0.61 0.98 0.00 0.00 173.24 176.46 1ddm n GLY 125 N 1.58 1.95 0.30 7.32 0.00 -0.72 -2.60 105.19 113.02 1ddm n GLY 125 Ca -0.11 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.91 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 1.01 0.00 0.00 1.61 2.03 -1.26 -4.26 116.55 115.68 1ddm n ASP 126 Ca 0.00 -0.68 0.00 0.00 0.52 0.00 0.00 54.79 54.63 1ddm n ASP 126 Cb 0.43 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.83 1ddm n ASP 126 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1ddm n GLY 127 N 0.00 2.84 3.75 0.27 0.00 -1.07 -4.82 105.19 106.16 1ddm n GLY 127 Ca 0.00 -0.19 -0.41 0.00 0.00 0.00 0.00 46.02 45.42 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 4.43 -0.01 0.99 1.43 -1.17 -4.12 118.68 120.23 1ddm s LEU 128 Ca 0.00 2.47 0.01 0.00 -1.03 0.00 0.00 54.13 55.59 1ddm s LEU 128 Cb 0.00 -3.62 0.00 0.00 0.03 0.00 0.00 46.19 42.60 1ddm s LEU 128 CO 0.00 -0.51 -0.05 0.00 0.23 0.00 0.00 176.35 176.02 1ddm s ARG 129 N -0.60 0.48 -0.20 1.70 1.04 -1.16 -3.57 118.95 116.64 1ddm s ARG 129 Ca 0.54 -0.16 0.01 0.00 -1.04 0.00 0.00 55.73 55.09 1ddm s ARG 129 Cb -0.37 -0.49 0.02 0.00 -2.04 0.00 0.00 34.95 32.07 1ddm s ARG 129 CO 0.42 0.07 -0.18 0.08 -0.04 0.00 0.00 175.30 175.65 1ddm s VAL 130 N 0.13 2.16 -0.28 4.99 1.01 -0.94 -1.11 120.40 126.37 1ddm s VAL 130 Ca -0.01 -1.02 -0.08 0.00 0.00 0.00 0.00 61.98 60.88 1ddm s VAL 130 Cb -0.05 -1.97 -0.01 0.00 0.00 0.00 0.00 36.38 34.35 1ddm s VAL 130 CO -0.00 0.45 0.09 -0.69 0.00 0.00 0.00 175.10 174.94 1ddm s VAL 131 N 1.27 4.22 0.44 2.92 1.01 -0.86 -2.33 120.40 127.07 1ddm s VAL 131 Ca 0.03 -0.42 -0.23 0.00 0.00 0.00 0.00 61.98 61.36 1ddm s VAL 131 Cb -0.14 -3.08 -0.10 0.00 0.00 0.00 0.00 36.38 33.06 1ddm s VAL 131 CO -0.11 0.19 0.88 0.47 0.00 0.00 0.00 175.10 176.53 1ddm n ASP 132 N 4.91 0.64 -1.59 3.32 9.92 -1.26 -0.76 116.55 131.73 1ddm n ASP 132 Ca -0.15 0.97 0.09 0.00 -0.53 0.00 0.00 54.79 55.17 1ddm n ASP 132 Cb 0.50 -1.30 0.35 0.00 -0.64 0.00 0.00 41.12 40.03 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 0.54 4.73 0.00 -2.24 2.03 -0.48 -1.37 116.55 119.77 1ddm n ASP 133 Ca 0.10 -2.49 0.00 0.00 0.52 0.00 0.00 54.79 52.93 1ddm n ASP 133 Cb 0.40 -0.59 0.00 0.00 -0.72 0.00 0.00 41.12 40.22 1ddm n ASP 133 CO 0.00 0.00 0.00 1.21 -1.92 0.00 0.00 177.20 