#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 0.76 -0.34 3.17 0.04 -1.26 -4.98 135.00 132.39 2kkz s PRO 85 Ca 0.00 -0.19 -0.28 0.00 0.04 0.00 0.00 61.00 60.57 2kkz s PRO 85 Cb 0.00 -1.84 -0.02 0.00 0.04 0.00 0.00 34.50 32.68 2kkz s PRO 85 CO 0.00 -2.37 1.81 0.00 0.04 0.00 0.00 177.00 176.48 2kkz s ALA 86 N -3.66 2.85 -0.06 8.56 0.00 -1.26 -4.81 121.76 123.37 2kkz s ALA 86 Ca 0.70 0.24 0.04 0.00 0.00 0.00 0.00 51.96 52.94 2kkz s ALA 86 Cb -0.07 -4.02 0.00 0.00 0.00 0.00 0.00 23.12 19.03 2kkz s ALA 86 CO 0.53 -2.67 -0.18 -1.12 0.00 0.00 0.00 175.76 172.32 2kkz s SER 87 N 6.17 2.32 0.10 0.00 0.01 -1.26 -1.33 113.70 119.72 2kkz s SER 87 Ca 0.80 -0.40 -0.20 0.00 1.31 0.00 0.00 55.95 57.46 2kkz s SER 87 Cb -0.22 -0.88 0.05 0.00 0.21 0.00 0.00 66.02 65.18 2kkz s SER 87 CO 0.33 0.12 0.50 -0.60 0.41 0.00 0.00 173.24 174.01 2kkz s ARG 88 N 0.30 1.12 -0.28 12.44 3.52 -1.04 -4.99 118.95 130.01 2kkz s ARG 88 Ca -0.11 -0.46 0.02 0.00 -0.13 0.00 0.00 55.73 55.05 2kkz s ARG 88 Cb -0.15 0.50 0.08 0.00 -1.56 0.00 0.00 34.95 33.83 2kkz s ARG 88 CO 0.04 -0.44 -0.01 0.71 -0.81 0.00 0.00 175.30 174.79 2kkz s TYR 89 N -3.27 2.85 0.24 5.12 2.02 -1.26 -0.13 117.35 122.91 2kkz s TYR 89 Ca -0.01 -2.21 -0.30 0.00 -0.37 0.00 0.00 57.07 54.18 2kkz s TYR 89 Cb 0.00 -2.04 -0.09 0.00 -0.40 0.00 0.00 41.96 39.43 2kkz s TYR 89 CO -0.08 -0.86 0.94 0.42 -1.57 0.00 0.00 175.55 174.40 2kkz s ILE 90 N 1.23 4.07 -0.35 2.71 -1.09 -0.34 -4.95 121.20 122.49 2kkz s ILE 90 Ca 0.00 2.08 -0.01 0.00 -2.23 0.00 0.00 60.65 60.50 2kkz s ILE 90 Cb -0.19 -4.32 0.13 0.00 -1.58 0.00 0.00 42.46 36.49 2kkz s ILE 90 CO -0.09 0.49 0.19 0.42 -1.23 0.00 0.00 174.94 174.72 2kkz s THR 91 N -1.15 0.36 -0.37 2.92 -4.23 -1.26 -1.16 115.64 110.75 2kkz s THR 91 Ca 0.41 -1.60 0.21 0.00 -1.18 0.00 0.00 61.69 59.53 2kkz s THR 91 Cb -0.26 -1.27 0.25 0.00 1.34 0.00 0.00 72.50 72.56 2kkz s THR 91 CO 0.32 -0.89 1.52 0.44 -0.54 0.00 0.00 174.62 175.47 2kkz h ASP 92 N 7.37 0.00 -3.46 3.99 3.32 -1.76 -3.44 116.42 122.44 2kkz h ASP 92 Ca -0.02 0.00 -0.61 0.00 0.02 0.00 0.00 57.03 56.41 2kkz h ASP 92 Cb 0.98 0.00 -0.14 0.00 0.22 0.00 0.00 39.33 40.38 2kkz h ASP 92 CO 0.35 0.11 -0.51 -0.04 -1.72 0.00 0.00 179.24 177.43 2kkz s MET 93 N -3.17 4.08 0.90 3.56 -1.94 -1.26 -4.84 119.30 116.62 2kkz s MET 93 Ca 0.06 -0.27 -0.12 0.00 -1.71 0.00 0.00 55.69 53.64 2kkz s MET 93 Cb 0.06 -3.46 0.17 0.00 2.01 0.00 0.00 34.83 33.61 2kkz s MET 93 CO 0.70 0.14 1.24 0.99 -0.01 0.00 0.00 175.02 178.08 2kkz s THR 94 N 0.80 2.04 0.16 2.05 2.01 -1.26 -4.84 115.64 116.59 2kkz s THR 94 Ca 0.07 -0.13 -0.13 0.00 0.31 0.00 0.00 61.69 61.81 2kkz s THR 94 Cb -0.13 -2.90 0.05 0.00 0.01 0.00 0.00 72.50 69.53 2kkz s THR 94 CO 0.02 0.00 1.71 0.40 -0.69 0.00 0.00 174.62 176.06 2kkz h ILE 95 N -1.35 1.22 -0.07 1.82 5.03 -1.99 -1.15 117.51 121.02 2kkz h ILE 95 Ca -0.43 -0.71 -0.00 0.00 -0.12 0.00 0.00 64.86 63.60 2kkz h ILE 95 Cb 1.25 0.67 -0.00 0.00 -3.03 0.00 0.00 36.82 35.71 2kkz h ILE 95 CO 0.41 0.27 0.03 -0.33 -0.68 0.00 0.00 178.15 177.85 2kkz h GLU 96 N 0.74 0.10 0.00 2.37 5.08 -1.95 -2.42 114.58 118.50 2kkz h GLU 96 Ca 0.18 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.52 2kkz h GLU 96 Cb 0.22 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.45 2kkz h GLU 96 CO -0.01 0.19 0.00 1.05 -1.00 0.00 0.00 179.01 179.24 2kkz h GLU 97 N -0.01 0.00 -0.11 2.33 4.11 -1.93 0.11 114.58 119.07 2kkz h GLU 97 Ca 0.02 0.00 -0.10 0.00 0.07 0.00 0.00 59.36 59.36 2kkz h GLU 97 Cb 0.12 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.36 2kkz h GLU 97 CO -0.00 0.00 -0.37 1.25 0.07 0.00 0.00 179.01 179.96 2kkz h LEU 98 N 0.00 0.24 -3.06 3.06 5.85 -0.98 -3.21 115.31 117.20 2kkz h LEU 98 Ca 0.00 -0.09 0.00 0.00 0.84 0.00 0.00 57.88 58.63 2kkz h LEU 98 Cb 0.74 -0.07 0.00 0.00 0.37 0.00 0.00 40.66 41.70 2kkz h LEU 98 CO 0.00 0.59 0.00 -0.24 -0.34 0.00 0.00 178.44 178.45 2kkz n SER 99 N -4.07 2.76 -4.77 1.25 2.88 -0.93 -5.08 113.62 105.67 2kkz n SER 99 Ca -0.01 -2.88 -0.39 0.00 -1.33 0.00 0.00 58.87 54.25 2kkz n SER 99 Cb 0.44 -0.40 -0.01 0.00 -0.75 0.00 0.00 64.21 63.50 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 -2.54 3.99 -0.17 -1.46 6.06 0.34 -4.99 118.95 120.18 2kkz s ARG 100 Ca 0.30 2.09 -0.29 0.00 -2.50 0.00 0.00 55.73 55.33 2kkz s ARG 100 Cb 0.25 -2.75 -0.01 0.00 0.06 0.00 0.00 34.95 32.51 2kkz s ARG 100 CO 0.05 -0.45 1.14 -0.51 -2.50 0.00 0.00 175.30 173.03 2kkz s ASP 101 