#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 4.38 -0.46 2.12 0.02 -1.26 -4.96 135.00 134.85 2kkz s PRO 85 Ca 0.00 2.12 -0.27 0.00 0.02 0.00 0.00 61.00 62.87 2kkz s PRO 85 Cb 0.00 -3.14 -0.05 0.00 0.02 0.00 0.00 34.50 31.33 2kkz s PRO 85 CO 0.00 -0.21 2.16 0.00 -0.33 0.00 0.00 177.00 178.61 2kkz s ALA 86 N -0.42 2.09 0.32 -1.55 0.00 -1.26 -4.82 121.76 116.12 2kkz s ALA 86 Ca 0.53 -0.02 -0.25 0.00 0.00 0.00 0.00 51.96 52.23 2kkz s ALA 86 Cb -0.38 -4.25 -0.10 0.00 0.00 0.00 0.00 23.12 18.39 2kkz s ALA 86 CO 0.44 -3.84 0.92 0.45 0.00 0.00 0.00 175.76 173.73 2kkz s SER 87 N 9.76 7.28 0.02 0.00 0.15 -1.26 -4.11 113.70 125.53 2kkz s SER 87 Ca 0.88 1.78 -0.17 0.00 0.70 0.00 0.00 55.95 59.14 2kkz s SER 87 Cb -0.19 -2.56 0.03 0.00 -1.71 0.00 0.00 66.02 61.59 2kkz s SER 87 CO 0.27 -0.08 0.37 -0.60 1.20 0.00 0.00 173.24 174.40 2kkz s ARG 88 N -2.14 0.82 -0.32 5.44 3.52 -0.72 -4.99 118.95 120.56 2kkz s ARG 88 Ca 0.50 -0.30 0.03 0.00 -0.13 0.00 0.00 55.73 55.84 2kkz s ARG 88 Cb -0.18 0.36 0.09 0.00 -1.56 0.00 0.00 34.95 33.67 2kkz s ARG 88 CO 0.23 -0.26 0.04 0.71 -0.81 0.00 0.00 175.30 175.20 2kkz s TYR 89 N -2.03 3.40 0.05 5.12 2.02 -1.26 -0.08 117.35 124.58 2kkz s TYR 89 Ca -0.08 -2.73 -0.28 0.00 -0.37 0.00 0.00 57.07 53.61 2kkz s TYR 89 Cb -0.02 -2.62 -0.05 0.00 -0.40 0.00 0.00 41.96 38.87 2kkz s TYR 89 CO 0.00 -0.93 0.90 0.42 -1.57 0.00 0.00 175.55 174.37 2kkz s ILE 90 N 1.03 4.71 -0.62 2.71 -1.09 -0.52 -4.95 121.20 122.47 2kkz s ILE 90 Ca 0.08 1.90 0.04 0.00 -2.23 0.00 0.00 60.65 60.45 2kkz s ILE 90 Cb -0.19 -4.25 0.16 0.00 -1.58 0.00 0.00 42.46 36.60 2kkz s ILE 90 CO -0.10 0.28 0.40 0.42 -1.23 0.00 0.00 174.94 174.71 2kkz s THR 91 N 0.34 2.55 0.29 2.92 -4.23 -1.26 -1.53 115.64 114.72 2kkz s THR 91 Ca 0.45 -3.80 0.08 0.00 -1.18 0.00 0.00 61.69 57.25 2kkz s THR 91 Cb -0.21 -2.71 0.01 0.00 1.34 0.00 0.00 72.50 70.93 2kkz s THR 91 CO 0.27 -0.96 1.67 -0.78 -0.54 0.00 0.00 174.62 174.28 2kkz h ASP 92 N 5.80 0.14 -3.68 3.99 3.58 -1.87 -3.43 116.42 120.95 2kkz h ASP 92 Ca 0.08 -0.07 -0.68 0.00 0.42 0.00 0.00 57.03 56.78 2kkz h ASP 92 Cb 0.81 -0.04 -0.19 0.00 1.72 0.00 0.00 39.33 41.64 2kkz h ASP 92 CO 0.67 0.62 -0.71 0.00 -2.88 0.00 0.00 179.24 176.94 2kkz s MET 93 N -3.93 2.63 0.66 0.28 0.23 -1.25 -4.88 119.30 113.04 2kkz s MET 93 Ca -0.03 -0.64 -0.16 0.00 -1.03 0.00 0.00 55.69 53.82 2kkz s MET 93 Cb 0.13 -2.53 0.00 0.00 -1.53 0.00 0.00 34.83 30.91 2kkz s MET 93 CO 0.77 0.63 1.18 0.95 -2.03 0.00 0.00 175.02 176.52 2kkz s THR 94 N -0.89 2.67 0.50 3.16 -4.23 -1.26 -4.83 115.64 110.76 2kkz s THR 94 Ca 0.14 0.35 0.17 0.00 -1.18 0.00 0.00 61.69 61.18 2kkz s THR 94 Cb -0.11 -2.97 0.25 0.00 1.34 0.00 0.00 72.50 71.01 2kkz s THR 94 CO 0.04 -0.15 2.10 0.40 -0.54 0.00 0.00 174.62 176.47 2kkz h ILE 95 N 0.19 0.99 -0.02 2.99 5.03 -1.97 -0.46 117.51 124.25 2kkz h ILE 95 Ca -0.48 -0.25 -0.00 0.00 -0.12 0.00 0.00 64.86 64.00 2kkz h ILE 95 Cb 1.28 1.14 -0.00 0.00 -3.03 0.00 0.00 36.82 36.21 2kkz h ILE 95 CO 0.53 0.07 0.00 -0.33 -0.68 0.00 0.00 178.15 177.74 2kkz h GLU 96 N 0.00 0.04 0.00 2.37 3.07 -1.95 -0.04 114.58 118.08 2kkz h GLU 96 Ca -0.00 -0.01 -0.04 0.00 -0.50 0.00 0.00 59.36 58.81 2kkz h GLU 96 Cb 0.13 -0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 28.03 2kkz h GLU 96 CO 0.01 0.33 -0.18 1.05 -1.40 0.00 0.00 179.01 178.82 2kkz h GLU 97 N -0.25 0.00 -0.16 2.33 4.11 -1.89 0.04 114.58 118.76 2kkz h GLU 97 Ca 0.01 0.00 -0.12 0.00 0.07 0.00 0.00 59.36 59.32 2kkz h GLU 97 Cb 0.31 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.55 2kkz h GLU 97 CO 0.00 0.18 -0.41 1.25 0.07 0.00 0.00 179.01 180.11 2kkz h LEU 98 N 0.00 0.38 -3.05 3.06 6.46 -1.00 -3.17 115.31 117.99 2kkz h LEU 98 Ca -0.00 -0.16 0.00 0.00 -0.12 0.00 0.00 57.88 57.60 2kkz h LEU 98 Cb 0.92 -0.11 0.00 0.00 -0.73 0.00 0.00 40.66 40.74 2kkz h LEU 98 CO 0.02 0.75 0.00 -0.24 -0.62 0.00 0.00 178.44 178.35 2kkz n SER 99 N -4.03 4.28 -4.75 1.25 2.88 -0.04 -5.03 113.62 108.18 2kkz n SER 99 Ca -0.01 -2.36 -0.36 0.00 -1.33 0.00 0.00 58.87 54.81 2kkz n SER 99 Cb 0.49 -0.51 0.03 0.00 -0.75 0.00 0.00 64.21 63.48 2kkz n SER 99 CO 0.00 0.00 0.00 -0.60 -1.23 0.00 0.00 175.04 173.21 2kkz s ARG 100 N -1.67 2.97 -0.11 -1.46 3.52 -0.06 -5.00 118.95 117.14 2kkz s ARG 100 Ca 0.46 1.81 -0.29 0.00 -0.13 0.00 0.00 55.73 57.58 2kkz s ARG 100 Cb 0.29 -1.93 -0.01 0.00 -1.56 0.00 0.00 34.95 31.73 2kkz s ARG 100 CO 0.23 -1.21 0.99 0.16 -0.81 0.00 0.00 175.30 174.66 2kkz s ASP 101 