#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 4.33 -0.03 0.03 0.04 -1.26 -4.98 135.00 133.13 2kkz s PRO 85 Ca 0.00 2.05 -0.00 0.00 0.04 0.00 0.00 61.00 63.08 2kkz s PRO 85 Cb 0.00 -3.27 0.03 0.00 0.04 0.00 0.00 34.50 31.30 2kkz s PRO 85 CO 0.00 -0.43 0.03 0.00 0.04 0.00 0.00 177.00 176.64 2kkz s ALA 86 N 1.17 0.21 -0.57 8.56 0.00 -1.26 -4.92 121.76 124.95 2kkz s ALA 86 Ca 0.64 0.22 -0.26 0.00 0.00 0.00 0.00 51.96 52.56 2kkz s ALA 86 Cb -0.36 -0.38 -0.04 0.00 0.00 0.00 0.00 23.12 22.34 2kkz s ALA 86 CO 0.30 -0.20 2.04 0.45 0.00 0.00 0.00 175.76 178.35 2kkz s SER 87 N 1.36 4.99 -0.15 0.00 0.15 -1.23 -4.46 113.70 114.36 2kkz s SER 87 Ca -0.05 0.58 -0.03 0.00 0.70 0.00 0.00 55.95 57.15 2kkz s SER 87 Cb -0.13 -2.52 -0.03 0.00 -1.71 0.00 0.00 66.02 61.64 2kkz s SER 87 CO -0.03 -2.55 -0.05 -0.60 1.20 0.00 0.00 173.24 171.21 2kkz s ARG 88 N 7.45 3.60 -0.68 5.44 3.52 -0.65 -4.82 118.95 132.81 2kkz s ARG 88 Ca 0.77 -0.54 -0.20 0.00 -0.13 0.00 0.00 55.73 55.64 2kkz s ARG 88 Cb -0.14 -2.86 0.11 0.00 -1.56 0.00 0.00 34.95 30.49 2kkz s ARG 88 CO 0.22 0.26 0.85 0.71 -0.81 0.00 0.00 175.30 176.53 2kkz s TYR 89 N 0.30 2.97 -0.18 5.12 1.51 -1.26 -0.27 117.35 125.54 2kkz s TYR 89 Ca -0.04 -0.98 -0.28 0.00 -1.01 0.00 0.00 57.07 54.76 2kkz s TYR 89 Cb -0.14 -4.13 -0.01 0.00 -0.11 0.00 0.00 41.96 37.58 2kkz s TYR 89 CO 0.03 -1.41 0.95 0.42 -1.11 0.00 0.00 175.55 174.43 2kkz s ILE 90 N 2.91 4.79 -0.42 2.71 -1.09 0.14 -4.90 121.20 125.33 2kkz s ILE 90 Ca 0.18 1.87 0.01 0.00 -2.23 0.00 0.00 60.65 60.48 2kkz s ILE 90 Cb -0.18 -4.24 0.11 0.00 -1.58 0.00 0.00 42.46 36.57 2kkz s ILE 90 CO 0.04 -0.05 0.17 0.42 -1.23 0.00 0.00 174.94 174.28 2kkz s THR 91 N 2.50 2.78 0.01 2.92 -4.23 -1.26 -1.75 115.64 116.61 2kkz s THR 91 Ca 0.43 -2.49 0.11 0.00 -1.18 0.00 0.00 61.69 58.56 2kkz s THR 91 Cb -0.16 -2.95 -0.07 0.00 1.34 0.00 0.00 72.50 70.65 2kkz s THR 91 CO 0.11 -0.69 1.38 0.44 -0.54 0.00 0.00 174.62 175.33 2kkz h ASP 92 N 7.50 0.00 -4.42 3.99 3.32 -1.71 -3.46 116.42 121.64 2kkz h ASP 92 Ca -0.07 0.00 -0.70 0.00 0.02 0.00 0.00 57.03 56.28 2kkz h ASP 92 Cb 1.00 0.00 -0.28 0.00 0.22 0.00 0.00 39.33 40.27 2kkz h ASP 92 CO 0.62 0.75 -0.87 0.00 -1.72 0.00 0.00 179.24 178.02 2kkz s MET 93 N -2.89 2.08 0.80 3.56 0.23 -1.26 -4.89 119.30 116.92 2kkz s MET 93 Ca 0.02 -0.95 -0.10 0.00 -1.03 0.00 0.00 55.69 53.63 2kkz s MET 93 Cb 0.09 -2.08 0.07 0.00 -1.53 0.00 0.00 34.83 31.39 2kkz s MET 93 CO 0.78 0.55 1.10 0.99 -2.03 0.00 0.00 175.02 176.41 2kkz s THR 94 N -0.70 3.15 0.43 3.16 2.01 -1.26 -4.80 115.64 117.63 2kkz s THR 94 Ca 0.11 0.37 0.11 0.00 0.31 0.00 0.00 61.69 62.59 2kkz s THR 94 Cb -0.10 -2.80 0.21 0.00 0.01 0.00 0.00 72.50 69.81 2kkz s THR 94 CO 0.00 -0.49 2.00 0.40 -0.69 0.00 0.00 174.62 175.85 2kkz h ILE 95 N -1.24 1.12 0.42 1.82 2.04 -2.00 0.18 117.51 119.85 2kkz h ILE 95 Ca -0.44 -0.48 -0.02 0.00 1.00 0.00 0.00 64.86 64.93 2kkz h ILE 95 Cb 1.24 1.03 0.00 0.00 -0.74 0.00 0.00 36.82 38.35 2kkz h ILE 95 CO 0.50 0.16 -0.20 -0.33 0.00 0.00 0.00 178.15 178.28 2kkz h GLU 96 N 0.22 -0.54 0.00 2.37 5.08 -1.95 -2.45 114.58 117.31 2kkz h GLU 96 Ca 0.05 0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.45 2kkz h GLU 96 Cb 0.20 0.12 0.00 0.00 0.50 0.00 0.00 28.75 29.57 2kkz h GLU 96 CO 0.01 -0.35 0.00 1.05 -1.00 0.00 0.00 179.01 178.71 2kkz h GLU 97 N -0.57 0.00 -0.63 2.33 4.11 -1.89 -0.69 114.58 117.24 2kkz h GLU 97 Ca -0.06 0.00 0.01 0.00 0.07 0.00 0.00 59.36 59.38 2kkz h GLU 97 Cb 0.44 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.65 2kkz h GLU 97 CO 0.09 0.00 0.42 1.25 0.07 0.00 0.00 179.01 180.84 2kkz h LEU 98 N 0.00 0.72 -3.45 3.06 6.46 -0.90 -3.12 115.31 118.09 2kkz h LEU 98 Ca 0.00 -0.02 -0.04 0.00 -0.12 0.00 0.00 57.88 57.70 2kkz h LEU 98 Cb 0.79 -0.18 -0.02 0.00 -0.73 0.00 0.00 40.66 40.51 2kkz h LEU 98 CO 0.00 0.52 0.04 -0.24 -0.62 0.00 0.00 178.44 178.14 2kkz n SER 99 N -4.65 4.62 -4.73 1.25 2.88 -0.88 -5.01 113.62 107.10 2kkz n SER 99 Ca 0.05 -3.06 -0.42 0.00 -1.33 0.00 0.00 58.87 54.11 2kkz n SER 99 Cb 0.02 -0.63 -0.03 0.00 -0.75 0.00 0.00 64.21 62.82 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 -2.86 4.31 0.23 -1.46 6.06 -0.32 -5.00 118.95 119.92 2kkz s ARG 100 Ca 0.49 2.18 -0.30 0.00 -2.50 0.00 0.00 55.73 55.60 2kkz s ARG 100 Cb 0.39 -3.17 -0.09 0.00 0.06 0.00 0.00 34.95 32.14 2kkz s ARG 100 CO 0.12 -0.39 1.20 -0.51 -2.50 0.00 0.00 175.30 173.21 2kkz s ASP 101 N 0.61 7.08 0.22 -2.12 