#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 4.04 0.00 0.03 0.04 -1.26 -3.49 135.00 134.35 2kkz s PRO 85 Ca 0.00 1.22 0.00 0.00 0.04 0.00 0.00 61.00 62.26 2kkz s PRO 85 Cb 0.00 -3.79 0.00 0.00 0.04 0.00 0.00 34.50 30.75 2kkz s PRO 85 CO 0.00 -0.95 0.00 0.00 0.04 0.00 0.00 177.00 176.09 2kkz n ALA 86 N 7.11 0.00 -2.67 8.56 0.00 -1.26 -4.85 120.51 127.40 2kkz n ALA 86 Ca 0.13 0.00 -0.43 0.00 0.00 0.00 0.00 53.44 53.14 2kkz n ALA 86 Cb 0.47 -1.20 -0.07 0.00 0.00 0.00 0.00 19.45 18.65 2kkz n ALA 86 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 2kkz s SER 87 N -2.00 6.25 0.07 0.00 0.15 -1.23 -4.44 113.70 112.50 2kkz s SER 87 Ca 0.00 -0.74 0.07 0.00 0.70 0.00 0.00 55.95 55.98 2kkz s SER 87 Cb 0.00 -2.30 -0.03 0.00 -1.71 0.00 0.00 66.02 61.98 2kkz s SER 87 CO 0.00 -0.85 -0.18 -0.60 1.20 0.00 0.00 173.24 172.81 2kkz s ARG 88 N 2.68 1.03 -0.46 5.44 3.52 -1.25 -4.85 118.95 125.06 2kkz s ARG 88 Ca 0.17 -1.00 -0.22 0.00 -0.13 0.00 0.00 55.73 54.55 2kkz s ARG 88 Cb -0.18 -1.16 0.03 0.00 -1.56 0.00 0.00 34.95 32.09 2kkz s ARG 88 CO 0.14 0.27 0.73 0.71 -0.81 0.00 0.00 175.30 176.34 2kkz s TYR 89 N -1.09 3.00 -0.25 5.12 1.51 -1.26 -0.79 117.35 123.60 2kkz s TYR 89 Ca 0.03 -0.03 -0.29 0.00 -1.01 0.00 0.00 57.07 55.77 2kkz s TYR 89 Cb -0.09 -3.57 0.00 0.00 -0.11 0.00 0.00 41.96 38.18 2kkz s TYR 89 CO 0.03 -0.99 1.20 0.42 -1.11 0.00 0.00 175.55 175.09 2kkz s ILE 90 N 3.11 4.35 -1.13 2.71 -1.09 -0.11 -4.92 121.20 124.12 2kkz s ILE 90 Ca 0.25 1.59 -0.08 0.00 -2.23 0.00 0.00 60.65 60.19 2kkz s ILE 90 Cb -0.14 -4.19 0.27 0.00 -1.58 0.00 0.00 42.46 36.82 2kkz s ILE 90 CO 0.20 -0.32 1.36 0.35 -1.23 0.00 0.00 174.94 175.30 2kkz n THR 91 N 5.73 4.82 0.10 2.92 -2.24 -1.26 -3.05 114.28 121.29 2kkz n THR 91 Ca 0.13 -5.45 -0.05 0.00 -2.27 0.00 0.00 64.05 56.42 2kkz n THR 91 Cb 0.46 -2.36 0.09 0.00 -2.10 0.00 0.00 70.33 66.42 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 6.14 0.19 -3.56 3.42 3.58 -1.93 -3.41 116.42 120.85 2kkz h ASP 92 Ca 0.22 -0.13 -0.68 0.00 0.42 0.00 0.00 57.03 56.86 2kkz h ASP 92 Cb 0.75 -0.06 -0.19 0.00 1.72 0.00 0.00 39.33 41.55 2kkz h ASP 92 CO 1.22 0.83 -0.68 0.00 -2.88 0.00 0.00 179.24 177.73 2kkz s MET 93 N -3.53 2.90 0.77 0.28 0.23 -1.26 -4.85 119.30 113.85 2kkz s MET 93 Ca -0.03 -0.52 -0.13 0.00 -1.03 0.00 0.00 55.69 53.98 2kkz s MET 93 Cb 0.12 -2.66 0.06 0.00 -1.53 0.00 0.00 34.83 30.82 2kkz s MET 93 CO 0.80 0.62 1.14 0.95 -2.03 0.00 0.00 175.02 176.50 2kkz s THR 94 N -0.67 2.70 0.37 3.16 -4.23 -1.26 -4.83 115.64 110.88 2kkz s THR 94 Ca 0.10 0.28 0.06 0.00 -1.18 0.00 0.00 61.69 60.95 2kkz s THR 94 Cb -0.11 -2.67 0.29 0.00 1.34 0.00 0.00 72.50 71.34 2kkz s THR 94 CO 0.02 -0.25 1.98 0.40 -0.54 0.00 0.00 174.62 176.23 2kkz h ILE 95 N -0.85 1.04 0.65 2.99 5.03 -1.98 -1.02 117.51 123.37 2kkz h ILE 95 Ca -0.45 -0.25 -0.03 0.00 -0.12 0.00 0.00 64.86 64.01 2kkz h ILE 95 Cb 1.26 0.25 -0.01 0.00 -3.03 0.00 0.00 36.82 35.29 2kkz h ILE 95 CO 0.49 0.13 -0.49 -0.33 -0.68 0.00 0.00 178.15 177.27 2kkz h GLU 96 N 0.72 -1.06 0.00 2.37 5.08 -1.97 -0.31 114.58 119.41 2kkz h GLU 96 Ca 0.28 0.07 -0.06 0.00 -1.00 0.00 0.00 59.36 58.66 2kkz h GLU 96 Cb 0.19 0.24 -0.01 0.00 0.50 0.00 0.00 28.75 29.68 2kkz h GLU 96 CO -0.09 -0.71 -0.27 1.05 -1.00 0.00 0.00 179.01 178.00 2kkz h GLU 97 N -1.10 0.00 -0.12 2.33 4.11 -1.89 -1.56 114.58 116.35 2kkz h GLU 97 Ca -0.09 0.00 -0.01 0.00 0.07 0.00 0.00 59.36 59.33 2kkz h GLU 97 Cb 0.91 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.16 2kkz h GLU 97 CO 0.03 0.27 0.02 1.25 0.07 0.00 0.00 179.01 180.64 2kkz h LEU 98 N 0.00 0.19 -0.29 3.06 6.46 -1.11 -3.24 115.31 120.38 2kkz h LEU 98 Ca -0.00 -0.27 0.00 0.00 -0.12 0.00 0.00 57.88 57.49 2kkz h LEU 98 Cb 0.74 -0.05 0.00 0.00 -0.73 0.00 0.00 40.66 40.62 2kkz h LEU 98 CO 0.03 0.41 -0.07 -1.54 -0.62 0.00 0.00 178.44 176.66 2kkz n SER 99 N -4.83 0.51 -4.70 1.25 3.41 -0.13 -4.87 113.62 104.26 2kkz n SER 99 Ca -0.06 -0.79 -0.42 0.00 -0.26 0.00 0.00 58.87 57.35 2kkz n SER 99 Cb 0.18 -0.05 -0.03 0.00 -0.26 0.00 0.00 64.21 64.04 2kkz n SER 99 CO 0.00 0.00 0.00 -0.60 -0.16 0.00 0.00 175.04 174.28 2kkz s ARG 100 N -2.31 4.15 0.48 4.33 6.06 -0.63 -5.00 118.95 126.03 2kkz s ARG 100 Ca 0.34 2.53 -0.14 0.00 -2.50 0.00 0.00 55.73 55.97 2kkz s ARG 100 Cb 0.21 -3.42 -0.07 0.00 0.06 0.00 0.00 34.95 31.73 2kkz s ARG 100 CO 0.43 -0.78 0.91 0.16 -2.50 0.00 0.00 175.30 173.52 2kkz s ASP 101 N 2.12 6.55 0.24 -2.12 -4.77 -1.26 -5.05 116.67 112.39 2kkz s ASP 101 Ca 0.77 1.39 -0.22 0.00 -3.30 0.00 0.00 52.55 51.19 2kkz s ASP 101 Cb -0.46 -2.43 0.03 0.00 -1.09 0.00 0.00 42.92 38.97 2kkz s ASP 101 CO 0.34 -0.54 0.76 -1.66 0.70 0.00 0.00 175.17 174.77 2kkz s TRP 102 N -2.57 -0.21 0.12 2.11 1.48 -1.26 -4.92 118.94 113.68 2kkz s TRP 102 Ca 0.56 -0.20 0.08 0.00 -1.06 0.00 0.00 56.10 55.47 2kkz s TRP 102 Cb -0.10 0.68 -0.04 0.00 -1.16 0.00 0.00 33.47 32.86 2kkz s TRP 102 CO 0.33 -1.12 -0.19 -0.59 -4.06 0.00 0.00 176.95 171.32 2kkz s PHE 103 N -3.78 1.72 -0.39 1.66 -0.71 -1.26 -5.12 117.98 110.10 2kkz s PHE 103 Ca 0.10 -0.45 -0.06 0.00 -1.04 0.00 0.00 56.93 55.49 2kkz s PHE 103 Cb -0.05 -0.92 0.08 0.00 -1.21 0.00 0.00 43.02 40.92 2kkz s PHE 103 CO 0.04 0.22 0.19 -1.64 -1.34 0.00 0.00 175.22 172.69 2kkz s MET 104 N -2.20 2.43 0.15 1.99 -1.94 -1.26 -4.87 119.30 113.61 2kkz s MET 104 Ca 0.08 -1.48 -0.14 0.00 -1.71 0.00 0.00 55.69 52.44 2kkz s MET 104 Cb -0.08 -3.60 0.04 0.00 2.01 0.00 0.00 34.83 33.19 2kkz s MET 104 CO 0.05 -0.90 1.73 1.25 -0.01 0.00 0.00 175.02 177.14 2kkz h LEU 105 N 8.23 0.66 -7.34 -0.03 6.46 -1.98 -3.32 115.31 117.99 2kkz h LEU 105 Ca -0.20 -0.14 -0.64 0.00 -0.12 0.00 0.00 57.88 56.78 2kkz h LEU 105 Cb 1.07 -0.17 -0.41 0.00 -0.73 0.00 0.00 40.66 40.42 2kkz h LEU 105 CO 0.69 0.62 -0.60 -0.04 -0.62 0.00 0.00 178.44 178.48 2kkz s MET 106 N -5.66 2.10 -0.05 1.25 -1.94 -1.26 -4.98 119.30 108.76 2kkz s MET 106 Ca -0.13 -2.75 -0.30 0.00 -1.71 0.00 0.00 55.69 50.80 2kkz s MET 106 Cb 0.11 -3.36 -0.04 0.00 2.01 0.00 0.00 34.83 33.56 2kkz s MET 106 CO 0.77 -1.14 1.28 -1.25 -0.01 0.00 0.00 175.02 174.67 2kkz s PRO 107 N -0.49 4.31 -0.12 2.03 0.04 -1.25 -2.04 135.00 137.48 2kkz s PRO 107 Ca 0.18 1.78 0.02 0.00 0.04 0.00 0.00 61.00 63.02 2kkz s PRO 107 Cb -0.22 -3.59 0.01 0.00 0.04 0.00 0.00 34.50 30.74 2kkz s PRO 107 CO -0.03 -0.52 -0.18 0.21 0.04 0.00 0.00 177.00 176.52 2kkz s LYS 108 N 2.45 2.53 -0.32 4.56 2.20 -0.71 -4.99 119.74 125.47 2kkz s LYS 108 Ca 0.59 -0.67 0.02 0.00 -0.36 0.00 0.00 55.97 55.54 2kkz s LYS 108 Cb -0.27 -2.12 0.09 0.00 -1.51 0.00 0.00 37.83 34.03 2kkz s LYS 108 CO 0.23 -0.06 0.05 -1.14 -0.36 0.00 0.00 175.35 174.07 2kkz s GLN 109 N 0.97 1.27 -0.19 4.03 -0.44 -1.26 -1.43 119.66 122.61 2kkz s GLN 109 Ca -0.06 -1.52 -0.08 0.00 -2.50 0.00 0.00 55.36 51.21 2kkz s GLN 109 Cb -0.15 -2.75 -0.04 0.00 -1.64 0.00 0.00 33.01 28.43 2kkz s GLN 109 CO -0.03 -0.91 0.08 0.21 0.50 0.00 0.00 175.29 175.15 2kkz s LYS 110 N 1.18 4.01 0.00 1.67 2.47 -0.62 -4.95 119.74 123.51 2kkz s LYS 110 Ca 0.08 -0.32 -0.23 0.00 -1.56 0.00 0.00 55.97 53.94 2kkz s LYS 110 Cb -0.18 -3.28 -0.05 0.00 -1.46 0.00 0.00 37.83 32.85 2kkz s LYS 110 CO -0.13 0.24 0.68 0.08 0.16 0.00 0.00 175.35 176.38 2kkz s VAL 111 N 0.48 4.86 -0.51 4.02 1.01 -1.26 -0.43 120.40 128.56 2kkz s VAL 111 Ca 0.04 1.44 0.03 0.00 0.00 0.00 0.00 61.98 63.50 2kkz s VAL 111 Cb -0.12 -4.03 0.15 0.00 0.00 0.00 0.00 36.38 32.38 2kkz s VAL 111 CO 0.00 0.36 0.33 -0.70 0.00 0.00 0.00 175.10 175.10 2kkz s GLU 112 N 0.06 1.59 7.97 2.72 2.56 -0.66 -4.96 118.70 127.98 2kkz s GLU 112 Ca 0.35 -2.44 0.00 0.00 0.00 0.00 0.00 54.97 52.88 2kkz s GLU 112 Cb -0.19 -2.53 0.00 0.00 2.00 0.00 0.00 34.13 33.41 2kkz s GLU 112 CO 0.20 -1.24 0.00 