N -1.62 7.22 0.30 -2.12 -4.77 -1.26 -5.04 116.67 109.38 2kkz s ASP 101 Ca 0.77 1.50 -0.13 0.00 -3.30 0.00 0.00 52.55 51.39 2kkz s ASP 101 Cb -0.30 -2.55 0.01 0.00 -1.09 0.00 0.00 42.92 39.00 2kkz s ASP 101 CO 0.33 -0.44 0.58 -1.66 0.70 0.00 0.00 175.17 174.68 2kkz s TRP 102 N 1.99 0.35 0.02 2.11 1.48 -1.26 -5.02 118.94 118.61 2kkz s TRP 102 Ca 0.47 -0.76 0.01 0.00 -1.06 0.00 0.00 56.10 54.76 2kkz s TRP 102 Cb -0.18 0.36 -0.01 0.00 -1.16 0.00 0.00 33.47 32.47 2kkz s TRP 102 CO 0.18 -1.17 -0.04 -0.59 -4.06 0.00 0.00 176.95 171.27 2kkz s PHE 103 N -3.50 0.31 -0.43 1.66 -0.71 -1.26 -5.10 117.98 108.94 2kkz s PHE 103 Ca 0.21 -0.36 -0.15 0.00 -1.04 0.00 0.00 56.93 55.58 2kkz s PHE 103 Cb -0.02 -0.20 0.04 0.00 -1.21 0.00 0.00 43.02 41.62 2kkz s PHE 103 CO 0.11 -0.11 0.34 0.00 -1.34 0.00 0.00 175.22 174.23 2kkz s MET 104 N -1.02 2.98 0.15 1.99 0.23 -1.26 -4.88 119.30 117.49 2kkz s MET 104 Ca -0.09 -1.11 -0.08 0.00 -1.03 0.00 0.00 55.69 53.38 2kkz s MET 104 Cb -0.07 -4.03 -0.00 0.00 -1.53 0.00 0.00 34.83 29.20 2kkz s MET 104 CO -0.00 -0.85 1.44 1.25 -2.03 0.00 0.00 175.02 174.83 2kkz h LEU 105 N 8.70 0.80 -7.18 0.18 5.85 -1.98 -3.35 115.31 118.34 2kkz h LEU 105 Ca -0.27 -0.44 -0.63 0.00 0.84 0.00 0.00 57.88 57.37 2kkz h LEU 105 Cb 1.12 -0.23 -0.41 0.00 0.37 0.00 0.00 40.66 41.50 2kkz h LEU 105 CO 0.78 1.21 -0.62 -0.04 -0.34 0.00 0.00 178.44 179.43 2kkz s MET 106 N -4.01 2.15 -0.12 1.25 -1.94 -1.26 -4.98 119.30 110.40 2kkz s MET 106 Ca -0.09 -2.94 -0.29 0.00 -1.71 0.00 0.00 55.69 50.65 2kkz s MET 106 Cb 0.10 -3.26 -0.04 0.00 2.01 0.00 0.00 34.83 33.64 2kkz s MET 106 CO 0.87 -1.21 1.65 -1.25 -0.01 0.00 0.00 175.02 175.07 2kkz s PRO 107 N -0.84 4.01 -0.09 2.03 0.04 -1.26 -2.58 135.00 136.32 2kkz s PRO 107 Ca 0.21 1.99 0.04 0.00 0.04 0.00 0.00 61.00 63.28 2kkz s PRO 107 Cb -0.14 -4.01 -0.01 0.00 0.04 0.00 0.00 34.50 30.38 2kkz s PRO 107 CO -0.09 -1.05 -0.22 0.21 0.04 0.00 0.00 177.00 175.90 2kkz s LYS 108 N 4.34 2.94 -0.15 4.56 2.20 -0.69 -5.01 119.74 127.92 2kkz s LYS 108 Ca 0.73 -0.84 0.01 0.00 -0.36 0.00 0.00 55.97 55.51 2kkz s LYS 108 Cb -0.30 -2.32 0.02 0.00 -1.51 0.00 0.00 37.83 33.71 2kkz s LYS 108 CO 0.29 0.26 -0.17 -1.14 -0.36 0.00 0.00 175.35 174.24 2kkz s GLN 109 N 0.15 2.56 -0.27 4.03 0.74 -1.26 -1.39 119.66 124.22 2kkz s GLN 109 Ca -0.12 -0.66 0.01 0.00 0.05 0.00 0.00 55.36 54.64 2kkz s GLN 109 Cb -0.16 -2.26 0.07 0.00 1.10 0.00 0.00 33.01 31.77 2kkz s GLN 109 CO 0.06 -0.20 -0.01 0.21 -0.55 0.00 0.00 175.29 174.81 2kkz s LYS 110 N 1.33 1.44 0.02 1.67 2.47 -0.57 -5.00 119.74 121.10 2kkz s LYS 110 Ca 0.03 -1.15 -0.30 0.00 -1.56 0.00 0.00 55.97 52.98 2kkz s LYS 110 Cb -0.13 -2.59 -0.05 0.00 -1.46 0.00 0.00 37.83 33.60 2kkz s LYS 110 CO -0.10 -0.72 1.17 0.08 0.16 0.00 0.00 175.35 175.94 2kkz s VAL 111 N 1.35 4.22 -0.58 4.02 1.01 -1.26 -0.98 120.40 128.17 2kkz s VAL 111 Ca -0.00 1.58 0.04 0.00 0.00 0.00 0.00 61.98 63.60 2kkz s VAL 111 Cb -0.19 -4.01 0.15 0.00 0.00 0.00 0.00 36.38 32.33 2kkz s VAL 111 CO -0.10 0.08 0.36 -0.70 0.00 0.00 0.00 175.10 174.75 2kkz s GLU 112 N 1.41 2.02 6.63 2.72 2.56 -0.14 -4.92 118.70 128.97 2kkz s GLU 112 Ca 0.57 -2.82 0.00 0.00 0.00 0.00 0.00 54.97 52.72 2kkz s GLU 112 Cb -0.27 -3.11 0.00 0.00 2.00 0.00 0.00 34.13 32.75 2kkz s GLU 112 CO 0.27 -1.21 0.00 0.41 -0.56 0.00 0.00 175.26 174.17 2kkz n GLY 113 N 2.67 2.11 0.67 -1.50 0.00 -1.26 -2.14 105.19 105.73 2kkz n GLY 113 Ca 0.13 0.06 0.07 0.00 0.00 0.00 0.00 46.02 46.28 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 4.14 1.85 -4.26 1.61 -0.04 -1.26 -4.91 135.00 132.12 2kkz n PRO 114 Ca 0.00 -1.31 -0.16 0.00 -0.04 0.00 0.00 63.50 61.99 2kkz n PRO 114 Cb 0.00 -1.30 -0.10 0.00 -0.04 0.00 0.00 33.50 32.05 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 -1.08 2.50 -0.15 1.53 1.43 -0.91 -1.51 118.68 120.49 2kkz s LEU 115 Ca 0.26 -0.95 0.00 0.00 -1.03 0.00 0.00 54.13 52.41 2kkz s LEU 115 Cb 0.14 -0.47 0.03 0.00 0.03 0.00 0.00 46.19 45.91 2kkz s LEU 115 CO 0.18 -0.24 -0.12 0.00 0.23 0.00 0.00 176.35 176.40 2kkz s ILE 117 N 1.52 4.57 -0.09 0.00 -1.09 -0.15 -1.95 121.20 124.01 2kkz s ILE 117 Ca 0.04 1.40 0.04 0.00 -2.23 0.00 0.00 60.65 59.90 2kkz s ILE 117 Cb -0.13 -3.98 0.00 0.00 -1.58 0.00 0.00 42.46 36.77 2kkz s ILE 117 CO -0.10 0.47 -0.21 -0.13 -1.23 0.00 0.00 174.94 173.75 2kkz s ARG 118 N -1.30 2.68 -0.11 2.79 1.81 0.74 -1.51 118.95 124.06 2kkz s ARG 118 Ca 0.34 -0.75 0.01 0.00 -1.72 0.00 0.00 55.73 53.60 2kkz s ARG 118 Cb -0.20 -2.06 0.02 0.00 -0.45 0.00 0.00 34.95 32.26 2kkz s ARG 118 CO 0.22 0.14 -0.11 0.42 -0.68 0.00 0.00 175.30 175.29 2kkz s ILE 119 N 0.43 1.19 -0.35 1.52 1.01 -0.48 -1.56 121.20 122.95 2kkz s ILE 119 Ca -0.18 -0.42 -0.18 0.00 0.00 0.00 0.00 60.65 59.87 2kkz s ILE 119 Cb -0.17 -1.15 -0.00 0.00 0.01 0.00 0.00 42.46 41.15 2kkz s ILE 119 CO 0.08 0.39 0.49 -0.62 0.00 0.00 0.00 174.94 175.27 2kkz s ASP 120 N 1.36 6.29 0.02 3.58 2.15 -0.59 -1.71 116.67 127.77 2kkz s ASP 120 Ca -0.01 -0.09 0.28 0.00 0.43 0.00 0.00 52.55 53.16 2kkz s ASP 120 Cb -0.14 -2.26 1.00 0.00 -0.30 0.00 0.00 42.92 41.23 2kkz s ASP 120 CO -0.05 -0.47 1.77 0.00 -0.17 0.00 0.00 175.17 176.25 2kkz n GLN 121 N 5.69 0.03 0.02 4.34 6.02 -1.06 -4.03 117.38 128.39 2kkz n GLN 121 Ca -0.05 0.02 -0.19 0.00 -0.01 0.00 0.00 57.00 56.76 2kkz n GLN 121 Cb 0.49 -1.53 -0.10 0.00 1.02 0.00 0.00 30.24 30.12 2kkz n GLN 121 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 2kkz h ALA 122 N 2.95 0.12 -1.99 -1.58 0.00 -1.93 -3.43 119.26 113.41 2kkz h ALA 122 Ca 0.00 -0.64 -0.59 0.00 0.00 0.00 0.00 54.91 53.68 2kkz h ALA 122 Cb 0.52 0.04 -0.09 0.00 0.00 0.00 0.00 17.79 18.27 2kkz h ALA 122 CO 0.00 0.56 0.63 0.42 0.00 0.00 0.00 179.25 180.86 2kkz s ILE 123 N -3.31 4.53 0.24 0.00 1.09 -1.26 -5.02 121.20 117.47 2kkz s ILE 123 Ca -0.11 1.11 0.03 0.00 -1.10 0.00 0.00 60.65 60.59 2kkz s ILE 123 Cb 0.06 -4.38 -0.05 0.00 -1.06 0.00 0.00 42.46 37.03 2kkz s ILE 123 CO 0.88 -0.64 0.01 -0.04 -0.10 0.00 0.00 174.94 175.06 2kkz s MET 124 N 3.62 1.36 -1.55 2.79 -1.94 -1.26 -4.87 119.30 117.45 2kkz s MET 124 Ca 0.39 -1.70 -0.03 0.00 -1.71 0.00 0.00 55.69 52.64 2kkz s MET 124 Cb -0.11 -0.61 0.01 0.00 2.01 0.00 0.00 34.83 36.13 2kkz s MET 124 CO 0.21 -0.12 0.31 -3.47 -0.01 0.00 0.00 175.02 171.94 2kkz n ASP 125 N -0.44 -5.52 -4.41 3.03 2.03 -1.15 -5.00 116.55 105.10 2kkz n ASP 125 Ca -0.05 -0.14 -0.26 0.00 0.52 0.00 0.00 54.79 54.86 2kkz n ASP 125 Cb 0.64 -4.54 -0.12 0.00 -0.72 0.00 0.00 41.12 36.38 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 -5.42 1.47 -0.50 -0.67 -0.14 -1.26 -4.95 119.74 108.27 2kkz s LYS 126 Ca 0.17 -1.49 -0.21 0.00 -1.36 0.00 0.00 55.97 53.07 2kkz s LYS 126 Cb -0.08 -1.78 0.04 0.00 -1.68 0.00 0.00 37.83 34.34 2kkz s LYS 126 CO 0.21 0.39 0.74 -0.80 -0.76 0.00 0.00 175.35 175.12 2kkz s ASN 127 N -2.61 6.30 -0.15 2.83 0.01 -1.26 -1.74 114.94 118.32 2kkz s ASN 127 Ca 0.19 -0.55 -0.04 0.00 -0.71 0.00 0.00 52.86 51.76 2kkz s ASN 127 Cb -0.08 -2.35 -0.03 0.00 0.41 0.00 0.00 41.25 39.20 2kkz s ASN 127 CO 0.09 -0.97 -0.02 -0.63 -1.51 0.00 0.00 177.10 174.06 2kkz s ILE 128 N 3.13 4.05 -0.18 0.60 1.01 -0.18 -3.41 121.20 126.22 2kkz s ILE 128 Ca 0.23 -0.30 -0.04 0.00 0.00 0.00 0.00 60.65 60.54 2kkz s ILE 128 Cb -0.15 -2.78 -0.02 0.00 0.01 0.00 0.00 42.46 39.52 2kkz s ILE 128 CO 0.17 0.50 -0.04 -0.32 0.00 0.00 0.00 174.94 175.25 2kkz s MET 129 N 0.26 3.57 -0.60 2.79 -2.45 -0.17 -1.53 119.30 121.16 2kkz s MET 129 Ca -0.02 -0.56 -0.23 0.00 -1.25 0.00 0.00 55.69 53.63 2kkz s MET 129 Cb -0.14 -2.95 0.06 0.00 1.25 0.00 0.00 34.83 33.05 2kkz s MET 129 CO 0.02 0.09 0.93 -0.51 1.05 0.00 0.00 175.02 176.60 2kkz s LEU 130 N 0.77 4.30 -0.13 4.11 1.43 -0.57 -1.18 118.68 127.40 2kkz s LEU 130 Ca -0.01 -0.70 -0.02 0.00 -1.03 0.00 0.00 54.13 52.37 2kkz s LEU 130 Cb -0.15 -2.60 -0.03 0.00 0.03 0.00 0.00 46.19 43.45 2kkz s LEU 130 CO 0.02 -1.30 -0.07 -0.54 0.23 0.00 0.00 176.35 174.69 2kkz s LYS 131 N 3.91 3.39 0.06 1.70 1.02 -0.07 -1.84 119.74 127.91 2kkz s LYS 131 Ca 0.25 -0.56 0.01 0.00 0.02 0.00 0.00 55.97 55.69 2kkz s LYS 131 Cb -0.15 -2.77 -0.03 0.00 -0.52 0.00 0.00 37.83 34.36 2kkz s LYS 131 CO 0.14 0.34 -0.06 0.00 -0.92 0.00 0.00 175.35 174.85 2kkz s ALA 132 N 0.07 0.65 -0.15 5.17 0.00 -1.26 -1.26 121.76 124.99 2kkz s ALA 132 Ca -0.02 -1.01 -0.01 0.00 0.00 0.00 0.00 51.96 50.92 2kkz s ALA 132 Cb -0.14 0.13 -0.02 0.00 0.00 0.00 0.00 23.12 23.10 2kkz s ALA 132 CO 0.03 -0.16 -0.10 -0.80 0.00 0.00 0.00 175.76 174.73 2kkz s ASN 133 N -2.27 4.20 0.19 0.00 0.01 -0.72 -2.39 114.94 113.96 2kkz s ASN 133 Ca -0.01 -0.30 -0.19 0.00 -0.71 0.00 0.00 52.86 51.65 2kkz s ASN 133 Cb -0.02 -1.66 0.04 0.00 0.41 0.00 0.00 41.25 40.02 2kkz s ASN 133 CO -0.03 0.14 0.56 0.72 -1.51 0.00 0.00 177.10 176.98 2kkz s PHE 134 N 0.52 -0.26 0.47 2.20 -0.71 -0.58 -2.04 117.98 117.58 2kkz s PHE 134 Ca -0.07 -0.05 -0.10 0.00 -1.04 0.00 0.00 56.93 55.67 2kkz s PHE 134 Cb -0.15 0.47 -0.05 0.00 -1.21 0.00 