1.01 -1.26 -5.04 116.67 117.17 2kkz s ASP 101 Ca 0.61 2.32 -0.19 0.00 0.71 0.00 0.00 52.55 56.00 2kkz s ASP 101 Cb -0.39 -2.62 0.03 0.00 1.01 0.00 0.00 42.92 40.95 2kkz s ASP 101 CO 0.37 -0.34 0.60 -1.66 0.21 0.00 0.00 175.17 174.35 2kkz s TRP 102 N -0.48 -0.17 -0.02 4.23 1.48 -1.26 -4.94 118.94 117.78 2kkz s TRP 102 Ca 0.50 -0.19 -0.04 0.00 -1.06 0.00 0.00 56.10 55.31 2kkz s TRP 102 Cb -0.34 0.52 0.00 0.00 -1.16 0.00 0.00 33.47 32.49 2kkz s TRP 102 CO 0.40 -1.03 0.08 -0.59 -4.06 0.00 0.00 176.95 171.75 2kkz s PHE 103 N -3.88 -0.01 -0.56 1.66 -0.71 -1.26 -5.12 117.98 108.10 2kkz s PHE 103 Ca 0.10 0.03 -0.25 0.00 -1.04 0.00 0.00 56.93 55.77 2kkz s PHE 103 Cb -0.03 -0.02 0.04 0.00 -1.21 0.00 0.00 43.02 41.80 2kkz s PHE 103 CO 0.00 -0.13 0.98 -1.64 -1.34 0.00 0.00 175.22 173.09 2kkz s MET 104 N -0.54 3.34 0.31 1.99 -1.94 -1.26 -4.91 119.30 116.30 2kkz s MET 104 Ca -0.06 -0.22 0.01 0.00 -1.71 0.00 0.00 55.69 53.71 2kkz s MET 104 Cb -0.04 -4.06 0.51 0.00 2.01 0.00 0.00 34.83 33.26 2kkz s MET 104 CO 0.00 -1.53 1.90 1.25 -0.01 0.00 0.00 175.02 176.63 2kkz h LEU 105 N 11.14 0.71 -6.86 -0.03 5.85 -1.97 -3.34 115.31 120.81 2kkz h LEU 105 Ca -0.26 -0.09 -0.59 0.00 0.84 0.00 0.00 57.88 57.78 2kkz h LEU 105 Cb 1.07 -0.18 -0.40 0.00 0.37 0.00 0.00 40.66 41.52 2kkz h LEU 105 CO 1.11 0.65 -0.78 -0.04 -0.34 0.00 0.00 178.44 179.04 2kkz s MET 106 N -5.35 0.85 -0.24 1.25 -1.94 -1.26 -4.93 119.30 107.68 2kkz s MET 106 Ca -0.09 -1.49 -0.29 0.00 -1.71 0.00 0.00 55.69 52.10 2kkz s MET 106 Cb 0.16 -1.83 -0.03 0.00 2.01 0.00 0.00 34.83 35.14 2kkz s MET 106 CO 0.78 -1.14 1.78 -1.25 -0.01 0.00 0.00 175.02 175.18 2kkz s PRO 107 N 0.96 3.58 -0.25 2.03 0.04 -1.26 -1.75 135.00 138.35 2kkz s PRO 107 Ca 0.16 1.70 -0.06 0.00 0.04 0.00 0.00 61.00 62.84 2kkz s PRO 107 Cb -0.22 -4.14 -0.01 0.00 0.04 0.00 0.00 34.50 30.17 2kkz s PRO 107 CO -0.07 -1.56 0.02 0.21 0.04 0.00 0.00 177.00 175.65 2kkz s LYS 108 N 5.20 3.31 -0.31 4.56 2.47 -0.64 -4.96 119.74 129.37 2kkz s LYS 108 Ca 0.79 -0.69 -0.07 0.00 -1.56 0.00 0.00 55.97 54.44 2kkz s LYS 108 Cb -0.26 -3.21 0.02 0.00 -1.46 0.00 0.00 37.83 32.92 2kkz s LYS 108 CO 0.32 -0.29 0.11 -1.14 0.16 0.00 0.00 175.35 174.51 2kkz s GLN 109 N 1.51 2.99 -0.29 4.03 -0.44 -1.26 -1.98 119.66 124.22 2kkz s GLN 109 Ca 0.04 -0.93 0.01 0.00 -2.50 0.00 0.00 55.36 51.99 2kkz s GLN 109 Cb -0.16 -3.45 0.09 0.00 -1.64 0.00 0.00 33.01 27.85 2kkz s GLN 109 CO 0.00 -0.51 0.03 0.21 0.50 0.00 0.00 175.29 175.52 2kkz s LYS 110 N 1.50 1.27 0.22 1.67 2.47 -0.97 -5.04 119.74 120.86 2kkz s LYS 110 Ca 0.02 -1.32 -0.30 0.00 -1.56 0.00 0.00 55.97 52.82 2kkz s LYS 110 Cb -0.18 -2.60 -0.08 0.00 -1.46 0.00 0.00 37.83 33.51 2kkz s LYS 110 CO 0.03 -0.84 1.08 0.08 0.16 0.00 0.00 175.35 175.86 2kkz s VAL 111 N 1.30 3.75 -0.38 4.02 1.01 -1.26 -0.35 120.40 128.49 2kkz s VAL 111 Ca 0.05 1.62 0.01 0.00 0.00 0.00 0.00 61.98 63.66 2kkz s VAL 111 Cb -0.18 -4.04 0.13 0.00 0.00 0.00 0.00 36.38 32.29 2kkz s VAL 111 CO -0.13 0.33 0.19 -0.70 0.00 0.00 0.00 175.10 174.79 2kkz s GLU 112 N -0.87 0.90 7.64 2.72 2.56 -0.55 -4.88 118.70 126.21 2kkz s GLU 112 Ca 0.46 -1.52 0.00 0.00 0.00 0.00 0.00 54.97 53.92 2kkz s GLU 112 Cb -0.30 -1.94 0.00 0.00 2.00 0.00 0.00 34.13 33.89 2kkz s GLU 112 CO 0.37 -1.12 0.00 0.41 -0.56 0.00 0.00 175.26 174.36 2kkz n GLY 113 N 4.10 3.06 0.00 -1.50 0.00 -1.26 -2.09 105.19 107.50 2kkz n GLY 113 Ca 0.06 -0.19 0.08 0.00 0.00 0.00 0.00 46.02 45.97 2kkz n GLY 113 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 2kkz n PRO 114 N 13.58 0.60 -4.55 1.61 -0.02 -1.26 -4.81 135.00 140.16 2kkz n PRO 114 Ca 0.00 0.00 -0.26 0.00 -2.02 0.00 0.00 63.50 61.22 2kkz n PRO 114 Cb 0.00 -1.43 -0.09 0.00 -0.02 0.00 0.00 33.50 31.96 2kkz n PRO 114 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 2kkz s LEU 115 N -1.86 2.15 0.02 2.45 1.02 -0.89 -1.04 118.68 120.52 2kkz s LEU 115 Ca 0.25 -1.58 0.02 0.00 0.02 0.00 0.00 54.13 52.84 2kkz s LEU 115 Cb 0.11 -0.34 -0.02 0.00 0.02 0.00 0.00 46.19 45.97 2kkz s LEU 115 CO 0.19 -0.80 -0.06 0.00 0.02 0.00 0.00 176.35 175.70 2kkz s ILE 117 N -0.94 2.81 -0.12 0.00 -1.09 0.52 -2.03 121.20 120.36 2kkz s ILE 117 Ca -0.06 -1.33 0.03 0.00 -2.23 0.00 0.00 60.65 57.06 2kkz s ILE 117 Cb -0.07 -2.23 0.00 0.00 -1.58 0.00 0.00 42.46 38.58 2kkz s ILE 117 CO 0.00 0.23 -0.22 -0.13 -1.23 0.00 0.00 174.94 173.59 2kkz s ARG 118 N -1.76 3.06 -0.12 2.79 1.81 -0.04 -2.29 118.95 122.40 2kkz s ARG 118 Ca 