176.49 1ddm n GLU 134 N 1.03 0.79 0.00 -0.67 2.13 -1.26 -4.83 120.64 117.83 1ddm n GLU 134 Ca 0.25 -0.05 0.00 0.00 0.66 0.00 0.00 57.16 58.03 1ddm n GLU 134 Cb 0.90 -0.32 0.00 0.00 0.27 0.00 0.00 31.44 32.29 1ddm n GLU 134 CO 0.00 0.00 0.00 0.25 -0.41 0.00 0.00 177.13 176.97 1ddm n THR 135 N -0.13 0.00 -3.99 6.31 -2.24 -1.26 -5.03 114.28 107.94 1ddm n THR 135 Ca 0.00 0.00 -0.30 0.00 -2.27 0.00 0.00 64.05 61.48 1ddm n THR 135 Cb 0.08 0.55 0.00 0.00 -2.10 0.00 0.00 70.33 68.87 1ddm n THR 135 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 1ddm n LYS 136 N 0.00 -4.44 0.00 -0.78 4.76 -0.47 -4.94 118.16 112.29 1ddm n LYS 136 Ca 0.00 0.50 0.00 0.00 -2.87 0.00 0.00 58.31 55.94 1ddm n LYS 136 Cb 0.00 -5.20 0.00 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 -1.63 0.57 3.59 0.72 0.00 -1.26 -4.80 105.19 102.38 1ddm n GLY 137 Ca -0.03 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 45.98 1ddm n GLY 137 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1ddm s LEU 138 N 0.00 -0.42 -0.07 0.99 2.96 -1.26 -4.30 118.68 116.58 1ddm s LEU 138 Ca 0.00 0.65 0.01 0.00 -0.22 0.00 0.00 54.13 54.56 1ddm s LEU 138 Cb 0.00 1.58 -0.05 0.00 0.50 0.00 0.00 46.19 48.23 1ddm s LEU 138 CO 0.00 -0.10 -0.06 2.30 -1.32 0.00 0.00 176.35 177.17 1ddm n ILE 139 N 3.81 0.40 -3.98 6.68 -5.35 -0.98 -4.96 119.36 114.98 1ddm n ILE 139 Ca -0.16 -0.15 -0.31 0.00 -0.27 0.00 0.00 62.75 61.85 1ddm n ILE 139 Cb 0.56 -0.75 -0.15 0.00 -1.74 0.00 0.00 39.64 37.57 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 -2.14 1.90 -0.29 7.28 1.01 -1.26 -4.95 120.40 121.94 1ddm s VAL 140 Ca -0.09 -1.76 0.09 0.00 0.00 0.00 0.00 61.98 60.22 1ddm s VAL 140 Cb 0.02 -2.23 0.52 0.00 0.00 0.00 0.00 36.38 34.69 1ddm s VAL 140 CO 0.16 -0.33 1.49 -0.67 0.00 0.00 0.00 175.10 175.75 1ddm n ASP 141 N 4.47 2.71 -3.26 3.32 2.03 -1.26 -2.21 116.55 122.36 1ddm n ASP 141 Ca -0.06 -3.68 -0.21 0.00 0.52 0.00 0.00 54.79 51.36 1ddm n ASP 141 Cb 0.43 -0.64 0.18 0.00 -0.72 0.00 0.00 41.12 40.36 1ddm n ASP 141 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1ddm n GLN 142 N -1.06 -2.38 -4.28 -0.67 6.02 -1.23 -4.92 117.38 108.86 1ddm n GLN 142 Ca 0.34 -1.27 -0.18 0.00 -0.01 0.00 0.00 57.00 55.88 1ddm n GLN 142 Cb 1.06 -1.15 -0.11 0.00 1.02 0.00 0.00 30.24 31.07 