#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kkz s PRO 85 N 0.00 2.66 0.09 2.12 0.04 -1.26 -4.95 135.00 133.70 2kkz s PRO 85 Ca 0.00 1.82 -0.31 0.00 0.04 0.00 0.00 61.00 62.55 2kkz s PRO 85 Cb 0.00 -1.89 -0.09 0.00 0.04 0.00 0.00 34.50 32.56 2kkz s PRO 85 CO 0.00 -1.45 1.79 0.00 0.04 0.00 0.00 177.00 177.39 2kkz s ALA 86 N -1.72 3.71 -0.14 8.56 0.00 -1.26 -4.99 121.76 125.92 2kkz s ALA 86 Ca 0.77 1.34 -0.22 0.00 0.00 0.00 0.00 51.96 53.86 2kkz s ALA 86 Cb -0.31 -3.76 -0.03 0.00 0.00 0.00 0.00 23.12 19.03 2kkz s ALA 86 CO 0.38 -1.25 0.65 -1.54 0.00 0.00 0.00 175.76 174.00 2kkz s SER 87 N 2.90 6.81 0.20 0.00 1.04 -1.26 -4.80 113.70 118.58 2kkz s SER 87 Ca 0.80 0.98 -0.02 0.00 0.48 0.00 0.00 55.95 58.18 2kkz s SER 87 Cb -0.43 -2.37 -0.05 0.00 0.10 0.00 0.00 66.02 63.27 2kkz s SER 87 CO 0.36 -0.19 0.41 -0.60 0.98 0.00 0.00 173.24 174.19 2kkz s ARG 88 N 1.37 3.56 -0.16 4.02 3.52 -0.56 -4.88 118.95 125.82 2kkz s ARG 88 Ca 0.32 -0.23 0.01 0.00 -0.13 0.00 0.00 55.73 55.70 2kkz s ARG 88 Cb -0.16 -2.82 0.02 0.00 -1.56 0.00 0.00 34.95 30.43 2kkz s ARG 88 CO 0.13 0.40 -0.18 0.71 -0.81 0.00 0.00 175.30 175.55 2kkz s TYR 89 N -1.84 2.49 -0.39 5.12 1.51 -1.26 -0.15 117.35 122.83 2kkz s TYR 89 Ca 0.40 -1.40 -0.20 0.00 -1.01 0.00 0.00 57.07 54.85 2kkz s TYR 89 Cb -0.11 -1.75 0.01 0.00 -0.11 0.00 0.00 41.96 39.99 2kkz s TYR 89 CO 0.28 -0.71 0.64 0.42 -1.11 0.00 0.00 175.55 175.07 2kkz s ILE 90 N 1.26 4.87 -1.09 2.71 -1.09 -0.53 -4.97 121.20 122.36 2kkz s ILE 90 Ca 0.02 0.40 -0.03 0.00 -2.23 0.00 0.00 60.65 58.81 2kkz s ILE 90 Cb -0.13 -4.12 0.29 0.00 -1.58 0.00 0.00 42.46 36.92 2kkz s ILE 90 CO -0.10 -0.42 1.70 0.35 -1.23 0.00 0.00 174.94 175.24 2kkz n THR 91 N 5.69 5.59 -0.16 2.92 -2.24 -1.26 -2.86 114.28 121.95 2kkz n THR 91 Ca -0.01 -5.77 -0.11 0.00 -2.27 0.00 0.00 64.05 55.88 2kkz n THR 91 Cb 0.48 -1.89 -0.00 0.00 -2.10 0.00 0.00 70.33 66.82 2kkz n THR 91 CO 0.00 0.00 0.00 -0.78 -0.57 0.00 0.00 175.07 173.72 2kkz h ASP 92 N 4.92 0.93 -3.28 3.42 3.58 -1.94 -3.43 116.42 120.63 2kkz h ASP 92 Ca 0.37 -0.37 -0.64 0.00 0.42 0.00 0.00 57.03 56.81 2kkz h ASP 92 Cb 0.48 -0.26 -0.12 0.00 1.72 0.00 0.00 39.33 41.15 2kkz h ASP 92 CO 1.30 1.09 -0.67 0.00 -2.88 0.00 0.00 179.24 178.08 2kkz s MET 93 N -4.77 2.45 0.38 0.28 0.23 -1.26 -4.91 119.30 111.70 2kkz s MET 93 Ca -0.12 -0.93 -0.10 0.00 -1.03 0.00 0.00 55.69 53.51 2kkz s MET 93 Cb 0.12 -2.46 -0.07 0.00 -1.53 0.00 0.00 34.83 30.89 2kkz s MET 93 CO 0.85 0.52 0.74 0.99 -2.03 0.00 0.00 175.02 176.09 2kkz s THR 94 N -1.39 4.80 0.31 3.16 2.01 -1.26 -4.86 115.64 118.42 2kkz s THR 94 Ca 0.25 0.59 0.01 0.00 0.31 0.00 0.00 61.69 62.86 2kkz s THR 94 Cb -0.11 -3.72 0.18 0.00 0.01 0.00 0.00 72.50 68.86 2kkz s THR 94 CO 0.18 -0.46 1.88 0.40 -0.69 0.00 0.00 174.62 175.92 2kkz h ILE 95 N 1.21 1.20 -0.75 1.82 1.08 -1.97 -0.80 117.51 119.31 2kkz h ILE 95 Ca -0.47 -0.70 0.17 0.00 -0.39 0.00 0.00 64.86 63.46 2kkz h ILE 95 Cb 1.19 0.69 -0.12 0.00 -3.07 0.00 0.00 36.82 35.51 2kkz h ILE 95 CO 0.64 0.26 0.10 -0.33 -0.69 0.00 0.00 178.15 178.13 2kkz h GLU 96 N 0.70 0.17 0.00 2.37 5.08 -1.97 0.37 114.58 121.31 2kkz h GLU 96 Ca 0.16 -0.01 -0.00 0.00 -1.00 0.00 0.00 59.36 58.51 2kkz h GLU 96 Cb 0.24 -0.04 -0.00 0.00 0.50 0.00 0.00 28.75 29.45 2kkz h GLU 96 CO -0.01 0.11 -1.44 -0.85 -1.00 0.00 0.00 179.01 175.82 2kkz n GLU 97 N -5.26 0.63 -0.01 2.33 -0.00 -1.07 -3.27 120.64 114.00 2kkz n GLU 97 Ca 0.14 -0.02 -0.07 0.00 -0.00 0.00 0.00 57.16 57.22 2kkz n GLU 97 Cb 0.48 -1.69 0.12 0.00 -0.00 0.00 0.00 31.44 30.35 2kkz n GLU 97 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.13 178.38 2kkz h LEU 98 N 0.00 0.59 -2.62 -1.84 6.46 -0.74 -3.06 115.31 114.10 2kkz h LEU 98 Ca -0.00 -0.25 0.00 0.00 -0.12 0.00 0.00 57.88 57.51 2kkz h LEU 98 Cb 1.01 -0.16 0.00 0.00 -0.73 0.00 0.00 40.66 40.78 2kkz h LEU 98 CO 0.00 0.91 0.00 -1.20 -0.62 0.00 0.00 178.44 177.53 2kkz n SER 99 N -4.05 3.91 -4.72 1.25 7.64 0.09 -4.94 113.62 112.80 2kkz n SER 99 Ca -0.01 -2.17 -0.42 0.00 1.01 0.00 0.00 58.87 57.28 2kkz n SER 99 Cb 0.49 -0.49 -0.03 0.00 -1.01 0.00 0.00 64.21 63.17 2kkz n SER 99 CO 0.00 0.00 0.00 -0.60 -3.01 0.00 0.00 175.04 171.43 2kkz s ARG 100 N -1.41 4.59 0.23 1.43 6.06 -1.16 -5.04 118.95 123.65 2kkz s ARG 100 Ca 0.45 1.47 -0.28 0.00 -2.50 0.00 0.00 55.73 54.87 2kkz s ARG 100 Cb 0.26 -3.42 -0.09 0.00 0.06 0.00 0.00 34.95 31.76 2kkz s ARG 100 CO 0.27 0.02 0.88 0.34 -2.50 0.00 0.00 175.30 174.31 2kkz s ASP 101 N 0.67 7.51 0.35 -2.12 2.15 -1.26 -5.04 116.67 118.94 2kkz s ASP 101 Ca 0.51 1.82 -0.16 0.00 0.43 0.00 0.00 52.55 55.16 2kkz s ASP 101 Cb -0.23 -2.57 0.04 0.00 -0.30 0.00 0.00 42.92 39.87 2kkz s ASP 101 CO 0.29 0.15 0.73 -1.66 -0.17 0.00 0.00 175.17 174.51 2kkz s TRP 102 N -1.23 0.13 0.20 -5.34 1.48 -1.26 -5.05 118.94 107.87 2kkz s TRP 102 Ca 0.40 -0.70 -0.13 0.00 -1.06 0.00 0.00 56.10 54.61 2kkz s TRP 102 Cb -0.24 0.71 0.01 0.00 -1.16 0.00 0.00 33.47 32.78 2kkz s TRP 102 CO 0.29 -1.43 0.44 -0.59 -4.06 0.00 0.00 176.95 171.59 2kkz s PHE 103 N -2.84 0.20 -0.21 1.66 -0.71 -1.26 -5.16 117.98 109.67 2kkz s PHE 103 Ca 0.16 -0.56 -0.09 0.00 -1.04 0.00 0.00 56.93 55.40 2kkz s PHE 103 Cb -0.05 0.19 -0.04 0.00 -1.21 0.00 0.00 43.02 41.91 2kkz s PHE 103 CO 0.11 -0.88 0.10 -1.64 -1.34 0.00 0.00 175.22 171.57 2kkz s MET 104 N -3.95 4.02 0.12 1.99 -1.94 -1.26 -4.96 119.30 113.32 2kkz s MET 104 Ca 0.16 -0.31 0.00 0.00 -1.71 0.00 0.00 55.69 53.84 2kkz s MET 104 Cb 0.00 -3.36 -0.16 0.00 2.01 0.00 0.00 34.83 33.33 2kkz s MET 104 CO 0.02 0.18 1.26 1.37 -0.01 0.00 0.00 175.02 177.85 2kkz h LEU 105 N 7.04 0.29 -7.10 -0.03 -0.00 -1.97 -3.35 115.31 110.18 2kkz h LEU 105 Ca -0.38 -0.28 -0.62 0.00 -0.00 0.00 0.00 57.88 56.60 2kkz h LEU 105 Cb 1.16 -0.09 -0.42 0.00 -0.00 0.00 0.00 40.66 41.31 2kkz h LEU 105 CO 0.69 1.16 -0.57 -0.04 -0.00 0.00 0.00 178.44 179.67 2kkz s MET 106 N -2.91 2.45 0.05 0.17 -1.94 -1.26 -5.04 119.30 110.82 2kkz s MET 106 Ca -0.03 -3.32 -0.31 0.00 -1.71 0.00 0.00 55.69 50.33 2kkz s MET 106 Cb 0.09 -3.42 -0.06 0.00 2.01 0.00 0.00 34.83 33.45 2kkz s MET 106 CO 0.85 -1.28 1.24 -1.25 -0.01 0.00 0.00 175.02 174.58 2kkz s PRO 107 N -1.41 4.40 -0.07 2.03 0.04 -1.26 -1.84 135.00 136.89 2kkz s PRO 107 Ca 0.24 1.82 -0.01 0.00 0.04 0.00 0.00 61.00 63.10 2kkz s PRO 107 Cb -0.06 -3.37 0.03 0.00 0.04 0.00 0.00 34.50 31.15 2kkz s PRO 107 CO -0.16 -0.33 -0.01 0.21 0.04 0.00 0.00 177.00 176.75 2kkz s LYS 108 N 1.27 0.72 -0.34 4.56 2.47 0.11 -4.95 119.74 123.59 2kkz s LYS 108 Ca 0.60 0.04 -0.06 0.00 -1.56 0.00 0.00 55.97 54.98 2kkz s LYS 108 Cb -0.30 -1.00 0.04 0.00 -1.46 0.00 0.00 37.83 35.11 2kkz s LYS 108 CO 0.28 -0.26 0.10 -1.14 0.16 0.00 0.00 175.35 174.50 2kkz s GLN 109 N 1.75 2.64 -0.17 4.03 2.00 -1.26 -1.20 119.66 127.45 2kkz s GLN 109 Ca 0.02 -1.16 -0.08 0.00 -2.00 0.00 0.00 55.36 52.13 2kkz s GLN 109 Cb -0.13 -3.45 -0.04 0.00 0.80 0.00 0.00 33.01 30.19 2kkz s GLN 109 CO -0.05 -0.65 0.12 0.21 -0.50 0.00 0.00 175.29 174.42 2kkz s LYS 110 N 1.40 3.87 -0.21 1.67 2.47 -0.80 -5.02 119.74 123.12 2kkz s LYS 110 Ca -0.02 -0.22 -0.08 0.00 -1.56 0.00 0.00 55.97 54.10 2kkz s LYS 110 Cb -0.19 -3.29 -0.04 0.00 -1.46 0.00 0.00 37.83 32.84 2kkz s LYS 110 CO 0.03 0.47 0.08 0.08 0.16 0.00 0.00 175.35 176.16 2kkz s VAL 111 N -0.14 4.78 -0.44 4.02 1.01 -1.26 -0.22 120.40 128.16 2kkz s VAL 111 Ca 0.10 -0.03 0.02 0.00 0.00 0.00 0.00 61.98 62.07 2kkz s VAL 111 Cb -0.12 -3.18 0.14 0.00 0.00 0.00 0.00 36.38 33.22 2kkz s VAL 111 CO 0.00 0.41 0.26 -0.70 0.00 0.00 0.00 175.10 175.07 2kkz s GLU 112 N 0.76 1.21 7.57 2.72 2.56 -0.63 -4.95 118.70 127.94 2kkz s GLU 112 Ca 0.04 -1.98 0.00 0.00 0.00 0.00 0.00 54.97 53.03 2kkz s GLU 112 Cb -0.13 -2.17 0.00 0.00 2.00 0.00 0.00 34.13 33.83 2kkz s GLU 112 CO 0.02 -1.19 0.00 0.41 -0.56 0.00 0.00 175.26 173.94 2kkz n GLY 113 N 3.48 2.71 0.95 -1.50 0.00 -1.26 -2.33 105.19 107.25 2kkz n GLY 113 Ca 0.11 -0.27 0.06 0.00 0.00 0.00 0.00 46.02 45.92 2kkz n GLY 113 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2kkz n PRO 114 N 12.97 2.39 -3.89 1.61 -0.04 -1.26 -4.84 135.00 141.94 2kkz n PRO 114 Ca 0.00 -1.58 -0.28 0.00 -0.04 0.00 0.00 63.50 61.59 2kkz n PRO 114 Cb 0.00 -1.54 -0.16 0.00 -0.04 0.00 0.00 33.50 31.76 2kkz n PRO 114 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 2kkz s LEU 115 N -1.19 1.68 -0.37 1.53 1.43 -0.98 -1.29 118.68 119.49 2kkz s LEU 115 Ca 0.29 -0.70 -0.21 0.00 -1.03 0.00 0.00 54.13 52.47 2kkz s LEU 115 Cb 0.18 -0.93 0.01 0.00 0.03 0.00 0.00 46.19 45.47 2kkz s LEU 115 CO 0.15 -0.19 0.68 0.00 0.23 0.00 0.00 176.35 177.23 2kkz s ILE 117 N 2.85 4.89 -0.29 0.00 -1.09 0.70 -2.21 121.20 126.04 2kkz s ILE 117 Ca 0.26 1.47 -0.17 0.00 -2.23 0.00 0.00 60.65 59.99 2kkz s ILE 117 Cb -0.14 -4.07 -0.02 0.00 -1.58 0.00 0.00 42.46 36.64 2kkz s ILE 117 CO 0.16 -0.02 0.45 -0.13 -1.23 0.00 0.00 174.94 174.17 2kkz s ARG 118 N 2.57 3.91 -0.17 2.79 1.81 -0.14 -1.91 118.95 127.81 2kkz s ARG 118 Ca 0.33 0.06 0.00 0.00 -1.72 0.00 0.00 55.73 54.40 2kkz s