#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 3.76 0.10 0.03 0.04 -1.26 -5.00 135.00 132.67 2kkz s PRO 85 Ca 0.00 2.04 -0.18 0.00 0.04 0.00 0.00 61.00 62.90 2kkz s PRO 85 Cb 0.00 -4.15 -0.07 0.00 0.04 0.00 0.00 34.50 30.33 2kkz s PRO 85 CO 0.00 -1.36 0.58 0.00 0.04 0.00 0.00 177.00 176.26 2kkz s ALA 86 N 5.65 3.57 -0.21 8.56 0.00 -1.26 -5.02 121.76 133.05 2kkz s ALA 86 Ca 0.83 0.01 -0.11 0.00 0.00 0.00 0.00 51.96 52.70 2kkz s ALA 86 Cb -0.32 -2.63 -0.05 0.00 0.00 0.00 0.00 23.12 20.12 2kkz s ALA 86 CO 0.34 0.40 0.16 -1.12 0.00 0.00 0.00 175.76 175.54 2kkz s SER 87 N -1.28 6.20 -0.03 0.00 0.01 -1.26 -4.68 113.70 112.66 2kkz s SER 87 Ca 0.32 0.22 0.05 0.00 1.31 0.00 0.00 55.95 57.85 2kkz s SER 87 Cb -0.18 -2.10 -0.03 0.00 0.21 0.00 0.00 66.02 63.92 2kkz s SER 87 CO 0.19 0.13 -0.17 -0.60 0.41 0.00 0.00 173.24 173.20 2kkz s ARG 88 N 0.61 2.36 -0.42 12.44 3.52 -1.00 -4.90 118.95 131.56 2kkz s ARG 88 Ca 0.09 -0.79 -0.15 0.00 -0.13 0.00 0.00 55.73 54.75 2kkz s ARG 88 Cb -0.12 -2.28 0.03 0.00 -1.56 0.00 0.00 34.95 31.01 2kkz s ARG 88 CO 0.01 0.60 0.32 0.71 -0.81 0.00 0.00 175.30 176.13 2kkz s TYR 89 N -0.74 3.23 -0.18 5.12 1.51 -1.26 -0.36 117.35 124.67 2kkz s TYR 89 Ca 0.12 -0.60 -0.29 0.00 -1.01 0.00 0.00 57.07 55.28 2kkz s TYR 89 Cb -0.10 -2.68 -0.00 0.00 -0.11 0.00 0.00 41.96 39.06 2kkz s TYR 89 CO 0.01 -0.62 1.08 0.42 -1.11 0.00 0.00 175.55 175.33 2kkz s ILE 90 N 1.73 4.60 -0.88 2.71 -1.09 0.01 -4.96 121.20 123.33 2kkz s ILE 90 Ca 0.06 1.92 0.01 0.00 -2.23 0.00 0.00 60.65 60.40 2kkz s ILE 90 Cb -0.19 -4.24 0.30 0.00 -1.58 0.00 0.00 42.46 36.75 2kkz s ILE 90 CO 0.10 -0.12 1.29 0.35 -1.23 0.00 0.00 174.94 175.33 2kkz n THR 91 N 5.09 4.40 -0.00 2.92 -2.24 -1.26 -2.78 114.28 120.41 2kkz n THR 91 Ca 0.11 -5.71 -0.06 0.00 -2.27 0.00 0.00 64.05 56.12 2kkz n THR 91 Cb 0.46 -1.86 0.13 0.00 -2.10 0.00 0.00 70.33 66.97 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 4.44 0.57 -3.55 3.42 3.58 -1.94 -3.42 116.42 119.52 2kkz h ASP 92 Ca 0.26 -0.24 -0.67 0.00 0.42 0.00 0.00 57.03 56.81 2kkz h ASP 92 Cb 0.54 -0.16 -0.16 0.00 1.72 0.00 0.00 39.33 41.27 2kkz h ASP 92 CO 1.09 0.88 -0.70 0.00 -2.88 0.00 0.00 179.24 177.63 2kkz s MET 93 N -4.31 2.47 0.36 0.28 0.23 -1.26 -4.89 119.30 112.19 2kkz s MET 93 Ca -0.07 -0.80 -0.03 0.00 -1.03 0.00 0.00 55.69 53.76 2kkz s MET 93 Cb 0.13 -2.47 -0.04 0.00 -1.53 0.00 0.00 34.83 30.91 2kkz s MET 93 CO 0.82 0.57 0.61 0.99 -2.03 0.00 0.00 175.02 175.98 2kkz s THR 94 N -1.09 5.03 0.39 3.16 2.01 -1.26 -4.85 115.64 119.03 2kkz s THR 94 Ca 0.19 -0.11 0.07 0.00 0.31 0.00 0.00 61.69 62.16 2kkz s THR 94 Cb -0.11 -3.82 0.29 0.00 0.01 0.00 0.00 72.50 68.87 2kkz s THR 94 CO 0.10 -0.54 2.01 0.40 -0.69 0.00 0.00 174.62 175.90 2kkz h ILE 95 N 0.85 1.05 -0.87 1.82 5.03 -1.97 -0.67 117.51 122.74 2kkz h ILE 95 Ca -0.48 -0.22 0.20 0.00 -0.12 0.00 0.00 64.86 64.24 2kkz h ILE 95 Cb 1.20 0.36 -0.12 0.00 -3.03 0.00 0.00 36.82 35.24 2kkz h ILE 95 CO 0.63 0.12 0.38 -0.33 -0.68 0.00 0.00 178.15 178.26 2kkz h GLU 96 N 0.63 0.41 0.00 2.37 5.08 -1.96 -0.13 114.58 120.98 2kkz h GLU 96 Ca 0.24 -0.02 -0.16 0.00 -1.00 0.00 0.00 59.36 58.42 2kkz h GLU 96 Cb 0.15 -0.09 -0.03 0.00 0.50 0.00 0.00 28.75 29.28 2kkz h GLU 96 CO -0.07 0.27 -1.96 -0.85 -1.00 0.00 0.00 179.01 175.41 2kkz n GLU 97 N -5.03 0.66 -0.08 2.33 -0.00 -0.98 -3.72 120.64 113.83 2kkz n GLU 97 Ca 0.20 -0.04 -0.12 0.00 -0.00 0.00 0.00 57.16 57.21 2kkz n GLU 97 Cb 0.59 -1.59 -0.05 0.00 -0.00 0.00 0.00 31.44 30.39 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 0.44 -2.32 -1.84 6.46 -0.76 -3.13 115.31 114.16 2kkz h LEU 98 Ca -0.21 -0.37 0.00 0.00 -0.12 0.00 0.00 57.88 57.18 2kkz h LEU 98 Cb 1.53 -0.12 0.00 0.00 -0.73 0.00 0.00 40.66 41.34 2kkz h LEU 98 CO 0.02 0.71 0.00 -0.24 -0.62 0.00 0.00 178.44 178.31 2kkz n SER 99 N -4.59 3.42 -4.74 1.25 2.88 -0.09 -4.95 113.62 106.80 2kkz n SER 99 Ca -0.04 -2.07 -0.41 0.00 -1.33 0.00 0.00 58.87 55.02 2kkz n SER 99 Cb 0.29 -0.43 -0.04 0.00 -0.75 0.00 0.00 64.21 63.28 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 -1.30 4.56 0.11 -1.46 3.52 -1.18 -5.02 118.95 118.17 2kkz s ARG 100 Ca 0.41 1.79 -0.30 0.00 -0.13 0.00 0.00 55.73 57.50 2kkz s ARG 100 Cb 0.22 -3.25 -0.06 0.00 -1.56 0.00 0.00 34.95 30.30 2kkz s ARG 100 CO 0.26 0.02 1.05 -0.51 -0.81 0.00 0.00 175.30 175.32 2kkz s ASP 101 N -0.11 7.33 0.26 -2.12 1.01 -1.26 -5.05 116.67 116.73 2kkz