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 -2.48 1.47 0.03 5.09 2.01 -1.26 -3.05 115.64 117.45 1ddm s THR 143 Ca 0.51 -1.92 -0.23 0.00 0.31 0.00 0.00 61.69 60.36 1ddm s THR 143 Cb -0.05 -1.75 -0.16 0.00 0.01 0.00 0.00 72.50 70.56 1ddm s THR 143 CO 0.39 -0.49 1.40 0.40 -0.69 0.00 0.00 174.62 175.62 1ddm h ILE 144 N 3.14 1.30 0.00 1.82 2.04 -1.90 -2.35 117.51 121.56 1ddm h ILE 144 Ca -0.39 -0.97 0.00 0.00 1.00 0.00 0.00 64.86 64.50 1ddm h ILE 144 Cb 1.20 1.80 0.00 0.00 -0.74 0.00 0.00 36.82 39.08 1ddm h ILE 144 CO 0.55 0.27 0.00 1.05 0.00 0.00 0.00 178.15 180.02 1ddm h GLU 145 N -0.20 0.00 0.11 2.37 -0.00 -1.97 -3.20 114.58 111.70 1ddm h GLU 145 Ca 0.02 0.00 -0.01 0.00 -0.00 0.00 0.00 59.36 59.37 1ddm h GLU 145 Cb 0.44 0.00 0.00 0.00 -0.00 0.00 0.00 28.75 29.19 1ddm h GLU 145 CO 0.01 0.00 -0.05 -0.22 -0.00 0.00 0.00 179.01 178.74 1ddm h LYS 146 N 0.00 -0.15 -6.96 1.06 3.64 -1.92 -3.45 116.57 108.79 1ddm h LYS 146 Ca 0.00 0.01 -0.52 0.00 -1.27 0.00 0.00 60.65 58.87 1ddm h LYS 146 Cb 0.53 0.03 0.07 0.00 -0.41 0.00 0.00 32.23 32.45 1ddm h LYS 146 CO 0.00 0.35 0.54 0.14 -2.27 0.00 0.00 179.45 178.21 1ddm s VAL 147 N -3.22 2.89 0.14 2.00 -7.23 -0.90 -4.88 120.40 109.21 1ddm s VAL 147 Ca -0.13 0.75 -0.30 0.00 -1.81 0.00 0.00 61.98 60.49 1ddm s VAL 147 Cb 0.00 -3.42 -0.05 0.00 0.56 0.00 0.00 36.38 33.48 1ddm s VAL 147 CO 0.50 0.06 1.56 -1.28 -0.31 0.00 0.00 175.10 175.63 1ddm h SER 148 N 2.46 -1.61 -3.81 4.85 0.87 -1.24 -3.46 113.55 111.60 1ddm h SER 148 Ca -0.49 0.23 0.16 0.00 -1.23 0.00 0.00 61.79 60.46 1ddm h SER 148 Cb 1.25 0.68 -0.24 0.00 -0.44 0.00 0.00 62.40 63.65 1ddm h SER 148 CO 0.62 -0.39 0.72 0.72 -0.53 0.00 0.00 176.83 177.97 1ddm s PHE 149 N -5.77 -0.22 -0.38 2.24 -0.12 -1.26 -5.04 117.98 107.43 1ddm s PHE 149 Ca -0.15 0.34 -0.20 0.00 -0.05 0.00 0.00 56.93 56.87 1ddm s PHE 149 Cb 0.10 0.48 0.01 0.00 -0.63 0.00 0.00 43.02 42.98 1ddm s PHE 149 CO 0.64 -0.23 0.62 0.00 -0.05 0.00 0.00 175.22 176.20 1ddm s ALA 151 N 2.70 2.85 0.00 0.00 0.00 -1.00 -5.03 121.76 121.28 1ddm s ALA 151 Ca 0.23 -2.58 0.00 0.00 0.00 0.00 0.00 51.96 49.61 1ddm s ALA 151 Cb -0.14 -1.97 0.00 0.00 0.00 0.00 0.00 23.12 21.00 1ddm s ALA 151 CO 0.16 -1.74 0.00 -2.30 0.00 0.00 0.00 175.76 171.88 1ddm n PRO 152 N 4.13 0.00 0.00 0.00 -0.02 -1.26 -2.99 