N -0.82 7.05 0.02 -2.12 1.11 -1.26 -5.04 116.67 115.61 2kkz s ASP 101 Ca 0.57 1.57 -0.00 0.00 0.18 0.00 0.00 52.55 54.86 2kkz s ASP 101 Cb -0.36 -2.54 -0.02 0.00 1.07 0.00 0.00 42.92 41.06 2kkz s ASP 101 CO 0.47 -0.67 -0.02 -1.66 1.18 0.00 0.00 175.17 174.46 2kkz s TRP 102 N 3.08 0.24 -0.02 4.23 1.48 -1.26 -4.87 118.94 121.81 2kkz s TRP 102 Ca 0.50 -0.48 0.02 0.00 -1.06 0.00 0.00 56.10 55.08 2kkz s TRP 102 Cb -0.19 -0.17 0.01 0.00 -1.16 0.00 0.00 33.47 31.95 2kkz s TRP 102 CO 0.12 -0.18 -0.06 -0.59 -4.06 0.00 0.00 176.95 172.18 2kkz s PHE 103 N -1.35 0.72 -0.37 1.66 -0.12 -1.26 -5.09 117.98 112.18 2kkz s PHE 103 Ca -0.15 -0.17 -0.13 0.00 -0.05 0.00 0.00 56.93 56.44 2kkz s PHE 103 Cb -0.09 -0.54 0.01 0.00 -0.63 0.00 0.00 43.02 41.76 2kkz s PHE 103 CO -0.01 -0.09 0.24 -1.64 -0.05 0.00 0.00 175.22 173.67 2kkz s MET 104 N 0.29 3.14 0.20 1.99 -1.94 -1.26 -4.97 119.30 116.75 2kkz s MET 104 Ca -0.04 -0.88 -0.07 0.00 -1.71 0.00 0.00 55.69 52.99 2kkz s MET 104 Cb -0.08 -3.81 0.14 0.00 2.01 0.00 0.00 34.83 33.09 2kkz s MET 104 CO 0.00 -0.60 1.68 1.25 -0.01 0.00 0.00 175.02 177.34 2kkz h LEU 105 N 8.50 0.98 -7.11 -0.03 5.85 -1.98 -3.33 115.31 118.20 2kkz h LEU 105 Ca -0.29 -0.27 -0.62 0.00 0.84 0.00 0.00 57.88 57.54 2kkz h LEU 105 Cb 1.13 -0.26 -0.41 0.00 0.37 0.00 0.00 40.66 41.49 2kkz h LEU 105 CO 0.67 1.03 -0.67 -0.04 -0.34 0.00 0.00 178.44 179.09 2kkz s MET 106 N -5.01 1.84 0.16 1.25 -1.94 -1.26 -4.98 119.30 109.36 2kkz s MET 106 Ca -0.11 -2.62 -0.31 0.00 -1.71 0.00 0.00 55.69 50.94 2kkz s MET 106 Cb 0.14 -2.93 -0.09 0.00 2.01 0.00 0.00 34.83 33.96 2kkz s MET 106 CO 0.85 -1.20 1.43 -1.25 -0.01 0.00 0.00 175.02 174.84 2kkz s PRO 107 N -0.42 4.29 -0.10 2.03 0.04 -1.25 -2.12 135.00 137.47 2kkz s PRO 107 Ca 0.21 2.18 -0.01 0.00 0.04 0.00 0.00 61.00 63.42 2kkz s PRO 107 Cb -0.17 -3.20 0.03 0.00 0.04 0.00 0.00 34.50 31.20 2kkz s PRO 107 CO -0.06 -0.45 -0.05 0.21 0.04 0.00 0.00 177.00 176.69 2kkz s LYS 108 N 0.72 1.19 -0.39 4.56 2.47 -0.52 -4.94 119.74 122.83 2kkz s LYS 108 Ca 0.64 -0.12 -0.07 0.00 -1.56 0.00 0.00 55.97 54.86 2kkz s LYS 108 Cb -0.39 -1.36 0.07 0.00 -1.46 0.00 0.00 37.83 34.68 2kkz s LYS 108 CO 0.33 -0.28 0.20 -1.14 0.16 0.00 0.00 175.35 174.62 2kkz s GLN 109 N 1.81 2.53 -0.38 4.03 2.00 -1.26 -2.03 119.66 126.35 2kkz s GLN 109 Ca 0.05 -1.41 0.04 0.00 -2.00 0.00 0.00 55.36 52.04 2kkz s GLN 109 Cb -0.12 -3.64 0.11 0.00 0.80 0.00 0.00 33.01 30.16 2kkz s GLN 109 CO -0.07 -0.87 0.10 0.21 -0.50 0.00 0.00 175.29 174.17 2kkz s LYS 110 N 1.38 1.62 -0.10 1.67 2.47 -0.79 -5.00 119.74 120.99 2kkz s LYS 110 Ca 0.02 -2.03 -0.30 0.00 -1.56 0.00 0.00 55.97 52.10 2kkz s LYS 110 Cb -0.22 -3.26 -0.02 0.00 -1.46 0.00 0.00 37.83 32.88 2kkz s LYS 110 CO 0.01 -0.98 1.06 0.08 0.16 0.00 0.00 175.35 175.69 2kkz s VAL 111 N 0.67 4.63 -0.43 4.02 1.01 -1.26 -0.67 120.40 128.37 2kkz s VAL 111 Ca 0.12 1.92 0.03 0.00 0.00 0.00 0.00 61.98 64.05 2kkz s VAL 111 Cb -0.21 -4.23 0.12 0.00 0.00 0.00 0.00 36.38 32.06 2kkz s VAL 111 CO -0.06 -0.02 0.17 -0.70 0.00 0.00 0.00 175.10 174.49 2kkz s GLU 112 N 2.20 1.59 7.59 2.72 2.56 -0.26 -4.95 118.70 130.16 2kkz s GLU 112 Ca 0.50 -2.14 0.00 0.00 0.00 0.00 0.00 54.97 53.33 2kkz s GLU 112 Cb -0.20 -3.02 0.00 0.00 2.00 0.00 0.00 34.13 32.91 2kkz s GLU 112 CO 0.18 -1.05 0.00 0.41 -0.56 0.00 0.00 175.26 174.24 2kkz n GLY 113 N 3.72 2.98 0.99 -1.50 0.00 -1.26 -2.09 105.19 108.02 2kkz n GLY 113 Ca 0.05 -0.20 0.01 0.00 0.00 0.00 0.00 46.02 45.87 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 13.42 2.09 -4.39 1.61 -0.04 -1.26 -4.85 135.00 141.58 2kkz n PRO 114 Ca 0.00 -0.96 -0.19 0.00 -0.04 0.00 0.00 63.50 62.31 2kkz n PRO 114 Cb 0.00 -1.69 -0.10 0.00 -0.04 0.00 0.00 33.50 31.67 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 -0.86 2.17 -0.02 1.53 1.02 -0.89 -0.29 118.68 121.34 2kkz s LEU 115 Ca 0.17 -1.29 -0.00 0.00 0.02 0.00 0.00 54.13 53.02 2kkz s LEU 115 Cb 0.13 -0.33 0.03 0.00 0.02 0.00 0.00 46.19 46.04 2kkz s LEU 115 CO 0.05 -0.55 0.04 0.00 0.02 0.00 0.00 176.35 175.90 2kkz s ILE 117 N 1.01 4.45 -0.26 0.00 -1.09 0.16 -1.93 121.20 123.54 2kkz s ILE 117 Ca -0.08 -0.17 -0.11 0.00 -2.23 0.00 0.00 60.65 58.06 2kkz s ILE 117 Cb -0.12 -2.96 -0.05 0.00 -1.58 0.00 0.00 42.46 37.75 2kkz s ILE 117 CO -0.03 0.51 0.17 -0.13 -1.23 0.00 0.00 174.94 174.23 2kkz s ARG 118 N 0.02 4.02 -0.15 2.79 1.81 -0.00 -1.88 118.95 125.56 2kkz s ARG 118 Ca 0.04 -0.29 0.01 0.00 -1.72 0.00 