0.00 43.02 42.08 2kkz s PHE 134 CO 0.04 -0.92 0.83 0.45 -1.34 0.00 0.00 175.22 174.27 2kkz s SER 135 N -2.84 6.41 0.00 1.98 0.15 -0.05 -1.44 113.70 117.92 2kkz s SER 135 Ca 0.06 1.15 -0.00 0.00 0.70 0.00 0.00 55.95 57.86 2kkz s SER 135 Cb -0.01 -2.34 -0.00 0.00 -1.71 0.00 0.00 66.02 61.95 2kkz s SER 135 CO -0.05 -0.53 0.00 -0.69 1.20 0.00 0.00 173.24 173.17 2kkz s VAL 136 N -2.61 0.03 -0.07 4.45 1.01 0.89 -0.93 120.40 123.17 2kkz s VAL 136 Ca 0.51 -0.27 -0.15 0.00 0.00 0.00 0.00 61.98 62.08 2kkz s VAL 136 Cb -0.10 -0.10 0.03 0.00 0.00 0.00 0.00 36.38 36.21 2kkz s VAL 136 CO 0.38 -0.15 0.35 -0.51 0.00 0.00 0.00 175.10 175.18 2kkz s ILE 137 N -0.43 0.03 -2.04 2.22 1.10 -0.36 -1.76 121.20 119.96 2kkz s ILE 137 Ca -0.05 -0.25 0.00 0.00 -0.51 0.00 0.00 60.65 59.85 2kkz s ILE 137 Cb -0.03 -0.59 0.00 0.00 0.15 0.00 0.00 42.46 41.99 2kkz s ILE 137 CO -0.00 -0.14 0.00 0.49 -2.11 0.00 0.00 174.94 173.18 2kkz n PHE 138 N 1.96 -0.27 -3.61 3.50 3.72 -1.26 -1.47 117.46 120.03 2kkz n PHE 138 Ca -0.18 0.00 -0.25 0.00 -0.05 0.00 0.00 57.45 56.97 2kkz n PHE 138 Cb 0.57 -3.55 0.07 0.00 -0.94 0.00 0.00 39.48 35.63 2kkz n PHE 138 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 176.76 176.46 2kkz n ASP 139 N -1.45 -6.11 -3.99 4.37 9.92 -1.26 -4.83 116.55 113.19 2kkz n ASP 139 Ca -0.21 -0.56 -0.09 0.00 -0.53 0.00 0.00 54.79 53.39 2kkz n ASP 139 Cb 0.67 -4.82 -0.08 0.00 -0.64 0.00 0.00 41.12 36.25 2kkz n ASP 139 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 2kkz s ARG 140 N -6.33 0.96 -0.08 -1.24 1.70 -0.54 -3.38 118.95 110.04 2kkz s ARG 140 Ca 0.58 -1.18 -0.29 0.00 -0.47 0.00 0.00 55.73 54.36 2kkz s ARG 140 Cb -0.26 0.32 -0.06 0.00 -0.57 0.00 0.00 34.95 34.37 2kkz s ARG 140 CO 0.72 -0.31 1.86 -1.17 -1.08 0.00 0.00 175.30 175.32 2kkz s LEU 141 N -2.95 4.13 -0.09 -1.89 0.20 -0.77 -1.22 118.68 116.08 2kkz s LEU 141 Ca 0.14 2.21 -0.00 0.00 0.69 0.00 0.00 54.13 57.17 2kkz s LEU 141 Cb 0.05 -3.53 -0.00 0.00 -0.43 0.00 0.00 46.19 42.28 2kkz s LEU 141 CO -0.04 -1.22 0.02 -0.08 -0.29 0.00 0.00 176.35 174.74 2kkz h GLU 142 N 11.13 -0.01 -2.96 1.98 4.22 -1.32 -3.38 114.58 124.24 2kkz h GLU 142 Ca -0.42 0.00 -0.17 0.00 0.08 0.00 0.00 59.36 58.85 2kkz h GLU 142 Cb 1.21 0.00 -0.28 0.00 0.50 0.00 0.00 28.75 30.18 2kkz h GLU 142 CO 0.96 -0.01 -0.43 0.99 -2.18 0.00 0.00 179.01 178.34 2kkz s THR 143 N -1.56 -0.03 0.07 0.32 2.01 -1.23 -4.18 115.64 111.04 2kkz s THR 143 Ca -0.00 0.11 -0.30 0.00 0.31 0.00 0.00 61.69 61.80 2kkz s THR 143 Cb 0.00 -0.43 -0.05 0.00 0.01 0.00 0.00 72.50 72.03 2kkz s THR 143 CO 0.01 0.04 1.09 -0.22 -0.69 0.00 0.00 174.62 174.85 2kkz s LEU 144 N 1.05 4.41 -0.15 4.42 2.96 -1.26 -0.88 118.68 129.23 2kkz s LEU 144 Ca -0.07 1.91 -0.19 0.00 -0.22 0.00 0.00 54.13 55.55 2kkz s LEU 144 Cb -0.08 -3.58 -0.24 0.00 0.50 0.00 0.00 46.19 42.79 2kkz s LEU 144 CO -0.07 -0.32 0.43 0.40 -1.32 0.00 0.00 176.35 175.46 2kkz h ILE 145 N 4.39 1.05 -1.60 6.68 5.03 -1.77 -3.46 117.51 127.84 2kkz h ILE 145 Ca -0.42 -2.30 0.07 0.00 -0.12 0.00 0.00 64.86 62.09 2kkz h ILE 145 Cb 1.22 2.58 -0.23 0.00 -3.03 0.00 0.00 36.82 37.36 2kkz h ILE 145 CO 0.77 0.54 0.51 -0.22 -0.68 0.00 0.00 178.15 179.07 2kkz s LEU 146 N -7.73 -0.40 -0.01 1.44 2.96 -0.98 -4.53 118.68 109.43 2kkz s LEU 146 Ca -0.24 0.47 0.02 0.00 -0.22 0.00 0.00 54.13 54.17 2kkz s LEU 146 Cb 0.04 1.92 -0.01 0.00 0.50 0.00 0.00 46.19 48.65 2kkz s LEU 146 CO 0.68 -0.35 -0.08 -0.22 -1.32 0.00 0.00 176.35 175.07 2kkz s LEU 147 N -0.99 2.02 -0.02 -0.68 0.20 -0.77 -1.75 118.68 116.69 2kkz s LEU 147 Ca -0.02 -0.14 -0.08 0.00 0.69 0.00 0.00 54.13 54.58 2kkz s LEU 147 Cb -0.01 -0.39 0.01 0.00 -0.43 0.00 0.00 46.19 45.37 2kkz s LEU 147 CO 0.02 0.09 0.17 -0.13 -0.29 0.00 0.00 176.35 176.21 2kkz s ARG 148 N -0.19 0.45 -0.38 1.98 0.52 -0.39 -0.81 118.95 120.13 2kkz s ARG 148 Ca 0.03 -0.22 -0.11 0.00 -0.52 0.00 0.00 55.73 54.91 2kkz s ARG 148 Cb -0.03 0.19 0.04 0.00 0.52 0.00 0.00 34.95 35.67 2kkz s ARG 148 CO -0.00 -0.10 0.21 0.00 0.02 0.00 0.00 175.30 175.43 2kkz s ALA 149 N -1.03 3.27 -0.22 2.13 0.00 0.10 -0.89 121.76 125.12 2kkz s ALA 149 Ca -0.11 -1.80 -0.07 0.00 0.00 0.00 0.00 51.96 49.99 2kkz s ALA 149 Cb -0.06 -2.59 -0.03 0.00 0.00 0.00 0.00 23.12 20.44 2kkz s ALA 149 CO 0.02 -1.44 0.05 -0.06 0.00 0.00 0.00 175.76 174.32 2kkz s PHE 150 N 1.53 3.11 0.52 0.00 0.40 -0.33 -1.12 117.98 122.09 2kkz s PHE 150 Ca 0.02 -0.30 -0.09 0.00 -0.60 0.00 0.00 56.93 55.96 2kkz s PHE 150 Cb -0.20 -2.15 