135.00 134.86 1ddm n PRO 152 Ca 0.04 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.52 1ddm n PRO 152 Cb 0.41 -0.47 0.00 0.00 -0.02 0.00 0.00 33.50 33.42 1ddm n PRO 152 CO 0.00 0.00 0.00 -0.40 1.98 0.00 0.00 175.50 177.08 1ddm n ASP 153 N 0.00 0.01 -0.27 2.55 5.75 -1.24 -3.97 116.55 119.38 1ddm n ASP 153 Ca 0.00 0.00 0.01 0.00 -0.01 0.00 0.00 54.79 54.79 1ddm n ASP 153 Cb 0.00 0.00 0.02 0.00 -1.03 0.00 0.00 41.12 40.11 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 0.00 1.14 -3.62 0.11 1.74 -1.26 -4.86 116.66 109.91 1ddm n ARG 154 Ca 0.00 -0.16 -0.21 0.00 -0.77 0.00 0.00 57.85 56.71 1ddm n ARG 154 Cb 0.00 -1.23 0.06 0.00 -1.02 0.00 0.00 32.46 30.27 1ddm n ARG 154 CO 0.00 0.00 0.00 -1.71 -1.52 0.00 0.00 177.63 174.40 1ddm n ASN 155 N -0.22 -2.66 0.00 0.55 4.05 -1.26 -4.79 115.26 110.93 1ddm n ASN 155 Ca 0.01 -0.71 0.00 0.00 0.45 0.00 0.00 54.58 54.34 1ddm n ASN 155 Cb 0.14 -4.54 0.00 0.00 1.23 0.00 0.00 39.78 36.61 1ddm n ASN 155 CO 0.00 0.00 0.00 1.57 -3.05 0.00 0.00 177.26 175.78 1ddm n HIS 156 N -4.38 0.00 0.77 1.20 -0.00 -1.26 -4.88 115.22 106.67 1ddm n HIS 156 Ca -0.21 0.00 0.11 0.00 0.46 0.00 0.00 57.72 58.08 1ddm n HIS 156 Cb 0.64 0.00 0.48 0.00 -0.12 0.00 0.00 29.99 30.98 1ddm n HIS 156 CO 0.00 0.00 0.00 0.39 0.46 0.00 0.00 176.34 177.19 1ddm n GLU 157 N -1.34 0.01 -3.64 1.57 -0.58 -1.26 -4.91 120.64 110.48 1ddm n GLU 157 Ca 0.00 0.12 -0.21 0.00 -0.42 0.00 0.00 57.16 56.64 1ddm n GLU 157 Cb 0.00 -1.50 0.05 0.00 -0.57 0.00 0.00 31.44 29.42 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 -1.50 -5.77 -3.72 3.49 3.00 -1.26 -5.00 116.66 105.91 1ddm n ARG 158 Ca 0.05 0.70 -0.14 0.00 -0.01 0.00 0.00 57.85 58.46 1ddm n ARG 158 Cb 0.26 -5.48 -0.14 0.00 0.00 0.00 0.00 32.46 27.10 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 -4.14 -0.06 0.37 -0.13 0.00 -1.26 -3.59 107.32 98.51 1ddm s GLY 159 Ca 0.14 0.77 0.08 0.00 0.00 0.00 0.00 44.72 45.72 1ddm s GLY 159 CO 0.78 1.26 0.02 -1.36 0.00 0.00 0.00 173.10 173.81 1ddm s PHE 160 N 1.48 2.53 0.16 1.90 0.08 -0.89 -3.71 117.98 119.53 1ddm s PHE 160 Ca -0.06 -0.52 -0.21 0.00 0.12 0.00 0.00 56.93 56.26 1ddm s PHE 160 Cb -0.11 -1.60 0.05 0.00 -0.57 0.00 0.00 43.02 40.79 1ddm s PHE 160 CO -0.07 0.44 0.55 -1.12 -0.10 0.00 0.00 175.22 174.92 1ddm s SER 161 N -3.73 -0.43 0.02 1.36 0.01 -1.16 -1.78 113.70 107.99 1ddm s SER 161 Ca 0.35 -0.17 0.02 0.00 1.31 0.00 0.00 55.95 57.46 1ddm s SER 161 Cb 0.03 0.57 -0.01 0.00 0.21 0.00 0.00 66.02 66.82 1ddm s SER 161 CO 0.19 -0.97 -0.06 -0.72 0.41 0.00 0.00 173.24 172.09 1ddm s TYR 162 N -3.79 0.50 0.25 2.43 -0.85 -0.74 -2.38 117.35 112.77 1ddm s TYR 162 Ca 0.03 -0.32 0.09 0.00 -0.52 0.00 0.00 57.07 56.35 1ddm s TYR 162 Cb -0.01 -0.31 -0.04 0.00 0.38 0.00 0.00 41.96 41.98 1ddm s TYR 162 CO -0.10 -0.06 -0.01 0.42 -1.52 0.00 0.00 175.55 174.27 1ddm s ILE 163 N -0.85 3.45 0.03 -3.49 1.01 -1.26 -1.03 121.20 119.07 1ddm s ILE 163 Ca -0.06 -1.86 -0.11 0.00 0.00 0.00 0.00 60.65 58.63 1ddm s ILE 163 Cb -0.06 -2.83 0.01 0.00 0.01 0.00 0.00 42.46 39.59 1ddm s ILE 163 CO 0.00 -0.34 0.23 0.00 0.00 0.00 0.00 174.94 174.84 1ddm s ARG 165 N -2.19 3.12 2.13 0.00 0.52 -1.26 -2.54 118.95 118.73 1ddm s ARG 165 Ca -0.08 -0.76 0.00 0.00 -0.52 0.00 0.00 55.73 54.37 1ddm s ARG 165 Cb -0.03 -2.72 0.00 0.00 0.52 0.00 0.00 34.95 32.73 1ddm s ARG 165 CO -0.02 -0.21 0.00 -0.25 0.02 0.00 0.00 175.30 174.85 1ddm n ASP 166 N 4.68 -2.15 0.00 0.23 8.00 0.14 -4.83 116.55 122.62 1ddm n ASP 166 Ca -0.20 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.30 1ddm n ASP 166 Cb 0.50 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.60 1ddm n ASP 166 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1ddm n GLY 167 N 0.00 2.93 0.00 0.44 0.00 -1.26 -4.28 105.19 103.01 1ddm n GLY 167 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 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 0.00 2.61 5.66 -1.26 -4.94 114.28 114.35 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 -3.63 1.09 -1.04 -1.26 -5.04 114.28 104.40 1ddm n THR 169 Ca 0.00 0.00 -0.23 0.00 -2.04 0.00 0.00 64.05 61.78 1ddm n THR 169 Cb 0.14 0.10 0.07 0.00 -1.82 0.00 0.00 70.33 68.82 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 -0.37 -7.05 0.00 -2.82 1.74 -1.26 -4.85 116.66 102.05 1ddm n ARG 170 Ca 0.00 0.78 0.00 0.00 -0.77 0.00 0.00 57.85 57.86 1ddm n ARG 170 Cb 0.00 -5.76 0.00 0.00 -1.02 0.00 0.00 32.46 25.68 1ddm n ARG 170 CO 0.00 0.00 0.00 2.89 -1.52 0.00 0.00 177.63 179.00 1ddm n ARG 171 N -4.72 0.00 -4.64 5.56 1.85 -1.26 -4.84 116.66 108.61 1ddm n ARG 171 Ca -0.07 0.00 -0.34 0.00 -1.00 