0.00 55.73 53.77 2kkz s ARG 118 Cb -0.13 -3.59 0.02 0.00 -0.45 0.00 0.00 34.95 30.80 2kkz s ARG 118 CO 0.02 -0.04 -0.17 0.42 -0.68 0.00 0.00 175.30 174.84 2kkz s ILE 119 N 1.35 1.77 -0.40 1.52 -1.09 -0.86 -2.83 121.20 120.66 2kkz s ILE 119 Ca 0.07 -0.77 -0.18 0.00 -2.23 0.00 0.00 60.65 57.55 2kkz s ILE 119 Cb -0.15 -1.62 0.01 0.00 -1.58 0.00 0.00 42.46 39.13 2kkz s ILE 119 CO 0.07 0.49 0.47 -0.62 -1.23 0.00 0.00 174.94 174.12 2kkz s ASP 120 N 1.25 6.23 0.00 3.58 -1.08 -0.90 -1.44 116.67 124.33 2kkz s ASP 120 Ca 0.01 -0.43 0.29 0.00 -0.52 0.00 0.00 52.55 51.91 2kkz s ASP 120 Cb -0.14 -2.24 1.58 0.00 -1.46 0.00 0.00 42.92 40.67 2kkz s ASP 120 CO -0.09 -0.55 2.04 0.00 0.52 0.00 0.00 175.17 177.10 2kkz n GLN 121 N 5.69 0.62 0.01 4.34 6.02 -0.90 -2.98 117.38 130.18 2kkz n GLN 121 Ca -0.06 0.01 -0.04 0.00 -0.01 0.00 0.00 57.00 56.90 2kkz n GLN 121 Cb 0.48 -1.50 -0.11 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 3.56 0.70 -1.43 -1.58 0.00 -1.93 -3.46 119.26 115.12 2kkz h ALA 122 Ca 0.00 -1.11 -0.54 0.00 0.00 0.00 0.00 54.91 53.26 2kkz h ALA 122 Cb 0.16 0.34 -0.08 0.00 0.00 0.00 0.00 17.79 18.22 2kkz h ALA 122 CO 0.00 1.22 1.05 0.42 0.00 0.00 0.00 179.25 181.94 2kkz s ILE 123 N -2.77 3.78 0.05 0.00 -1.09 -1.16 -4.97 121.20 115.04 2kkz s ILE 123 Ca -0.03 0.53 0.05 0.00 -2.23 0.00 0.00 60.65 58.97 2kkz s ILE 123 Cb 0.08 -4.82 -0.02 0.00 -1.58 0.00 0.00 42.46 36.12 2kkz s ILE 123 CO 0.82 -1.67 -0.15 -0.04 -1.23 0.00 0.00 174.94 172.66 2kkz s MET 124 N 5.59 0.95 -1.18 2.79 -1.94 -1.26 -4.85 119.30 119.40 2kkz s MET 124 Ca 0.39 -0.85 -0.06 0.00 -1.71 0.00 0.00 55.69 53.45 2kkz s MET 124 Cb -0.08 -0.98 0.01 0.00 2.01 0.00 0.00 34.83 35.78 2kkz s MET 124 CO 0.18 0.24 1.02 -3.47 -0.01 0.00 0.00 175.02 172.98 2kkz n ASP 125 N 1.67 -5.10 -4.38 3.03 2.03 -0.44 -4.95 116.55 108.42 2kkz n ASP 125 Ca -0.19 -0.49 -0.29 0.00 0.52 0.00 0.00 54.79 54.33 2kkz n ASP 125 Cb 0.54 -4.55 -0.14 0.00 -0.72 0.00 0.00 41.12 36.26 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 -5.97 1.57 -0.47 -0.67 -0.14 -1.26 -4.91 119.74 107.89 2kkz s LYS 126 Ca 0.41 -1.25 -0.27 0.00 -1.36 0.00 0.00 55.97 53.51 2kkz s LYS 126 Cb -0.18 -1.94 0.03 0.00 -1.68 0.00 0.00 37.83 34.05 2kkz s LYS 126 CO 0.65 0.48 0.99 -0.80 -0.76 0.00 0.00 175.35 175.90 2kkz s ASN 127 N -1.76 6.54 -0.08 2.83 0.01 -1.26 -1.08 114.94 120.14 2kkz s ASN 127 Ca 0.13 0.22 0.04 0.00 -0.71 0.00 0.00 52.86 52.54 2kkz s ASN 127 Cb -0.10 -2.48 -0.01 0.00 0.41 0.00 0.00 41.25 39.07 2kkz s ASN 127 CO 0.05 -1.12 -0.20 -0.63 -1.51 0.00 0.00 177.10 173.69 2kkz s ILE 128 N 3.97 2.47 -0.18 0.60 1.01 -0.21 0.07 121.20 128.94 2kkz s ILE 128 Ca 0.40 -0.90 -0.03 0.00 0.00 0.00 0.00 60.65 60.12 2kkz s ILE 128 Cb -0.09 -1.96 -0.02 0.00 0.01 0.00 0.00 42.46 40.41 2kkz s ILE 128 CO 0.28 0.56 -0.06 -0.32 0.00 0.00 0.00 174.94 175.40 2kkz s MET 129 N -0.07 3.47 -0.53 2.79 -2.45 0.31 -0.94 119.30 121.87 2kkz s MET 129 Ca -0.05 -0.61 -0.17 0.00 -1.25 0.00 0.00 55.69 53.61 2kkz s MET 129 Cb -0.14 -2.88 0.09 0.00 1.25 0.00 0.00 34.83 33.14 2kkz s MET 129 CO 0.04 0.04 0.56 -0.51 1.05 0.00 0.00 175.02 176.20 2kkz s LEU 130 N 0.85 5.55 0.07 4.11 1.43 -0.28 -1.31 118.68 129.10 2kkz s LEU 130 Ca -0.02 -1.37 -0.02 0.00 -1.03 0.00 0.00 54.13 51.69 2kkz s LEU 130 Cb -0.15 -2.28 -0.05 0.00 0.03 0.00 0.00 46.19 43.75 2kkz s LEU 130 CO 0.01 -0.88 0.26 -0.54 0.23 0.00 0.00 176.35 175.43 2kkz s LYS 131 N 2.15 3.50 -0.01 1.70 1.02 -0.42 -0.92 119.74 126.75 2kkz s LYS 131 Ca 0.08 -0.30 -0.04 0.00 0.02 0.00 0.00 55.97 55.74 2kkz s LYS 131 Cb -0.24 -2.99 0.00 0.00 -0.52 0.00 0.00 37.83 34.07 2kkz s LYS 131 CO 0.07 0.58 0.08 0.00 -0.92 0.00 0.00 175.35 175.16 2kkz s ALA 132 N -1.52 -0.18 -0.26 5.17 0.00 -1.26 -0.91 121.76 122.80 2kkz s ALA 132 Ca 0.35 -0.01 -0.11 0.00 0.00 0.00 0.00 51.96 52.19 2kkz s ALA 132 Cb -0.13 -0.03 -0.05 0.00 0.00 0.00 0.00 23.12 22.92 2kkz s ALA 132 CO 0.25 -0.11 0.20 -0.80 0.00 0.00 0.00 175.76 175.30 2kkz s ASN 133 N -0.61 6.09 0.12 0.00 0.01 0.06 -1.89 114.94 118.73 2kkz s ASN 133 Ca -0.07 0.08 -0.16 0.00 -0.71 0.00 0.00 52.86 52.01 2kkz s ASN 133 Cb -0.04 -2.12 0.03 0.00 0.41 0.00 0.00 41.25 39.53 2kkz s ASN 133 CO 0.00 -0.01 0.39 0.72 -1.51 0.00 0.00 177.10 176.69 2kkz s PHE 134 N 1.44 -0.18 0.34 2.20 -0.12 -0.31 -1.50 117.98 119.85 2kkz s PHE 134 Ca 0.08 -0.13 -0.05 0.00 -0.05 0.00 0.00 56.93 56.78 2kkz s PHE 134 Cb -0.15 0.23 -0.05 0.00 -0.63 0.00 0.00 