0.13 0.00 0.51 0.00 0.00 43.02 41.31 2kkz s PHE 150 CO 0.06 -0.19 0.53 0.25 0.70 0.00 0.00 175.22 176.57 2kkz n THR 151 N 4.34 0.00 0.21 0.64 -2.24 -0.94 -1.00 114.28 115.29 2kkz n THR 151 Ca -0.17 -0.29 0.08 0.00 -2.27 0.00 0.00 64.05 61.41 2kkz n THR 151 Cb 0.52 -1.31 0.46 0.00 -2.10 0.00 0.00 70.33 67.90 2kkz n THR 151 CO 0.00 0.00 0.00 -0.33 -0.57 0.00 0.00 175.07 174.17 2kkz h GLU 152 N 0.00 0.00 -0.00 -0.78 3.07 -1.92 -0.98 114.58 113.97 2kkz h GLU 152 Ca -0.19 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.67 2kkz h GLU 152 Cb 0.56 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.47 2kkz h GLU 152 CO 0.13 0.27 -0.16 -0.85 -1.40 0.00 0.00 179.01 177.01 2kkz n GLU 153 N -3.56 0.24 -1.33 2.33 0.28 -1.26 -4.94 120.64 112.39 2kkz n GLU 153 Ca -0.01 -0.07 -0.01 0.00 -0.16 0.00 0.00 57.16 56.91 2kkz n GLU 153 Cb 0.42 -1.50 -0.00 0.00 1.43 0.00 0.00 31.44 31.79 2kkz n GLU 153 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 2kkz n GLY 154 N 1.42 0.42 3.70 -1.84 0.00 -0.37 -5.03 105.19 103.49 2kkz n GLY 154 Ca 0.09 -0.98 -0.42 0.00 0.00 0.00 0.00 46.02 44.71 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 -2.04 3.29 -0.69 4.61 0.00 -1.26 -4.70 121.76 120.97 2kkz s ALA 155 Ca 0.00 0.44 -0.26 0.00 0.00 0.00 0.00 51.96 52.14 2kkz s ALA 155 Cb 0.00 -3.38 0.04 0.00 0.00 0.00 0.00 23.12 19.78 2kkz s ALA 155 CO 0.00 -0.42 1.19 0.42 0.00 0.00 0.00 175.76 176.95 2kkz s ILE 156 N 1.52 3.92 -0.24 0.00 1.09 -1.25 -2.22 121.20 124.02 2kkz s ILE 156 Ca 0.50 0.35 0.13 0.00 -1.10 0.00 0.00 60.65 60.53 2kkz s ILE 156 Cb -0.19 -4.82 0.53 0.00 -1.06 0.00 0.00 42.46 36.91 2kkz s ILE 156 CO 0.22 -1.66 1.47 1.33 -0.10 0.00 0.00 174.94 176.20 2kkz n VAL 157 N 6.34 2.45 0.00 2.92 0.24 -0.27 -4.72 118.33 125.28 2kkz n VAL 157 Ca 0.03 -2.22 0.00 0.00 -2.04 0.00 0.00 64.34 60.10 2kkz n VAL 157 Cb 0.48 -0.29 0.00 0.00 -1.47 0.00 0.00 33.84 32.56 2kkz n VAL 157 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2kkz n GLY 158 N -0.79 1.42 3.57 7.63 0.00 -1.25 -1.54 105.19 114.23 2kkz n GLY 158 Ca 0.28 -0.38 -0.08 0.00 0.00 0.00 0.00 46.02 45.84 2kkz n GLY 158 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2kkz s GLU 159 N -2.00 0.66 -0.43 1.61 2.12 -0.60 -0.72 118.70 119.33 2kkz s GLU 159 Ca 0.00 1.13 -0.08 0.00 0.36 0.00 0.00 54.97 56.38 2kkz s GLU 159 Cb 0.00 0.12 0.09 0.00 0.26 0.00 0.00 34.13 34.61 2kkz s GLU 159 CO 0.00 -0.15 0.28 0.42 -0.54 0.00 0.00 175.26 175.27 2kkz s ILE 160 N 1.53 4.12 -0.25 -3.70 1.01 0.01 -0.19 121.20 123.72 2kkz s ILE 160 Ca -0.09 -1.58 -0.08 0.00 0.00 0.00 0.00 60.65 58.89 2kkz s ILE 160 Cb -0.06 -3.60 -0.04 0.00 0.01 0.00 0.00 42.46 38.77 2kkz s ILE 160 CO -0.18 -0.60 0.10 -0.55 0.00 0.00 0.00 174.94 173.72 2kkz s SER 161 N 2.26 5.43 -0.02 3.58 0.15 -0.82 -1.85 113.70 122.43 2kkz s SER 161 Ca 0.04 -0.13 -0.35 0.00 0.70 0.00 0.00 55.95 56.22 2kkz s SER 161 Cb -0.24 -1.98 -0.13 0.00 -1.71 0.00 0.00 66.02 61.96 2kkz s SER 161 CO 0.01 -0.02 1.74 -2.65 1.20 0.00 0.00 173.24 173.52 2kkz n PRO 162 N 4.86 2.03 -2.06 5.44 -0.02 -1.26 -1.68 135.00 142.32 2kkz n PRO 162 Ca -0.16 0.74 -0.42 0.00 -2.02 0.00 0.00 63.50 61.64 2kkz n PRO 162 Cb 0.52 -2.54 -0.03 0.00 -0.02 0.00 0.00 33.50 31.43 2kkz n PRO 162 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 2kkz s LEU 163 N 2.83 4.36 0.38 2.45 1.43 -0.57 -4.92 118.68 124.64 2kkz s LEU 163 Ca 0.88 2.38 0.27 0.00 -1.03 0.00 0.00 54.13 56.64 2kkz s LEU 163 Cb -0.73 -3.57 1.35 0.00 0.03 0.00 0.00 46.19 43.26 2kkz s LEU 163 CO 0.48 -0.78 1.82 -0.65 0.23 0.00 0.00 176.35 177.46 2kkz h PRO 164 N 7.53 0.00 -0.05 1.29 0.11 -1.92 -1.63 132.00 137.33 2kkz h PRO 164 Ca -0.41 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.70 2kkz h PRO 164 Cb 1.20 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.31 2kkz h PRO 164 CO 0.90 0.00 0.00 0.43 -0.21 0.00 0.00 178.00 179.12 2kkz n SER 165 N -2.47 1.21 -3.63 -2.05 7.64 -1.26 -4.43 113.62 108.63 2kkz n SER 165 Ca -0.01 -1.47 -0.28 0.00 1.01 0.00 0.00 58.87 58.13 2kkz n SER 165 Cb 0.12 -0.03 -0.11 0.00 -1.01 0.00 0.00 64.21 63.18 2kkz n SER 165 CO 0.00 0.00 0.00 -0.36 -3.01 0.00 0.00 175.04 171.67 2kkz s PHE 166 N -1.95 2.05 -0.96 1.43 0.40 -0.61 -5.08 117.98 113.26 2kkz s PHE 166 Ca 0.38 -2.62 -0.24 0.00 -0.60 0.00 0.00 56.93 53.84 2kkz s PHE 166 Cb 0.20 -1.70 -0.01 0.00 0.51 0.00 0.00 43.02 42.01 2kkz s PHE 166 CO 0.32 -0.73 1.76 -1.25 0.70 0.00 0.00 175.22 176.01 2kkz s PRO 167 N -0.27 2.96 0.00 