ARG 118 Cb -0.16 -3.70 0.01 0.00 -0.45 0.00 0.00 34.95 30.65 2kkz s ARG 118 CO 0.09 -0.41 -0.17 0.42 -0.68 0.00 0.00 175.30 174.54 2kkz s ILE 119 N 2.23 2.34 -0.34 1.52 -1.09 -0.34 -3.62 121.20 121.90 2kkz s ILE 119 Ca 0.18 -0.86 -0.11 0.00 -2.23 0.00 0.00 60.65 57.63 2kkz s ILE 119 Cb -0.16 -1.99 -0.00 0.00 -1.58 0.00 0.00 42.46 38.73 2kkz s ILE 119 CO 0.11 0.52 0.20 -0.62 -1.23 0.00 0.00 174.94 173.92 2kkz s ASP 120 N 1.15 5.81 0.37 3.58 -1.08 -1.26 -0.71 116.67 124.53 2kkz s ASP 120 Ca 0.01 -0.58 0.27 0.00 -0.52 0.00 0.00 52.55 51.73 2kkz s ASP 120 Cb -0.14 -2.07 1.09 0.00 -1.46 0.00 0.00 42.92 40.35 2kkz s ASP 120 CO -0.07 -0.26 1.81 1.56 0.52 0.00 0.00 175.17 178.73 2kkz h GLN 121 N 8.44 0.00 0.00 4.34 4.20 -1.73 -3.21 115.11 127.15 2kkz h GLN 121 Ca -0.30 0.00 -0.16 0.00 0.06 0.00 0.00 58.65 58.25 2kkz h GLN 121 Cb 1.14 0.00 -0.03 0.00 0.30 0.00 0.00 27.48 28.90 2kkz h GLN 121 CO 0.64 0.00 -1.10 0.00 -0.67 0.00 0.00 178.83 177.69 2kkz h ALA 122 N 2.18 0.64 -1.63 3.87 0.00 -1.94 -3.45 119.26 118.93 2kkz h ALA 122 Ca 0.00 -0.75 -0.53 0.00 0.00 0.00 0.00 54.91 53.63 2kkz h ALA 122 Cb 0.46 0.14 -0.04 0.00 0.00 0.00 0.00 17.79 18.36 2kkz h ALA 122 CO 0.00 0.88 1.28 0.42 0.00 0.00 0.00 179.25 181.83 2kkz s ILE 123 N -2.91 3.48 0.07 0.00 -1.09 -1.21 -4.96 121.20 114.58 2kkz s ILE 123 Ca -0.00 0.39 0.03 0.00 -2.23 0.00 0.00 60.65 58.84 2kkz s ILE 123 Cb 0.08 -3.95 -0.03 0.00 -1.58 0.00 0.00 42.46 36.99 2kkz s ILE 123 CO 0.79 -0.80 -0.09 -0.04 -1.23 0.00 0.00 174.94 173.57 2kkz s MET 124 N 6.31 0.68 0.00 2.79 -1.94 -1.26 -4.81 119.30 121.07 2kkz s MET 124 Ca 0.68 -0.95 0.00 0.00 -1.71 0.00 0.00 55.69 53.71 2kkz s MET 124 Cb -0.15 -0.43 0.00 0.00 2.01 0.00 0.00 34.83 36.26 2kkz s MET 124 CO 0.26 0.07 0.00 -3.47 -0.01 0.00 0.00 175.02 171.87 2kkz n ASP 125 N 1.05 -3.31 -4.89 3.03 2.03 -0.70 -4.96 116.55 108.79 2kkz n ASP 125 Ca -0.20 0.00 -0.31 0.00 0.52 0.00 0.00 54.79 54.80 2kkz n ASP 125 Cb 0.56 -1.56 -0.05 0.00 -0.72 0.00 0.00 41.12 39.35 2kkz n ASP 125 CO 0.00 0.00 0.00 -0.54 -1.92 0.00 0.00 177.20 174.74 2kkz s LYS 126 N -0.72 3.69 -0.45 -0.67 -0.14 -1.26 -4.82 119.74 115.36 2kkz s LYS 126 Ca 0.00 0.06 -0.18 0.00 -1.36 0.00 0.00 55.97 54.49 2kkz s LYS 126 Cb 0.00 -2.72 0.03 0.00 -1.68 0.00 0.00 37.83 33.46 2kkz s LYS 126 CO 0.00 0.35 0.53 -0.80 -0.76 0.00 0.00 175.35 174.66 2kkz s ASN 127 N -2.61 6.23 0.10 2.83 0.01 -1.26 -1.23 114.94 119.01 2kkz s ASN 127 Ca 0.44 -0.70 0.08 0.00 -0.71 0.00 0.00 52.86 51.98 2kkz s ASN 127 Cb -0.11 -2.26 -0.04 0.00 0.41 0.00 0.00 41.25 39.25 2kkz s ASN 127 CO 0.25 -0.71 -0.16 -0.63 -1.51 0.00 0.00 177.10 174.34 2kkz s ILE 128 N 2.38 2.95 -0.05 0.60 1.01 -0.82 -1.19 121.20 126.08 2kkz s ILE 128 Ca 0.15 -1.40 0.04 0.00 0.00 0.00 0.00 60.65 59.44 2kkz s ILE 128 Cb -0.17 -2.34 -0.00 0.00 0.01 0.00 0.00 42.46 39.95 2kkz s ILE 128 CO 0.14 0.14 -0.18 -0.32 0.00 0.00 0.00 174.94 174.72 2kkz s MET 129 N -2.04 1.93 -0.54 2.79 -2.45 -0.29 -1.81 119.30 116.90 2kkz s MET 129 Ca 0.18 -0.63 -0.19 0.00 -1.25 0.00 0.00 55.69 53.80 2kkz s MET 129 Cb -0.11 -1.64 0.07 0.00 1.25 0.00 0.00 34.83 34.40 2kkz s MET 129 CO 0.10 0.23 0.66 -0.51 1.05 0.00 0.00 175.02 176.55 2kkz s LEU 130 N 0.11 5.11 0.11 4.11 2.01 -0.85 -2.77 118.68 126.50 2kkz s LEU 130 Ca -0.06 -1.11 0.08 0.00 0.01 0.00 0.00 54.13 53.05 2kkz s LEU 130 Cb -0.13 -2.39 -0.04 0.00 0.01 0.00 0.00 46.19 43.64 2kkz s LEU 130 CO 0.03 -0.98 -0.14 -0.54 1.01 0.00 0.00 176.35 175.73 2kkz s LYS 131 N 2.68 1.96 -0.12 1.70 -0.14 -0.39 -1.17 119.74 124.27 2kkz s LYS 131 Ca 0.14 -1.10 -0.19 0.00 -1.36 0.00 0.00 55.97 53.46 2kkz s LYS 131 Cb -0.21 -2.21 0.04 0.00 -1.68 0.00 0.00 37.83 33.77 2kkz s LYS 131 CO 0.10 0.49 0.47 0.00 -0.76 0.00 0.00 175.35 175.65 2kkz s ALA 132 N -1.18 -1.18 -0.15 5.17 0.00 -1.26 -0.70 121.76 122.46 2kkz s ALA 132 Ca 0.20 1.09 -0.05 0.00 0.00 0.00 0.00 51.96 53.20 2kkz s ALA 132 Cb -0.11 -0.45 -0.04 0.00 0.00 0.00 0.00 23.12 22.53 2kkz s ALA 132 CO 0.12 -0.26 0.04 -0.80 0.00 0.00 0.00 175.76 174.86 2kkz s ASN 133 N -0.38 5.49 0.16 0.00 0.01 -0.32 -3.95 114.94 115.96 2kkz s ASN 133 Ca -0.05 0.11 -0.24 0.00 -0.71 0.00 0.00 52.86 51.97 2kkz s ASN 133 Cb -0.03 -1.82 0.06 0.00 0.41 0.00 0.00 41.25 39.87 2kkz s ASN 133 CO 0.03 0.25 0.73 0.72 -1.51 0.00 0.00 177.10 177.33 2kkz s PHE 134 N -0.12 -0.35 0.41 2.20 -0.71 -1.14 -1.78 117.98 116.49 2kkz s PHE 134 Ca 0.06 0.07 -0.06 0.00 -1.04 0.00 0.00 56.93 55.96 2kkz s PHE 134 Cb -0.12 0.61 -0.05 0.00 -1.21 