43.02 42.43 2kkz s PHE 134 CO 0.08 -0.68 0.62 0.45 -0.05 0.00 0.00 175.22 175.63 2kkz s SER 135 N -2.77 6.40 -0.03 1.98 0.15 -0.58 -1.20 113.70 117.65 2kkz s SER 135 Ca 0.03 0.77 0.03 0.00 0.70 0.00 0.00 55.95 57.47 2kkz s SER 135 Cb 0.02 -2.17 0.00 0.00 -1.71 0.00 0.00 66.02 62.16 2kkz s SER 135 CO -0.12 -0.30 -0.11 -0.69 1.20 0.00 0.00 173.24 173.22 2kkz s VAL 136 N -2.27 0.94 -0.04 4.45 1.01 0.82 -1.37 120.40 123.94 2kkz s VAL 136 Ca 0.45 -0.45 -0.07 0.00 0.00 0.00 0.00 61.98 61.91 2kkz s VAL 136 Cb -0.10 -0.82 0.01 0.00 0.00 0.00 0.00 36.38 35.46 2kkz s VAL 136 CO 0.33 0.28 0.17 -0.51 0.00 0.00 0.00 175.10 175.38 2kkz s ILE 137 N 0.12 0.03 -1.81 2.22 1.10 -0.15 -2.51 121.20 120.21 2kkz s ILE 137 Ca -0.03 -0.28 0.00 0.00 -0.51 0.00 0.00 60.65 59.84 2kkz s ILE 137 Cb -0.09 -0.34 0.00 0.00 0.15 0.00 0.00 42.46 42.18 2kkz s ILE 137 CO 0.01 -0.15 0.00 0.49 -2.11 0.00 0.00 174.94 173.18 2kkz n PHE 138 N 2.34 -0.37 -0.90 3.50 3.72 -0.44 -1.42 117.46 123.89 2kkz n PHE 138 Ca -0.17 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.23 2kkz n PHE 138 Cb 0.57 -3.35 0.00 0.00 -0.94 0.00 0.00 39.48 35.76 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 -1.22 -2.37 -4.75 4.37 2.03 -1.04 -4.88 116.55 108.69 2kkz n ASP 139 Ca -0.20 0.00 -0.26 0.00 0.52 0.00 0.00 54.79 54.85 2kkz n ASP 139 Cb 0.63 -1.52 -0.07 0.00 -0.72 0.00 0.00 41.12 39.45 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 -0.69 2.20 0.02 -0.67 1.70 -0.50 -4.99 118.95 116.01 2kkz s ARG 140 Ca 0.00 -1.96 -0.30 0.00 -0.47 0.00 0.00 55.73 53.00 2kkz s ARG 140 Cb 0.00 -1.92 -0.06 0.00 -0.57 0.00 0.00 34.95 32.40 2kkz s ARG 140 CO 0.00 -0.21 1.45 -1.17 -1.08 0.00 0.00 175.30 174.29 2kkz s LEU 141 N -3.94 4.33 -0.04 -1.89 0.20 -1.26 -0.98 118.68 115.11 2kkz s LEU 141 Ca 0.35 2.20 -0.01 0.00 0.69 0.00 0.00 54.13 57.36 2kkz s LEU 141 Cb 0.03 -3.56 -0.00 0.00 -0.43 0.00 0.00 46.19 42.23 2kkz s LEU 141 CO 0.20 -0.75 -0.02 -0.08 -0.29 0.00 0.00 176.35 175.41 2kkz h GLU 142 N 7.86 0.00 -2.78 1.98 4.81 -1.48 -3.36 114.58 121.61 2kkz h GLU 142 Ca -0.39 0.00 -0.14 0.00 -0.13 0.00 0.00 59.36 58.70 2kkz h GLU 142 Cb 1.19 0.00 -0.27 0.00 0.63 0.00 0.00 28.75 30.29 2kkz h GLU 142 CO 0.91 0.00 -0.35 0.99 -0.73 0.00 0.00 179.01 179.82 2kkz s THR 143 N -1.27 -0.03 0.12 0.32 2.01 -1.25 -3.02 115.64 112.53 2kkz s THR 143 Ca -0.02 0.10 -0.30 0.00 0.31 0.00 0.00 61.69 61.78 2kkz s THR 143 Cb 0.00 -0.53 -0.07 0.00 0.01 0.00 0.00 72.50 71.91 2kkz s THR 143 CO 0.03 0.04 1.26 -0.22 -0.69 0.00 0.00 174.62 175.04 2kkz s LEU 144 N 1.23 4.40 -0.18 4.42 2.96 -1.26 -1.53 118.68 128.71 2kkz s LEU 144 Ca -0.08 2.20 -0.24 0.00 -0.22 0.00 0.00 54.13 55.78 2kkz s LEU 144 Cb -0.08 -3.59 -0.21 0.00 0.50 0.00 0.00 46.19 42.80 2kkz s LEU 144 CO -0.10 -0.50 0.41 0.40 -1.32 0.00 0.00 176.35 175.24 2kkz h ILE 145 N 4.15 1.22 -1.85 6.68 5.03 -1.66 -3.44 117.51 127.63 2kkz h ILE 145 Ca -0.43 -2.23 0.03 0.00 -0.12 0.00 0.00 64.86 62.11 2kkz h ILE 145 Cb 1.21 2.62 -0.20 0.00 -3.03 0.00 0.00 36.82 37.42 2kkz h ILE 145 CO 0.80 0.41 0.39 -0.22 -0.68 0.00 0.00 178.15 178.86 2kkz s LEU 146 N -8.00 -0.49 0.02 1.44 2.96 -0.56 -4.42 118.68 109.63 2kkz s LEU 146 Ca -0.25 0.47 0.02 0.00 -0.22 0.00 0.00 54.13 54.15 2kkz s LEU 146 Cb 0.03 2.16 -0.02 0.00 0.50 0.00 0.00 46.19 48.87 2kkz s LEU 146 CO 0.62 -0.49 -0.06 -0.22 -1.32 0.00 0.00 176.35 174.88 2kkz s LEU 147 N -1.32 2.15 -0.00 -0.68 0.20 -0.30 -0.76 118.68 117.97 2kkz s LEU 147 Ca -0.05 -0.35 -0.02 0.00 0.69 0.00 0.00 54.13 54.41 2kkz s LEU 147 Cb -0.00 -0.17 -0.00 0.00 -0.43 0.00 0.00 46.19 45.59 2kkz s LEU 147 CO 0.03 -0.10 0.03 -0.13 -0.29 0.00 0.00 176.35 175.89 2kkz s ARG 148 N -0.95 0.18 -0.35 1.98 0.52 -0.09 -0.86 118.95 119.38 2kkz s ARG 148 Ca -0.06 -0.20 -0.10 0.00 -0.52 0.00 0.00 55.73 54.86 2kkz s ARG 148 Cb -0.07 0.07 0.02 0.00 0.52 0.00 0.00 34.95 35.50 2kkz s ARG 148 CO 0.00 -0.03 0.18 0.00 0.02 0.00 0.00 175.30 175.46 2kkz s ALA 149 N -0.60 3.24 -0.11 2.13 0.00 -0.35 -1.30 121.76 124.78 2kkz s ALA 149 Ca -0.07 -1.62 -0.03 0.00 0.00 0.00 0.00 51.96 50.24 2kkz s ALA 149 Cb -0.04 -2.48 -0.03 0.00 0.00 0.00 0.00 23.12 20.56 2kkz s ALA 149 CO -0.00 -1.23 0.01 -0.06 0.00 0.00 0.00 175.76 174.48 2kkz s PHE 150 N 1.55 3.17 1.09 0.00 0.40 -0.43 -1.03 117.98 122.73 2kkz s PHE 150 Ca 0.02 0.12 -0.18 0.00 -0.60 0.00 0.00 56.93 56.29 2kkz s PHE 150 Cb -0.19 -1.86 0.26 0.00 0.51 0.00 0.00 43.02 41.75 2kkz s PHE 150 