0.41 -0.56 0.00 0.00 175.26 174.07 2kkz n GLY 113 N 2.94 4.03 0.00 -1.50 0.00 -1.26 -2.22 105.19 107.19 2kkz n GLY 113 Ca 0.16 0.05 0.02 0.00 0.00 0.00 0.00 46.02 46.25 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 13.77 0.95 -4.25 1.61 -0.02 -1.26 -4.83 135.00 140.96 2kkz n PRO 114 Ca 0.00 0.00 -0.14 0.00 -2.02 0.00 0.00 63.50 61.34 2kkz n PRO 114 Cb 0.00 -1.08 -0.10 0.00 -0.02 0.00 0.00 33.50 32.30 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 -1.15 2.23 -0.04 2.45 1.02 -0.94 -0.62 118.68 121.64 2kkz s LEU 115 Ca 0.07 -1.14 0.04 0.00 0.02 0.00 0.00 54.13 53.12 2kkz s LEU 115 Cb 0.03 -0.15 -0.00 0.00 0.02 0.00 0.00 46.19 46.09 2kkz s LEU 115 CO 0.05 -0.51 -0.16 0.00 0.02 0.00 0.00 176.35 175.75 2kkz s ILE 117 N -0.01 3.64 -0.22 0.00 -1.09 0.42 -1.82 121.20 122.13 2kkz s ILE 117 Ca -0.02 -0.42 -0.05 0.00 -2.23 0.00 0.00 60.65 57.92 2kkz s ILE 117 Cb -0.10 -2.62 -0.02 0.00 -1.58 0.00 0.00 42.46 38.13 2kkz s ILE 117 CO 0.02 0.45 0.01 -0.13 -1.23 0.00 0.00 174.94 174.06 2kkz s ARG 118 N 0.94 3.57 -0.09 2.79 0.52 0.37 -1.59 118.95 125.46 2kkz s ARG 118 Ca 0.00 -0.53 -0.00 0.00 -0.52 0.00 0.00 55.73 54.67 2kkz s ARG 118 Cb -0.15 -3.14 0.02 0.00 0.52 0.00 0.00 34.95 32.21 2kkz s ARG 118 CO 0.01 -0.10 -0.06 0.42 0.02 0.00 0.00 175.30 175.59 2kkz s ILE 119 N 1.32 0.84 -0.34 1.52 1.01 -0.51 -2.32 121.20 122.71 2kkz s ILE 119 Ca 0.04 -0.20 -0.17 0.00 0.00 0.00 0.00 60.65 60.32 2kkz s ILE 119 Cb -0.15 -0.88 -0.01 0.00 0.01 0.00 0.00 42.46 41.44 2kkz s ILE 119 CO 0.01 0.33 0.47 -0.62 0.00 0.00 0.00 174.94 175.13 2kkz s ASP 120 N 1.59 6.29 0.03 3.58 2.15 0.07 -1.74 116.67 128.63 2kkz s ASP 120 Ca 0.01 -0.05 0.28 0.00 0.43 0.00 0.00 52.55 53.22 2kkz s ASP 120 Cb -0.13 -2.25 1.10 0.00 -0.30 0.00 0.00 42.92 41.34 2kkz s ASP 120 CO -0.06 -0.43 1.85 0.00 -0.17 0.00 0.00 175.17 176.36 2kkz n GLN 121 N 5.64 0.04 -0.03 4.34 6.02 -0.87 -3.80 117.38 128.72 2kkz n GLN 121 Ca -0.06 0.03 -0.17 0.00 -0.01 0.00 0.00 57.00 56.79 2kkz n GLN 121 Cb 0.49 -1.54 -0.08 0.00 1.02 0.00 0.00 30.24 30.14 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 2.94 0.27 -1.97 -1.58 0.00 -1.93 -3.42 119.26 113.56 2kkz h ALA 122 Ca 0.00 -0.55 -0.57 0.00 0.00 0.00 0.00 54.91 53.79 2kkz h ALA 122 Cb 0.53 -0.02 -0.05 0.00 0.00 0.00 0.00 17.79 18.25 2kkz h ALA 122 CO 0.00 0.54 0.93 0.42 0.00 0.00 0.00 179.25 181.14 2kkz s ILE 123 N -3.76 4.25 0.10 0.00 1.09 -1.25 -5.02 121.20 116.61 2kkz s ILE 123 Ca -0.11 1.43 0.04 0.00 -1.10 0.00 0.00 60.65 60.90 2kkz s ILE 123 Cb 0.07 -4.21 -0.04 0.00 -1.06 0.00 0.00 42.46 