0.16 -0.85 0.02 0.00 -1.72 0.00 0.00 55.73 53.34 2kkz s ARG 118 Cb -0.11 -2.40 0.01 0.00 -0.45 0.00 0.00 34.95 32.01 2kkz s ARG 118 CO 0.07 0.08 -0.18 0.42 -0.68 0.00 0.00 175.30 175.01 2kkz s ILE 119 N 0.60 1.76 -0.32 1.52 -1.09 -0.84 -3.33 121.20 119.50 2kkz s ILE 119 Ca -0.12 -0.80 -0.18 0.00 -2.23 0.00 0.00 60.65 57.32 2kkz s ILE 119 Cb -0.17 -1.57 -0.01 0.00 -1.58 0.00 0.00 42.46 39.13 2kkz s ILE 119 CO 0.03 0.49 0.50 -0.62 -1.23 0.00 0.00 174.94 174.11 2kkz s ASP 120 N 0.87 6.34 0.16 3.58 -1.08 -0.94 -1.62 116.67 123.99 2kkz s ASP 120 Ca -0.08 0.16 0.26 0.00 -0.52 0.00 0.00 52.55 52.38 2kkz s ASP 120 Cb -0.15 -2.27 0.92 0.00 -1.46 0.00 0.00 42.92 39.96 2kkz s ASP 120 CO -0.01 -0.40 1.79 0.00 0.52 0.00 0.00 175.17 177.08 2kkz n GLN 121 N 5.65 0.18 -0.07 4.34 6.02 -0.72 -3.61 117.38 129.18 2kkz n GLN 121 Ca -0.05 0.19 -0.17 0.00 -0.01 0.00 0.00 57.00 56.96 2kkz n GLN 121 Cb 0.49 -1.73 -0.13 0.00 1.02 0.00 0.00 30.24 29.90 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 2.61 0.07 -1.81 -1.58 0.00 -1.92 -3.45 119.26 113.18 2kkz h ALA 122 Ca 0.00 -0.73 -0.57 0.00 0.00 0.00 0.00 54.91 53.62 2kkz h ALA 122 Cb 0.62 0.22 -0.03 0.00 0.00 0.00 0.00 17.79 18.60 2kkz h ALA 122 CO 0.00 0.24 1.23 0.42 0.00 0.00 0.00 179.25 181.15 2kkz s ILE 123 N -2.28 3.57 0.11 0.00 1.09 -1.24 -4.96 121.20 117.50 2kkz s ILE 123 Ca -0.21 0.56 0.04 0.00 -1.10 0.00 0.00 60.65 59.93 2kkz s ILE 123 Cb -0.00 -3.82 -0.04 0.00 -1.06 0.00 0.00 42.46 37.54 2kkz s ILE 123 CO 0.68 -0.55 -0.10 -0.04 -0.10 0.00 0.00 174.94 174.82 2kkz s MET 124 N 5.63 0.93 -1.55 2.79 -1.94 -1.26 -4.88 119.30 119.02 2kkz s MET 124 Ca 0.74 -1.26 0.00 0.00 -1.71 0.00 0.00 55.69 53.46 2kkz s MET 124 Cb -0.19 -0.59 0.00 0.00 2.01 0.00 0.00 34.83 36.05 2kkz s MET 124 CO 0.32 0.09 0.00 -3.47 -0.01 0.00 0.00 175.02 171.95 2kkz n ASP 125 N 0.31 -5.17 -4.52 3.03 2.03 -0.25 -4.97 116.55 107.01 2kkz n ASP 125 Ca -0.14 0.03 -0.30 0.00 0.52 0.00 0.00 54.79 54.90 2kkz n ASP 125 Cb 0.59 -4.24 -0.11 0.00 -0.72 0.00 0.00 41.12 36.63 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 -4.75 1.93 -0.53 -0.67 -0.14 -1.26 -4.88 119.74 109.44 2kkz s LYS 126 Ca 0.00 -1.11 -0.26 0.00 -1.36 0.00 0.00 55.97 53.24 2kkz s LYS 126 Cb 0.00 -2.19 0.03 0.00 -1.68 0.00 0.00 37.83 33.99 2kkz s LYS 126 CO 0.00 0.50 1.03 -0.80 -0.76 0.00 0.00 175.35 175.32 2kkz s ASN 127 N -2.11 6.44 -0.19 2.83 0.01 -1.26 -0.99 114.94 119.67 2kkz s ASN 127 Ca 0.19 -0.03 -0.03 0.00 -0.71 0.00 0.00 52.86 52.29 2kkz s ASN 127 Cb -0.11 -2.49 -0.01 0.00 0.41 0.00 0.00 41.25 39.06 2kkz s ASN 127 CO 0.11 -1.27 -0.07 -0.63 -1.51 0.00 0.00 177.10 173.73 2kkz s ILE 128 N 4.26 3.30 -0.28 0.60 1.01 -0.30 0.13 121.20 129.92 2kkz s ILE 128 Ca 0.37 -0.54 -0.10 0.00 0.00 0.00 0.00 60.65 60.39 2kkz s ILE 128 Cb -0.10 -2.46 -0.04 0.00 0.01 0.00 0.00 42.46 39.87 2kkz s ILE 128 CO 0.24 0.46 0.15 -0.32 0.00 0.00 0.00 174.94 175.47 2kkz s MET 129 N 1.04 3.75 -0.51 2.79 -2.45 0.34 -1.82 119.30 122.45 2kkz s MET 129 Ca 0.00 -0.44 -0.18 0.00 -1.25 0.00 0.00 55.69 53.82 2kkz s MET 129 Cb -0.15 -3.54 0.07 0.00 1.25 0.00 0.00 34.83 32.46 2kkz s MET 129 CO -0.01 -0.23 0.59 -0.51 1.05 0.00 0.00 175.02 175.92 2kkz s LEU 130 N 1.69 5.12 0.03 4.11 1.43 -0.46 -1.66 118.68 128.95 2kkz s LEU 130 Ca 0.06 -1.03 0.06 0.00 -1.03 0.00 0.00 54.13 52.20 2kkz s LEU 130 Cb -0.16 -2.39 -0.03 0.00 0.03 0.00 0.00 46.19 43.64 2kkz s LEU 130 CO 0.08 -0.87 -0.16 -0.54 0.23 0.00 0.00 176.35 175.08 2kkz s LYS 131 N 2.47 2.15 0.05 1.70 1.02 -1.06 -1.42 119.74 124.65 2kkz s LYS 131 Ca 0.13 -0.94 0.00 0.00 0.02 0.00 0.00 55.97 55.18 2kkz s LYS 131 Cb -0.21 -2.23 -0.03 0.00 -0.52 0.00 0.00 37.83 34.84 2kkz s LYS 131 CO 0.10 0.55 -0.04 0.00 -0.92 0.00 0.00 175.35 175.04 2kkz s ALA 132 N -0.93 0.52 -0.22 5.17 0.00 -1.26 -1.64 121.76 123.40 2kkz s ALA 132 Ca 0.15 -1.04 -0.03 0.00 0.00 0.00 0.00 51.96 51.04 2kkz s ALA 132 Cb -0.11 0.20 0.00 0.00 0.00 0.00 0.00 23.12 23.21 2kkz s ALA 132 CO 0.05 -0.26 -0.07 -0.80 0.00 0.00 0.00 175.76 174.69 2kkz s ASN 133 N -2.45 4.11 0.09 0.00 0.01 -0.30 -1.67 114.94 114.74 2kkz s ASN 133 Ca 0.01 -0.49 -0.16 0.00 -0.71 0.00 0.00 52.86 51.50 2kkz s ASN 133 Cb 0.01 -1.69 0.03 0.00 0.41 0.00 0.00 41.25 40.02 2kkz s ASN 133 CO -0.06 -0.03 0.39 0.72 -1.51 0.00 0.00 177.10 176.61 2kkz s PHE 134 N 1.43 -0.21 0.38 2.20 -0.71 -0.72 -2.04 117.98 118.31 2kkz s PHE 134 Ca 0.05 -0.01 -0.06 0.00 -1.04 0.00 0.00 56.93 55.87 