CO 0.06 0.36 1.25 0.25 0.70 0.00 0.00 175.22 177.84 2kkz n THR 151 N 2.52 0.00 0.33 0.64 -2.24 -0.35 -0.53 114.28 114.64 2kkz n THR 151 Ca -0.18 -0.79 0.21 0.00 -2.27 0.00 0.00 64.05 61.02 2kkz n THR 151 Cb 0.53 -1.40 1.11 0.00 -2.10 0.00 0.00 70.33 68.48 2kkz n THR 151 CO 0.00 0.00 0.00 1.05 -0.57 0.00 0.00 175.07 175.55 2kkz h GLU 152 N 0.00 0.00 -0.01 -0.78 4.11 -0.72 -1.03 114.58 116.15 2kkz h GLU 152 Ca -0.43 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.00 2kkz h GLU 152 Cb 1.23 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.48 2kkz h GLU 152 CO 0.29 0.00 -0.07 0.39 0.07 0.00 0.00 179.01 179.69 2kkz n GLU 153 N -3.14 1.29 -1.09 1.06 1.02 -1.26 -4.94 120.64 113.59 2kkz n GLU 153 Ca -0.02 -0.68 -0.03 0.00 -0.02 0.00 0.00 57.16 56.41 2kkz n GLU 153 Cb 0.11 -1.49 -0.01 0.00 -0.02 0.00 0.00 31.44 30.03 2kkz n GLU 153 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2kkz n GLY 154 N 1.21 0.60 3.68 0.62 0.00 -0.39 -5.01 105.19 105.91 2kkz n GLY 154 Ca 0.17 -0.40 -0.41 0.00 0.00 0.00 0.00 46.02 45.39 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 -1.97 3.48 -0.70 4.61 0.00 -1.26 -4.67 121.76 121.25 2kkz s ALA 155 Ca 0.00 -0.02 -0.27 0.00 0.00 0.00 0.00 51.96 51.67 2kkz s ALA 155 Cb 0.00 -3.11 0.02 0.00 0.00 0.00 0.00 23.12 20.04 2kkz s ALA 155 CO 0.00 -0.51 1.33 0.42 0.00 0.00 0.00 175.76 177.01 2kkz s ILE 156 N 1.79 3.72 -2.17 0.00 1.01 -1.26 -1.21 121.20 123.08 2kkz s ILE 156 Ca 0.36 0.46 0.18 0.00 0.00 0.00 0.00 60.65 61.65 2kkz s ILE 156 Cb -0.17 -4.78 0.13 0.00 0.01 0.00 0.00 42.46 37.66 2kkz s ILE 156 CO 0.13 -1.67 1.05 1.33 0.00 0.00 0.00 174.94 175.78 2kkz n VAL 157 N 6.52 0.00 -3.71 2.92 0.24 -0.19 -4.64 118.33 119.47 2kkz n VAL 157 Ca 0.06 -0.49 -0.07 0.00 -2.04 0.00 0.00 64.34 61.79 2kkz n VAL 157 Cb 0.49 1.36 -0.02 0.00 -1.47 0.00 0.00 33.84 34.21 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 -1.48 -0.27 -0.03 7.63 0.00 -1.22 -2.11 107.32 109.84 2kkz s GLY 158 Ca 0.20 0.12 -0.29 0.00 0.00 0.00 0.00 44.72 44.76 2kkz s GLY 158 CO 0.23 0.03 0.78 1.85 0.00 0.00 0.00 173.10 175.99 2kkz s GLU 159 N -3.59 0.94 -0.29 2.90 2.12 -1.13 -1.21 118.70 118.44 2kkz s GLU 159 Ca 0.09 0.01 0.00 0.00 0.36 0.00 0.00 54.97 55.43 2kkz s GLU 159 Cb -0.03 0.44 0.09 0.00 0.26 0.00 0.00 34.13 34.89 2kkz s GLU 159 CO 0.00 -0.34 0.05 0.42 -0.54 0.00 0.00 175.26 174.86 2kkz s ILE 160 N -1.93 1.22 -0.31 -3.70 1.01 -0.04 -0.82 121.20 116.62 2kkz s ILE 160 Ca -0.04 -1.45 -0.03 0.00 0.00 0.00 0.00 60.65 59.13 2kkz s ILE 160 Cb -0.00 -1.81 0.05 0.00 0.01 0.00 0.00 42.46 40.70 2kkz s ILE 160 CO 0.01 -0.51 0.04 -0.94 0.00 0.00 0.00 174.94 173.54 2kkz s SER 161 N 1.47 5.04 0.17 3.58 1.04 -0.81 -1.14 113.70 123.05 2kkz s SER 161 Ca 0.06 -1.22 -0.32 0.00 0.48 0.00 0.00 55.95 54.96 2kkz s SER 161 Cb -0.18 -1.77 -0.11 0.00 0.10 0.00 0.00 66.02 64.06 2kkz s SER 161 CO -0.17 -0.28 1.78 -2.16 0.98 0.00 0.00 173.24 173.39 2kkz s PRO 162 N 1.31 4.13 -0.01 4.02 0.04 -1.26 -1.27 135.00 141.96 2kkz s PRO 162 Ca -0.04 2.62 -0.30 0.00 0.04 0.00 0.00 61.00 63.32 2kkz s PRO 162 Cb -0.20 -3.31 -0.07 0.00 0.04 0.00 0.00 34.50 30.97 2kkz s PRO 162 CO 0.00 -0.80 1.78 -0.51 0.04 0.00 0.00 177.00 177.51 2kkz s LEU 163 N 1.89 4.37 0.88 -3.56 1.43 0.61 -4.93 118.68 119.37 2kkz s LEU 163 Ca 0.78 2.43 -0.11 0.00 -1.03 0.00 0.00 54.13 56.20 2kkz s LEU 163 Cb -0.48 -3.53 0.12 0.00 0.03 0.00 0.00 46.19 42.32 2kkz s LEU 163 CO 0.34 -0.97 1.10 -2.16 0.23 0.00 0.00 176.35 174.89 2kkz s PRO 164 N 4.09 1.33 -0.98 1.29 0.04 -1.26 -3.71 135.00 135.80 2kkz s PRO 164 Ca 0.79 1.18 0.00 0.00 0.04 0.00 0.00 61.00 63.01 2kkz s PRO 164 Cb -0.38 -1.79 0.00 0.00 0.04 0.00 0.00 34.50 32.37 2kkz s PRO 164 CO 0.34 -2.29 0.00 0.45 0.04 0.00 0.00 177.00 175.54 2kkz n SER 165 N -3.97 -4.10 -3.78 6.66 2.88 -1.26 -5.01 113.62 105.04 2kkz n SER 165 Ca 0.09 0.23 -0.30 0.00 -1.33 0.00 0.00 58.87 57.56 2kkz n SER 165 Cb 0.53 -2.42 -0.13 0.00 -0.75 0.00 0.00 64.21 61.44 2kkz n SER 165 CO 0.00 0.00 0.00 -0.36 -1.23 0.00 0.00 175.04 173.45 2kkz s PHE 166 N -2.34 2.33 0.26 0.66 0.08 -1.24 -4.98 117.98 112.75 2kkz s PHE 166 Ca 0.00 -2.62 0.28 0.00 0.12 0.00 0.00 56.93 54.71 2kkz s PHE 166 Cb 0.00 -2.15 1.29 0.00 -0.57 0.00 0.00 43.02 41.59 2kkz s PHE 166 CO 0.00 -0.77 1.98 -1.00 -0.10 0.00 0.00 175.22 175.32 2kkz h PRO 167 N 6.71 0.00 -5.78 0.24 0.13 -1.95 -3.40 132.00 127.95 2kkz h PRO 167 Ca -0.03 0.00 -0.35 0.00 -0.87 0.00 0.00 