37.22 2kkz s ILE 123 CO 0.87 -0.45 -0.10 -0.04 -0.10 0.00 0.00 174.94 175.12 2kkz s MET 124 N 3.97 0.84 -1.82 2.79 -1.94 -1.26 -4.86 119.30 117.02 2kkz s MET 124 Ca 0.53 -1.14 0.00 0.00 -1.71 0.00 0.00 55.69 53.37 2kkz s MET 124 Cb -0.16 -0.55 0.00 0.00 2.01 0.00 0.00 34.83 36.13 2kkz s MET 124 CO 0.20 0.09 0.00 -3.47 -0.01 0.00 0.00 175.02 171.83 2kkz n ASP 125 N 0.61 -5.29 -4.77 3.03 2.03 -1.12 -4.97 116.55 106.07 2kkz n ASP 125 Ca -0.16 0.27 -0.30 0.00 0.52 0.00 0.00 54.79 55.11 2kkz n ASP 125 Cb 0.57 -4.39 -0.07 0.00 -0.72 0.00 0.00 41.12 36.51 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 -4.11 2.85 -0.55 -0.67 -0.14 -1.26 -4.82 119.74 111.05 2kkz s LYS 126 Ca 0.00 -0.70 -0.26 0.00 -1.36 0.00 0.00 55.97 53.65 2kkz s LYS 126 Cb 0.00 -2.71 0.03 0.00 -1.68 0.00 0.00 37.83 33.47 2kkz s LYS 126 CO 0.00 0.56 1.06 -0.80 -0.76 0.00 0.00 175.35 175.42 2kkz s ASN 127 N -2.37 6.42 -0.23 2.83 0.01 -1.26 -1.79 114.94 118.54 2kkz s ASN 127 Ca 0.29 -0.06 -0.07 0.00 -0.71 0.00 0.00 52.86 52.31 2kkz s ASN 127 Cb -0.12 -2.50 -0.03 0.00 0.41 0.00 0.00 41.25 39.01 2kkz s ASN 127 CO 0.22 -1.33 0.06 -0.63 -1.51 0.00 0.00 177.10 173.91 2kkz s ILE 128 N 4.41 4.30 -0.16 0.60 1.01 -0.36 -2.21 121.20 128.79 2kkz s ILE 128 Ca 0.38 -0.18 -0.14 0.00 0.00 0.00 0.00 60.65 60.71 2kkz s ILE 128 Cb -0.10 -2.99 -0.05 0.00 0.01 0.00 0.00 42.46 39.33 2kkz s ILE 128 CO 0.23 0.37 0.29 -0.32 0.00 0.00 0.00 174.94 175.51 2kkz s MET 129 N 1.38 4.23 -0.48 2.79 -2.45 0.11 -1.65 119.30 123.23 2kkz s MET 129 Ca 0.05 0.08 -0.16 0.00 -1.25 0.00 0.00 55.69 54.42 2kkz s MET 129 Cb -0.15 -3.42 0.08 0.00 1.25 0.00 0.00 34.83 32.60 2kkz s MET 129 CO 0.03 0.26 0.41 -0.51 1.05 0.00 0.00 175.02 176.26 2kkz s LEU 130 N 0.41 5.72 0.18 4.11 1.43 -0.53 -2.12 118.68 127.89 2kkz s LEU 130 Ca 0.16 -1.41 0.02 0.00 -1.03 0.00 0.00 54.13 51.87 2kkz s LEU 130 Cb -0.13 -2.19 -0.04 0.00 0.03 0.00 0.00 46.19 43.87 2kkz s LEU 130 CO 0.04 -0.68 0.33 -0.54 0.23 0.00 0.00 176.35 175.73 2kkz s LYS 131 N 1.63 3.47 -0.11 1.70 -0.14 0.11 -1.77 119.74 124.64 2kkz s LYS 131 Ca 0.04 -0.52 -0.22 0.00 -1.36 0.00 0.00 55.97 53.91 2kkz s LYS 131 Cb -0.25 -2.91 0.05 0.00 -1.68 0.00 0.00 37.83 33.04 2kkz s LYS 131 CO 0.06 0.46 0.54 0.00 -0.76 0.00 0.00 175.35 175.65 2kkz s ALA 132 N -1.82 -1.36 -0.12 5.17 0.00 -1.26 -0.91 121.76 121.45 2kkz s ALA 132 Ca 0.36 1.18 -0.03 0.00 0.00 0.00 0.00 51.96 53.47 2kkz s ALA 132 Cb -0.11 -0.38 -0.03 0.00 0.00 0.00 0.00 23.12 22.61 2kkz s ALA 132 CO 0.29 -0.30 -0.02 -0.80 0.00 0.00 0.00 175.76 174.93 2kkz s ASN 133 N -0.58 4.97 0.17 0.00 0.01 -0.37 -3.92 114.94 115.21 2kkz s ASN 133 Ca -0.07 -0.02 -0.23 0.00 -0.71 0.00 0.00 52.86 51.84 2kkz s ASN 133 Cb -0.03 -1.62 0.07 0.00 0.41 0.00 0.00 41.25 40.08 2kkz s ASN 133 CO 0.05 0.26 0.61 0.72 -1.51 0.00 0.00 177.10 177.22 2kkz s PHE 134 N -0.17 -0.52 0.43 2.20 -0.71 -1.17 -1.48 117.98 116.55 2kkz s PHE 134 Ca 0.04 0.29 -0.11 0.00 -1.04 0.00 0.00 56.93 56.11 2kkz s PHE 134 Cb -0.13 0.57 -0.06 0.00 -1.21 0.00 0.00 43.02 42.19 2kkz s PHE 134 CO 0.02 -0.87 0.80 -1.54 -1.34 0.00 0.00 175.22 172.29 2kkz s SER 135 N -2.76 6.51 0.18 1.98 1.04 -0.26 -0.94 113.70 119.45 2kkz s SER 135 Ca 0.02 1.17 0.10 0.00 0.48 0.00 0.00 55.95 57.71 2kkz s SER 135 Cb -0.01 -2.34 -0.04 0.00 0.10 0.00 0.00 66.02 63.72 2kkz s SER 135 CO -0.12 -0.44 -0.15 -0.69 0.98 0.00 0.00 173.24 172.82 2kkz s VAL 136 N -2.44 2.87 -0.22 5.02 1.01 0.03 -0.74 120.40 125.92 2kkz s VAL 136 Ca 0.52 -1.78 -0.16 0.00 0.00 0.00 0.00 61.98 60.56 2kkz s VAL 136 Cb -0.10 -2.40 0.06 0.00 0.00 0.00 0.00 36.38 33.94 2kkz s VAL 136 CO 0.33 -0.10 0.57 -0.51 0.00 0.00 0.00 175.10 175.39 2kkz s ILE 137 N -1.66 -0.01 -1.84 2.22 1.10 -0.47 -3.90 121.20 116.65 2kkz s ILE 137 Ca 0.23 0.02 0.00 0.00 -0.51 0.00 0.00 60.65 60.39 2kkz s ILE 137 Cb -0.09 -0.81 0.00 0.00 0.15 0.00 0.00 42.46 41.71 2kkz s ILE 137 CO 0.13 0.01 0.00 0.49 -2.11 0.00 0.00 174.94 173.46 2kkz n PHE 138 N 3.62 -0.57 -2.80 3.50 3.72 -1.26 -1.17 117.46 122.50 2kkz n PHE 138 Ca -0.18 0.00 -0.16 0.00 -0.05 0.00 0.00 57.45 57.06 2kkz n PHE 138 Cb 0.57 -3.48 0.03 0.00 -0.94 0.00 0.00 39.48 35.65 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 -1.55 -4.90 -4.20 4.37 9.92 -1.26 -5.04 116.55 113.89 2kkz n ASP 139 Ca -0.21 -0.20 -0.12 0.00 -0.53 0.00 0.00 54.79 53.73 2kkz n ASP 139 Cb 0.65 -3.76 -0.10 0.00 -0.64 0.00 0.00 41.12 37.26 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 -5.36 0.97 -0.32 -1.24 1.04 -0.32 -4.72 118.95 108.99 2kkz s ARG 140 Ca 0.22 -1.44 -0.28 0.00 -1.04 0.00 0.00 55.73 53.18 2kkz s ARG 140 Cb -0.09 -0.14 -0.02 0.00 -2.04 0.00 0.00 34.95 32.66 2kkz s ARG 140 CO 0.27 -0.11 1.79 -1.17 -0.04 0.00 0.00 175.30 176.03 2kkz s LEU 141 N -3.10 3.52 -0.01 -1.89 0.20 -1.26 -1.37 118.68 114.76 2kkz s LEU 141 Ca 0.19 1.31 -0.09 0.00 0.69 0.00 0.00 54.13 56.23 2kkz s LEU 141 Cb 0.06 -3.53 -0.05 0.00 -0.43 0.00 0.00 46.19 42.25 2kkz s LEU 141 CO 0.00 -1.68 0.60 -0.08 -0.29 0.00 0.00 176.35 174.89 2kkz h GLU 142 N 12.74 -0.31 -3.35 1.98 4.22 -1.20 -3.34 114.58 125.32 2kkz h GLU 142 Ca -0.34 0.02 -0.25 0.00 0.08 0.00 0.00 59.36 58.87 