s ASP 101 Ca 0.50 1.92 -0.11 0.00 0.71 0.00 0.00 52.55 55.57 2kkz s ASP 101 Cb -0.31 -2.59 -0.00 0.00 1.01 0.00 0.00 42.92 41.03 2kkz s ASP 101 CO 0.36 -0.22 0.46 -1.66 0.21 0.00 0.00 175.17 174.33 2kkz s TRP 102 N 0.25 0.50 0.17 4.23 1.48 -1.26 -5.02 118.94 119.28 2kkz s TRP 102 Ca 0.51 -0.85 -0.10 0.00 -1.06 0.00 0.00 56.10 54.60 2kkz s TRP 102 Cb -0.26 0.12 -0.01 0.00 -1.16 0.00 0.00 33.47 32.17 2kkz s TRP 102 CO 0.31 -1.01 0.31 -0.59 -4.06 0.00 0.00 176.95 171.91 2kkz s PHE 103 N -3.85 0.36 -0.17 1.66 -0.71 -1.26 -5.16 117.98 108.85 2kkz s PHE 103 Ca 0.24 -0.72 -0.03 0.00 -1.04 0.00 0.00 56.93 55.38 2kkz s PHE 103 Cb -0.00 -0.02 -0.02 0.00 -1.21 0.00 0.00 43.02 41.76 2kkz s PHE 103 CO 0.11 -0.74 -0.05 -1.64 -1.34 0.00 0.00 175.22 171.56 2kkz s MET 104 N -3.96 3.57 0.09 1.99 -1.94 -1.26 -4.87 119.30 112.91 2kkz s MET 104 Ca 0.17 -0.57 -0.14 0.00 -1.71 0.00 0.00 55.69 53.44 2kkz s MET 104 Cb 0.03 -2.90 -0.16 0.00 2.01 0.00 0.00 34.83 33.81 2kkz s MET 104 CO 0.00 0.14 1.29 1.25 -0.01 0.00 0.00 175.02 177.69 2kkz h LEU 105 N 7.02 0.88 -7.16 -0.03 5.85 -1.97 -3.37 115.31 116.52 2kkz h LEU 105 Ca -0.32 -0.63 -0.62 0.00 0.84 0.00 0.00 57.88 57.15 2kkz h LEU 105 Cb 1.19 -0.26 -0.41 0.00 0.37 0.00 0.00 40.66 41.55 2kkz h LEU 105 CO 0.61 1.37 -0.68 -0.04 -0.34 0.00 0.00 178.44 179.35 2kkz s MET 106 N -3.74 1.68 -0.27 1.25 -1.94 -1.26 -4.96 119.30 110.06 2kkz s MET 106 Ca -0.11 -2.40 -0.29 0.00 -1.71 0.00 0.00 55.69 51.19 2kkz s MET 106 Cb 0.08 -2.85 -0.02 0.00 2.01 0.00 0.00 34.83 34.05 2kkz s MET 106 CO 0.89 -1.15 1.74 -2.14 -0.01 0.00 0.00 175.02 174.35 2kkz s PRO 107 N -0.09 3.56 -0.22 2.03 0.02 -1.26 -2.65 135.00 136.39 2kkz s PRO 107 Ca 0.18 1.59 -0.02 0.00 0.02 0.00 0.00 61.00 62.78 2kkz s PRO 107 Cb -0.23 -4.13 0.01 0.00 0.02 0.00 0.00 34.50 30.17 2kkz s PRO 107 CO -0.02 -1.59 -0.10 0.21 -0.33 0.00 0.00 177.00 175.18 2kkz s LYS 108 N 5.21 3.07 -0.33 5.54 2.47 -0.65 -5.01 119.74 130.04 2kkz s LYS 108 Ca 0.77 -0.81 -0.12 0.00 -1.56 0.00 0.00 55.97 54.25 2kkz s LYS 108 Cb -0.25 -2.86 -0.01 0.00 -1.46 0.00 0.00 37.83 33.25 2kkz s LYS 108 CO 0.32 -0.27 0.22 -1.14 0.16 0.00 0.00 175.35 174.65 2kkz s GLN 109 N 1.37 3.46 0.27 4.03 2.00 -1.26 -1.79 119.66 127.73 2kkz s GLN 109 Ca 0.04 -0.66 0.11 0.00 -2.00 0.00 0.00 55.36 52.85 2kkz s GLN 109 Cb -0.15 -3.76 -0.05 0.00 0.80 0.00 0.00 33.01 29.86 2kkz s GLN 109 CO -0.07 -0.44 -0.19 0.21 -0.50 0.00 0.00 175.29 174.30 2kkz s LYS 110 N 1.70 1.63 0.00 1.67 2.47 -1.15 -5.04 119.74 121.01 2kkz s LYS 110 Ca 0.06 -1.74 0.01 0.00 -1.56 0.00 0.00 55.97 52.74 2kkz s LYS 110 Cb -0.17 -1.68 -0.00 0.00 -1.46 0.00 0.00 37.83 34.51 2kkz s LYS 110 CO 0.10 0.31 -0.03 0.08 0.16 0.00 0.00 175.35 175.97 2kkz s VAL 111 N -2.55 0.25 -0.59 4.02 1.01 -1.26 -0.47 120.40 120.81 2kkz s VAL 111 Ca 0.29 -0.20 0.04 0.00 0.00 0.00 0.00 61.98 62.11 2kkz s VAL 111 Cb -0.05 -0.23 0.15 0.00 0.00 0.00 0.00 36.38 36.26 2kkz s VAL 111 CO 0.14 0.03 0.37 -0.70 0.00 0.00 0.00 175.10 174.94 2kkz s GLU 112 N -0.19 2.03 7.34 2.72 2.56 -0.17 -4.87 118.70 128.13 2kkz s GLU 112 Ca 0.00 -2.84 0.00 0.00 0.00 0.00 0.00 54.97 52.13 2kkz s GLU 112 Cb -0.02 -3.09 0.00 0.00 2.00 0.00 0.00 34.13 33.02 2kkz s GLU 112 CO -0.00 -1.22 0.00 0.41 -0.56 0.00 0.00 175.26 173.89 2kkz n GLY 113 N 2.62 2.75 0.35 -1.50 0.00 -1.26 -2.63 105.19 105.52 2kkz n GLY 113 Ca 0.14 -0.07 0.05 0.00 0.00 0.00 0.00 46.02 46.14 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 8.75 1.44 -3.95 1.61 -0.04 -1.26 -4.79 135.00 136.77 2kkz n PRO 114 Ca 0.00 -0.68 -0.25 0.00 -0.04 0.00 0.00 63.50 62.53 2kkz n PRO 114 Cb 0.00 -1.19 -0.17 0.00 -0.04 0.00 0.00 33.50 32.10 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 -1.12 1.05 -0.25 1.53 1.43 -1.08 -1.08 118.68 119.17 2kkz s LEU 115 Ca 0.17 -0.21 -0.20 0.00 -1.03 0.00 0.00 54.13 52.86 2kkz s LEU 115 Cb 0.09 -0.67 -0.02 0.00 0.03 0.00 0.00 46.19 45.61 2kkz s LEU 115 CO 0.12 -0.12 0.59 0.00 0.23 0.00 0.00 176.35 177.17 2kkz s ILE 117 N 2.33 4.81 -0.07 0.00 -1.09 0.38 -1.27 121.20 126.29 2kkz s ILE 117 Ca 0.25 0.54 -0.01 0.00 -2.23 0.00 0.00 60.65 59.20 2kkz s ILE 117 Cb -0.16 -3.75 0.03 0.00 -1.58 0.00 0.00 42.46 37.01 2kkz s ILE 117 CO 0.09 -0.54 -0.01 -0.60 -1.23 0.00 0.00 174.94 172.64 2kkz s ARG 118 N -3.92 0.75 -0.13 2.79 6.06 0.36 -2.95 118.95 121.90 2kkz s ARG 118 Ca 0.50 0.04 0.01 0.00 -2.50 0.00 0.00 55.73 53.78 2kkz s ARG 118 