2kkz s PHE 134 Cb -0.14 0.23 -0.05 0.00 -1.21 0.00 0.00 43.02 41.84 2kkz s PHE 134 CO -0.05 -0.64 0.67 -1.54 -1.34 0.00 0.00 175.22 172.32 2kkz s SER 135 N -2.50 6.40 -0.06 1.98 1.04 -0.76 -0.69 113.70 119.12 2kkz s SER 135 Ca -0.00 0.84 0.01 0.00 0.48 0.00 0.00 55.95 57.29 2kkz s SER 135 Cb 0.01 -2.20 0.02 0.00 0.10 0.00 0.00 66.02 63.95 2kkz s SER 135 CO -0.08 -0.36 -0.08 -0.69 0.98 0.00 0.00 173.24 173.00 2kkz s VAL 136 N -2.36 0.84 -0.00 5.02 1.01 0.62 -1.11 120.40 124.42 2kkz s VAL 136 Ca 0.46 -0.30 0.03 0.00 0.00 0.00 0.00 61.98 62.17 2kkz s VAL 136 Cb -0.10 -0.82 -0.01 0.00 0.00 0.00 0.00 36.38 35.45 2kkz s VAL 136 CO 0.35 0.30 -0.08 -0.51 0.00 0.00 0.00 175.10 175.15 2kkz s ILE 137 N 0.87 0.65 -1.66 2.22 1.10 0.06 -1.63 121.20 122.80 2kkz s ILE 137 Ca -0.11 -0.37 0.00 0.00 -0.51 0.00 0.00 60.65 59.65 2kkz s ILE 137 Cb -0.15 -0.55 0.00 0.00 0.15 0.00 0.00 42.46 41.91 2kkz s ILE 137 CO 0.01 0.17 0.00 0.49 -2.11 0.00 0.00 174.94 173.50 2kkz n PHE 138 N 2.84 -0.49 -1.24 3.50 3.72 -1.26 -1.66 117.46 122.87 2kkz n PHE 138 Ca -0.13 0.00 -0.08 0.00 -0.05 0.00 0.00 57.45 57.18 2kkz n PHE 138 Cb 0.57 -3.31 -0.04 0.00 -0.94 0.00 0.00 39.48 35.77 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 -1.15 -4.89 -4.44 4.37 9.92 -1.26 -5.00 116.55 114.09 2kkz n ASP 139 Ca -0.20 0.21 -0.23 0.00 -0.53 0.00 0.00 54.79 54.04 2kkz n ASP 139 Cb 0.63 -3.13 -0.10 0.00 -0.64 0.00 0.00 41.12 37.87 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 -2.45 1.73 0.09 -1.24 1.70 -0.66 -4.69 118.95 113.44 2kkz s ARG 140 Ca 0.00 -1.98 -0.31 0.00 -0.47 0.00 0.00 55.73 52.97 2kkz s ARG 140 Cb 0.00 -0.93 -0.08 0.00 -0.57 0.00 0.00 34.95 33.37 2kkz s ARG 140 CO 0.00 -0.21 1.42 -1.17 -1.08 0.00 0.00 175.30 174.26 2kkz s LEU 141 N -3.54 4.36 -0.00 -1.89 0.20 -0.37 -0.76 118.68 116.68 2kkz s LEU 141 Ca 0.34 2.31 -0.00 0.00 0.69 0.00 0.00 54.13 57.47 2kkz s LEU 141 Cb 0.08 -3.58 -0.00 0.00 -0.43 0.00 0.00 46.19 42.26 2kkz s LEU 141 CO 0.15 -0.69 -0.00 -0.08 -0.29 0.00 0.00 176.35 175.44 2kkz h GLU 142 N 7.09 0.00 -3.00 1.98 4.81 -1.38 -3.38 114.58 120.71 2kkz h GLU 142 Ca -0.41 0.00 -0.16 0.00 -0.13 0.00 0.00 59.36 58.65 2kkz h GLU 142 Cb 1.20 0.00 -0.26 0.00 0.63 0.00 0.00 28.75 30.32 2kkz h GLU 142 CO 0.88 0.00 -0.40 0.99 -0.73 0.00 0.00 179.01 179.75 2kkz s THR 143 N -1.04 -0.01 -0.35 0.32 2.01 -1.23 -3.21 115.64 112.13 2kkz s THR 143 Ca -0.00 0.04 -0.27 0.00 0.31 0.00 0.00 61.69 61.77 2kkz s THR 143 Cb 0.00 -0.42 0.02 0.00 0.01 0.00 0.00 72.50 72.11 2kkz s THR 143 CO 0.00 0.02 0.98 -0.22 -0.69 0.00 0.00 174.62 174.71 2kkz s LEU 144 N 0.53 3.96 -0.08 4.42 2.96 -1.26 -1.83 118.68 127.39 2kkz s LEU 144 Ca -0.03 0.74 -0.26 0.00 -0.22 0.00 0.00 54.13 54.36 2kkz s LEU 144 Cb -0.05 -3.36 -0.22 0.00 0.50 0.00 0.00 46.19 43.07 2kkz s LEU 144 CO -0.03 -0.87 0.98 0.40 -1.32 0.00 0.00 176.35 175.51 2kkz h ILE 145 N 5.80 1.46 -1.95 6.68 5.03 -1.87 -3.41 117.51 129.25 2kkz h ILE 145 Ca -0.22 -1.63 -0.03 0.00 -0.12 0.00 0.00 64.86 62.85 2kkz h ILE 145 Cb 1.07 2.53 -0.21 0.00 -3.03 0.00 0.00 36.82 37.18 2kkz h ILE 145 CO 1.00 0.41 0.20 -0.22 -0.68 0.00 0.00 178.15 178.86 2kkz s LEU 146 N -8.77 -0.67 0.01 1.44 2.96 -0.87 -4.48 118.68 108.30 2kkz s LEU 146 Ca -0.16 1.07 0.02 0.00 -0.22 0.00 0.00 54.13 54.83 2kkz s LEU 146 Cb -0.00 2.42 -0.01 0.00 0.50 0.00 0.00 46.19 49.10 2kkz s LEU 146 CO 0.64 -0.39 -0.07 -0.22 -1.32 0.00 0.00 176.35 174.99 2kkz s LEU 147 N -0.33 2.07 -0.00 -0.68 0.20 -0.23 -1.14 118.68 118.56 2kkz s LEU 147 Ca -0.04 -0.22 0.00 0.00 0.69 0.00 0.00 54.13 54.56 2kkz s LEU 147 Cb -0.03 -0.30 0.00 0.00 -0.43 0.00 0.00 46.19 45.43 2kkz s LEU 147 CO 0.04 0.01 -0.01 -0.13 -0.29 0.00 0.00 176.35 175.97 2kkz s ARG 148 N -0.50 0.13 -0.56 1.98 0.52 -0.65 -1.02 118.95 118.85 2kkz s ARG 148 Ca -0.00 -0.05 -0.18 0.00 -0.52 0.00 0.00 55.73 54.98 2kkz s ARG 148 Cb -0.04 -0.14 0.11 0.00 0.52 0.00 0.00 34.95 35.40 2kkz s ARG 148 CO -0.00 0.03 0.60 0.00 0.02 0.00 0.00 175.30 175.94 2kkz s ALA 149 N 0.02 3.52 -0.22 2.13 0.00 -0.36 -2.55 121.76 124.30 2kkz s ALA 149 Ca 0.00 -2.32 -0.14 0.00 0.00 0.00 0.00 51.96 49.50 2kkz s ALA 149 Cb -0.01 -3.39 -0.04 0.00 0.00 0.00 0.00 23.12 19.68 2kkz s ALA 149 CO -0.00 -2.16 0.31 -0.06 0.00 0.00 0.00 175.76 173.85 2kkz s PHE 150 N 2.18 3.34 1.28 0.00 0.40 -0.66 -1.73 117.98 122.78 2kkz s PHE 150 Ca 0.08 0.45 -0.21 0.00 -0.60 0.00 0.00 56.93 56.65 2kkz s PHE 150 Cb -0.26 -2.44 0.32 0.00 