0.24 0.04 -1.26 -4.66 135.00 132.05 2kkz s PRO 167 Ca 0.26 -0.65 0.00 0.00 0.04 0.00 0.00 61.00 60.65 2kkz s PRO 167 Cb -0.07 -5.19 0.00 0.00 0.04 0.00 0.00 34.50 29.28 2kkz s PRO 167 CO -0.13 -2.95 0.00 0.41 0.04 0.00 0.00 177.00 174.38 2kkz n GLY 168 N 6.81 2.25 3.15 0.56 0.00 -1.26 -5.16 105.19 111.55 2kkz n GLY 168 Ca 0.38 -1.39 -0.10 0.00 0.00 0.00 0.00 46.02 44.91 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 -0.12 0.88 0.35 1.61 -3.43 -1.26 -5.08 115.29 108.24 2kkz s HIS 169 Ca 0.00 -1.24 -0.01 0.00 -0.80 0.00 0.00 55.06 53.01 2kkz s HIS 169 Cb 0.00 -0.48 -0.04 0.00 -1.43 0.00 0.00 32.58 30.63 2kkz s HIS 169 CO 0.00 -0.52 0.58 0.99 -2.00 0.00 0.00 174.74 173.79 2kkz s THR 170 N -4.05 5.07 0.36 -5.38 2.01 -1.26 -4.64 115.64 107.74 2kkz s THR 170 Ca 0.25 -0.28 0.12 0.00 0.31 0.00 0.00 61.69 62.09 2kkz s THR 170 Cb 0.07 -3.84 0.34 0.00 0.01 0.00 0.00 72.50 69.09 2kkz s THR 170 CO 0.02 -0.56 1.80 -0.29 -0.69 0.00 0.00 174.62 174.90 2kkz h ILE 171 N 0.79 0.66 -0.40 1.82 2.10 -1.74 -2.43 117.51 118.30 2kkz h ILE 171 Ca -0.49 -0.20 -0.06 0.00 1.08 0.00 0.00 64.86 65.19 2kkz h ILE 171 Cb 1.21 0.02 -0.02 0.00 -1.09 0.00 0.00 36.82 36.95 2kkz h ILE 171 CO 0.62 0.11 0.02 -0.33 -1.08 0.00 0.00 178.15 177.49 2kkz h GLU 172 N 0.58 0.63 -0.65 2.19 5.08 -1.92 -1.25 114.58 119.25 2kkz h GLU 172 Ca 0.55 -0.14 -0.06 0.00 -1.00 0.00 0.00 59.36 58.70 2kkz h GLU 172 Cb 1.10 -0.09 -0.03 0.00 0.50 0.00 0.00 28.75 30.24 2kkz h GLU 172 CO -0.30 0.64 0.15 -0.44 -1.00 0.00 0.00 179.01 178.05 2kkz h ASP 173 N 0.60 0.97 -0.25 1.42 3.32 -1.84 -2.54 116.42 118.10 2kkz h ASP 173 Ca 0.13 -0.20 -0.11 0.00 0.02 0.00 0.00 57.03 56.87 2kkz h ASP 173 Cb 0.35 -0.25 -0.01 0.00 0.22 0.00 0.00 39.33 39.64 2kkz h ASP 173 CO 0.01 0.94 -0.23 0.58 -1.72 0.00 0.00 179.24 178.81 2kkz h VAL 174 N 0.97 1.27 -0.85 -1.35 2.07 -1.27 -2.02 116.25 115.08 2kkz h VAL 174 Ca 0.20 -1.34 -0.03 0.00 0.82 0.00 0.00 66.70 66.36 2kkz h VAL 174 Cb 0.36 1.24 -0.04 0.00 -1.52 0.00 0.00 31.29 31.33 2kkz h VAL 174 CO 0.00 0.44 0.43 0.11 0.02 0.00 0.00 177.57 178.57 2kkz h LYS 175 N 0.64 1.21 -0.19 1.57 1.57 -1.03 0.00 116.57 120.34 2kkz h LYS 175 Ca 0.09 -0.17 -0.00 0.00 -1.87 0.00 0.00 60.65 58.70 2kkz h LYS 175 Cb 0.73 -0.22 -0.01 0.00 0.08 0.00 0.00 32.23 32.81 2kkz h LYS 175 CO 0.06 0.92 0.11 -0.91 -0.57 0.00 0.00 179.45 179.05 2kkz h ASN 176 N 1.20 0.22 -0.12 0.86 2.35 -1.34 -2.83 115.58 115.93 2kkz h ASN 176 Ca 0.29 -0.05 -0.00 0.00 -0.55 0.00 0.00 56.30 55.98 2kkz h ASN 176 Cb 0.09 -0.06 -0.01 0.00 0.05 0.00 0.00 38.32 38.40 2kkz h ASN 176 CO -0.04 0.21 0.05 0.00 -1.65 0.00 0.00 177.43 176.01 2kkz h ALA 177 N 1.02 0.15 -0.83 -0.83 0.00 -0.78 -2.16 119.26 115.83 2kkz h ALA 177 Ca 0.07 -0.08 0.01 0.00 0.00 0.00 0.00 54.91 54.91 2kkz h ALA 177 Cb 0.03 -0.05 -0.04 0.00 0.00 0.00 0.00 17.79 17.73 2kkz h ALA 177 CO -0.01 -0.28 0.55 0.82 0.00 0.00 0.00 179.25 180.32 2kkz h ILE 178 N 0.06 1.19 -0.41 0.00 2.04 -1.08 -2.25 117.51 117.05 2kkz h ILE 178 Ca 0.04 -0.38 -0.01 0.00 1.00 0.00 0.00 64.86 65.51 2kkz h ILE 178 Cb 0.13 -0.01 -0.02 0.00 -0.74 0.00 0.00 36.82 36.18 2kkz h ILE 178 CO -0.00 0.20 0.20 1.23 0.00 0.00 0.00 178.15 179.78 2kkz h GLY 179 N 1.10 0.60 0.87 5.37 0.00 -1.21 -0.41 103.07 109.39 2kkz h GLY 179 Ca 0.31 -0.26 -0.11 0.00 0.00 0.00 0.00 47.33 47.28 2kkz h GLY 179 CO -0.08 0.25 -0.29 -2.08 0.00 0.00 0.00 176.54 174.34 2kkz h VAL 180 N 0.57 1.34 -0.63 4.60 2.07 -0.87 -1.40 116.25 121.92 2kkz h VAL 180 Ca 0.15 -1.51 0.01 0.00 0.82 0.00 0.00 66.70 66.17 2kkz h VAL 180 Cb 0.05 1.84 -0.03 0.00 -1.52 0.00 0.00 31.29 31.63 2kkz h VAL 180 CO -0.02 0.46 0.41 0.25 0.02 0.00 0.00 177.57 178.69 2kkz h LEU 181 N 0.20 0.71 0.15 2.57 5.85 -0.99 -1.18 115.31 122.63 2kkz h LEU 181 Ca 0.02 -0.02 -0.01 0.00 0.84 0.00 0.00 57.88 58.71 2kkz h LEU 181 Cb 0.87 -0.18 0.00 0.00 0.37 0.00 0.00 40.66 41.72 2kkz h LEU 181 CO 0.07 0.52 -0.08 0.40 -0.34 0.00 0.00 178.44 179.00 2kkz h ILE 182 N 0.84 0.84 -0.78 4.05 2.04 -1.09 -2.33 117.51 121.09 2kkz h ILE 182 Ca 0.23 0.00 0.02 0.00 1.00 0.00 0.00 64.86 66.11 2kkz h ILE 182 Cb -0.09 0.84 -0.04 0.00 -0.74 0.00 0.00 36.82 36.78 2kkz h ILE 182 CO -0.05 0.00 0.50 1.23 0.00 0.00 0.00 178.15 179.83 2kkz h GLY 183 N -0.21 1.11 2.00 5.37 0.00 -1.02 0.20 103.07 110.52 2kkz h GLY 183 Ca -0.02 -0.39 -0.04 0.00 0.00 0.00 0.00 47.33 46.88 2kkz h GLY 183 CO 0.03 0.35 -0.21 -1.33 0.00 0.00 0.00 176.54 175.38 2kkz h GLY 184 N 1.00 0.00 1.35 