Cb -0.10 -1.03 0.02 0.00 0.06 0.00 0.00 34.95 33.90 2kkz s ARG 118 CO 0.33 -0.27 -0.16 0.42 -2.50 0.00 0.00 175.30 173.11 2kkz s ILE 119 N 1.80 1.66 -0.34 4.11 -1.09 -0.74 -3.39 121.20 123.22 2kkz s ILE 119 Ca 0.03 -0.72 -0.14 0.00 -2.23 0.00 0.00 60.65 57.59 2kkz s ILE 119 Cb -0.13 -1.52 -0.02 0.00 -1.58 0.00 0.00 42.46 39.22 2kkz s ILE 119 CO -0.05 0.47 0.30 -0.62 -1.23 0.00 0.00 174.94 173.81 2kkz s ASP 120 N 1.17 6.12 0.00 3.58 -1.08 -1.10 -1.64 116.67 123.72 2kkz s ASP 120 Ca -0.01 -0.32 0.28 0.00 -0.52 0.00 0.00 52.55 51.98 2kkz s ASP 120 Cb -0.14 -2.17 1.13 0.00 -1.46 0.00 0.00 42.92 40.29 2kkz s ASP 120 CO -0.06 -0.28 1.82 0.00 0.52 0.00 0.00 175.17 177.17 2kkz n GLN 121 N 5.24 0.39 -0.03 4.34 6.02 -1.08 -3.74 117.38 128.51 2kkz n GLN 121 Ca -0.11 -0.12 -0.21 0.00 -0.01 0.00 0.00 57.00 56.55 2kkz n GLN 121 Cb 0.50 -1.50 -0.13 0.00 1.02 0.00 0.00 30.24 30.13 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 3.35 0.24 -1.87 -1.58 0.00 -1.93 -3.46 119.26 114.02 2kkz h ALA 122 Ca 0.00 -1.15 -0.57 0.00 0.00 0.00 0.00 54.91 53.19 2kkz h ALA 122 Cb 0.41 0.58 -0.04 0.00 0.00 0.00 0.00 17.79 18.74 2kkz h ALA 122 CO 0.00 0.83 1.18 0.42 0.00 0.00 0.00 179.25 181.68 2kkz s ILE 123 N -2.44 3.66 0.13 0.00 1.09 -1.25 -4.97 121.20 117.42 2kkz s ILE 123 Ca -0.23 0.68 0.04 0.00 -1.10 0.00 0.00 60.65 60.04 2kkz s ILE 123 Cb 0.05 -3.85 -0.04 0.00 -1.06 0.00 0.00 42.46 37.56 2kkz s ILE 123 CO 0.70 -0.51 -0.10 -0.04 -0.10 0.00 0.00 174.94 174.89 2kkz s MET 124 N 5.26 1.01 -0.47 2.79 -1.94 -1.26 -4.88 119.30 119.80 2kkz s MET 124 Ca 0.72 -1.36 0.00 0.00 -1.71 0.00 0.00 55.69 53.34 2kkz s MET 124 Cb -0.20 -0.63 0.00 0.00 2.01 0.00 0.00 34.83 36.02 2kkz s MET 124 CO 0.33 0.09 0.00 -3.47 -0.01 0.00 0.00 175.02 171.95 2kkz n ASP 125 N 0.04 -4.73 -4.89 3.03 2.03 -0.48 -4.98 116.55 106.58 2kkz n ASP 125 Ca -0.12 0.11 -0.33 0.00 0.52 0.00 0.00 54.79 54.97 2kkz n ASP 125 Cb 0.60 -2.62 -0.05 0.00 -0.72 0.00 0.00 41.12 38.33 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 -1.87 3.56 -0.78 -0.67 -0.14 -1.26 -4.82 119.74 113.76 2kkz s LYS 126 Ca 0.00 -0.15 -0.25 0.00 -1.36 0.00 0.00 55.97 54.22 2kkz s LYS 126 Cb 0.00 -3.02 0.05 0.00 -1.68 0.00 0.00 37.83 33.18 2kkz s LYS 126 CO 0.00 0.60 1.22 -0.80 -0.76 0.00 0.00 175.35 175.61 2kkz s ASN 127 N -2.02 6.25 -0.17 2.83 0.01 -1.26 -1.09 114.94 119.49 2kkz s ASN 127 Ca 0.32 -0.86 -0.06 0.00 -0.71 0.00 0.00 52.86 51.55 2kkz s ASN 127 Cb -0.13 -2.51 -0.04 0.00 0.41 0.00 0.00 41.25 38.98 2kkz s ASN 127 CO 0.20 -1.63 0.02 -0.63 -1.51 0.00 0.00 177.10 173.55 2kkz s ILE 128 N 4.98 4.44 -0.14 0.60 1.01 0.14 -0.06 121.20 132.16 2kkz s ILE 128 Ca 0.33 -0.16 -0.05 0.00 0.00 0.00 0.00 60.65 60.77 2kkz s ILE 128 Cb -0.09 -2.98 -0.04 0.00 0.01 0.00 0.00 42.46 39.37 2kkz s ILE 128 CO 0.08 0.48 0.04 -0.32 0.00 0.00 0.00 174.94 175.21 2kkz s MET 129 N 0.34 3.57 -0.42 2.79 1.75 -0.18 -2.52 119.30 124.63 2kkz s MET 129 Ca 0.00 -0.37 -0.15 0.00 -1.25 0.00 0.00 55.69 53.93 2kkz s MET 129 Cb -0.13 -3.04 0.03 0.00 2.84 0.00 0.00 34.83 34.53 2kkz s MET 129 CO 0.01 0.46 0.31 -0.51 -0.65 0.00 0.00 175.02 174.64 2kkz s LEU 130 N -0.17 5.19 0.11 4.11 2.01 -0.42 -2.77 118.68 126.74 2kkz s LEU 130 Ca 0.06 -0.98 0.07 0.00 0.01 0.00 0.00 54.13 53.29 2kkz s LEU 130 Cb -0.12 -2.16 -0.04 0.00 0.01 0.00 0.00 46.19 43.88 2kkz s LEU 130 CO 0.02 -0.48 -0.17 -0.54 1.01 0.00 0.00 176.35 176.18 2kkz s LYS 131 N 1.67 1.05 -0.01 1.70 1.02 -0.87 -1.30 119.74 122.99 2kkz s LYS 131 Ca 0.05 -1.17 -0.10 0.00 0.02 0.00 0.00 55.97 54.77 2kkz s LYS 131 Cb -0.20 -1.12 0.01 0.00 -0.52 0.00 0.00 37.83 36.01 2kkz s LYS 131 CO 0.09 0.24 0.21 0.00 -0.92 0.00 0.00 175.35 174.97 2kkz s ALA 132 N -1.58 -0.51 -0.15 5.17 0.00 -1.26 -0.73 121.76 122.70 2kkz s ALA 132 Ca 0.06 0.08 -0.05 0.00 0.00 0.00 0.00 51.96 52.05 2kkz s ALA 132 Cb -0.08 0.07 -0.04 0.00 0.00 0.00 0.00 23.12 23.08 2kkz s ALA 132 CO 0.04 -0.22 0.03 -0.80 0.00 0.00 0.00 175.76 174.80 2kkz s ASN 133 N -1.28 5.38 0.14 0.00 0.01 -0.30 -3.88 114.94 115.01 2kkz s ASN 133 Ca -0.14 0.07 -0.22 0.00 -0.71 0.00 0.00 52.86 51.86 2kkz s ASN 133 Cb -0.06 -1.82 0.06 0.00 0.41 0.00 0.00 41.25 39.84 2kkz s ASN 133 CO 0.03 0.23 0.57 0.72 -1.51 0.00 0.00 177.10 177.13 2kkz s PHE 134 N 0.01 -0.49 0.51 2.20 -0.71 -1.12 -1.70 117.98 116.69 2kkz s PHE 134 Ca 0.04 0.30 -0.06 0.00 -1.04 0.00 0.00 56.93 56.18 2kkz s PHE 134 Cb -0.13 0.49 -0.03 0.00 -1.21 0.00 0.00 43.02 42.15 2kkz s PHE 134 CO 0.01 -0.80 0.82 -1.54 -1.34 0.00 0.00 175.22 172.37 2kkz s SER 135 N -2.65 6.17 -0.04 1.98 1.04 -0.48 -0.81 113.70 118.91 2kkz s SER 135 Ca 0.00 0.94 0.04 0.00 0.48 0.00 0.00 55.95 57.41 2kkz s SER 135 Cb -0.00 -2.19 -0.00 0.00 0.10 0.00 0.00 66.02 63.93 2kkz s SER 135 CO -0.11 -0.67 -0.15 -0.69 0.98 0.00 0.00 173.24 172.60 2kkz s VAL 136 N -2.81 1.22 -0.03 5.02 1.01 0.52 -0.93 120.40 124.39 2kkz s VAL 136 Ca 0.49 -0.61 -0.03 0.00 0.00 0.00 0.00 61.98 61.84 2kkz s VAL 136 Cb -0.10 -1.06 0.01 0.00 0.00 0.00 0.00 36.38 35.23 2kkz s VAL 136 CO 0.46 0.36 0.08 -0.51 0.00 0.00 0.00 175.10 175.48 2kkz s ILE 137 N 0.06 -0.00 -1.51 2.22 1.10 -0.57 -2.37 121.20 120.12 2kkz s ILE 137 Ca -0.03 0.01 -0.04 0.00 -0.51 0.00 0.00 60.65 60.08 2kkz s ILE 137 Cb -0.10 -0.12 0.02 0.00 0.15 0.00 0.00 42.46 42.41 2kkz s ILE 137 CO 0.01 0.00 0.42 0.49 -2.11 0.00 0.00 174.94 173.76 2kkz n PHE 138 N 3.10 -1.72 -0.96 3.50 3.72 -1.26 -1.76 117.46 122.08 2kkz n PHE 138 Ca -0.13 0.37 0.00 0.00 -0.05 0.00 0.00 57.45 57.64 2kkz n PHE 138 Cb 0.59 -3.98 0.00 0.00 -0.94 0.00 0.00 39.48 35.15 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 -2.33 -4.32 -4.62 4.37 2.03 -1.26 -4.99 116.55 105.43 2kkz n ASP 139 Ca -0.12 0.00 -0.25 0.00 0.52 0.00 0.00 54.79 54.94 2kkz n ASP 139 Cb 0.62 -2.30 -0.09 0.00 -0.72 0.00 0.00 41.12 38.63 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 -1.19 2.05 -0.31 -0.67 1.70 -0.72 -4.93 118.95 114.87 2kkz s ARG 140 Ca 0.00 -1.79 -0.28 0.00 -0.47 0.00 0.00 55.73 53.19 2kkz s ARG 140 Cb 0.00 -1.89 -0.04 0.00 -0.57 0.00 0.00 34.95 32.45 2kkz s ARG 140 CO 0.00 0.12 2.02 -1.17 -1.08 0.00 0.00 175.30 175.19 2kkz s LEU 141 N -3.71 3.46 -0.00 -1.89 0.20 -1.26 -1.51 118.68 113.96 2kkz s LEU 141 Ca 0.35 1.47 -0.03 0.00 0.69 0.00 0.00 54.13 56.61 2kkz s LEU 141 Cb 0.01 -3.38 -0.02 0.00 -0.43 0.00 0.00 46.19 42.37 2kkz s LEU 141 CO 0.19 -1.94 0.63 -0.08 -0.29 0.00 0.00 176.35 174.86 2kkz h GLU 142 N 14.42 -0.10 -3.25 1.98 4.81 -1.29 -3.37 114.58 127.77 2kkz h GLU 142 Ca -0.35 0.01 -0.24 0.00 -0.13 0.00 0.00 59.36 58.64 2kkz h GLU 142 Cb 1.20 0.02 -0.31 0.00 0.63 0.00 0.00 28.75 30.29 2kkz h GLU 142 CO 1.02 -0.07 -0.59 0.99 -0.73 0.00 0.00 179.01 179.64 2kkz s THR 143 N -2.43 -0.05 -0.04 0.32 2.01 -1.23 -4.43 115.64 109.80 2kkz s THR 143 Ca -0.01 0.17 -0.30 0.00 0.31 0.00 0.00 61.69 61.85 2kkz s THR 143 Cb 0.00 -0.25 -0.04 0.00 0.01 0.00 0.00 72.50 72.22 2kkz s THR 143 CO 0.04 0.07 1.30 -0.22 -0.69 0.00 0.00 174.62 175.12 2kkz s LEU 144 N 1.12 4.29 -0.17 4.42 2.96 -1.26 -1.39 118.68 128.65 2kkz s LEU 144 Ca -0.09 1.95 -0.25 0.00 -0.22 0.00 0.00 54.13 55.52 2kkz s LEU 144 Cb -0.11 -3.56 -0.23 0.00 0.50 0.00 0.00 46.19 42.79 2kkz s LEU 144 CO -0.06 -0.66 0.52 0.40 -1.32 0.00 0.00 176.35 175.23 2kkz h ILE 145 N 5.00 1.39 -1.76 6.68 2.04 -1.68 -3.45 117.51 125.73 2kkz h ILE 145 Ca -0.35 -2.27 0.02 0.00 1.00 0.00 0.00 64.86 63.25 2kkz h ILE 145 Cb 1.17 2.85 -0.22 0.00 -0.74 0.00 0.00 36.82 39.88 2kkz h ILE 145 CO 0.90 0.48 0.37 -0.22 0.00 0.00 0.00 178.15 179.67 2kkz s LEU 146 N -8.05 -0.52 0.08 1.44 2.96 -0.82 -4.40 118.68 109.37 2kkz s LEU 146 Ca -0.23 0.68 0.03 0.00 -0.22 0.00 0.00 54.13 54.39 2kkz s LEU 146 Cb 0.01 2.16 -0.03 0.00 0.50 0.00 0.00 46.19 48.83 2kkz s LEU 146 CO 0.65 -0.40 -0.09 -0.22 -1.32 0.00 0.00 176.35 174.97 2kkz s LEU 147 N -0.79 2.35 -0.01 -0.68 0.20 -0.49 -1.15 118.68 118.12 2kkz s LEU 147 Ca -0.04 -0.73 -0.05 0.00 0.69 0.00 0.00 54.13 54.01 2kkz s LEU 147 Cb -0.01 -0.25 -0.00 0.00 -0.43 0.00 0.00 46.19 45.49 2kkz s LEU 147 CO 0.03 -0.25 0.09 -0.60 -0.29 0.00 0.00 176.35 175.34 2kkz s ARG 148 N -2.40 0.35 -0.25 1.98 3.52 0.10 -1.26 118.95 120.99 2kkz s ARG 148 Ca 0.00 -0.30 0.02 0.00 -0.13 0.00 0.00 55.73 55.33 2kkz s ARG 148 Cb -0.05 0.14 0.05 0.00 -1.56 0.00 0.00 34.95 33.54 2kkz s ARG 148 CO -0.00 -0.07 -0.11 0.00 -0.81 0.00 0.00 175.30 174.30 2kkz s ALA 149 N -1.01 2.46 0.16 6.12 0.00 -0.56 -2.05 121.76 126.89 2kkz s ALA 149 Ca -0.11 -1.65 0.07 0.00 0.00 0.00 0.00 51.96 50.27 2kkz s ALA 149 Cb -0.06 -1.52 -0.04 0.00 0.00 0.00 0.00 23.12 21.50 2kkz s ALA 149 CO 0.01 -1.09 -0.15 -0.59 0.00 0.00 0.00 175.76 173.94 2kkz s PHE 150 N 1.16 1.59 0.82 0.00 -0.71 -1.11 -1.05 117.98 118.67 2kkz s PHE 150 Ca -0.07 -0.57 -0.08 0.00 -1.04 0.00 0.00 56.93 55.18 2kkz s PHE 150 Cb -0.19 -0.78 