0.00 0.00 43.02 42.25 2kkz s PHE 134 CO 0.01 -0.90 0.72 0.45 -1.34 0.00 0.00 175.22 174.16 2kkz s SER 135 N -2.78 6.38 -0.00 1.98 0.15 -0.53 -1.45 113.70 117.44 2kkz s SER 135 Ca 0.06 0.91 0.01 0.00 0.70 0.00 0.00 55.95 57.63 2kkz s SER 135 Cb -0.02 -2.23 -0.00 0.00 -1.71 0.00 0.00 66.02 62.05 2kkz s SER 135 CO -0.05 -0.43 -0.05 -0.69 1.20 0.00 0.00 173.24 173.23 2kkz s VAL 136 N -2.47 0.38 -0.08 4.45 1.01 0.79 -1.09 120.40 123.40 2kkz s VAL 136 Ca 0.47 -0.21 -0.08 0.00 0.00 0.00 0.00 61.98 62.17 2kkz s VAL 136 Cb -0.10 -0.32 0.02 0.00 0.00 0.00 0.00 36.38 35.97 2kkz s VAL 136 CO 0.37 0.11 0.21 -0.51 0.00 0.00 0.00 175.10 175.28 2kkz s ILE 137 N -0.11 0.00 -1.82 2.22 1.10 -0.50 -1.50 121.20 120.59 2kkz s ILE 137 Ca 0.02 -0.04 0.00 0.00 -0.51 0.00 0.00 60.65 60.12 2kkz s ILE 137 Cb -0.02 -0.31 0.00 0.00 0.15 0.00 0.00 42.46 42.28 2kkz s ILE 137 CO -0.00 -0.02 0.00 0.49 -2.11 0.00 0.00 174.94 173.30 2kkz n PHE 138 N 2.88 -0.75 -1.10 3.50 3.72 -1.26 -1.70 117.46 122.74 2kkz n PHE 138 Ca -0.13 0.00 -0.04 0.00 -0.05 0.00 0.00 57.45 57.23 2kkz n PHE 138 Cb 0.58 -3.68 -0.02 0.00 -0.94 0.00 0.00 39.48 35.43 2kkz n PHE 138 CO 0.00 0.00 0.00 -3.47 -0.05 0.00 0.00 176.76 173.24 2kkz n ASP 139 N -1.76 -4.08 -4.41 4.37 2.03 -1.26 -5.02 116.55 106.41 2kkz n ASP 139 Ca -0.22 0.09 -0.21 0.00 0.52 0.00 0.00 54.79 54.96 2kkz n ASP 139 Cb 0.67 -1.89 -0.10 0.00 -0.72 0.00 0.00 41.12 39.08 2kkz n ASP 139 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2kkz s ARG 140 N -1.62 1.51 -0.02 -0.67 1.70 -0.69 -4.85 118.95 114.32 2kkz s ARG 140 Ca 0.00 -1.70 -0.30 0.00 -0.47 0.00 0.00 55.73 53.27 2kkz s ARG 140 Cb 0.00 -1.41 -0.07 0.00 -0.57 0.00 0.00 34.95 32.90 2kkz s ARG 140 CO 0.00 0.23 1.87 -1.17 -1.08 0.00 0.00 175.30 175.14 2kkz s LEU 141 N -3.42 4.30 -0.01 -1.89 0.20 -1.26 -1.41 118.68 115.19 2kkz s LEU 141 Ca 0.27 2.42 -0.00 0.00 0.69 0.00 0.00 54.13 57.51 2kkz s LEU 141 Cb -0.02 -3.53 -0.00 0.00 -0.43 0.00 0.00 46.19 42.21 2kkz s LEU 141 CO 0.11 -1.09 -0.00 -0.08 -0.29 0.00 0.00 176.35 175.00 2kkz h GLU 142 N 10.58 0.00 -3.77 1.98 4.22 -1.39 -3.35 114.58 122.84 2kkz h GLU 142 Ca -0.45 0.00 -0.36 0.00 0.08 0.00 0.00 59.36 58.64 2kkz h GLU 142 Cb 1.21 0.00 -0.34 0.00 0.50 0.00 0.00 28.75 30.12 2kkz h GLU 142 CO 0.95 0.00 -0.75 0.99 -2.18 0.00 0.00 179.01 178.02 2kkz s THR 143 N -1.05 0.24 -0.06 0.32 2.01 -1.23 -4.19 115.64 111.68 2kkz s THR 143 Ca -0.00 0.05 -0.30 0.00 0.31 0.00 0.00 61.69 61.75 2kkz s THR 143 Cb 0.00 -0.32 -0.04 0.00 0.01 0.00 0.00 72.50 72.15 2kkz s THR 143 CO 0.00 0.16 1.32 -0.22 -0.69 0.00 0.00 174.62 175.19 2kkz s LEU 144 N 1.01 4.27 -0.15 4.42 2.96 -1.26 -1.46 118.68 128.47 2kkz s LEU 144 Ca -0.10 1.92 -0.24 0.00 -0.22 0.00 0.00 54.13 55.49 2kkz s LEU 144 Cb -0.14 -3.55 -0.25 0.00 0.50 0.00 0.00 46.19 42.75 2kkz s LEU 144 CO -0.01 -0.70 0.59 0.40 -1.32 0.00 0.00 176.35 175.30 2kkz h ILE 145 N 5.14 1.40 -1.90 6.68 2.04 -1.71 -3.45 117.51 125.71 2kkz h ILE 145 Ca -0.34 -2.32 -0.03 0.00 1.00 0.00 0.00 64.86 63.17 2kkz h ILE 145 Cb 1.15 2.93 -0.20 0.00 -0.74 0.00 0.00 36.82 39.97 2kkz h ILE 145 CO 0.92 0.55 0.27 -0.22 0.00 0.00 0.00 178.15 179.66 2kkz s LEU 146 N -7.99 -0.60 0.02 1.44 2.96 -0.74 -4.53 118.68 109.25 2kkz s LEU 146 Ca -0.22 0.68 0.06 0.00 -0.22 0.00 0.00 54.13 54.43 2kkz s LEU 146 Cb 0.01 2.38 -0.02 0.00 0.50 0.00 0.00 46.19 49.07 2kkz s LEU 146 CO 0.69 -0.54 -0.18 -0.22 -1.32 0.00 0.00 176.35 174.78 2kkz s LEU 147 N -1.11 2.10 -0.01 -0.68 0.20 -0.79 -1.18 118.68 117.22 2kkz s LEU 147 Ca -0.09 -0.41 0.02 0.00 0.69 0.00 0.00 54.13 54.34 2kkz s LEU 147 Cb -0.00 -0.87 0.00 0.00 -0.43 0.00 0.00 46.19 44.89 2kkz s LEU 147 CO 0.08 0.16 -0.06 -0.60 -0.29 0.00 0.00 176.35 175.64 2kkz s ARG 148 N -0.81 0.58 -0.24 1.98 3.52 0.12 -1.19 118.95 122.91 2kkz s ARG 148 Ca 0.06 -0.20 -0.04 0.00 -0.13 0.00 0.00 55.73 55.42 2kkz s ARG 148 Cb -0.08 -0.57 -0.00 0.00 -1.56 0.00 0.00 34.95 32.74 2kkz s ARG 148 CO 0.01 0.09 -0.02 0.00 -0.81 0.00 0.00 175.30 174.56 2kkz s ALA 149 N 0.10 2.85 0.07 6.12 0.00 -0.47 -1.26 121.76 129.17 2kkz s ALA 149 Ca -0.01 -1.25 -0.05 0.00 0.00 0.00 0.00 51.96 50.66 2kkz s ALA 149 Cb -0.05 -1.78 -0.02 0.00 0.00 0.00 0.00 23.12 21.27 2kkz s ALA 149 CO -0.00 -0.56 0.08 -0.59 0.00 0.00 0.00 175.76 174.70 2kkz s PHE 150 N 1.47 0.36 0.81 0.00 -0.71 -1.12 -1.36 117.98 117.44 2kkz s PHE 150 Ca 0.05 -0.85 -0.12 0.00 -1.04 0.00 0.00 56.93 54.97 2kkz s PHE 150 Cb -0.15 -0.23 0.09 0.00 -1.21 0.00 0.00 43.02 41.52 2kkz