4.60 0.00 -1.19 -2.72 103.07 106.11 2kkz h GLY 184 Ca 0.30 0.00 -0.15 0.00 0.00 0.00 0.00 47.33 47.48 2kkz h GLY 184 CO -0.09 0.00 -1.11 1.41 0.00 0.00 0.00 176.54 176.75 2kkz h LEU 185 N 0.00 0.00 -0.85 3.11 3.38 -0.66 -3.29 115.31 117.00 2kkz h LEU 185 Ca -0.00 0.00 -0.12 0.00 0.09 0.00 0.00 57.88 57.85 2kkz h LEU 185 Cb 0.61 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.35 2kkz h LEU 185 CO 0.03 0.57 -0.53 -0.33 0.09 0.00 0.00 178.44 178.26 2kkz h GLU 186 N 0.00 0.11 0.00 1.13 5.08 -0.34 -2.75 114.58 117.82 2kkz h GLU 186 Ca -0.11 -0.07 -0.01 0.00 -1.00 0.00 0.00 59.36 58.17 2kkz h GLU 186 Cb 1.53 0.01 -0.00 0.00 0.50 0.00 0.00 28.75 30.78 2kkz h GLU 186 CO 0.06 0.62 -0.17 0.07 -1.00 0.00 0.00 179.01 178.58 2kkz h ARG 187 N 0.09 0.00 0.00 2.33 0.11 -1.67 -2.38 114.38 112.86 2kkz h ARG 187 Ca -0.00 0.00 -0.00 0.00 0.10 0.00 0.00 59.98 60.07 2kkz h ARG 187 Cb 0.97 0.00 -0.00 0.00 1.11 0.00 0.00 29.97 32.05 2kkz h ARG 187 CO 0.08 0.06 -0.02 -0.91 0.10 0.00 0.00 179.97 179.28 2kkz h ASN 188 N 0.00 0.00 -4.98 0.08 4.21 -1.55 -3.48 115.58 109.85 2kkz h ASN 188 Ca -0.00 0.00 -0.05 0.00 1.21 0.00 0.00 56.30 57.45 2kkz h ASN 188 Cb 1.05 0.00 0.04 0.00 -1.12 0.00 0.00 38.32 38.29 2kkz h ASN 188 CO 0.01 0.02 -0.18 -0.67 -1.29 0.00 0.00 177.43 175.32 2kkz n ASP 189 N -3.18 -6.58 -3.55 5.81 2.03 -0.90 -4.47 116.55 105.71 2kkz n ASP 189 Ca -0.01 -0.19 -0.20 0.00 0.52 0.00 0.00 54.79 54.90 2kkz n ASP 189 Cb 0.21 -4.54 -0.08 0.00 -0.72 0.00 0.00 41.12 35.98 2kkz n ASP 189 CO 0.00 0.00 0.00 0.54 -1.92 0.00 0.00 177.20 175.82 2kkz s ASN 190 N -2.96 1.83 -0.47 1.67 2.20 -1.24 -2.94 114.94 113.04 2kkz s ASN 190 Ca 0.10 -1.73 -0.13 0.00 -0.94 0.00 0.00 52.86 50.16 2kkz s ASN 190 Cb -0.01 0.54 0.09 0.00 -2.00 0.00 0.00 41.25 39.87 2kkz s ASN 190 CO 0.62 -1.03 0.38 -0.89 -2.94 0.00 0.00 177.10 173.24 2kkz s THR 191 N -3.43 4.85 0.00 0.54 2.01 -0.71 -4.81 115.64 114.09 2kkz s THR 191 Ca 0.37 -1.32 -0.02 0.00 0.31 0.00 0.00 61.69 61.04 2kkz s THR 191 Cb 0.03 -3.99 -0.04 0.00 0.01 0.00 0.00 72.50 68.51 2kkz s THR 191 CO 0.24 -0.64 0.15 0.68 -0.69 0.00 0.00 174.62 174.37 2kkz s VAL 192 N 1.55 5.19 -0.02 3.82 -7.23 -1.26 -1.01 120.40 121.44 2kkz s VAL 192 Ca 0.04 -0.28 -0.05 0.00 -1.81 0.00 0.00 61.98 59.87 2kkz s VAL 192 Cb -0.25 -3.43 0.00 0.00 0.56 0.00 0.00 36.38 33.26 2kkz s VAL 192 CO 0.04 0.30 0.12 -0.60 -0.31 0.00 0.00 175.10 174.65 2kkz s ARG 193 N -1.97 0.32 0.02 4.82 3.52 -0.58 -4.95 118.95 120.13 2kkz s ARG 193 Ca 0.27 -0.15 -0.19 0.00 -0.13 0.00 0.00 55.73 55.53 2kkz s ARG 193 Cb -0.12 0.14 -0.06 0.00 -1.56 0.00 0.00 34.95 33.34 2kkz s ARG 193 CO 0.19 -0.06 0.55 0.08 -0.81 0.00 0.00 175.30 175.24 2kkz s VAL 194 N -0.72 4.87 0.58 7.11 1.01 -1.26 -1.52 120.40 130.47 2kkz s VAL 194 Ca -0.08 1.15 -0.20 0.00 0.00 0.00 0.00 61.98 62.86 2kkz s VAL 194 Cb -0.05 -3.88 -0.05 0.00 0.00 0.00 0.00 36.38 32.41 2kkz s VAL 194 CO 0.01 0.50 1.13 -1.54 0.00 0.00 0.00 175.10 175.19 2kkz n SER 195 N 2.21 1.54 0.18 3.32 3.41 -0.77 -4.68 113.62 118.84 2kkz n SER 195 Ca -0.09 0.87 0.16 0.00 -0.26 0.00 0.00 58.87 59.55 2kkz n SER 195 Cb 0.51 -1.46 0.78 0.00 -0.26 0.00 0.00 64.21 63.78 2kkz n SER 195 CO 0.00 0.00 0.00 0.07 -0.16 0.00 0.00 175.04 174.95 2kkz h LYS 196 N 0.83 0.00 0.21 4.33 2.10 -1.97 0.95 116.57 123.02 2kkz h LYS 196 Ca -0.49 0.00 -0.01 0.00 -2.00 0.00 0.00 60.65 58.15 2kkz h LYS 196 Cb 1.34 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.67 2kkz h LYS 196 CO 0.53 0.00 -0.10 1.79 -2.00 0.00 0.00 179.45 179.67 2kkz h THR 197 N 0.00 0.82 0.00 0.07 1.35 -1.96 -3.01 112.91 110.17 2kkz h THR 197 Ca 0.10 -0.93 -0.03 0.00 -0.55 0.00 0.00 66.41 65.00 2kkz h THR 197 Cb 0.48 1.30 -0.00 0.00 -1.73 0.00 0.00 68.15 68.20 2kkz h THR 197 CO -0.00 0.18 -0.12 -0.07 -0.25 0.00 0.00 175.52 175.26 2kkz h LEU 198 N -0.80 0.00 -0.02 3.87 3.38 -1.57 -0.31 115.31 119.87 2kkz h LEU 198 Ca -0.03 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.94 2kkz h LEU 198 Cb 0.51 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.26 2kkz h LEU 198 CO 0.05 0.12 -0.00 1.56 0.09 0.00 0.00 178.44 180.25 2kkz h GLN 199 N 0.00 0.03 0.06 1.13 4.20 -0.91 0.12 115.11 119.74 2kkz h GLN 199 Ca -0.00 -0.01 -0.25 0.00 0.06 0.00 0.00 58.65 58.44 2kkz h GLN 199 Cb 0.27 -0.00 0.01 0.00 0.30 0.00 0.00 27.48 28.05 2kkz h GLN 199 CO 0.02 0.41 -1.08 0.07 -0.67 0.00 0.00 178.83 177.57 2kkz h ARG 200 N -0.35 0.43 0.00 1.46 0.11 -1.37 -0.37 114.38 114.29 2kkz h ARG 