0.15 0.00 -1.21 0.00 0.00 43.02 40.98 2kkz s PHE 150 CO -0.06 0.25 1.13 0.95 -1.34 0.00 0.00 175.22 176.15 2kkz s THR 151 N -2.55 2.10 0.39 -4.49 -4.23 -0.60 -1.01 115.64 105.25 2kkz s THR 151 Ca 0.16 -0.30 0.12 0.00 -1.18 0.00 0.00 61.69 60.49 2kkz s THR 151 Cb -0.03 -2.80 0.34 0.00 1.34 0.00 0.00 72.50 71.35 2kkz s THR 151 CO 0.05 0.00 1.90 1.05 -0.54 0.00 0.00 174.62 177.08 2kkz h GLU 152 N -1.00 0.55 -0.00 3.99 4.11 -0.82 -1.79 114.58 119.63 2kkz h GLU 152 Ca -0.41 -0.03 0.00 0.00 0.07 0.00 0.00 59.36 58.99 2kkz h GLU 152 Cb 1.26 -0.12 0.00 0.00 0.50 0.00 0.00 28.75 30.39 2kkz h GLU 152 CO 0.42 0.37 -0.38 -0.85 0.07 0.00 0.00 179.01 178.64 2kkz n GLU 153 N -4.52 0.12 0.00 1.06 0.28 -1.26 -4.94 120.64 111.38 2kkz n GLU 153 Ca 0.16 -0.06 0.00 0.00 -0.16 0.00 0.00 57.16 57.09 2kkz n GLU 153 Cb 0.48 -1.50 0.00 0.00 1.43 0.00 0.00 31.44 31.85 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 1.47 0.36 3.57 -1.84 0.00 -0.67 -5.04 105.19 103.04 2kkz n GLY 154 Ca 0.07 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.68 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 2.54 -0.01 4.61 0.00 -1.26 -4.61 121.76 121.03 2kkz s ALA 155 Ca 0.00 -0.26 -0.30 0.00 0.00 0.00 0.00 51.96 51.40 2kkz s ALA 155 Cb 0.00 -4.15 -0.06 0.00 0.00 0.00 0.00 23.12 18.91 2kkz s ALA 155 CO 0.00 -3.24 1.45 0.42 0.00 0.00 0.00 175.76 174.39 2kkz s ILE 156 N 7.80 3.65 0.00 0.00 1.01 -1.26 -1.56 121.20 130.83 2kkz s ILE 156 Ca 0.71 1.01 0.00 0.00 0.00 0.00 0.00 60.65 62.37 2kkz s ILE 156 Cb -0.16 -3.65 0.00 0.00 0.01 0.00 0.00 42.46 38.66 2kkz s ILE 156 CO 0.27 -0.02 0.21 1.33 0.00 0.00 0.00 174.94 176.74 2kkz n VAL 157 N 4.80 0.00 -3.76 2.92 0.24 -0.81 -4.67 118.33 117.06 2kkz n VAL 157 Ca 0.14 -0.34 -0.10 0.00 -2.04 0.00 0.00 64.34 62.00 2kkz n VAL 157 Cb 0.43 1.20 -0.04 0.00 -1.47 0.00 0.00 33.84 33.97 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 -0.25 -0.05 -0.09 7.63 0.00 -0.22 -2.72 107.32 111.62 2kkz s GLY 158 Ca 0.00 -0.27 -0.30 0.00 0.00 0.00 0.00 44.72 44.15 2kkz s GLY 158 CO 0.00 -0.29 0.93 1.85 0.00 0.00 0.00 173.10 175.59 2kkz s GLU 159 N -3.88 0.72 -0.30 2.90 2.12 -1.22 -1.49 118.70 117.55 2kkz s GLU 159 Ca 0.10 -0.01 0.01 0.00 0.36 0.00 0.00 54.97 55.43 2kkz s GLU 159 Cb -0.01 0.34 0.09 0.00 0.26 0.00 0.00 34.13 34.81 2kkz s GLU 159 CO -0.02 -0.26 0.04 0.42 -0.54 0.00 0.00 175.26 174.89 2kkz s ILE 160 N -1.88 1.58 -0.41 -3.70 1.01 -0.39 -0.48 121.20 116.92 2kkz s ILE 160 Ca -0.00 -1.69 -0.16 0.00 0.00 0.00 0.00 60.65 58.80 2kkz s ILE 160 Cb -0.01 -2.08 0.02 0.00 0.01 0.00 0.00 42.46 40.41 2kkz s ILE 160 CO -0.02 -0.48 0.34 -0.94 0.00 0.00 0.00 174.94 173.84 2kkz s SER 161 N 1.29 6.13 0.09 3.58 1.04 -0.40 -1.40 113.70 124.03 2kkz s SER 161 Ca 0.06 -0.79 -0.31 0.00 0.48 0.00 0.00 55.95 55.38 2kkz s SER 161 Cb -0.18 -2.18 -0.11 0.00 0.10 0.00 0.00 66.02 63.65 2kkz s SER 161 CO -0.13 -0.47 1.86 -2.65 0.98 0.00 0.00 173.24 172.82 2kkz n PRO 162 N 5.29 2.72 -1.82 4.02 -0.02 -1.26 -1.49 135.00 142.43 2kkz n PRO 162 Ca -0.10 0.99 -0.42 0.00 -2.02 0.00 0.00 63.50 61.95 2kkz n PRO 162 Cb 0.47 -2.89 -0.03 0.00 -0.02 0.00 0.00 33.50 31.03 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 3.11 4.37 0.55 2.45 1.43 -0.24 -4.91 118.68 125.43 2kkz s LEU 163 Ca 0.84 2.73 0.33 0.00 -1.03 0.00 0.00 54.13 57.00 2kkz s LEU 163 Cb -0.50 -3.59 1.43 0.00 0.03 0.00 0.00 46.19 43.56 2kkz s LEU 163 CO 0.40 -0.91 2.01 -0.65 0.23 0.00 0.00 176.35 177.43 2kkz h PRO 164 N 7.09 0.00 0.00 1.29 0.11 -1.93 -1.43 132.00 137.13 2kkz h PRO 164 Ca -0.43 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.68 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 0.94 0.05 0.00 0.66 -0.21 0.00 0.00 178.00 179.44 2kkz h SER 165 N 0.00 0.00 -2.49 -2.05 4.64 -1.96 -3.35 113.55 108.34 2kkz h SER 165 Ca -0.00 0.00 -0.60 0.00 -0.47 0.00 0.00 61.79 60.72 2kkz h SER 165 Cb 0.47 0.00 -0.40 0.00 -0.31 0.00 0.00 62.40 62.16 2kkz h SER 165 CO 0.01 0.00 -0.78 0.49 -0.87 0.00 0.00 176.83 175.68 2kkz n PHE 166 N -2.79 1.65 0.10 4.77 3.72 -0.54 -4.93 117.46 119.44 2kkz n PHE 166 Ca 0.01 -3.89 -0.05 0.00 -0.05 0.00 0.00 57.45 53.47 2kkz n PHE 166 Cb 0.27 -0.34 0.07 0.00 -0.94 0.00 0.00 39.48 38.55 2kkz n PHE 166 CO 0.00 0.00 0.00 -1.00 -0.05 0.00 0.00 176.76 175.71 2kkz h PRO 167 N 4.89 0.11 -3.20 -1.08 0.13 -1.71 -3.39 132.00 127.75 2kkz h PRO 167 Ca 0.18 -0.10 -0.77 0.00 -0.87 0.00 0.00 66.00 