0.51 0.00 0.00 43.02 41.15 2kkz s PHE 150 CO 0.05 -0.01 1.06 0.95 0.70 0.00 0.00 175.22 177.97 2kkz s THR 151 N 1.31 1.45 0.60 0.64 -4.23 -0.48 -0.50 115.64 114.42 2kkz s THR 151 Ca 0.14 0.00 0.38 0.00 -1.18 0.00 0.00 61.69 61.03 2kkz s THR 151 Cb -0.14 -2.37 0.40 0.00 1.34 0.00 0.00 72.50 71.72 2kkz s THR 151 CO 0.07 0.00 2.30 1.05 -0.54 0.00 0.00 174.62 177.50 2kkz h GLU 152 N -2.88 0.00 -0.01 3.99 4.11 -0.66 -0.13 114.58 119.00 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 1.30 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.55 2kkz h GLU 152 CO 0.30 0.01 -0.08 0.39 0.07 0.00 0.00 179.01 179.70 2kkz n GLU 153 N -3.39 1.51 -1.00 1.06 -0.58 -1.26 -4.94 120.64 112.04 2kkz n GLU 153 Ca -0.03 -0.94 0.00 0.00 -0.42 0.00 0.00 57.16 55.77 2kkz n GLU 153 Cb 0.10 -1.48 0.00 0.00 -0.57 0.00 0.00 31.44 29.49 2kkz n GLU 153 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2kkz n GLY 154 N 1.24 0.51 3.64 0.62 0.00 -0.06 -5.02 105.19 106.12 2kkz n GLY 154 Ca 0.17 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.78 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 -2.05 3.61 -0.16 4.61 0.00 -1.26 -4.61 121.76 121.90 2kkz s ALA 155 Ca 0.00 -0.25 -0.29 0.00 0.00 0.00 0.00 51.96 51.42 2kkz s ALA 155 Cb 0.00 -3.14 -0.01 0.00 0.00 0.00 0.00 23.12 19.97 2kkz s ALA 155 CO 0.00 -0.81 1.12 0.42 0.00 0.00 0.00 175.76 176.50 2kkz s ILE 156 N 2.53 4.52 0.00 0.00 1.01 -1.26 -1.38 121.20 126.62 2kkz s ILE 156 Ca 0.31 1.83 0.00 0.00 0.00 0.00 0.00 60.65 62.79 2kkz s ILE 156 Cb -0.16 -4.18 0.00 0.00 0.01 0.00 0.00 42.46 38.14 2kkz s ILE 156 CO 0.09 -0.10 0.71 1.33 0.00 0.00 0.00 174.94 176.96 2kkz n VAL 157 N 5.07 0.48 -3.57 2.92 0.24 -0.71 -4.64 118.33 118.14 2kkz n VAL 157 Ca 0.12 -0.65 -0.08 0.00 -2.04 0.00 0.00 64.34 61.68 2kkz n VAL 157 Cb 0.46 0.83 -0.02 0.00 -1.47 0.00 0.00 33.84 33.64 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 -0.48 -0.42 -0.17 7.63 0.00 -1.24 -2.20 107.32 110.43 2kkz s GLY 158 Ca 0.00 0.53 -0.28 0.00 0.00 0.00 0.00 44.72 44.97 2kkz s GLY 158 CO 0.00 0.17 0.71 1.85 0.00 0.00 0.00 173.10 175.83 2kkz s GLU 159 N -3.43 0.93 -0.19 2.90 2.12 -1.21 -1.22 118.70 118.59 2kkz s GLU 159 Ca 0.06 0.64 0.01 0.00 0.36 0.00 0.00 54.97 56.03 2kkz s GLU 159 Cb -0.02 0.44 0.04 0.00 0.26 0.00 0.00 34.13 34.86 2kkz s GLU 159 CO -0.06 -0.21 -0.12 0.42 -0.54 0.00 0.00 175.26 174.76 2kkz s ILE 160 N -0.37 1.70 -0.02 -3.70 1.01 -0.19 -0.86 121.20 118.77 2kkz s ILE 160 Ca -0.05 -0.99 0.00 0.00 0.00 0.00 0.00 60.65 59.61 2kkz s ILE 160 Cb -0.03 -1.73 0.02 0.00 0.01 0.00 0.00 42.46 40.73 2kkz s ILE 160 CO 0.05 0.23 0.01 -0.94 0.00 0.00 0.00 174.94 174.29 2kkz s SER 161 N 1.38 0.23 0.25 3.58 1.04 -0.86 -1.07 113.70 118.25 2kkz s SER 161 Ca -0.00 -0.00 -0.30 0.00 0.48 0.00 0.00 55.95 56.12 2kkz s SER 161 Cb -0.16 -0.12 -0.11 0.00 0.10 0.00 0.00 66.02 65.74 2kkz s SER 161 CO -0.09 -0.08 1.57 -2.16 0.98 0.00 0.00 173.24 173.46 2kkz s PRO 162 N 0.79 4.17 0.58 4.02 0.04 -1.26 -1.00 135.00 142.33 2kkz s PRO 162 Ca -0.07 2.49 -0.20 0.00 0.04 0.00 0.00 61.00 63.25 2kkz s PRO 162 Cb -0.10 -3.07 -0.04 0.00 0.04 0.00 0.00 34.50 31.33 2kkz s PRO 162 CO -0.02 -0.60 1.29 1.28 0.04 0.00 0.00 177.00 179.00 2kkz n LEU 163 N 2.69 5.47 0.29 -3.56 4.77 -0.21 -4.89 117.00 121.56 2kkz n LEU 163 Ca 0.10 0.92 0.17 0.00 -0.03 0.00 0.00 56.01 57.16 2kkz n LEU 163 Cb 0.38 -1.55 0.90 0.00 -2.33 0.00 0.00 43.42 40.82 2kkz n LEU 163 CO 0.63 -0.85 1.06 1.55 -1.33 0.00 0.00 177.39 178.44 2kkz h PRO 164 N 1.06 0.00 0.00 3.23 0.13 -1.94 -1.57 132.00 132.90 2kkz h PRO 164 Ca -0.50 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.63 2kkz h PRO 164 Cb 1.32 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.45 2kkz h PRO 164 CO 0.55 0.05 0.00 0.43 -0.23 0.00 0.00 178.00 178.80 2kkz n SER 165 N -3.36 0.00 -3.69 1.44 7.64 -1.26 -4.44 113.62 109.95 2kkz n SER 165 Ca -0.02 -0.14 -0.30 0.00 1.01 0.00 0.00 58.87 59.43 2kkz n SER 165 Cb 0.19 -0.28 -0.14 0.00 -1.01 0.00 0.00 64.21 62.97 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 -2.55 1.71 0.45 1.43 0.08 -0.59 -5.01 117.98 113.48 2kkz s PHE 166 Ca 0.27 -2.00 0.14 0.00 0.12 0.00 0.00 56.93 55.47 2kkz s PHE 166 Cb 0.19 -1.70 1.07 0.00 -0.57 0.00 0.00 43.02 42.01 2kkz s PHE 166 CO 0.42 -0.84 2.01 -1.35 -0.10 0.00 0.00 175.22 175.37 2kkz h PRO 167 N 7.43 0.34 -3.90 0.24 0.11 -1.78 -3.40 132.00 131.05 2kkz h PRO 167 Ca -0.06 -0.02 -0.11 0.00 0.11 0.00 0.00 