s PHE 150 CO -0.02 -0.47 1.17 0.95 -1.34 0.00 0.00 175.22 175.50 2kkz s THR 151 N -3.90 2.04 -0.85 -4.49 -4.23 -0.70 -1.14 115.64 102.37 2kkz s THR 151 Ca 0.07 -0.04 0.18 0.00 -1.18 0.00 0.00 61.69 60.72 2kkz s THR 151 Cb 0.06 -3.00 0.16 0.00 1.34 0.00 0.00 72.50 71.07 2kkz s THR 151 CO -0.10 0.00 1.55 -1.84 -0.54 0.00 0.00 174.62 173.69 2kkz n GLU 152 N -3.30 0.06 0.15 3.99 -0.00 -0.33 -1.22 120.64 119.98 2kkz n GLU 152 Ca 0.09 0.30 -0.01 0.00 -0.00 0.00 0.00 57.16 57.54 2kkz n GLU 152 Cb 0.61 -1.61 0.22 0.00 -0.00 0.00 0.00 31.44 30.65 2kkz n GLU 152 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.13 178.06 2kkz h GLU 153 N 0.00 0.02 0.00 3.44 5.08 -1.92 -3.48 114.58 117.72 2kkz h GLU 153 Ca 0.00 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.35 2kkz h GLU 153 Cb 0.29 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.54 2kkz h GLU 153 CO 0.00 0.56 0.00 0.41 -1.00 0.00 0.00 179.01 178.98 2kkz n GLY 154 N 0.06 0.58 3.67 -3.84 0.00 -0.36 -5.08 105.19 100.22 2kkz n GLY 154 Ca -0.01 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.58 2kkz n GLY 154 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2kkz s ALA 155 N -2.00 3.58 -0.59 4.61 0.00 -1.26 -4.69 121.76 121.40 2kkz s ALA 155 Ca 0.00 0.40 -0.28 0.00 0.00 0.00 0.00 51.96 52.08 2kkz s ALA 155 Cb 0.00 -3.54 0.01 0.00 0.00 0.00 0.00 23.12 19.60 2kkz s ALA 155 CO 0.00 -0.92 1.42 0.42 0.00 0.00 0.00 175.76 176.67 2kkz s ILE 156 N 2.81 3.75 -1.10 0.00 1.01 -1.26 -1.73 121.20 124.68 2kkz s ILE 156 Ca 0.51 0.61 0.21 0.00 0.00 0.00 0.00 60.65 61.98 2kkz s ILE 156 Cb -0.20 -4.49 -0.19 0.00 0.01 0.00 0.00 42.46 37.60 2kkz s ILE 156 CO 0.14 -1.26 0.96 1.33 0.00 0.00 0.00 174.94 176.11 2kkz n VAL 157 N 6.80 0.00 -3.79 2.92 0.24 -0.64 -4.76 118.33 119.11 2kkz n VAL 157 Ca 0.11 -0.02 -0.03 0.00 -2.04 0.00 0.00 64.34 62.36 2kkz n VAL 157 Cb 0.49 0.97 -0.00 0.00 -1.47 0.00 0.00 33.84 33.83 2kkz n VAL 157 CO 0.00 0.00 0.00 -0.83 -2.14 0.00 0.00 176.83 173.86 2kkz s GLY 158 N -2.95 -0.12 0.03 7.63 0.00 -0.46 -4.05 107.32 107.40 2kkz s GLY 158 Ca 0.09 0.00 -0.27 0.00 0.00 0.00 0.00 44.72 44.54 2kkz s GLY 158 CO 0.83 0.79 0.78 1.85 0.00 0.00 0.00 173.10 177.35 2kkz s GLU 159 N -2.83 0.98 -0.30 2.90 2.12 -1.24 -1.37 118.70 118.96 2kkz s GLU 159 Ca 0.16 -0.25 0.02 0.00 0.36 0.00 0.00 54.97 55.26 2kkz s GLU 159 Cb -0.01 0.45 0.08 0.00 0.26 0.00 0.00 34.13 34.92 2kkz s GLU 159 CO 0.03 -0.41 0.01 0.42 -0.54 0.00 0.00 175.26 174.77 2kkz s ILE 160 N -2.90 1.83 -0.44 -3.70 1.01 -0.34 -0.96 121.20 115.70 2kkz s ILE 160 Ca 0.01 -1.80 -0.19 0.00 0.00 0.00 0.00 60.65 58.66 2kkz s ILE 160 Cb -0.01 -2.23 0.03 0.00 0.01 0.00 0.00 42.46 40.26 2kkz s ILE 160 CO -0.07 -0.41 0.57 -0.44 0.00 0.00 0.00 174.94 174.59 2kkz s SER 161 N 1.18 6.27 -0.04 3.58 0.01 -0.94 -1.89 113.70 121.87 2kkz s SER 161 Ca 0.04 -0.52 -0.30 0.00 1.31 0.00 0.00 55.95 56.48 2kkz s SER 161 Cb -0.19 -2.28 -0.07 0.00 0.21 0.00 0.00 66.02 63.69 2kkz s SER 161 CO -0.10 -0.73 1.80 -2.84 0.41 0.00 0.00 173.24 171.77 2kkz s PRO 162 N 2.58 4.08 0.08 12.44 0.02 -1.26 -2.06 135.00 150.88 2kkz s PRO 162 Ca 0.18 2.30 -0.32 0.00 0.02 0.00 0.00 61.00 63.18 2kkz s PRO 162 Cb -0.16 -4.07 -0.11 0.00 0.02 0.00 0.00 34.50 30.18 2kkz s PRO 162 CO 0.16 -0.98 1.83 1.28 -0.33 0.00 0.00 177.00 178.95 2kkz n LEU 163 N 7.61 3.83 0.26 -5.54 4.77 -0.41 -4.89 117.00 122.64 2kkz n LEU 163 Ca 0.19 0.99 0.13 0.00 -0.03 0.00 0.00 56.01 57.29 2kkz n LEU 163 Cb 0.42 -1.50 0.69 0.00 -2.33 0.00 0.00 43.42 40.70 2kkz n LEU 163 CO 0.65 0.08 0.95 -0.65 -1.33 0.00 0.00 177.39 177.08 2kkz h PRO 164 N 8.51 0.00 0.00 3.23 0.11 -1.93 -1.24 132.00 140.69 2kkz h PRO 164 Ca -0.47 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.64 2kkz h PRO 164 Cb 1.24 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.35 2kkz h PRO 164 CO 0.94 0.13 0.00 -1.13 -0.21 0.00 0.00 178.00 177.73 2kkz n SER 165 N -3.54 0.00 -3.81 -2.05 3.41 -1.26 -4.03 113.62 102.34 2kkz n SER 165 Ca -0.01 -0.20 -0.28 0.00 -0.26 0.00 0.00 58.87 58.12 2kkz n SER 165 Cb 0.28 -0.21 -0.12 0.00 -0.26 0.00 0.00 64.21 63.90 2kkz n SER 165 CO 0.00 0.00 0.00 -0.36 -0.16 0.00 0.00 175.04 174.52 2kkz s PHE 166 N -2.42 3.04 -1.51 7.33 0.08 -0.47 -4.94 117.98 119.09 2kkz s PHE 166 Ca 0.24 -3.11 0.28 0.00 0.12 0.00 0.00 56.93 54.46 2kkz s PHE 166 Cb 0.15 -2.37 1.04 0.00 -0.57 0.00 0.00 43.02 41.27 2kkz s PHE 166 CO 0.31 -0.62 1.75 -0.35 -0.10 0.00 0.00 175.22 176.21 2kkz n PRO 167 N 2.28 0.55 -3.12 0.24 -0.04 -1.26 -4.41 135.00 129.24 2kkz n PRO 167 Ca 0.20 -0.23 -0.26 0.00 -0.04 0.00 0.00 63.50 63.17 2kkz n PRO 167 Cb 0.37 -1.50 -0.05 0.00 -0.04 0.00 0.00 33.50 32.28 2kkz n PRO 167 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2kkz n GLY 168 N 1.34 5.16 3.76 0.55 0.00 -1.26 -5.00 105.19 109.74 2kkz n GLY 168 Ca 0.12 -2.69 -0.24 0.00 0.00 0.00 0.00 46.02 43.21 2kkz n GLY 168 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 2kkz s HIS 169 N -3.02 3.00 0.28 1.61 -3.43 -1.26 -5.14 115.29 107.33 2kkz s HIS 169 Ca 0.45 -0.11 0.06 0.00 -0.80 0.00 0.00 55.06 54.66 2kkz s HIS 169 Cb 0.24 -1.39 -0.02 0.00 -1.43 0.00 0.00 32.58 29.97 2kkz s HIS 169 CO -0.09 0.54 0.35 0.99 -2.00 0.00 0.00 174.74 174.52 2kkz s THR 170 N -1.99 4.49 0.54 -5.38 2.01 -1.26 -4.52 115.64 109.53 2kkz s THR 170 Ca 0.31 -1.14 0.23 0.00 0.31 0.00 0.00 61.69 61.41 2kkz s THR 170 Cb -0.08 -3.53 0.35 0.00 0.01 0.00 0.00 72.50 69.24 2kkz s THR 170 CO 0.22 -0.26 2.07 -0.29 -0.69 0.00 0.00 174.62 175.67 2kkz h ILE 171 N 1.17 0.75 -0.80 1.82 2.10 -1.73 -2.45 117.51 118.38 2kkz h ILE 171 Ca -0.48 0.00 0.10 0.00 1.08 0.00 0.00 64.86 65.55 2kkz h ILE 171 Cb 1.24 0.84 -0.07 0.00 -1.09 0.00 0.00 36.82 37.74 2kkz h ILE 171 CO 0.58 0.00 0.44 -0.33 -1.08 0.00 0.00 178.15 177.76 2kkz h GLU 172 N 0.00 0.71 -0.42 2.19 5.08 -1.95 -1.89 114.58 118.31 2kkz h GLU 172 Ca 0.14 -0.04 -0.05 0.00 -1.00 0.00 0.00 59.36 58.41 2kkz h GLU 172 Cb 0.58 -0.16 -0.02 0.00 0.50 0.00 0.00 28.75 29.66 2kkz h GLU 172 CO -0.00 0.47 0.08 -0.44 -1.00 0.00 0.00 179.01 178.12 2kkz h ASP 173 N 0.73 0.65 -0.09 1.42 5.19 -1.84 -3.32 116.42 119.17 2kkz h ASP 173 Ca 0.39 -0.25 -0.01 0.00 -0.62 0.00 0.00 57.03 56.54 2kkz h ASP 173 Cb 0.38 -0.17 -0.00 0.00 0.18 0.00 0.00 39.33 39.72 2kkz h ASP 173 CO -0.26 0.74 0.01 0.58 -3.12 0.00 0.00 179.24 177.19 2kkz h VAL 174 N 0.54 1.23 -0.69 -1.35 2.07 -1.43 -2.32 116.25 114.30 2kkz h VAL 174 Ca 0.13 -0.71 0.05 0.00 0.82 0.00 0.00 66.70 66.98 2kkz h VAL 174 Cb 0.36 1.54 -0.04 0.00 -1.52 0.00 0.00 31.29 31.62 2kkz h VAL 174 CO 0.01 0.20 0.45 0.07 0.02 0.00 0.00 177.57 178.32 2kkz h LYS 175 N -0.10 0.73 -0.08 1.57 2.10 -1.46 -0.34 116.57 118.98 2kkz h LYS 175 Ca 0.03 -0.04 -0.16 0.00 -2.00 0.00 0.00 60.65 58.47 2kkz h LYS 175 Cb 0.31 -0.17 0.01 0.00 -0.90 0.00 0.00 32.23 31.48 2kkz h LYS 175 CO 0.00 0.49 -0.58 -0.91 -2.00 0.00 0.00 179.45 176.45 2kkz h ASN 176 N 0.76 0.66 -0.80 7.07 4.21 -1.64 -3.17 115.58 122.67 2kkz h ASN 176 Ca 0.29 -0.67 0.02 0.00 1.21 0.00 0.00 56.30 57.14 2kkz h ASN 176 Cb 0.18 -0.20 -0.04 0.00 -1.12 0.00 0.00 38.32 37.14 2kkz h ASN 176 CO -0.09 1.22 0.52 0.00 -1.29 0.00 0.00 177.43 177.80 2kkz h ALA 177 N 0.45 1.02 -0.76 -0.83 0.00 -0.69 -1.07 119.26 117.38 2kkz h ALA 177 Ca -0.05 -0.05 0.05 0.00 0.00 0.00 0.00 54.91 54.86 2kkz h ALA 177 Cb 1.24 -0.31 -0.05 0.00 0.00 0.00 0.00 17.79 18.67 2kkz h ALA 177 CO 0.12 0.39 0.46 0.82 0.00 0.00 0.00 179.25 181.04 2kkz h ILE 178 N 1.05 1.05 0.00 0.00 2.04 -1.18 -2.20 117.51 118.27 2kkz h ILE 178 Ca 0.30 -0.30 -0.04 0.00 1.00 0.00 0.00 64.86 65.82 2kkz h ILE 178 Cb -0.08 0.10 -0.01 0.00 -0.74 0.00 0.00 36.82 36.09 2kkz h ILE 178 CO -0.08 0.16 -0.21 1.23 0.00 0.00 0.00 178.15 179.25 2kkz h GLY 179 N 0.87 0.00 0.89 5.37 0.00 -1.33 -0.44 103.07 108.43 2kkz h GLY 179 Ca 0.32 0.00 -0.15 0.00 0.00 0.00 0.00 47.33 47.50 2kkz h GLY 179 CO -0.15 0.00 -0.52 -2.08 0.00 0.00 0.00 176.54 173.79 2kkz h VAL 180 N 0.00 1.36 -0.16 4.60 2.07 -0.91 0.10 116.25 123.32 2kkz h VAL 180 Ca -0.00 -1.84 0.01 0.00 0.82 0.00 0.00 66.70 65.69 2kkz h VAL 180 Cb 1.00 2.20 -0.02 0.00 -1.52 0.00 0.00 31.29 32.96 2kkz h VAL 180 CO 0.03 0.55 0.06 0.25 0.02 0.00 0.00 177.57 178.49 2kkz h LEU 181 N 0.13 0.09 -0.52 2.57 5.85 -1.22 -2.03 115.31 120.17 2kkz h LEU 181 Ca -0.04 0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.70 2kkz h LEU 181 Cb 1.16 -0.00 -0.03 0.00 0.37 0.00 0.00 40.66 42.17 2kkz h LEU 181 CO 0.11 0.07 0.33 0.40 -0.34 0.00 0.00 178.44 179.01 2kkz h ILE 182 N 0.15 1.15 -0.96 4.05 2.04 -1.14 -2.20 117.51 120.60 2kkz h ILE 182 Ca 0.07 -0.30 0.08 0.00 1.00 0.00 0.00 64.86 65.70 2kkz h ILE 182 Cb 0.03 0.41 -0.07 0.00 -0.74 0.00 0.00 36.82 36.45 2kkz h ILE 182 CO -0.06 0.15 0.62 1.23 0.00 0.00 0.00 178.15 180.09 2kkz h GLY 183 N 0.71 1.45 1.04 5.37 0.00 -0.72 0.22 103.07 111.14 2kkz h GLY 183 Ca 0.19 -0.43 -0.10 0.00 0.00 0.00 0.00 47.33 46.99 2kkz h GLY 183 CO -0.04 0.28 -0.08 -1.33 0.00 0.00 0.00 176.54 175.37 2kkz h GLY 184 N 1.06 