64.44 2kkz h PRO 167 Cb 0.79 0.02 -0.19 0.00 0.13 0.00 0.00 31.00 31.76 2kkz h PRO 167 CO 0.61 0.79 1.69 0.41 -0.23 0.00 0.00 178.00 181.28 2kkz n GLY 168 N 0.56 4.98 3.70 1.56 0.00 -1.26 -4.93 105.19 109.81 2kkz n GLY 168 Ca -0.02 -2.27 -0.29 0.00 0.00 0.00 0.00 46.02 43.45 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 -0.82 2.98 0.54 1.61 -3.43 -1.26 -5.13 115.29 109.79 2kkz s HIS 169 Ca 0.38 -0.05 -0.07 0.00 -0.80 0.00 0.00 55.06 54.52 2kkz s HIS 169 Cb 0.10 -1.49 -0.03 0.00 -1.43 0.00 0.00 32.58 29.72 2kkz s HIS 169 CO 0.02 0.50 0.89 0.95 -2.00 0.00 0.00 174.74 175.09 2kkz s THR 170 N -1.49 4.68 0.47 -5.38 -4.23 -1.26 -4.69 115.64 103.75 2kkz s THR 170 Ca 0.27 0.41 0.15 0.00 -1.18 0.00 0.00 61.69 61.35 2kkz s THR 170 Cb -0.11 -3.82 0.32 0.00 1.34 0.00 0.00 72.50 70.23 2kkz s THR 170 CO 0.19 -0.91 2.04 -0.29 -0.54 0.00 0.00 174.62 175.12 2kkz h ILE 171 N -0.02 0.93 -0.01 2.99 2.10 -1.77 -2.76 117.51 118.96 2kkz h ILE 171 Ca -0.46 -0.09 -0.14 0.00 1.08 0.00 0.00 64.86 65.26 2kkz h ILE 171 Cb 1.21 0.65 -0.02 0.00 -1.09 0.00 0.00 36.82 37.57 2kkz h ILE 171 CO 0.62 0.05 -0.65 -0.33 -1.08 0.00 0.00 178.15 176.76 2kkz h GLU 172 N 0.25 0.04 -0.93 2.19 5.08 -1.93 -2.72 114.58 116.56 2kkz h GLU 172 Ca 0.18 -0.03 -0.00 0.00 -1.00 0.00 0.00 59.36 58.50 2kkz h GLU 172 Cb 0.39 0.01 -0.05 0.00 0.50 0.00 0.00 28.75 29.60 2kkz h GLU 172 CO -0.04 0.67 0.57 -0.44 -1.00 0.00 0.00 179.01 178.78 2kkz h ASP 173 N 0.03 1.12 -0.62 1.42 3.32 -1.88 -2.60 116.42 117.21 2kkz h ASP 173 Ca -0.01 -0.06 -0.07 0.00 0.02 0.00 0.00 57.03 56.91 2kkz h ASP 173 Cb 1.15 -0.28 -0.03 0.00 0.22 0.00 0.00 39.33 40.39 2kkz h ASP 173 CO 0.09 0.85 0.11 0.58 -1.72 0.00 0.00 179.24 179.15 2kkz h VAL 174 N 1.29 1.26 -0.16 -1.35 2.07 -1.51 -1.02 116.25 116.83 2kkz h VAL 174 Ca 0.34 -1.00 0.01 0.00 0.82 0.00 0.00 66.70 66.87 2kkz h VAL 174 Cb -0.07 0.65 -0.01 0.00 -1.52 0.00 0.00 31.29 30.34 2kkz h VAL 174 CO -0.06 0.37 0.07 0.11 0.02 0.00 0.00 177.57 178.08 2kkz h LYS 175 N 0.98 0.16 -0.57 1.57 1.57 -1.19 -1.13 116.57 117.95 2kkz h LYS 175 Ca 0.20 -0.01 -0.09 0.00 -1.87 0.00 0.00 60.65 58.88 2kkz h LYS 175 Cb 0.41 -0.04 -0.02 0.00 0.08 0.00 0.00 32.23 32.66 2kkz h LYS 175 CO 0.01 0.11 0.01 -0.91 -0.57 0.00 0.00 179.45 178.10 2kkz h ASN 176 N 0.16 0.95 -0.52 0.86 2.35 -1.33 -2.18 115.58 115.87 2kkz h ASN 176 Ca 0.06 -0.25 -0.03 0.00 -0.55 0.00 0.00 56.30 55.53 2kkz h ASN 176 Cb 0.01 -0.25 -0.02 0.00 0.05 0.00 0.00 38.32 38.11 2kkz h ASN 176 CO -0.05 1.00 0.20 0.00 -1.65 0.00 0.00 177.43 176.93 2kkz h ALA 177 N 1.10 0.68 -0.22 -0.83 0.00 -0.89 -0.74 119.26 118.37 2kkz h ALA 177 Ca 0.17 -0.16 -0.10 0.00 0.00 0.00 0.00 54.91 54.82 2kkz h ALA 177 Cb 0.51 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.08 2kkz h ALA 177 CO 0.02 0.30 -0.28 0.82 0.00 0.00 0.00 179.25 180.12 2kkz h ILE 178 N 0.71 1.27 -0.26 0.00 2.04 -1.16 -1.13 117.51 118.98 2kkz h ILE 178 Ca 0.17 -1.30 -0.05 0.00 1.00 0.00 0.00 64.86 64.69 2kkz h ILE 178 Cb 0.21 1.41 -0.01 0.00 -0.74 0.00 0.00 36.82 37.69 2kkz h ILE 178 CO -0.01 0.41 -0.04 1.23 0.00 0.00 0.00 178.15 179.73 2kkz h GLY 179 N 1.04 0.43 0.86 5.37 0.00 -0.70 0.15 103.07 110.22 2kkz h GLY 179 Ca 0.05 -0.25 -0.21 0.00 0.00 0.00 0.00 47.33 46.92 2kkz h GLY 179 CO 0.05 0.23 -0.91 -2.08 0.00 0.00 0.00 176.54 173.83 2kkz h VAL 180 N 0.38 1.43 0.29 4.60 2.07 -0.91 -0.25 116.25 123.87 2kkz h VAL 180 Ca 0.08 -2.44 -0.00 0.00 0.82 0.00 0.00 66.70 65.16 2kkz h VAL 180 Cb 0.33 2.97 -0.02 0.00 -1.52 0.00 0.00 31.29 33.05 2kkz h VAL 180 CO 0.01 0.71 -0.26 0.25 0.02 0.00 0.00 177.57 178.30 2kkz h LEU 181 N -0.15 -0.68 -1.00 2.57 5.85 -1.10 -0.52 115.31 120.27 2kkz h LEU 181 Ca -0.15 0.06 0.05 0.00 0.84 0.00 0.00 57.88 58.68 2kkz h LEU 181 Cb 1.67 0.23 -0.06 0.00 0.37 0.00 0.00 40.66 42.87 2kkz h LEU 181 CO 0.17 -0.38 0.65 0.40 -0.34 0.00 0.00 178.44 178.94 2kkz h ILE 182 N -0.57 1.13 -0.01 4.05 2.04 -1.10 -2.25 117.51 120.81 2kkz h ILE 182 Ca -0.01 -0.42 0.00 0.00 1.00 0.00 0.00 64.86 65.43 2kkz h ILE 182 Cb 0.51 -0.19 -0.00 0.00 -0.74 0.00 0.00 36.82 36.40 2kkz h ILE 182 CO -0.04 0.22 0.03 1.23 0.00 0.00 0.00 178.15 179.60 2kkz h GLY 183 N 1.22 0.00 0.43 5.37 0.00 -0.34 0.19 103.07 109.94 2kkz h GLY 183 Ca 0.41 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.74 2kkz h GLY 183 CO -0.15 0.00 -1.27 0.61 0.00 0.00 0.00 176.54 175.74 2kkz n GLY 184 N -1.18 -1.16 0.10 4.60 