66.00 65.92 2kkz h PRO 167 Cb 0.98 -0.08 -0.11 0.00 0.11 0.00 0.00 31.00 31.90 2kkz h PRO 167 CO 0.45 0.22 -0.27 0.20 -0.21 0.00 0.00 178.00 178.40 2kkz s GLY 168 N -3.83 0.71 0.32 -0.55 0.00 -1.26 -5.09 107.32 97.63 2kkz s GLY 168 Ca -0.07 -1.05 -0.10 0.00 0.00 0.00 0.00 44.72 43.50 2kkz s GLY 168 CO 0.74 -0.83 0.57 -2.38 0.00 0.00 0.00 173.10 171.20 2kkz s HIS 169 N -4.04 0.56 0.36 1.90 -3.43 -1.26 -5.03 115.29 104.35 2kkz s HIS 169 Ca 0.25 -0.96 0.02 0.00 -0.80 0.00 0.00 55.06 53.57 2kkz s HIS 169 Cb 0.02 0.27 -0.02 0.00 -1.43 0.00 0.00 32.58 31.42 2kkz s HIS 169 CO 0.08 -1.22 0.54 0.99 -2.00 0.00 0.00 174.74 173.12 2kkz s THR 170 N -3.17 4.61 0.45 -5.38 2.01 -1.26 -4.46 115.64 108.44 2kkz s THR 170 Ca 0.23 -0.67 0.24 0.00 0.31 0.00 0.00 61.69 61.80 2kkz s THR 170 Cb -0.02 -3.66 0.43 0.00 0.01 0.00 0.00 72.50 69.26 2kkz s THR 170 CO 0.14 -0.37 1.82 -0.29 -0.69 0.00 0.00 174.62 175.23 2kkz h ILE 171 N 0.75 0.56 -0.48 1.82 2.10 -1.72 -2.54 117.51 118.00 2kkz h ILE 171 Ca -0.48 -0.09 0.09 0.00 1.08 0.00 0.00 64.86 65.46 2kkz h ILE 171 Cb 1.24 0.27 -0.07 0.00 -1.09 0.00 0.00 36.82 37.17 2kkz h ILE 171 CO 0.58 0.05 0.03 -0.33 -1.08 0.00 0.00 178.15 177.41 2kkz h GLU 172 N 0.26 0.15 -0.27 2.19 4.39 -1.92 -1.42 114.58 117.95 2kkz h GLU 172 Ca 0.52 -0.01 -0.13 0.00 0.34 0.00 0.00 59.36 60.08 2kkz h GLU 172 Cb 1.56 -0.03 -0.01 0.00 -0.10 0.00 0.00 28.75 30.17 2kkz h GLU 172 CO -0.16 0.10 -0.37 -0.44 -1.16 0.00 0.00 179.01 176.98 2kkz h ASP 173 N 0.15 0.65 -0.08 1.42 3.32 -1.86 -2.76 116.42 117.26 2kkz h ASP 173 Ca 0.24 -0.28 -0.01 0.00 0.02 0.00 0.00 57.03 57.01 2kkz h ASP 173 Cb 0.34 -0.18 -0.00 0.00 0.22 0.00 0.00 39.33 39.71 2kkz h ASP 173 CO -0.37 0.95 0.03 0.58 -1.72 0.00 0.00 179.24 178.71 2kkz h VAL 174 N 0.51 1.18 -0.94 -1.35 2.07 -1.39 -1.57 116.25 114.76 2kkz h VAL 174 Ca 0.05 -0.53 0.01 0.00 0.82 0.00 0.00 66.70 67.05 2kkz h VAL 174 Cb 0.87 1.38 -0.05 0.00 -1.52 0.00 0.00 31.29 31.97 2kkz h VAL 174 CO 0.08 0.15 0.62 0.11 0.02 0.00 0.00 177.57 178.55 2kkz h LYS 175 N -0.06 1.22 -0.28 1.57 1.57 -1.21 0.19 116.57 119.57 2kkz h LYS 175 Ca 0.03 -0.07 -0.02 0.00 -1.87 0.00 0.00 60.65 58.71 2kkz h LYS 175 Cb 0.22 -0.28 -0.01 0.00 0.08 0.00 0.00 32.23 32.24 2kkz h LYS 175 CO -0.00 0.81 0.09 -0.91 -0.57 0.00 0.00 179.45 178.87 2kkz h ASN 176 N 1.26 0.41 -0.83 0.86 2.35 -1.47 -2.16 115.58 116.01 2kkz h ASN 176 Ca 0.35 -0.20 -0.02 0.00 -0.55 0.00 0.00 56.30 55.87 2kkz h ASN 176 Cb -0.13 -0.11 -0.04 0.00 0.05 0.00 0.00 38.32 38.10 2kkz h ASN 176 CO -0.08 0.51 0.44 0.00 -1.65 0.00 0.00 177.43 176.65 2kkz h ALA 177 N 0.92 1.06 -0.37 -0.83 0.00 -0.61 -1.59 119.26 117.84 2kkz h ALA 177 Ca 0.09 -0.13 -0.12 0.00 0.00 0.00 0.00 54.91 54.75 2kkz h ALA 177 Cb 0.24 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 17.69 2kkz h ALA 177 CO -0.00 0.58 -0.25 0.82 0.00 0.00 0.00 179.25 180.40 2kkz h ILE 178 N 1.15 1.27 0.00 0.00 2.04 -0.96 -2.25 117.51 118.76 2kkz h ILE 178 Ca 0.29 -1.37 -0.04 0.00 1.00 0.00 0.00 64.86 64.74 2kkz h ILE 178 Cb 0.05 1.25 -0.01 0.00 -0.74 0.00 0.00 36.82 37.38 2kkz h ILE 178 CO -0.04 0.46 -0.19 1.23 0.00 0.00 0.00 178.15 179.60 2kkz h GLY 179 N 0.96 0.00 0.62 5.37 0.00 -0.75 -0.81 103.07 108.46 2kkz h GLY 179 Ca 0.09 0.00 -0.11 0.00 0.00 0.00 0.00 47.33 47.31 2kkz h GLY 179 CO 0.06 0.00 -0.41 -2.08 0.00 0.00 0.00 176.54 174.11 2kkz h VAL 180 N 0.00 1.48 -0.00 4.60 2.07 -1.03 -0.97 116.25 122.41 2kkz h VAL 180 Ca -0.00 -1.98 0.03 0.00 0.82 0.00 0.00 66.70 65.56 2kkz h VAL 180 Cb 0.43 2.65 -0.03 0.00 -1.52 0.00 0.00 31.29 32.82 2kkz h VAL 180 CO 0.02 0.56 -0.17 0.25 0.02 0.00 0.00 177.57 178.26 2kkz h LEU 181 N -0.29 -0.48 -0.34 2.57 5.85 -1.12 -1.07 115.31 120.42 2kkz h LEU 181 Ca -0.05 0.07 0.00 0.00 0.84 0.00 0.00 57.88 58.74 2kkz h LEU 181 Cb 1.14 0.20 -0.02 0.00 0.37 0.00 0.00 40.66 42.35 2kkz h LEU 181 CO 0.08 -0.23 0.22 0.40 -0.34 0.00 0.00 178.44 178.57 2kkz h ILE 182 N -0.27 1.09 -0.64 4.05 2.04 -1.27 -2.36 117.51 120.15 2kkz h ILE 182 Ca 0.05 -0.17 0.11 0.00 1.00 0.00 0.00 64.86 65.85 2kkz h ILE 182 Cb 0.34 0.61 -0.08 0.00 -0.74 0.00 0.00 36.82 36.94 2kkz h ILE 182 CO -0.16 0.09 0.21 1.23 0.00 0.00 0.00 178.15 179.52 2kkz h GLY 183 N 0.45 0.90 1.28 5.37 0.00 -0.83 0.13 103.07 110.37 2kkz h GLY 183 Ca 0.12 -0.10 -0.12 0.00 0.00 0.00 0.00 47.33 47.23 2kkz h GLY 183 CO -0.03 -0.07 -0.25 -1.33 0.00 0.00 0.00 176.54 174.87 2kkz h GLY 184 N 0.37 0.89 1.63 4.60 0.00 -1.11 -2.57 103.07 106.89 2kkz h GLY 184 Ca 0.34 -0.79 -0.09 0.00 0.00 0.00 0.00 47.33 46.79 2kkz h GLY 184 CO -0.36 0.72 -0.26 1.41 0.00 0.00 0.00 176.54 178.04 2kkz h LEU 185 N 0.71 0.43 -0.51 3.11 3.38 -0.78 -2.17 115.31 119.48 2kkz h LEU 185 Ca 0.09 -0.15 -0.14 0.00 0.09 0.00 0.00 57.88 57.77 2kkz h LEU 185 Cb 0.78 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 41.40 2kkz h LEU 185 CO 0.06 0.69 -0.33 -0.33 0.09 0.00 0.00 178.44 178.62 2kkz h GLU 186 N 0.38 0.86 -0.79 1.13 5.08 -0.64 0.13 114.58 120.73 2kkz h GLU 186 Ca 0.06 -0.42 -0.01 0.00 -1.00 0.00 0.00 59.36 57.98 2kkz h GLU 186 Cb 0.67 -0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.87 2kkz h GLU 186 CO 0.05 1.06 0.43 0.00 -1.00 0.00 0.00 179.01 179.55 2kkz h ARG 187 N 0.72 1.10 -0.00 2.33 3.08 -1.32 -2.36 114.38 117.93 2kkz h ARG 187 Ca 0.07 -0.13 0.00 0.00 0.07 0.00 0.00 59.98 60.00 2kkz h ARG 187 Cb 0.90 -0.22 0.00 0.00 0.08 0.00 0.00 29.97 30.73 2kkz h ARG 187 CO 0.08 0.81 -0.00 0.09 -1.07 0.00 0.00 179.97 179.88 2kkz n ASN 188 N -4.43 0.02 -3.14 7.04 4.13 -0.83 -4.95 115.26 113.11 2kkz n ASN 188 Ca 0.07 -0.58 -0.14 0.00 1.68 0.00 0.00 54.58 55.61 2kkz n ASN 188 Cb 0.09 -0.14 0.07 0.00 -1.54 0.00 0.00 39.78 38.26 2kkz n ASN 188 CO 0.00 0.00 0.00 0.47 0.28 0.00 0.00 177.26 178.01 2kkz n ASP 189 N -1.13 -5.01 -4.56 6.41 9.92 -0.43 -3.80 116.55 117.94 2kkz n ASP 189 Ca 0.19 -0.63 -0.32 0.00 -0.53 0.00 0.00 54.79 53.50 2kkz n ASP 189 Cb 0.18 -4.80 -0.11 0.00 -0.64 0.00 0.00 41.12 35.75 2kkz n ASP 189 CO 0.00 0.00 0.00 0.20 0.13 0.00 0.00 177.20 177.53 2kkz s ASN 190 N -3.62 4.47 -0.65 -2.24 0.01 -0.10 -1.10 114.94 111.71 2kkz s ASN 190 Ca 0.30 -0.17 -0.27 0.00 -0.71 0.00 0.00 52.86 52.00 2kkz s ASN 190 Cb -0.04 -1.01 0.02 0.00 0.41 0.00 0.00 41.25 40.64 2kkz s ASN 190 CO 0.68 0.30 1.32 -0.89 -1.51 0.00 0.00 177.10 176.99 2kkz s THR 191 N -0.94 3.80 0.18 1.60 2.01 -0.16 -4.55 115.64 117.57 2kkz s THR 191 Ca 0.16 0.60 -0.20 0.00 0.31 0.00 0.00 61.69 62.55 2kkz s THR 191 Cb -0.11 -4.71 -0.08 0.00 0.01 0.00 0.00 72.50 67.62 2kkz s THR 191 CO 0.06 -1.51 0.68 0.68 -0.69 0.00 0.00 174.62 173.84 2kkz s VAL 192 N 5.78 4.60 -0.12 3.82 -7.23 -1.26 -1.15 120.40 124.84 2kkz s VAL 192 Ca 0.43 1.28 -0.06 0.00 -1.81 0.00 0.00 61.98 61.82 2kkz s VAL 192 Cb -0.09 -3.90 0.05 0.00 0.56 0.00 0.00 36.38 33.01 2kkz s VAL 192 CO 0.20 0.33 0.28 -0.60 -0.31 0.00 0.00 175.10 175.01 2kkz s ARG 193 N -1.68 0.25 0.05 4.82 3.52 -0.75 -4.94 118.95 120.21 2kkz s ARG 193 Ca 0.38 0.60 -0.06 0.00 -0.13 0.00 0.00 55.73 56.52 2kkz s ARG 193 Cb -0.18 -0.10 -0.05 0.00 -1.56 0.00 0.00 34.95 33.06 2kkz s ARG 193 CO 0.21 -0.17 0.30 0.08 -0.81 0.00 0.00 175.30 174.92 2kkz s VAL 194 N 1.33 5.26 0.34 7.11 1.01 -1.26 -1.35 120.40 132.84 2kkz s VAL 194 Ca -0.09 0.11 -0.28 0.00 0.00 0.00 0.00 61.98 61.72 2kkz s VAL 194 Cb -0.10 -3.59 -0.12 0.00 0.00 0.00 0.00 36.38 32.57 2kkz s VAL 194 CO -0.10 0.26 1.40 -0.24 0.00 0.00 0.00 175.10 176.43 2kkz n SER 195 N 0.79 3.25 -0.29 3.32 2.88 -0.51 -4.79 113.62 118.28 2kkz n SER 195 Ca -0.08 1.21 0.09 0.00 -1.33 0.00 0.00 58.87 58.76 2kkz n SER 195 Cb 0.52 -1.54 0.33 0.00 -0.75 0.00 0.00 64.21 62.77 2kkz n SER 195 CO 0.00 0.00 0.00 0.11 -1.23 0.00 0.00 175.04 173.92 2kkz h LYS 196 N 3.03 0.78 0.23 -1.46 1.57 -1.97 0.10 116.57 118.86 2kkz h LYS 196 Ca -0.48 -0.05 -0.01 0.00 -1.87 0.00 0.00 60.65 58.24 2kkz h LYS 196 Cb 1.26 -0.18 0.00 0.00 0.08 0.00 0.00 32.23 33.40 2kkz h LYS 196 CO 0.66 0.52 -0.11 1.79 -0.57 0.00 0.00 179.45 181.73 2kkz h THR 197 N 0.81 0.81 -0.10 -0.16 1.35 -1.95 -2.42 112.91 111.24 2kkz h THR 197 Ca 0.44 -0.20 0.03 0.00 -0.55 0.00 0.00 66.41 66.13 2kkz h THR 197 Cb 0.57 0.93 -0.00 0.00 -1.73 0.00 0.00 68.15 67.91 2kkz h THR 197 CO -0.20 0.05 0.09 -0.07 -0.25 0.00 0.00 175.52 175.13 2kkz h LEU 198 N -0.41 0.00 -0.11 3.87 3.38 -1.57 -0.57 115.31 119.89 2kkz h LEU 198 Ca -0.03 0.00 -0.16 0.00 0.09 0.00 0.00 57.88 57.77 2kkz h LEU 198 Cb 0.32 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.07 2kkz h LEU 198 CO 0.05 0.00 -0.57 1.56 0.09 0.00 0.00 178.44 179.57 2kkz h GLN 199 N 0.00 0.58 0.00 1.13 4.20 -0.37 -0.41 115.11 120.24 2kkz h GLN 199 Ca 0.05 -0.48 -0.02 0.00 0.06 0.00 0.00 58.65 58.26 2kkz h GLN 199 Cb 0.22 0.10 -0.00 0.00 0.30 0.00 0.00 27.48 28.10 2kkz h GLN 199 CO -0.00 1.10 -1.38 2.89 -0.67 0.00 0.00 178.83 180.77 2kkz n ARG 200 N -4.16 0.63 0.10 1.46 0.00 -1.02 0.20 116.66 113.87 2kkz