66.00 64.75 2kkz h PRO 167 Cb 0.92 0.00 -0.06 0.00 0.13 0.00 0.00 31.00 31.99 2kkz h PRO 167 CO 0.54 0.13 0.86 0.20 -0.23 0.00 0.00 178.00 179.50 2kkz s GLY 168 N -4.22 0.35 -0.19 1.56 0.00 -1.26 -4.88 107.32 98.68 2kkz s GLY 168 Ca -0.01 -1.61 -0.08 0.00 0.00 0.00 0.00 44.72 43.02 2kkz s GLY 168 CO 0.59 3.36 0.42 -1.58 0.00 0.00 0.00 173.10 175.89 2kkz s HIS 169 N 9.25 -0.70 0.35 1.90 5.04 -1.26 -4.75 115.29 125.12 2kkz s HIS 169 Ca 0.66 1.42 0.04 0.00 -1.54 0.00 0.00 55.06 55.64 2kkz s HIS 169 Cb -0.06 0.29 -0.06 0.00 0.04 0.00 0.00 32.58 32.80 2kkz s HIS 169 CO -0.02 -0.41 0.06 0.95 -2.34 0.00 0.00 174.74 172.98 2kkz s THR 170 N 1.95 1.24 0.37 0.89 -4.23 -1.26 -4.77 115.64 109.83 2kkz s THR 170 Ca -0.06 -2.00 0.14 0.00 -1.18 0.00 0.00 61.69 58.59 2kkz s THR 170 Cb -0.10 -2.76 0.36 0.00 1.34 0.00 0.00 72.50 71.34 2kkz s THR 170 CO -0.13 0.00 1.80 -0.29 -0.54 0.00 0.00 174.62 175.46 2kkz h ILE 171 N 2.01 0.63 -0.30 2.99 2.10 -1.68 -2.59 117.51 120.67 2kkz h ILE 171 Ca -0.41 -0.18 0.07 0.00 1.08 0.00 0.00 64.86 65.42 2kkz h ILE 171 Cb 1.25 0.06 -0.07 0.00 -1.09 0.00 0.00 36.82 36.98 2kkz h ILE 171 CO 0.70 0.10 -0.15 -0.33 -1.08 0.00 0.00 178.15 177.38 2kkz h GLU 172 N 0.52 -0.10 -0.90 2.19 5.08 -1.92 -1.68 114.58 117.77 2kkz h GLU 172 Ca 0.55 0.01 0.02 0.00 -1.00 0.00 0.00 59.36 58.94 2kkz h GLU 172 Cb 1.19 0.02 -0.05 0.00 0.50 0.00 0.00 28.75 30.42 2kkz h GLU 172 CO -0.29 -0.07 0.59 -0.44 -1.00 0.00 0.00 179.01 177.80 2kkz h ASP 173 N -0.11 1.00 -0.70 1.42 3.32 -1.87 -2.36 116.42 117.12 2kkz h ASP 173 Ca 0.16 -0.02 -0.06 0.00 0.02 0.00 0.00 57.03 57.13 2kkz h ASP 173 Cb 0.35 -0.24 -0.03 0.00 0.22 0.00 0.00 39.33 39.63 2kkz h ASP 173 CO -0.37 0.71 0.21 0.58 -1.72 0.00 0.00 179.24 178.65 2kkz h VAL 174 N 1.18 1.26 -0.68 -1.35 2.07 -1.39 -1.31 116.25 116.03 2kkz h VAL 174 Ca 0.35 -0.89 -0.01 0.00 0.82 0.00 0.00 66.70 66.96 2kkz h VAL 174 Cb -0.07 0.51 -0.03 0.00 -1.52 0.00 0.00 31.29 30.18 2kkz h VAL 174 CO -0.10 0.35 0.37 0.11 0.02 0.00 0.00 177.57 178.32 2kkz h LYS 175 N 1.03 0.95 -0.40 1.57 1.57 -0.81 -0.99 116.57 119.48 2kkz h LYS 175 Ca 0.22 -0.11 -0.07 0.00 -1.87 0.00 0.00 60.65 58.82 2kkz h LYS 175 Cb 0.31 -0.18 -0.01 0.00 0.08 0.00 0.00 32.23 32.42 2kkz h LYS 175 CO -0.01 0.71 -0.04 -0.91 -0.57 0.00 0.00 179.45 178.64 2kkz h ASN 176 N 0.93 0.72 -0.47 0.86 4.21 -1.36 -2.71 115.58 117.76 2kkz h ASN 176 Ca 0.24 -0.33 -0.00 0.00 1.21 0.00 0.00 56.30 57.42 2kkz h ASN 176 Cb 0.05 -0.19 -0.02 0.00 -1.12 0.00 0.00 38.32 37.03 2kkz h ASN 176 CO -0.04 0.88 0.28 0.00 -1.29 0.00 0.00 177.43 177.26 2kkz h ALA 177 N 0.87 0.60 -0.12 -0.83 0.00 -0.72 -0.44 119.26 118.62 2kkz h ALA 177 Ca 0.11 -0.06 -0.11 0.00 0.00 0.00 0.00 54.91 54.84 2kkz h ALA 177 Cb 0.53 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.12 2kkz h ALA 177 CO 0.03 0.09 -0.43 0.82 0.00 0.00 0.00 179.25 179.76 2kkz h ILE 178 N 0.62 1.32 -0.05 0.00 2.04 -1.26 -2.00 117.51 118.18 2kkz h ILE 178 Ca 0.17 -1.57 -0.04 0.00 1.00 0.00 0.00 64.86 64.42 2kkz h ILE 178 Cb -0.00 1.70 -0.01 0.00 -0.74 0.00 0.00 36.82 37.77 2kkz h ILE 178 CO -0.03 0.47 -0.17 1.23 0.00 0.00 0.00 178.15 179.65 2kkz h GLY 179 N 1.22 0.08 0.26 5.37 0.00 -1.00 -1.04 103.07 107.97 2kkz h GLY 179 Ca 0.02 -0.05 -0.00 0.00 0.00 0.00 0.00 47.33 47.30 2kkz h GLY 179 CO 0.07 0.04 -0.01 -2.08 0.00 0.00 0.00 176.54 174.56 2kkz h VAL 180 N 0.07 1.42 -0.21 4.60 2.07 -0.74 -2.83 116.25 120.63 2kkz h VAL 180 Ca 0.01 -1.64 0.05 0.00 0.82 0.00 0.00 66.70 65.95 2kkz h VAL 180 Cb 0.35 2.48 -0.05 0.00 -1.52 0.00 0.00 31.29 32.54 2kkz h VAL 180 CO 0.02 0.40 -0.12 0.25 0.02 0.00 0.00 177.57 178.14 2kkz h LEU 181 N -0.78 -0.40 -1.12 2.57 5.85 -1.27 -1.85 115.31 118.30 2kkz h LEU 181 Ca -0.00 0.09 -0.03 0.00 0.84 0.00 0.00 57.88 58.78 2kkz h LEU 181 Cb 0.69 0.22 -0.03 0.00 0.37 0.00 0.00 40.66 41.91 2kkz h LEU 181 CO 0.01 -0.16 0.27 -0.29 -0.34 0.00 0.00 178.44 177.93 2kkz h ILE 182 N -0.11 1.21 -0.65 4.05 2.10 -1.33 -2.65 117.51 120.13 2kkz h ILE 182 Ca 0.12 -0.63 -0.02 0.00 1.08 0.00 0.00 64.86 65.41 2kkz h ILE 182 Cb 0.29 0.44 -0.03 0.00 -1.09 0.00 0.00 36.82 36.43 2kkz h ILE 182 CO -0.28 0.26 0.32 1.23 -1.08 0.00 0.00 178.15 178.60 2kkz h GLY 183 N 0.98 1.00 1.46 8.18 0.00 -1.09 0.11 103.07 113.71 2kkz h GLY 183 Ca 0.21 -0.48 -0.08 0.00 0.00 0.00 0.00 47.33 46.98 2kkz h GLY 183 CO -0.02 0.46 -0.11 -1.33 0.00 0.00 0.00 176.54 175.54 2kkz h GLY 184 N 0.90 0.69 0.99 4.60 