0.00 -0.27 -4.28 105.19 103.00 2kkz n GLY 184 Ca -0.03 -0.43 -0.12 0.00 0.00 0.00 0.00 46.02 45.44 2kkz n GLY 184 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2kkz n LEU 185 N -2.07 1.26 0.08 0.99 4.77 -0.24 -4.09 117.00 117.69 2kkz n LEU 185 Ca 0.00 0.30 -0.08 0.00 -0.03 0.00 0.00 56.01 56.20 2kkz n LEU 185 Cb 0.47 -0.13 -0.05 0.00 -2.33 0.00 0.00 43.42 41.38 2kkz n LEU 185 CO 0.42 0.53 0.18 1.05 -1.33 0.00 0.00 177.39 178.24 2kkz h GLU 186 N 0.02 0.11 0.00 3.23 -0.00 -0.91 -1.18 114.58 115.85 2kkz h GLU 186 Ca -0.36 -0.15 -0.05 0.00 -0.00 0.00 0.00 59.36 58.80 2kkz h GLU 186 Cb 2.04 0.05 -0.01 0.00 -0.00 0.00 0.00 28.75 30.84 2kkz h GLU 186 CO 0.07 0.98 -0.24 0.07 -0.00 0.00 0.00 179.01 179.89 2kkz h ARG 187 N 0.05 0.00 0.00 1.06 0.11 -1.77 -1.54 114.38 112.28 2kkz h ARG 187 Ca -0.04 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.04 2kkz h ARG 187 Cb 1.64 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.72 2kkz h ARG 187 CO 0.14 0.24 -0.08 0.09 0.10 0.00 0.00 179.97 180.46 2kkz n ASN 188 N -3.49 0.21 -3.23 0.08 4.13 -1.07 -4.28 115.26 107.60 2kkz n ASN 188 Ca -0.00 0.41 -0.10 0.00 1.68 0.00 0.00 54.58 56.57 2kkz n ASN 188 Cb 0.41 -0.43 0.03 0.00 -1.54 0.00 0.00 39.78 38.24 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 -1.64 -6.99 -4.70 6.41 2.03 -0.58 -3.88 116.55 107.20 2kkz n ASP 189 Ca 0.06 -0.43 -0.32 0.00 0.52 0.00 0.00 54.79 54.62 2kkz n ASP 189 Cb 0.36 -4.84 -0.08 0.00 -0.72 0.00 0.00 41.12 35.83 2kkz n ASP 189 CO 0.00 0.00 0.00 0.20 -1.92 0.00 0.00 177.20 175.48 2kkz s ASN 190 N -3.17 5.17 -0.70 1.67 0.01 -0.49 -1.38 114.94 116.06 2kkz s ASN 190 Ca 0.20 -0.02 -0.25 0.00 -0.71 0.00 0.00 52.86 52.08 2kkz s ASN 190 Cb -0.04 -1.35 0.05 0.00 0.41 0.00 0.00 41.25 40.32 2kkz s ASN 190 CO 0.77 0.26 1.14 -0.89 -1.51 0.00 0.00 177.10 176.87 2kkz s THR 191 N -1.14 3.99 -0.15 1.60 2.01 -0.25 -4.63 115.64 117.07 2kkz s THR 191 Ca 0.21 0.10 -0.09 0.00 0.31 0.00 0.00 61.69 62.22 2kkz s THR 191 Cb -0.12 -4.81 -0.05 0.00 0.01 0.00 0.00 72.50 67.54 2kkz s THR 191 CO 0.12 -1.66 0.16 0.68 -0.69 0.00 0.00 174.62 173.23 2kkz s VAL 192 N 4.99 5.42 -0.04 3.82 -7.23 -1.26 -0.68 120.40 125.42 2kkz s VAL 192 Ca 0.30 0.27 0.01 0.00 -1.81 0.00 0.00 61.98 60.74 2kkz s VAL 192 Cb -0.12 -3.47 0.02 0.00 0.56 0.00 0.00 36.38 33.38 2kkz s VAL 192 CO 0.13 0.52 -0.03 -0.60 -0.31 0.00 0.00 175.10 174.81 2kkz s ARG 193 N -0.27 0.63 0.12 4.82 6.06 -1.05 -5.00 118.95 124.25 2kkz s ARG 193 Ca 0.13 -0.04 -0.16 0.00 -2.50 0.00 0.00 55.73 53.16 2kkz s ARG 193 Cb -0.12 -0.70 -0.07 0.00 0.06 0.00 0.00 34.95 34.12 2kkz s ARG 193 CO 0.02 -0.10 0.55 0.08 -2.50 0.00 0.00 175.30 173.35 2kkz s VAL 194 N 0.94 4.82 0.70 7.11 1.01 -1.26 -1.30 120.40 132.42 2kkz s VAL 194 Ca -0.11 0.97 -0.14 0.00 0.00 0.00 0.00 61.98 62.70 2kkz s VAL 194 Cb -0.14 -3.79 0.02 0.00 0.00 0.00 0.00 36.38 32.47 2kkz s VAL 194 CO -0.00 0.36 1.11 -0.55 0.00 0.00 0.00 175.10 176.02 2kkz s SER 195 N -1.48 4.82 0.19 3.32 0.15 -0.42 -4.74 113.70 115.53 2kkz s SER 195 Ca 0.34 1.97 -0.15 0.00 0.70 0.00 0.00 55.95 58.82 2kkz s SER 195 Cb -0.17 -2.54 0.18 0.00 -1.71 0.00 0.00 66.02 61.78 2kkz s SER 195 CO 0.19 -1.83 1.66 0.11 1.20 0.00 0.00 173.24 174.57 2kkz h LYS 196 N -0.38 0.03 0.08 5.44 1.79 -1.97 0.23 116.57 121.80 2kkz h LYS 196 Ca -0.46 -0.00 -0.00 0.00 -2.18 0.00 0.00 60.65 58.01 2kkz h LYS 196 Cb 1.25 -0.01 0.00 0.00 -1.58 0.00 0.00 32.23 31.89 2kkz h LYS 196 CO 0.53 0.02 -0.04 1.79 -1.08 0.00 0.00 179.45 180.67 2kkz h THR 197 N 0.03 0.96 -0.65 -0.16 1.35 -1.98 -2.80 112.91 109.66 2kkz h THR 197 Ca 0.25 -0.13 0.01 0.00 -0.55 0.00 0.00 66.41 65.99 2kkz h THR 197 Cb 0.39 1.05 -0.03 0.00 -1.73 0.00 0.00 68.15 67.82 2kkz h THR 197 CO -0.50 0.03 0.43 -0.07 -0.25 0.00 0.00 175.52 175.16 2kkz h LEU 198 N -0.17 0.75 0.12 3.87 3.38 -1.68 0.11 115.31 121.70 2kkz h LEU 198 Ca -0.01 -0.02 -0.01 0.00 0.09 0.00 0.00 57.88 57.93 2kkz h LEU 198 Cb 0.14 -0.19 0.00 0.00 0.09 0.00 0.00 40.66 40.70 2kkz h LEU 198 CO 0.02 0.55 -0.06 1.56 0.09 0.00 0.00 178.44 180.60 2kkz h GLN 199 N 0.88 -0.16 0.00 1.13 4.20 -0.91 0.97 115.11 121.23 2kkz h GLN 199 Ca 0.24 0.01 -0.09 0.00 0.06 0.00 0.00 58.65 58.87 2kkz h GLN 199 Cb -0.10 0.04 -0.01 0.00 0.30 0.00 0.00 27.48 27.71 2kkz h GLN 199 CO -0.05 0.14 -0.41 0.07 -0.67 0.00 0.00 178.83 177.91 2kkz h ARG 200 N -0.46 0.00 0.00 1.46 -0.00 -1.22 -3.16 114.38 111.00 2kkz