2kkz h GLU 142 Cb 1.17 0.07 -0.32 0.00 0.50 0.00 0.00 28.75 30.17 2kkz h GLU 142 CO 1.03 -0.21 -0.63 0.99 -2.18 0.00 0.00 179.01 178.01 2kkz s THR 143 N -2.78 -0.05 0.06 0.32 2.01 -1.22 -4.53 115.64 109.45 2kkz s THR 143 Ca -0.05 0.17 -0.31 0.00 0.31 0.00 0.00 61.69 61.81 2kkz s THR 143 Cb 0.00 -0.19 -0.06 0.00 0.01 0.00 0.00 72.50 72.27 2kkz s THR 143 CO 0.14 0.07 1.25 -0.22 -0.69 0.00 0.00 174.62 175.17 2kkz s LEU 144 N 1.01 4.36 -0.16 4.42 2.96 -1.26 -1.10 118.68 128.90 2kkz s LEU 144 Ca -0.08 2.06 -0.19 0.00 -0.22 0.00 0.00 54.13 55.70 2kkz s LEU 144 Cb -0.10 -3.58 -0.17 0.00 0.50 0.00 0.00 46.19 42.84 2kkz s LEU 144 CO -0.04 -0.53 0.33 0.40 -1.32 0.00 0.00 176.35 175.18 2kkz h ILE 145 N 4.54 0.97 -1.90 6.68 5.03 -1.61 -3.45 117.51 127.77 2kkz h ILE 145 Ca -0.41 -1.90 -0.03 0.00 -0.12 0.00 0.00 64.86 62.40 2kkz h ILE 145 Cb 1.21 2.01 -0.20 0.00 -3.03 0.00 0.00 36.82 36.80 2kkz h ILE 145 CO 0.83 0.33 0.26 -0.22 -0.68 0.00 0.00 178.15 178.68 2kkz s LEU 146 N -8.15 -0.60 0.09 1.44 2.96 -0.92 -4.61 118.68 108.89 2kkz s LEU 146 Ca -0.19 0.74 0.08 0.00 -0.22 0.00 0.00 54.13 54.53 2kkz s LEU 146 Cb 0.01 2.37 -0.03 0.00 0.50 0.00 0.00 46.19 49.04 2kkz s LEU 146 CO 0.49 -0.50 -0.20 -0.22 -1.32 0.00 0.00 176.35 174.60 2kkz s LEU 147 N -0.96 2.27 -0.03 -0.68 0.20 -0.57 -1.23 118.68 117.69 2kkz s LEU 147 Ca -0.08 -0.65 -0.02 0.00 0.69 0.00 0.00 54.13 54.07 2kkz s LEU 147 Cb -0.01 -0.85 0.01 0.00 -0.43 0.00 0.00 46.19 44.91 2kkz s LEU 147 CO 0.07 0.06 0.07 -0.60 -0.29 0.00 0.00 176.35 175.66 2kkz s ARG 148 N -1.76 0.08 -0.14 1.98 3.52 -0.09 -1.41 118.95 121.14 2kkz s ARG 148 Ca 0.06 0.10 0.01 0.00 -0.13 0.00 0.00 55.73 55.77 2kkz s ARG 148 Cb -0.10 0.03 0.02 0.00 -1.56 0.00 0.00 34.95 33.34 2kkz s ARG 148 CO 0.04 -0.01 -0.16 0.00 -0.81 0.00 0.00 175.30 174.35 2kkz s ALA 149 N 0.06 1.89 0.15 6.12 0.00 -0.39 -0.71 121.76 128.89 2kkz s ALA 149 Ca -0.00 -0.89 -0.03 0.00 0.00 0.00 0.00 51.96 51.03 2kkz s ALA 149 Cb -0.01 -0.98 -0.03 0.00 0.00 0.00 0.00 23.12 22.10 2kkz s ALA 149 CO -0.00 -0.23 0.13 -0.59 0.00 0.00 0.00 175.76 175.07 2kkz s PHE 150 N 1.22 0.80 0.87 0.00 -0.12 -0.90 -1.06 117.98 118.79 2kkz s PHE 150 Ca -0.00 -1.14 -0.09 0.00 -0.05 0.00 0.00 56.93 55.64 2kkz s PHE 150 Cb -0.14 -0.38 0.18 0.00 -0.63 0.00 0.00 43.02 42.05 2kkz s PHE 150 CO -0.07 -0.60 1.19 0.95 -0.05 0.00 0.00 175.22 176.64 2kkz s THR 151 N -4.05 2.03 0.47 -4.49 -4.23 -0.73 -0.71 115.64 103.93 2kkz s THR 151 Ca 0.25 -0.28 0.36 0.00 -1.18 0.00 0.00 61.69 60.84 2kkz s THR 151 Cb 0.06 -2.75 0.39 0.00 1.34 0.00 0.00 