1.00 1.59 4.60 0.00 -1.12 -2.19 103.07 108.01 2kkz h GLY 184 Ca 0.43 -0.80 -0.04 0.00 0.00 0.00 0.00 47.33 46.93 2kkz h GLY 184 CO -0.18 0.73 0.07 1.41 0.00 0.00 0.00 176.54 178.57 2kkz h LEU 185 N 0.79 0.48 -0.35 3.11 3.38 -0.60 -2.56 115.31 119.56 2kkz h LEU 185 Ca 0.13 -0.07 -0.10 0.00 0.09 0.00 0.00 57.88 57.93 2kkz h LEU 185 Cb 0.62 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 41.24 2kkz h LEU 185 CO 0.04 0.50 -0.18 -0.33 0.09 0.00 0.00 178.44 178.57 2kkz h GLU 186 N 0.51 0.74 -0.83 1.13 4.39 -0.43 -2.84 114.58 117.25 2kkz h GLU 186 Ca 0.12 -0.33 0.00 0.00 0.34 0.00 0.00 59.36 59.50 2kkz h GLU 186 Cb 0.23 -0.02 -0.04 0.00 -0.10 0.00 0.00 28.75 28.82 2kkz h GLU 186 CO -0.00 0.94 0.53 0.00 -1.16 0.00 0.00 179.01 179.31 2kkz h ARG 187 N 0.52 1.10 0.00 2.33 3.08 -1.13 -1.92 114.38 118.36 2kkz h ARG 187 Ca 0.08 -0.08 0.00 0.00 0.07 0.00 0.00 59.98 60.05 2kkz h ARG 187 Cb 0.72 -0.24 0.00 0.00 0.08 0.00 0.00 29.97 30.53 2kkz h ARG 187 CO 0.05 0.75 0.00 0.09 -1.07 0.00 0.00 179.97 179.79 2kkz n ASN 188 N -4.39 0.64 -2.78 7.04 4.13 -0.99 -4.44 115.26 114.46 2kkz n ASN 188 Ca 0.09 0.63 -0.03 0.00 1.68 0.00 0.00 54.58 56.95 2kkz n ASN 188 Cb 0.04 -0.77 0.02 0.00 -1.54 0.00 0.00 39.78 37.52 2kkz n ASN 188 CO 0.00 0.00 0.00 -0.67 0.28 0.00 0.00 177.26 176.87 2kkz n ASP 189 N -2.17 -6.36 -0.56 6.41 2.03 -0.72 -4.43 116.55 110.74 2kkz n ASP 189 Ca 0.03 -0.20 0.00 0.00 0.52 0.00 0.00 54.79 55.15 2kkz n ASP 189 Cb 0.28 -4.38 0.00 0.00 -0.72 0.00 0.00 41.12 36.30 2kkz n ASP 189 CO 0.00 0.00 0.00 0.59 -1.92 0.00 0.00 177.20 175.87 2kkz n ASN 190 N -1.96 0.46 -3.67 1.67 3.02 -1.13 -1.73 115.26 111.93 2kkz n ASN 190 Ca -0.02 -0.28 -0.29 0.00 -0.03 0.00 0.00 54.58 53.96 2kkz n ASN 190 Cb 0.53 0.00 -0.15 0.00 -0.61 0.00 0.00 39.78 39.54 2kkz n ASN 190 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 2kkz s THR 191 N 1.42 0.51 0.15 3.41 2.01 -0.37 -4.88 115.64 117.90 2kkz s THR 191 Ca 0.00 -1.10 0.07 0.00 0.31 0.00 0.00 61.69 60.97 2kkz s THR 191 Cb 0.00 -1.37 -0.04 0.00 0.01 0.00 0.00 72.50 71.10 2kkz s THR 191 CO 0.00 -0.65 -0.02 0.68 -0.69 0.00 0.00 174.62 173.94 2kkz s VAL 192 N 1.81 3.69 0.00 3.82 -7.23 -1.26 -1.94 120.40 119.29 2kkz s VAL 192 Ca 0.08 -1.35 0.00 0.00 -1.81 0.00 0.00 61.98 58.91 2kkz s VAL 192 Cb -0.17 -2.82 -0.00 0.00 0.56 0.00 0.00 36.38 33.95 2kkz s VAL 192 CO -0.28 -0.04 -0.01 -0.60 -0.31 0.00 0.00 175.10 173.86 2kkz s ARG 193 N -2.74 0.11 0.20 4.82 3.52 -0.75 -4.96 118.95 119.15 2kkz s ARG 193 Ca 0.26 -0.15 -0.16 0.00 -0.13 0.00 0.00 55.73 55.55 2kkz s ARG 193 Cb -0.10 -0.02 -0.08 0.00 -1.56 0.00 0.00 34.95 33.20 2kkz s ARG 193 CO 0.18 0.00 0.63 0.08 -0.81 0.00 0.00 175.30 175.38 2kkz s VAL 194 N -0.33 4.74 0.48 7.11 1.01 -1.26 -2.01 120.40 130.12 2kkz s VAL 194 Ca -0.03 0.99 -0.24 0.00 0.00 0.00 0.00 61.98 62.70 2kkz s VAL 194 Cb -0.02 -3.76 -0.08 0.00 0.00 0.00 0.00 36.38 32.52 2kkz s VAL 194 CO -0.00 0.16 1.28 -0.24 0.00 0.00 0.00 175.10 176.30 2kkz n SER 195 N 0.59 2.47 -0.36 3.32 2.88 -0.31 -4.80 113.62 117.41 2kkz n SER 195 Ca -0.03 1.04 0.26 0.00 -1.33 0.00 0.00 58.87 58.82 2kkz n SER 195 Cb 0.52 -1.52 0.52 0.00 -0.75 0.00 0.00 64.21 62.98 2kkz n SER 195 CO 0.00 0.00 0.00 0.07 -1.23 0.00 0.00 175.04 173.88 2kkz h LYS 196 N 1.76 0.30 0.30 -1.46 2.10 -1.96 -0.91 116.57 116.70 2kkz h LYS 196 Ca -0.49 -0.02 -0.01 0.00 -2.00 0.00 0.00 60.65 58.13 2kkz h LYS 196 Cb 1.30 -0.07 0.00 0.00 -0.90 0.00 0.00 32.23 32.57 2kkz h LYS 196 CO 0.58 0.20 -0.15 1.79 -2.00 0.00 0.00 179.45 179.88 2kkz h THR 197 N 0.31 0.61 -0.17 0.07 1.35 -1.95 -3.08 112.91 110.04 2kkz h THR 197 Ca 0.70 -0.74 -0.02 0.00 -0.55 0.00 0.00 66.41 65.80 2kkz h THR 197 Cb 1.81 0.94 -0.01 0.00 -1.73 0.00 0.00 68.15 69.16 2kkz h THR 197 CO -0.45 0.13 -0.00 -0.07 -0.25 0.00 0.00 175.52 174.88 2kkz h LEU 198 N -0.87 0.22 0.03 3.87 3.38 -1.71 -0.86 115.31 119.38 2kkz h LEU 198 Ca -0.04 -0.03 -0.00 0.00 0.09 0.00 0.00 57.88 57.90 2kkz h LEU 198 Cb 0.52 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 41.21 2kkz h LEU 198 CO 0.07 0.27 -0.02 1.56 0.09 0.00 0.00 178.44 180.41 2kkz h GLN 199 N 0.25 -0.05 0.00 1.13 4.20 -1.25 -0.05 115.11 119.35 2kkz h GLN 199 Ca 0.06 0.00 -0.00 0.00 0.06 0.00 0.00 58.65 58.77 2kkz h GLN 199 Cb 0.17 0.01 -0.00 0.00 0.30 0.00 0.00 27.48 27.96 2kkz h GLN 199 CO 0.00 0.07 -0.33 0.07 -0.67 0.00 0.00 178.83 177.97 2kkz h ARG 200 N -0.15 0.00 0.00 1.46 -0.00 -1.36 0.57 114.38 114.89 2kkz h ARG 200 Ca -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 