h ARG 200 Ca -0.02 0.00 -0.01 0.00 -0.00 0.00 0.00 59.98 59.95 2kkz h ARG 200 Cb 0.37 0.00 -0.00 0.00 -0.00 0.00 0.00 29.97 30.34 2kkz h ARG 200 CO 0.03 0.41 -0.14 0.74 -0.00 0.00 0.00 179.97 181.01 2kkz h PHE 201 N 0.00 0.00 0.00 4.08 0.04 -1.02 -3.47 116.94 116.57 2kkz h PHE 201 Ca -0.00 0.00 -0.02 0.00 2.80 0.00 0.00 57.97 60.75 2kkz h PHE 201 Cb 1.18 0.00 -0.00 0.00 2.20 0.00 0.00 35.95 39.33 2kkz h PHE 201 CO 0.00 0.29 -0.40 0.00 -0.60 0.00 0.00 178.31 177.60 2kkz n ALA 202 N -2.91 2.67 -2.05 2.45 0.00 -0.42 -4.58 120.51 115.67 2kkz n ALA 202 Ca -0.05 -0.14 -0.42 0.00 0.00 0.00 0.00 53.44 52.83 2kkz n ALA 202 Cb 0.18 0.27 -0.00 0.00 0.00 0.00 0.00 19.45 19.89 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 -3.55 3.93 -0.95 0.00 -0.00 0.20 -4.61 117.44 112.46 2kkz n TRP 203 Ca -0.04 -2.88 0.05 0.00 -0.00 0.00 0.00 57.50 54.64 2kkz n TRP 203 Cb 0.19 -2.57 0.37 0.00 -0.00 0.00 0.00 31.31 29.29 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 4.63 3.30 2.72 5.87 0.00 -1.24 -4.52 105.19 115.97 2kkz n GLY 204 Ca 0.51 -0.96 -0.19 0.00 0.00 0.00 0.00 46.02 45.38 2kkz n GLY 204 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2kkz s SER 205 N -1.05 1.59 -0.85 1.61 1.04 -1.26 -5.10 113.70 109.69 2kkz s SER 205 Ca 0.53 -1.36 -0.25 0.00 0.48 0.00 0.00 55.95 55.35 2kkz s SER 205 Cb 0.41 0.42 0.05 0.00 0.10 0.00 0.00 66.02 66.99 2kkz s SER 205 CO 0.14 -0.31 1.31 -0.94 0.98 0.00 0.00 173.24 174.42 2kkz s SER 206 N 1.72 6.31 0.00 7.02 1.04 -1.26 -4.83 113.70 123.71 2kkz s SER 206 Ca 0.14 -0.95 0.02 0.00 0.48 0.00 0.00 55.95 55.64 2kkz s SER 206 Cb -0.16 -2.55 0.05 0.00 0.10 0.00 0.00 66.02 63.47 2kkz s SER 206 CO -0.14 -1.65 0.90 -0.46 0.98 0.00 0.00 173.24 172.88 2kkz n ASN 207 N 8.93 1.88 -3.59 7.02 0.23 -1.26 -4.93 115.26 123.54 2kkz n ASN 207 Ca 0.15 -1.72 -0.29 0.00 -0.53 0.00 0.00 54.58 52.19 2kkz n ASN 207 Cb 0.49 -0.03 -0.15 0.00 -2.08 0.00 0.00 39.78 38.01 2kkz n ASN 207 CO 0.00 0.00 0.00 -0.70 -0.93 0.00 0.00 177.26 175.63 2kkz s GLU 208 N -0.75 0.27 -0.01 -3.83 2.56 -1.26 -4.92 118.70 110.76 2kkz s GLU 208 Ca 0.04 -0.55 0.14 0.00 0.00 0.00 0.00 54.97 54.59 2kkz s GLU 208 Cb 0.02 -1.41 0.23 0.00 2.00 0.00 0.00 34.13 34.98 2kkz s GLU 208 CO 0.03 -0.96 1.10 0.09 -0.56 0.00 0.00 175.26 174.96 2kkz n ASN 209 N 5.18 0.04 -0.23 -1.70 3.02 -1.26 -4.93 115.26 115.38 2kkz n ASN 209 Ca -0.06 -2.00 -0.07 0.00 -0.03 0.00 0.00 54.58 52.42 2kkz n ASN 209 Cb 0.43 -0.01 0.04 0.00 -0.61 0.00 0.00 39.78 39.63 2kkz n ASN 209 CO 0.00 0.00 0.00 1.23 -2.62 0.00 0.00 177.26 175.87 2kkz h GLY 210 N 0.57 1.04 -2.57 7.41 0.00 -1.91 -3.50 103.07 104.12 2kkz h GLY 210 Ca -0.39 -0.57 0.16 0.00 0.00 0.00 0.00 47.33 46.53 2kkz h GLY 210 CO -0.08 0.54 -0.84 0.54 0.00 0.00 0.00 176.54 176.70 2kkz n ARG 211 N -4.41 -2.59 -2.56 4.80 1.74 -1.26 -4.87 116.66 107.50 2kkz n ARG 211 Ca 0.04 2.08 -0.42 0.00 -0.77 0.00 0.00 57.85 58.79 2kkz n ARG 211 Cb 0.17 -2.82 -0.03 0.00 -1.02 0.00 0.00 32.46 28.76 2kkz n ARG 211 CO 0.00 0.00 0.00 -1.25 -1.52 0.00 0.00 177.63 174.86 2kkz s PRO 212 N -4.33 4.51 -0.17 5.56 0.04 -1.23 -4.82 135.00 134.55 2kkz s PRO 212 Ca 0.00 1.60 -0.39 0.00 0.04 0.00 0.00 61.00 62.25 2kkz s PRO 212 Cb 0.00 -3.39 -0.16 0.00 0.04 0.00 0.00 34.50 30.99 2kkz s PRO 212 CO 0.00 -0.13 1.61 -2.30 0.04 0.00 0.00 177.00 176.22 2kkz n PRO 213 N 3.78 1.11 -2.19 0.56 -0.02 -1.26 -4.81 135.00 132.16 2kkz n PRO 213 Ca 0.07 0.40 -0.31 0.00 -2.02 0.00 0.00 63.50 61.64 2kkz n PRO 213 Cb 0.48 -2.07 -0.05 0.00 -0.02 0.00 0.00 33.50 31.85 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 2.55 3.25 0.34 2.45 1.43 -1.26 -4.95 118.68 122.50 2kkz s LEU 214 Ca 0.94 -1.56 -0.27 0.00 -1.03 0.00 0.00 54.13 52.21 2kkz s LEU 214 Cb -1.05 -2.58 -0.09 0.00 0.03 0.00 0.00 46.19 42.50 2kkz s LEU 214 CO 0.60 -2.54 1.12 0.42 0.23 0.00 0.00 176.35 176.18 2kkz s THR 215 N 9.12 3.41 0.50 5.49 -4.23 -1.26 -5.01 115.64 123.66 2kkz s THR 215 Ca 0.64 1.27 -0.22 0.00 -1.18 0.00 0.00 61.69 62.20 2kkz s THR 215 Cb -0.01 -3.75 -0.06 0.00 1.34 0.00 0.00 72.50 70.02 2kkz s THR 215 CO 0.07 0.19 1.23 -1.48 -0.54 0.00 0.00 174.62 174.09 2kkz s LEU 216 N -2.05 3.93 0.00 4.79 0.05 -1.26 -5.29 118.68 118.85 2kkz s LEU 216 Ca 0.51 2.45 0.27 0.00 0.05 0.00 0.00 54.13 57.41 2kkz s LEU 216 Cb -0.30 -4.29 0.77 0.00 -2.05 0.00 0.00 46.19 40.33 2kkz s LEU 216 CO 0.38 -1.18 1.59 -0.62 -0.55 0.00 0.00 176.35 175.96