n ARG 200 Ca -0.08 0.03 -0.23 0.00 -0.00 0.00 0.00 57.85 57.57 2kkz n ARG 200 Cb 0.64 -1.73 -0.15 0.00 -0.00 0.00 0.00 32.46 31.22 2kkz n ARG 200 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 177.63 178.37 2kkz h PHE 201 N 0.00 0.80 0.00 2.89 0.04 -1.21 -3.42 116.94 116.04 2kkz h PHE 201 Ca -0.03 -0.58 0.00 0.00 2.80 0.00 0.00 57.97 60.16 2kkz h PHE 201 Cb 1.08 -0.03 0.00 0.00 2.20 0.00 0.00 35.95 39.20 2kkz h PHE 201 CO 0.00 1.48 -0.26 0.00 -0.60 0.00 0.00 178.31 178.93 2kkz n ALA 202 N -2.72 2.39 0.40 2.45 0.00 -0.45 -1.24 120.51 121.35 2kkz n ALA 202 Ca -0.17 -0.22 0.13 0.00 0.00 0.00 0.00 53.44 53.18 2kkz n ALA 202 Cb 1.00 0.18 0.51 0.00 0.00 0.00 0.00 19.45 21.13 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 -0.26 0.00 0.00 0.00 2.91 -0.79 -3.48 115.95 114.33 2kkz h TRP 203 Ca 0.00 0.00 0.00 0.00 1.13 0.00 0.00 58.89 60.02 2kkz h TRP 203 Cb 0.26 0.00 0.00 0.00 -0.51 0.00 0.00 29.16 28.91 2kkz h TRP 203 CO -0.11 0.00 0.00 0.41 -1.03 0.00 0.00 178.44 177.71 2kkz n GLY 204 N 0.21 -0.28 2.83 2.65 0.00 0.13 -4.99 105.19 105.75 2kkz n GLY 204 Ca 0.02 0.01 -0.13 0.00 0.00 0.00 0.00 46.02 45.92 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 -4.00 0.93 -1.22 1.61 0.01 -1.19 -4.32 113.70 105.52 2kkz s SER 205 Ca 0.00 -0.90 -0.13 0.00 1.31 0.00 0.00 55.95 56.23 2kkz s SER 205 Cb 0.00 0.79 0.17 0.00 0.21 0.00 0.00 66.02 67.19 2kkz s SER 205 CO 0.00 -0.33 1.48 -1.54 0.41 0.00 0.00 173.24 173.27 2kkz n SER 206 N 4.95 5.21 -3.49 2.44 3.41 -1.26 -4.84 113.62 120.03 2kkz n SER 206 Ca 0.04 -2.99 -0.29 0.00 -0.26 0.00 0.00 58.87 55.37 2kkz n SER 206 Cb 0.47 -1.57 -0.12 0.00 -0.26 0.00 0.00 64.21 62.73 2kkz n SER 206 CO 0.00 0.00 0.00 0.21 -0.16 0.00 0.00 175.04 175.09 2kkz s ASN 207 N 2.69 3.09 -1.08 4.04 3.84 -1.26 -4.77 114.94 121.50 2kkz s ASN 207 Ca 0.43 -2.10 -0.24 0.00 0.21 0.00 0.00 52.86 51.16 2kkz s ASN 207 Cb -0.02 -0.44 -0.10 0.00 -0.55 0.00 0.00 41.25 40.14 2kkz s ASN 207 CO 0.00 -0.32 2.00 -0.70 -2.79 0.00 0.00 177.10 175.29 2kkz s GLU 208 N 1.15 2.23 -0.32 0.43 2.12 -1.26 -4.91 118.70 118.15 2kkz s GLU 208 Ca 0.17 -0.74 -0.29 0.00 0.36 0.00 0.00 54.97 54.47 2kkz s GLU 208 Cb -0.22 -5.13 0.01 0.00 0.26 0.00 0.00 34.13 29.05 2kkz s GLU 208 CO -0.04 -4.13 1.13 1.21 -0.54 0.00 0.00 175.26 172.89 2kkz s ASN 209 N 7.46 6.87 0.00 -1.70 3.04 -1.26 -4.89 114.94 124.46 2kkz s ASN 209 Ca 0.72 1.08 0.00 0.00 0.04 0.00 0.00 52.86 54.70 2kkz s ASN 209 Cb -0.04 -2.54 0.00 0.00 -1.54 0.00 0.00 41.25 37.13 2kkz s ASN 209 CO 0.10 -0.93 0.00 0.61 -3.04 0.00 0.00 177.10 173.84 2kkz n GLY 210 N 3.99 3.54 3.30 1.21 0.00 -1.26 -5.16 105.19 110.80 2kkz n GLY 210 Ca 0.13 -0.30 -0.31 0.00 0.00 0.00 0.00 46.02 45.54 2kkz n GLY 210 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2kkz s ARG 211 N 2.84 2.14 0.16 1.61 0.52 -1.26 -5.12 118.95 119.84 2kkz s ARG 211 Ca 0.00 -0.92 -0.31 0.00 -0.52 0.00 0.00 55.73 53.98 2kkz s ARG 211 Cb 0.00 -2.04 -0.11 0.00 0.52 0.00 0.00 34.95 33.32 2kkz s ARG 211 CO 0.00 0.53 1.75 -1.25 0.02 0.00 0.00 175.30 176.36 2kkz s PRO 212 N -0.55 4.14 0.55 3.54 0.04 -1.26 -5.00 135.00 136.46 2kkz s PRO 212 Ca 0.08 2.56 -0.21 0.00 0.04 0.00 0.00 61.00 63.47 2kkz s PRO 212 Cb -0.10 -3.35 -0.05 0.00 0.04 0.00 0.00 34.50 31.04 2kkz s PRO 212 CO -0.00 -0.78 1.31 -2.14 0.04 0.00 0.00 177.00 175.43 2kkz s PRO 213 N 1.96 3.15 0.32 0.56 0.02 -1.26 -4.98 135.00 134.77 2kkz s PRO 213 Ca 0.77 2.11 -0.29 0.00 0.02 0.00 0.00 61.00 63.61 2kkz s PRO 213 Cb -0.47 -2.20 -0.11 0.00 0.02 0.00 0.00 34.50 31.74 2kkz s PRO 213 CO 0.34 -1.14 1.47 -0.51 -0.33 0.00 0.00 177.00 176.82 2kkz s LEU 214 N -3.60 4.36 0.61 -5.54 1.43 -1.26 -4.94 118.68 109.73 2kkz s LEU 214 Ca 0.72 2.87 -0.19 0.00 -1.03 0.00 0.00 54.13 56.50 2kkz s LEU 214 Cb -0.37 -3.65 -0.04 0.00 0.03 0.00 0.00 46.19 42.16 2kkz s LEU 214 CO 0.43 -0.78 1.12 0.35 0.23 0.00 0.00 176.35 177.70 2kkz n THR 215 N 1.40 4.10 -1.92 5.49 -2.24 -1.26 -4.83 114.28 115.01 2kkz n THR 215 Ca 0.04 -0.50 -0.31 0.00 -2.27 0.00 0.00 64.05 61.01 2kkz n THR 215 Cb 0.39 -1.32 -0.04 0.00 -2.10 0.00 0.00 70.33 67.27 2kkz n THR 215 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 2kkz s LEU 216 N -2.89 3.21 0.00 3.22 1.43 -1.26 -5.34 118.68 117.05 2kkz s LEU 216 Ca 0.77 0.07 0.10 0.00 -1.03 0.00 0.00 54.13 54.03 2kkz s LEU 216 Cb -0.41 -2.54 0.57 0.00 0.03 0.00 0.00 46.19 43.84 2kkz s LEU 216 CO 0.45 -2.76 1.01 -1.84 0.23 0.00 0.00 176.35 173.45