200 Ca 0.00 -0.54 -0.06 0.00 0.10 0.00 0.00 59.98 59.48 2kkz h ARG 200 Cb 0.40 0.17 -0.01 0.00 1.11 0.00 0.00 29.97 31.64 2kkz h ARG 200 CO 0.00 1.20 -0.48 0.74 0.10 0.00 0.00 179.97 181.52 2kkz h PHE 201 N 0.21 0.00 0.00 4.08 0.04 -1.13 0.20 116.94 120.34 2kkz h PHE 201 Ca -0.12 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.65 2kkz h PHE 201 Cb 1.75 0.00 0.00 0.00 2.20 0.00 0.00 35.95 39.90 2kkz h PHE 201 CO 0.07 0.64 -0.73 0.00 -0.60 0.00 0.00 178.31 177.70 2kkz n ALA 202 N -3.14 0.64 0.06 2.45 0.00 -0.48 -1.84 120.51 118.19 2kkz n ALA 202 Ca -0.13 -0.60 0.01 0.00 0.00 0.00 0.00 53.44 52.72 2kkz n ALA 202 Cb 0.37 0.02 0.35 0.00 0.00 0.00 0.00 19.45 20.19 2kkz n ALA 202 CO 0.00 0.00 0.00 2.35 0.00 0.00 0.00 177.50 179.85 2kkz h TRP 203 N -0.96 0.40 -0.69 0.00 2.91 -0.89 -3.44 115.95 113.28 2kkz h TRP 203 Ca 0.00 -0.04 0.00 0.00 1.13 0.00 0.00 58.89 59.98 2kkz h TRP 203 Cb 0.73 -0.12 0.00 0.00 -0.51 0.00 0.00 29.16 29.26 2kkz h TRP 203 CO -0.31 0.45 0.00 0.41 -1.03 0.00 0.00 178.44 177.95 2kkz n GLY 204 N -0.91 5.53 2.89 2.65 0.00 -0.15 -5.04 105.19 110.17 2kkz n GLY 204 Ca 0.00 -1.41 -0.23 0.00 0.00 0.00 0.00 46.02 44.38 2kkz n GLY 204 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2kkz s SER 205 N 1.00 1.58 -0.58 1.61 0.01 -1.16 -4.32 113.70 111.85 2kkz s SER 205 Ca 0.00 -0.20 -0.26 0.00 1.31 0.00 0.00 55.95 56.80 2kkz s SER 205 Cb 0.00 -0.63 -0.07 0.00 0.21 0.00 0.00 66.02 65.54 2kkz s SER 205 CO 0.00 -0.09 2.27 -0.55 0.41 0.00 0.00 173.24 175.28 2kkz s SER 206 N 1.32 4.56 -0.31 2.44 0.15 0.70 -4.77 113.70 117.79 2kkz s SER 206 Ca -0.04 0.67 0.06 0.00 0.70 0.00 0.00 55.95 57.34 2kkz s SER 206 Cb -0.14 -2.52 0.59 0.00 -1.71 0.00 0.00 66.02 62.25 2kkz s SER 206 CO -0.03 -2.92 1.68 -3.20 1.20 0.00 0.00 173.24 169.98 2kkz n ASN 207 N 15.57 4.03 -3.68 5.45 2.85 -1.26 -4.75 115.26 133.48 2kkz n ASN 207 Ca 0.35 -3.15 -0.41 0.00 -0.11 0.00 0.00 54.58 51.26 2kkz n ASN 207 Cb 0.52 -0.74 -0.00 0.00 1.24 0.00 0.00 39.78 40.80 2kkz n ASN 207 CO 0.00 0.00 0.00 -0.62 -2.11 0.00 0.00 177.26 174.53 2kkz n GLU 208 N -0.42 3.97 -1.83 1.20 1.02 -1.26 -4.96 120.64 118.36 2kkz n GLU 208 Ca 0.41 -3.39 -0.16 0.00 -0.02 0.00 0.00 57.16 54.00 2kkz n GLU 208 Cb 1.33 -2.82 0.09 0.00 -0.02 0.00 0.00 31.44 30.02 2kkz n GLU 208 CO 0.00 0.00 0.00 0.27 1.18 0.00 0.00 177.13 178.58 2kkz n ASN 209 N 3.11 0.80 0.00 1.62 0.23 -1.26 -5.08 115.26 114.68 2kkz n ASN 209 Ca 0.51 -1.70 0.00 0.00 -0.53 0.00 0.00 54.58 52.86 2kkz n ASN 209 Cb 0.31 -0.46 0.00 0.00 -2.08 0.00 0.00 39.78 37.55 2kkz n ASN 209 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 2kkz n GLY 210 N -0.15 -0.25 3.59 4.83 0.00 -1.26 -5.17 105.19 106.77 2kkz n GLY 210 Ca 0.11 0.45 -0.12 0.00 0.00 0.00 0.00 46.02 46.46 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 0.00 0.70 -0.31 1.61 1.70 -1.26 -5.14 118.95 116.25 2kkz s ARG 211 Ca 0.00 0.41 -0.41 0.00 -0.47 0.00 0.00 55.73 55.26 2kkz s ARG 211 Cb 0.00 0.33 -0.16 0.00 -0.57 0.00 0.00 34.95 34.55 2kkz s ARG 211 CO 0.00 -0.17 1.72 -2.30 -1.08 0.00 0.00 175.30 173.47 2kkz n PRO 212 N 1.44 0.98 -1.65 3.89 -0.02 -1.26 -4.87 135.00 133.50 2kkz n PRO 212 Ca -0.13 0.36 -0.51 0.00 -2.02 0.00 0.00 63.50 61.20 2kkz n PRO 212 Cb 0.57 -2.01 -0.06 0.00 -0.02 0.00 0.00 33.50 31.98 2kkz n PRO 212 CO 0.00 0.00 0.00 -2.30 1.98 0.00 0.00 175.50 175.18 2kkz n PRO 213 N 5.17 1.75 -2.03 0.52 -0.02 -1.26 -4.85 135.00 134.27 2kkz n PRO 213 Ca 0.27 0.62 -0.30 0.00 -2.02 0.00 0.00 63.50 62.07 2kkz n PRO 213 Cb 0.10 -2.50 -0.04 0.00 -0.02 0.00 0.00 33.50 31.04 2kkz n PRO 213 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 2kkz s LEU 214 N 4.57 3.20 0.49 2.45 1.43 -1.26 -4.93 118.68 124.63 2kkz s LEU 214 Ca 0.97 -0.32 -0.24 0.00 -1.03 0.00 0.00 54.13 53.51 2kkz s LEU 214 Cb -0.80 -2.55 -0.07 0.00 0.03 0.00 0.00 46.19 42.80 2kkz s LEU 214 CO 0.55 -2.64 1.40 0.42 0.23 0.00 0.00 176.35 176.30 2kkz s THR 215 N 9.83 2.10 0.34 5.49 -4.23 -1.26 -4.97 115.64 122.93 2kkz s THR 215 Ca 0.70 0.08 -0.27 0.00 -1.18 0.00 0.00 61.69 61.02 2kkz s THR 215 Cb -0.09 -3.04 -0.09 0.00 1.34 0.00 0.00 72.50 70.62 2kkz s THR 215 CO 0.07 0.01 1.08 -0.76 -0.54 0.00 0.00 174.62 174.48 2kkz s LEU 216 N -3.02 4.37 0.00 4.79 1.43 -1.26 -5.32 118.68 119.67 2kkz s LEU 216 Ca 0.65 2.18 0.26 0.00 -1.03 0.00 0.00 54.13 56.19 2kkz s LEU 216 Cb -0.42 -3.87 1.54 0.00 0.03 0.00 0.00 46.19 43.47 2kkz s LEU 216 CO 0.53 -0.32 1.90 -0.62 0.23 0.00 0.00 176.35 178.07