0.00 0.00 57.85 56.45 1ddm n ARG 171 Cb 0.59 0.00 -0.12 0.00 -1.05 0.00 0.00 32.46 31.87 1ddm n ARG 171 CO 0.00 0.00 0.00 -1.58 -0.01 0.00 0.00 177.63 176.04 1ddm s TRP 172 N 1.04 2.91 -0.25 2.89 0.51 -1.26 0.24 118.94 125.01 1ddm s TRP 172 Ca 0.00 -0.17 -0.15 0.00 -2.12 0.00 0.00 56.10 53.66 1ddm s TRP 172 Cb 0.00 -1.77 0.07 0.00 -0.81 0.00 0.00 33.47 30.96 1ddm s TRP 172 CO 0.00 0.15 0.62 -1.64 -0.51 0.00 0.00 176.95 175.57 1ddm s MET 173 N -0.37 0.64 -0.06 4.98 -1.94 -1.05 -3.87 119.30 117.62 1ddm s MET 173 Ca 0.05 1.11 0.05 0.00 -1.71 0.00 0.00 55.69 55.18 1ddm s MET 173 Cb -0.12 0.12 -0.02 0.00 2.01 0.00 0.00 34.83 36.81 1ddm s MET 173 CO 0.02 -0.15 -0.20 0.00 -0.01 0.00 0.00 175.02 174.68 1ddm s HIS 175 N -0.34 3.11 0.13 0.00 3.76 -0.20 -1.82 115.29 119.93 1ddm s HIS 175 Ca 0.02 0.02 0.06 0.00 -0.15 0.00 0.00 55.06 55.01 1ddm s HIS 175 Cb -0.12 -1.56 -0.04 0.00 1.11 0.00 0.00 32.58 31.96 1ddm s HIS 175 CO 0.02 0.51 -0.14 0.20 -0.85 0.00 0.00 174.74 174.49 1ddm s GLY 176 N -2.54 1.08 -0.17 -2.22 0.00 -1.21 -1.79 107.32 100.47 1ddm s GLY 176 Ca 0.29 -1.31 -0.27 0.00 0.00 0.00 0.00 44.72 43.43 1ddm s GLY 176 CO 0.21 -1.38 0.68 -0.11 0.00 0.00 0.00 173.10 172.50 1ddm s PHE 177 N -2.25 -0.71 0.52 1.90 -0.71 -0.73 -2.23 117.98 113.77 1ddm s PHE 177 Ca 0.10 1.54 0.06 0.00 -1.04 0.00 0.00 56.93 57.59 1ddm s PHE 177 Cb -0.04 0.31 0.03 0.00 -1.21 0.00 0.00 43.02 42.11 1ddm s PHE 177 CO 0.03 -0.46 0.41 -0.51 -1.34 0.00 0.00 175.22 173.35 1ddm s LEU 178 N -0.28 2.87 -0.16 -1.99 1.43 -1.12 -2.10 118.68 117.33 1ddm s LEU 178 Ca -0.05 -1.13 -0.03 0.00 -1.03 0.00 0.00 54.13 51.90 1ddm s LEU 178 Cb -0.03 -1.38 -0.02 0.00 0.03 0.00 0.00 46.19 44.79 1ddm s LEU 178 CO 0.05 -1.01 -0.07 0.00 0.23 0.00 0.00 176.35 175.55 1ddm s ALA 179 N -2.70 2.84 0.42 4.21 0.00 -1.24 -0.85 121.76 124.45 1ddm s ALA 179 Ca 0.39 -0.90 0.11 0.00 0.00 0.00 0.00 51.96 51.56 1ddm s ALA 179 Cb -0.02 -1.47 0.91 0.00 0.00 0.00 0.00 23.12 22.54 1ddm s ALA 179 CO 0.24 0.13 1.99 0.00 0.00 0.00 0.00 175.76 178.11 1ddm n LYS 181 N -4.36 0.61 0.00 0.00 5.02 -1.26 -5.04 118.16 113.12 1ddm n LYS 181 Ca -0.01 0.09 0.00 0.00 -2.02 0.00 0.00 58.31 56.38 1ddm n LYS 181 Cb 0.20 -1.80 0.00 0.00 -0.02 0.00 0.00 35.03 33.41 1ddm n LYS 181 CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63 