0.00 -1.24 -2.44 103.07 106.57 2kkz h GLY 184 Ca 0.22 -0.50 -0.11 0.00 0.00 0.00 0.00 47.33 46.95 2kkz h GLY 184 CO -0.03 0.46 -0.18 1.41 0.00 0.00 0.00 176.54 178.20 2kkz h LEU 185 N 0.59 0.80 -0.63 3.11 3.38 -1.07 -2.73 115.31 118.76 2kkz h LEU 185 Ca 0.10 -0.40 -0.12 0.00 0.09 0.00 0.00 57.88 57.55 2kkz h LEU 185 Cb 0.54 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 41.05 2kkz h LEU 185 CO 0.03 1.03 -0.20 -0.33 0.09 0.00 0.00 178.44 179.06 2kkz h GLU 186 N 0.57 0.87 0.00 1.13 5.08 -0.68 -2.51 114.58 119.04 2kkz h GLU 186 Ca 0.08 -0.35 -0.06 0.00 -1.00 0.00 0.00 59.36 58.03 2kkz h GLU 186 Cb 0.73 -0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.92 2kkz h GLU 186 CO 0.05 0.99 -0.30 0.07 -1.00 0.00 0.00 179.01 178.82 2kkz h ARG 187 N 0.76 0.00 0.00 2.33 -0.00 -1.49 -1.72 114.38 114.26 2kkz h ARG 187 Ca 0.11 0.00 0.00 0.00 -0.00 0.00 0.00 59.98 60.09 2kkz h ARG 187 Cb 0.73 0.00 0.00 0.00 -0.00 0.00 0.00 29.97 30.70 2kkz h ARG 187 CO 0.06 0.30 0.00 -0.91 -0.00 0.00 0.00 179.97 179.42 2kkz h ASN 188 N 0.00 0.00 -4.70 0.08 2.35 -1.13 -3.48 115.58 108.71 2kkz h ASN 188 Ca -0.00 0.00 -0.08 0.00 -0.55 0.00 0.00 56.30 55.67 2kkz h ASN 188 Cb 0.94 0.00 0.06 0.00 0.05 0.00 0.00 38.32 39.37 2kkz h ASN 188 CO 0.04 0.00 -0.26 -0.67 -1.65 0.00 0.00 177.43 174.89 2kkz n ASP 189 N -2.91 -5.75 -4.37 5.81 2.03 -0.65 -4.34 116.55 106.37 2kkz n ASP 189 Ca 0.00 -0.24 -0.19 0.00 0.52 0.00 0.00 54.79 54.88 2kkz n ASP 189 Cb 0.26 -3.95 -0.10 0.00 -0.72 0.00 0.00 41.12 36.61 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 -2.95 1.81 -0.36 1.67 2.20 -1.20 -1.32 114.94 114.79 2kkz s ASN 190 Ca 0.14 -1.35 -0.26 0.00 -0.94 0.00 0.00 52.86 50.46 2kkz s ASN 190 Cb -0.02 0.03 0.01 0.00 -2.00 0.00 0.00 41.25 39.27 2kkz s ASN 190 CO 0.53 -0.64 0.92 -0.89 -2.94 0.00 0.00 177.10 174.08 2kkz s THR 191 N -3.50 4.61 -0.11 0.54 2.01 -0.24 -4.73 115.64 114.21 2kkz s THR 191 Ca 0.35 1.21 -0.11 0.00 0.31 0.00 0.00 61.69 63.46 2kkz s THR 191 Cb 0.08 -4.32 -0.05 0.00 0.01 0.00 0.00 72.50 68.22 2kkz s THR 191 CO 0.13 -0.50 0.24 0.68 -0.69 0.00 0.00 174.62 174.48 2kkz s VAL 192 N 3.42 5.34 -0.09 3.82 -7.23 -1.26 -1.05 120.40 123.35 2kkz s VAL 192 Ca 0.38 0.44 -0.04 0.00 -1.81 0.00 0.00 61.98 60.94 2kkz s VAL 192 Cb -0.12 -3.54 0.04 0.00 0.56 0.00 0.00 36.38 33.33 2kkz s VAL 192 CO 0.18 0.53 0.20 -0.60 -0.31 0.00 0.00 175.10 175.10 2kkz s ARG 193 N -0.51 0.14 0.08 4.82 3.52 -0.12 -4.93 118.95 121.95 2kkz s ARG 193 Ca 0.16 0.49 0.02 0.00 -0.13 0.00 0.00 55.73 56.27 2kkz s ARG 193 Cb -0.13 -0.15 -0.04 0.00 -1.56 0.00 0.00 34.95 33.07 2kkz s ARG 193 CO 0.05 -0.19 0.14 0.08 -0.81 0.00 0.00 175.30 174.58 2kkz s VAL 194 N 1.44 4.90 0.40 7.11 1.01 -1.26 -1.12 120.40 132.88 2kkz s VAL 194 Ca -0.07 -0.64 -0.27 0.00 0.00 0.00 0.00 61.98 61.00 2kkz s VAL 194 Cb -0.11 -3.39 -0.10 0.00 0.00 0.00 0.00 36.38 32.78 2kkz s VAL 194 CO -0.07 0.11 1.45 -0.55 0.00 0.00 0.00 175.10 176.04 2kkz s SER 195 N -2.53 6.19 0.55 3.32 0.15 -0.10 -4.79 113.70 116.50 2kkz s SER 195 Ca 0.32 2.98 0.24 0.00 0.70 0.00 0.00 55.95 60.19 2kkz s SER 195 Cb -0.12 -2.66 1.49 0.00 -1.71 0.00 0.00 66.02 63.02 2kkz s SER 195 CO 0.25 -0.97 2.12 0.07 1.20 0.00 0.00 173.24 175.90 2kkz h LYS 196 N 2.76 0.00 -0.15 5.44 -0.00 -1.98 0.37 116.57 123.01 2kkz h LYS 196 Ca -0.51 0.00 -0.09 0.00 -0.00 0.00 0.00 60.65 60.06 2kkz h LYS 196 Cb 1.25 0.00 -0.00 0.00 -0.00 0.00 0.00 32.23 33.48 2kkz h LYS 196 CO 0.63 0.00 -0.24 1.79 -0.00 0.00 0.00 179.45 181.63 2kkz h THR 197 N 0.00 1.36 -0.68 0.07 1.35 -1.97 -2.70 112.91 110.33 2kkz h THR 197 Ca 0.08 -1.48 -0.08 0.00 -0.55 0.00 0.00 66.41 64.38 2kkz h THR 197 Cb 0.37 1.96 -0.03 0.00 -1.73 0.00 0.00 68.15 68.72 2kkz h THR 197 CO -0.00 0.44 0.12 -0.07 -0.25 0.00 0.00 175.52 175.76 2kkz h LEU 198 N 0.05 1.08 -1.86 3.87 3.38 -1.60 -0.22 115.31 120.00 2kkz h LEU 198 Ca 0.01 -0.26 0.00 0.00 0.09 0.00 0.00 57.88 57.73 2kkz h LEU 198 Cb 0.82 -0.29 -0.01 0.00 0.09 0.00 0.00 40.66 41.28 2kkz h LEU 198 CO 0.06 1.06 0.09 1.56 0.09 0.00 0.00 178.44 181.29 2kkz h GLN 199 N 1.06 0.18 0.00 1.13 4.20 -0.97 0.12 115.11 120.83 2kkz h GLN 199 Ca 0.21 -0.01 0.00 0.00 0.06 0.00 0.00 58.65 58.91 2kkz h GLN 199 Cb 0.44 -0.04 0.00 0.00 0.30 0.00 0.00 27.48 28.18 2kkz h GLN 199 CO 0.01 0.12 -0.17 -0.09 -0.67 0.00 0.00 178.83 178.03 2kkz h ARG 200 N 0.18 0.00 -0.08 1.46 1.12 -1.21 -1.78 114.38 114.07 2kkz h ARG 200 Ca 0.05 0.00 -0.06 0.00 -1.11 0.00 0.00 59.98 58.86 2kkz h ARG 200 Cb -0.02 0.00 0.00 0.00 -0.01 0.00 0.00 29.97 29.94 2kkz h ARG 200 CO -0.01 0.00 -0.16 0.74 -3.11 0.00 0.00 179.97 177.43 2kkz h PHE 201 N -0.90 0.32 0.00 2.20 0.04 -0.99 -3.31 116.94 114.31 2kkz h PHE 201 Ca 0.00 -0.12 -0.05 0.00 2.80 0.00 0.00 57.97 60.61 2kkz h PHE 201 Cb 0.17 -0.06 -0.01 0.00 2.20 0.00 0.00 35.95 38.26 2kkz h PHE 201 CO -0.07 0.77 -0.78 0.00 -0.60 0.00 0.00 178.31 177.62 2kkz n ALA 202 N -2.44 1.89 0.27 2.45 0.00 -0.54 -4.28 120.51 117.86 2kkz n ALA 202 Ca -0.08 -0.47 0.12 0.00 0.00 0.00 0.00 53.44 53.02 2kkz n ALA 202 Cb 0.39 0.16 0.77 0.00 0.00 0.00 0.00 19.45 20.77 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 -0.54 0.00 0.00 0.00 2.91 -1.00 -3.35 115.95 113.98 2kkz h TRP 203 Ca -0.07 0.00 0.00 0.00 1.13 0.00 0.00 58.89 59.95 2kkz h TRP 203 Cb 0.68 0.00 0.00 0.00 -0.51 0.00 0.00 29.16 29.33 2kkz h TRP 203 CO -0.20 0.08 0.00 0.41 -1.03 0.00 0.00 178.44 177.70 2kkz n GLY 204 N -0.99 -0.25 3.57 2.65 0.00 -0.67 -4.86 105.19 104.63 2kkz n GLY 204 Ca -0.02 -0.08 -0.27 0.00 0.00 0.00 0.00 46.02 45.66 2kkz n GLY 204 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2kkz n SER 205 N 0.00 -4.45 -4.57 1.61 2.88 -1.26 -4.86 113.62 102.97 2kkz n SER 205 Ca 0.00 -0.55 -0.35 0.00 -1.33 0.00 0.00 58.87 56.64 2kkz n SER 205 Cb 0.00 -3.61 -0.03 0.00 -0.75 0.00 0.00 64.21 59.81 2kkz n SER 205 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 2kkz s SER 206 N -2.96 5.89 0.00 -3.46 0.01 -1.26 -4.89 113.70 107.04 2kkz s SER 206 Ca 0.51 -1.75 -0.05 0.00 1.31 0.00 0.00 55.95 55.96 2kkz s SER 206 Cb -0.26 -2.58 -0.00 0.00 0.21 0.00 0.00 66.02 63.39 2kkz s SER 206 CO 0.62 -2.13 0.10 0.54 0.41 0.00 0.00 173.24 172.78 2kkz s ASN 207 N 5.71 0.07 0.32 2.44 4.22 -1.26 -5.18 114.94 121.26 2kkz s ASN 207 Ca 0.60 -0.24 0.09 0.00 -2.14 0.00 0.00 52.86 51.17 2kkz s ASN 207 Cb 0.00 0.18 -0.05 0.00 1.28 0.00 0.00 41.25 42.66 2kkz s ASN 207 CO 0.06 -0.33 -0.00 -1.61 -2.04 0.00 0.00 177.10 173.18 2kkz s GLU 208 N -1.29 2.11 -0.36 3.55 2.02 -1.26 -5.11 118.70 118.36 2kkz s GLU 208 Ca -0.14 -1.66 -0.26 0.00 0.02 0.00 0.00 54.97 52.93 2kkz s GLU 208 Cb -0.08 -1.98 0.01 0.00 0.10 0.00 0.00 34.13 32.18 2kkz s GLU 208 CO 0.01 0.21 0.94 -0.80 0.02 0.00 0.00 175.26 175.64 2kkz s ASN 209 N -3.70 6.72 -0.23 -0.19 0.02 -1.26 -5.02 114.94 111.29 2kkz s ASN 209 Ca 0.34 0.67 -0.29 0.00 -1.02 0.00 0.00 52.86 52.55 2kkz s ASN 209 Cb -0.02 -2.47 -0.02 0.00 0.02 0.00 0.00 41.25 38.75 2kkz s ASN 209 CO 0.19 -0.85 1.60 -0.83 0.02 0.00 0.00 177.10 177.23 2kkz s GLY 210 N 1.83 1.23 0.23 0.66 0.00 -1.26 -4.75 107.32 105.26 2kkz s GLY 210 Ca 0.39 0.44 0.00 0.00 0.00 0.00 0.00 44.72 45.55 2kkz s GLY 210 CO 0.18 2.98 0.00 0.54 0.00 0.00 0.00 173.10 176.80 2kkz n ARG 211 N 7.64 -1.35 -1.70 2.90 1.74 -1.26 -4.96 116.66 119.66 2kkz n ARG 211 Ca 0.19 1.09 -0.37 0.00 -0.77 0.00 0.00 57.85 57.98 2kkz n ARG 211 Cb 0.45 -1.48 0.06 0.00 -1.02 0.00 0.00 32.46 30.48 2kkz n ARG 211 CO 0.00 0.00 0.00 -0.35 -1.52 0.00 0.00 177.63 175.76 2kkz n PRO 212 N -2.55 1.11 -1.57 5.56 -0.04 -1.26 -4.89 135.00 131.36 2kkz n PRO 212 Ca -0.02 0.43 -0.40 0.00 -0.04 0.00 0.00 63.50 63.47 2kkz n PRO 212 Cb 0.23 -2.45 -0.03 0.00 -0.04 0.00 0.00 33.50 31.21 2kkz n PRO 212 CO 0.00 0.00 0.00 -0.35 -0.04 0.00 0.00 175.50 175.11 2kkz n PRO 213 N -1.63 1.42 -2.14 0.54 -0.04 -1.26 -4.89 135.00 127.01 2kkz n PRO 213 Ca 0.15 0.24 -0.30 0.00 -0.04 0.00 0.00 63.50 63.55 2kkz n PRO 213 Cb 0.48 -3.30 -0.05 0.00 -0.04 0.00 0.00 33.50 30.59 2kkz n PRO 213 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 2kkz s LEU 214 N 10.35 3.23 0.59 1.53 1.43 -1.26 -4.96 118.68 129.59 2kkz s LEU 214 Ca 1.00 -0.75 -0.00 0.00 -1.03 0.00 0.00 54.13 53.35 2kkz s LEU 214 Cb -0.28 -2.56 0.05 0.00 0.03 0.00 0.00 46.19 43.42 2kkz s LEU 214 CO 0.31 -2.51 0.83 0.42 0.23 0.00 0.00 176.35 175.64 2kkz s THR 215 N 9.13 2.55 -0.32 5.49 -4.23 -1.26 -5.01 115.64 122.00 2kkz s THR 215 Ca 0.66 -0.59 -0.29 0.00 -1.18 0.00 0.00 61.69 60.29 2kkz s THR 215 Cb -0.06 -2.97 -0.02 0.00 1.34 0.00 0.00 72.50 70.80 2kkz s THR 215 CO -0.01 0.00 1.70 -0.76 -0.54 0.00 0.00 174.62 175.01 2kkz s LEU 216 N -4.88 3.60 0.00 4.79 1.02 -1.26 -5.30 118.68 116.66 2kkz s LEU 216 Ca 0.59 1.31 0.32 0.00 0.02 0.00 0.00 54.13 56.37 2kkz s LEU 216 Cb -0.10 -3.53 1.91 0.00 0.02 0.00 0.00 46.19 44.49 2kkz s LEU 216 CO 0.40 -1.57 2.23 -0.62 0.02 0.00 0.00 176.35 176.81