59.98 59.98 2kkz h ARG 200 Cb 0.14 0.00 0.00 0.00 -0.00 0.00 0.00 29.97 30.11 2kkz h ARG 200 CO 0.01 0.01 -0.28 0.74 -0.00 0.00 0.00 179.97 180.44 2kkz h PHE 201 N 0.00 0.00 0.00 4.08 0.04 -1.18 -3.47 116.94 116.41 2kkz h PHE 201 Ca -0.00 0.00 -0.17 0.00 2.80 0.00 0.00 57.97 60.60 2kkz h PHE 201 Cb 1.01 0.00 -0.03 0.00 2.20 0.00 0.00 35.95 39.13 2kkz h PHE 201 CO 0.00 0.00 -1.45 0.00 -0.60 0.00 0.00 178.31 176.26 2kkz n ALA 202 N -3.12 2.17 -0.96 2.45 0.00 -0.55 -4.59 120.51 115.91 2kkz n ALA 202 Ca -0.04 -0.47 0.00 0.00 0.00 0.00 0.00 53.44 52.93 2kkz n ALA 202 Cb 0.15 0.30 0.00 0.00 0.00 0.00 0.00 19.45 19.90 2kkz n ALA 202 CO 0.00 0.00 0.00 1.87 0.00 0.00 0.00 177.50 179.37 2kkz n TRP 203 N -3.63 0.00 0.00 0.00 -0.00 -0.14 -4.74 117.44 108.93 2kkz n TRP 203 Ca -0.21 0.00 0.00 0.00 -0.00 0.00 0.00 57.50 57.29 2kkz n TRP 203 Cb 0.59 -0.02 0.00 0.00 -0.00 0.00 0.00 31.31 31.88 2kkz n TRP 203 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 177.69 178.10 2kkz n GLY 204 N -0.31 3.22 0.21 5.87 0.00 0.19 -2.11 105.19 112.26 2kkz n GLY 204 Ca 0.00 0.08 -0.18 0.00 0.00 0.00 0.00 46.02 45.92 2kkz n GLY 204 CO 0.00 0.00 0.00 0.23 0.00 0.00 0.00 173.32 173.55 2kkz h SER 205 N 0.00 0.91 -1.34 1.61 0.87 -1.88 -3.38 113.55 110.35 2kkz h SER 205 Ca 0.00 -0.65 -0.73 0.00 -1.23 0.00 0.00 61.79 59.18 2kkz h SER 205 Cb 0.00 -0.27 -0.13 0.00 -0.44 0.00 0.00 62.40 61.56 2kkz h SER 205 CO 0.00 1.46 2.01 -1.54 -0.53 0.00 0.00 176.83 178.22 2kkz n SER 206 N -3.89 4.92 -4.53 6.23 3.41 -0.89 -4.96 113.62 113.90 2kkz n SER 206 Ca -0.09 -2.99 -0.34 0.00 -0.26 0.00 0.00 58.87 55.20 2kkz n SER 206 Cb 0.81 -1.59 -0.12 0.00 -0.26 0.00 0.00 64.21 63.05 2kkz n SER 206 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 2kkz s ASN 207 N 2.55 4.60 0.31 4.04 2.20 -1.25 -4.66 114.94 122.74 2kkz s ASN 207 Ca 0.45 -0.10 -0.27 0.00 -0.94 0.00 0.00 52.86 52.00 2kkz s ASN 207 Cb 0.05 -1.42 -0.10 0.00 -2.00 0.00 0.00 41.25 37.78 2kkz s ASN 207 CO 0.00 0.27 0.96 -1.61 -2.94 0.00 0.00 177.10 173.79 2kkz s GLU 208 N -0.28 4.62 -0.01 3.55 0.41 -1.26 -5.08 118.70 120.65 2kkz s GLU 208 Ca 0.04 1.42 -0.09 0.00 -0.41 0.00 0.00 54.97 55.93 2kkz s GLU 208 Cb -0.13 -2.93 0.01 0.00 -1.78 0.00 0.00 34.13 29.31 2kkz s GLU 208 CO 0.02 0.30 0.18 1.21 -0.49 0.00 0.00 175.26 176.49 2kkz s ASN 209 N -1.45 -0.05 0.00 -0.19 2.47 -1.26 -4.91 114.94 109.55 2kkz s ASN 209 Ca 0.48 -0.08 0.00 0.00 0.42 0.00 0.00 52.86 53.68 2kkz s ASN 209 Cb -0.22 0.25 0.00 0.00 -1.45 0.00 0.00 41.25 39.84 2kkz s ASN 209 CO 0.27 -0.36 0.00 0.61 -3.72 0.00 0.00 177.10 173.91 2kkz n GLY 210 N 1.57 4.34 2.78 1.21 0.00 -1.26 -5.10 105.19 108.73 2kkz n GLY 210 Ca -0.21 -1.30 -0.16 0.00 0.00 0.00 0.00 46.02 44.34 2kkz n GLY 210 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 2kkz s ARG 211 N -4.42 0.32 -0.15 1.61 3.03 -1.26 -4.66 118.95 113.42 2kkz s ARG 211 Ca 0.00 -0.04 -0.29 0.00 2.03 0.00 0.00 55.73 57.43 2kkz s ARG 211 Cb 0.00 -0.68 -0.06 0.00 -1.03 0.00 0.00 34.95 33.18 2kkz s ARG 211 CO 0.00 -0.96 2.01 -2.14 -1.13 0.00 0.00 175.30 173.08 2kkz s PRO 212 N 2.38 3.56 0.25 3.89 0.02 -1.26 -4.93 135.00 138.91 2kkz s PRO 212 Ca 0.09 2.10 -0.31 0.00 0.02 0.00 0.00 61.00 62.91 2kkz s PRO 212 Cb -0.14 -4.24 -0.11 0.00 0.02 0.00 0.00 34.50 30.02 2kkz s PRO 212 CO -0.29 -1.61 1.62 -2.14 -0.33 0.00 0.00 177.00 174.25 2kkz s PRO 213 N 5.45 4.14 -0.49 5.54 0.02 -1.26 -4.70 135.00 143.71 2kkz s PRO 213 Ca 0.91 2.55 -0.27 0.00 0.02 0.00 0.00 61.00 64.21 2kkz s PRO 213 Cb -0.34 -3.06 -0.04 0.00 0.02 0.00 0.00 34.50 31.08 2kkz s PRO 213 CO 0.36 -0.66 2.13 -0.51 -0.33 0.00 0.00 177.00 177.99 2kkz s LEU 214 N 0.19 3.38 0.61 -5.54 1.43 -1.26 -4.95 118.68 112.54 2kkz s LEU 214 Ca 0.67 0.93 -0.15 0.00 -1.03 0.00 0.00 54.13 54.56 2kkz s LEU 214 Cb -0.48 -2.74 -0.03 0.00 0.03 0.00 0.00 46.19 42.98 2kkz s LEU 214 CO 0.41 -2.48 1.06 0.42 0.23 0.00 0.00 176.35 175.99 2kkz s THR 215 N 10.12 3.85 0.35 5.49 -4.23 -1.26 -5.09 115.64 124.87 2kkz s THR 215 Ca 0.85 0.83 0.08 0.00 -1.18 0.00 0.00 61.69 62.27 2kkz s THR 215 Cb -0.18 -3.39 -0.03 0.00 1.34 0.00 0.00 72.50 70.24 2kkz s THR 215 CO 0.26 -0.56 0.23 -1.48 -0.54 0.00 0.00 174.62 172.52 2kkz s LEU 216 N -4.65 3.38 0.00 4.79 0.05 -1.26 -5.32 118.68 115.66 2kkz s LEU 216 Ca 0.63 -0.70 0.29 0.00 0.05 0.00 0.00 54.13 54.40 2kkz s LEU 216 Cb -0.16 -1.91 1.74 0.00 -2.05 0.00 0.00 46.19 43.81 2kkz s LEU 216 CO 0.40 -0.38 2.08 -0.62 -0.55 0.00 0.00 176.35 177.27