1ddm n ASP 182 N -2.63 -1.94 0.00 4.39 8.00 -0.80 -4.82 116.55 118.76 1ddm n ASP 182 Ca -0.00 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.50 1ddm n ASP 182 Cb 0.55 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.65 1ddm n ASP 182 CO 0.00 0.00 0.00 -0.24 -0.39 0.00 0.00 177.20 176.57 1ddm n SER 183 N -3.13 0.00 -3.87 -2.24 2.88 -1.26 -4.10 113.62 101.89 1ddm n SER 183 Ca 0.00 0.00 -0.29 0.00 -1.33 0.00 0.00 58.87 57.25 1ddm n SER 183 Cb 0.00 -0.17 0.03 0.00 -0.75 0.00 0.00 64.21 63.33 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 -1.49 -0.50 0.00 0.46 0.00 -1.26 -4.84 105.19 97.56 1ddm n GLY 184 Ca 0.00 0.20 0.00 0.00 0.00 0.00 0.00 46.02 46.22 1ddm n GLY 184 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1ddm n GLU 185 N -4.73 5.05 -0.04 1.61 1.02 -1.26 -4.03 120.64 118.26 1ddm n GLU 185 Ca 0.04 0.00 0.03 0.00 -0.02 0.00 0.00 57.16 57.20 1ddm n GLU 185 Cb 0.53 -0.41 0.05 0.00 -0.02 0.00 0.00 31.44 31.59 1ddm n GLU 185 CO 0.00 0.00 0.00 2.89 1.18 0.00 0.00 177.13 181.20 1ddm n ARG 186 N -0.78 1.26 0.02 3.49 1.85 -1.26 -4.68 116.66 116.57 1ddm n ARG 186 Ca 0.00 -1.26 0.00 0.00 -1.00 0.00 0.00 57.85 55.59 1ddm n ARG 186 Cb 0.00 -1.11 0.00 0.00 -1.05 0.00 0.00 32.46 30.30 1ddm n ARG 186 CO 0.00 0.00 0.00 1.28 -0.01 0.00 0.00 177.63 178.90 1ddm n LEU 187 N 0.14 -0.11 0.30 2.89 4.32 -1.26 -3.61 117.00 119.68 1ddm n LEU 187 Ca 0.04 0.08 -0.15 0.00 -0.02 0.00 0.00 56.01 55.97 1ddm n LEU 187 Cb 0.23 0.19 -0.08 0.00 -1.62 0.00 0.00 43.42 42.14 1ddm n LEU 187 CO 0.03 -0.52 0.52 -1.28 -1.22 0.00 0.00 177.39 174.93 1ddm h SER 188 N 0.00 -1.03 0.13 -1.43 0.87 -1.88 -0.54 113.55 109.68 1ddm h SER 188 Ca 0.00 0.07 0.00 0.00 -1.23 0.00 0.00 61.79 60.63 1ddm h SER 188 Cb 0.00 0.31 0.00 0.00 -0.44 0.00 0.00 62.40 62.27 1ddm h SER 188 CO 0.00 -0.57 0.00 1.57 -0.53 0.00 0.00 176.83 177.30 1ddm n HIS 189 N -4.85 0.00 -0.09 2.24 -0.00 -1.26 -2.57 115.22 108.70 1ddm n HIS 189 Ca -0.11 0.00 -0.23 0.00 0.46 0.00 0.00 57.72 57.84 1ddm n HIS 189 Cb 0.39 -0.19 -0.12 0.00 -0.12 0.00 0.00 29.99 29.95 1ddm n HIS 189 CO 0.00 0.00 0.00 0.00 0.46 0.00 0.00 176.34 176.80 1ddm n ALA 190 N -1.19 0.92 0.27 1.57 0.00 -0.74 -4.24 120.51 117.11 1ddm n ALA 190 Ca 0.06 -0.66 0.17 0.00 0.00 0.00 0.00 53.44 53.01 1ddm n ALA 190 Cb 0.07 -0.43 0.64 0.00 0.00 0.00 0.00 19.45 19.72 1ddm n ALA 190 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 177.50 177.26 1ddm h VAL 191 N -0.72 0.01 0.00 0.00 3.04 -0.90 -2.78 116.25 114.90 1ddm h VAL 191 Ca -0.45 -0.56 0.00 0.00 -1.01 0.00 0.00 66.70 64.68 1ddm h VAL 191 Cb 1.55 1.56 0.00 0.00 -2.01 0.00 0.00 31.29 32.39 1ddm h VAL 191 CO -0.18 0.00 0.00 0.61 -1.01 0.00 0.00 177.57 176.99 1ddm n GLY 192 N 0.13 -0.75 0.12 3.17 0.00 -1.06 -1.91 105.19 104.88 1ddm n GLY 192 Ca 0.01 -0.08 0.04 0.00 0.00 0.00 0.00 46.02 45.99 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 1.36 -0.84 0.00 0.00 0.00 -1.47 -2.96 119.26 115.35 1ddm h ALA 194 Ca 0.00 -0.19 -0.04 0.00 0.00 0.00 0.00 54.91 54.68 1ddm h ALA 194 Cb 0.25 0.33 -0.01 0.00 0.00 0.00 0.00 17.79 18.36 1ddm h ALA 194 CO 0.00 -0.79 -0.19 0.27 0.00 0.00 0.00 179.25 178.53 1ddm h PHE 195 N -1.21 0.00 0.00 0.00 -0.00 -1.84 -1.51 116.94 112.38 1ddm h PHE 195 Ca -0.09 0.00 0.00 0.00 -0.00 0.00 0.00 57.97 57.88 1ddm h PHE 195 Cb 0.66 0.00 0.00 0.00 -0.00 0.00 0.00 35.95 36.61 1ddm h PHE 195 CO 0.00 0.19 0.00 0.00 -0.00 0.00 0.00 178.31 178.51 1ddm h ALA 196 N 1.81 1.00 0.00 12.09 0.00 -1.76 -2.34 119.26 130.05 1ddm h ALA 196 Ca -0.00 0.00 -0.17 0.00 0.00 0.00 0.00 54.91 54.74 1ddm h ALA 196 Cb 0.43 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.19 1ddm h ALA 196 CO 0.03 0.00 -1.89 0.28 0.00 0.00 0.00 179.25 177.66 1ddm n VAL 197 N -2.91 0.62 0.82 0.00 0.31 -0.69 -4.33 118.33 112.14 1ddm n VAL 197 Ca -0.01 -0.52 0.12 0.00 -0.01 0.00 0.00 64.34 63.92 1ddm n VAL 197 Cb 0.20 -0.32 0.51 0.00 -0.91 0.00 0.00 33.84 33.32 1ddm n VAL 197 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1ddm h LEU 199 N 0.00 0.84 -2.03 0.00 3.38 -1.62 -2.30 115.31 113.57 1ddm h LEU 199 Ca 0.00 -0.16 0.03 0.00 0.09 0.00 0.00 57.88 57.84 1ddm h LEU 199 Cb 0.42 -0.22 -0.00 0.00 0.09 0.00 0.00 40.66 40.95 1ddm h LEU 199 CO 0.00 0.77 0.08 1.05 0.09 0.00 0.00 178.44 180.43 1ddm h GLU 200 N 0.85 0.00 -0.00 1.13 4.11 -1.84 -3.53 114.58 115.30 1ddm h GLU 200 Ca 0.20 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.63 1ddm h GLU 200 Cb 0.19 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.44 1ddm h GLU 200 CO -0.02 0.00 0.00 -2.13 0.07 0.00 0.00 179.01 176.93