72.50 71.54 2kkz s THR 151 CO 0.04 0.00 2.20 -0.33 -0.54 0.00 0.00 174.62 175.99 2kkz h GLU 152 N -1.19 0.00 0.00 3.99 4.39 -1.80 -1.16 114.58 118.81 2kkz h GLU 152 Ca -0.40 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.30 2kkz h GLU 152 Cb 1.24 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.89 2kkz h GLU 152 CO 0.36 0.03 0.00 0.39 -1.16 0.00 0.00 179.01 178.63 2kkz n GLU 153 N -3.31 0.20 -0.41 2.33 -0.58 -1.26 -4.91 120.64 112.70 2kkz n GLU 153 Ca -0.02 0.19 0.00 0.00 -0.42 0.00 0.00 57.16 56.91 2kkz n GLU 153 Cb 0.17 -1.74 0.00 0.00 -0.57 0.00 0.00 31.44 29.29 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 1.19 1.02 3.59 0.62 0.00 -0.44 -5.02 105.19 106.16 2kkz n GLY 154 Ca 0.05 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.65 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 -2.96 2.73 -0.01 4.61 0.00 -1.26 -4.61 121.76 120.25 2kkz s ALA 155 Ca 0.00 0.13 -0.30 0.00 0.00 0.00 0.00 51.96 51.79 2kkz s ALA 155 Cb 0.00 -4.06 -0.03 0.00 0.00 0.00 0.00 23.12 19.02 2kkz s ALA 155 CO 0.00 -2.86 1.07 0.42 0.00 0.00 0.00 175.76 174.39 2kkz s ILE 156 N 7.36 4.56 0.00 0.00 1.01 -1.26 -1.77 121.20 131.10 2kkz s ILE 156 Ca 0.79 1.84 0.00 0.00 0.00 0.00 0.00 60.65 63.28 2kkz s ILE 156 Cb -0.21 -4.18 0.00 0.00 0.01 0.00 0.00 42.46 38.08 2kkz s ILE 156 CO 0.32 0.10 0.64 1.33 0.00 0.00 0.00 174.94 177.32 2kkz n VAL 157 N 4.14 0.38 -3.46 2.92 0.24 -0.39 -4.60 118.33 117.55 2kkz n VAL 157 Ca 0.08 -0.42 -0.13 0.00 -2.04 0.00 0.00 64.34 61.83 2kkz n VAL 157 Cb 0.49 0.91 -0.03 0.00 -1.47 0.00 0.00 33.84 33.74 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 -0.38 -0.58 -0.27 7.63 0.00 -0.23 -0.75 107.32 112.74 2kkz s GLY 158 Ca 0.00 0.79 -0.25 0.00 0.00 0.00 0.00 44.72 45.25 2kkz s GLY 158 CO 0.00 0.38 1.04 1.85 0.00 0.00 0.00 173.10 176.37 2kkz s GLU 159 N -3.04 0.50 -0.22 2.90 2.12 -0.98 -1.26 118.70 118.73 2kkz s GLU 159 Ca -0.01 0.54 0.01 0.00 0.36 0.00 0.00 54.97 55.87 2kkz s GLU 159 Cb -0.01 0.24 0.05 0.00 0.26 0.00 0.00 34.13 34.68 2kkz s GLU 159 CO -0.07 -0.07 -0.09 0.42 -0.54 0.00 0.00 175.26 174.90 2kkz s ILE 160 N 0.09 1.73 -0.23 -3.70 1.01 -0.50 -0.48 121.20 119.11 2kkz s ILE 160 Ca 0.03 -1.19 -0.04 0.00 0.00 0.00 0.00 60.65 59.46 2kkz s ILE 160 Cb -0.05 -1.85 0.00 0.00 0.01 0.00 0.00 42.46 40.57 2kkz s ILE 160 CO -0.06 0.07 -0.04 -0.44 0.00 0.00 0.00 174.94 174.48 2kkz s SER 161 N 1.33 4.35 0.07 3.58 0.01 -0.75 -1.51 113.70 120.79 2kkz s SER 161 Ca -0.04 -0.55 -0.31 0.00 1.31 0.00 0.00 55.95 56.37 2kkz s SER 161 Cb -0.18 -1.73 -0.08 0.00 0.21 0.00 0.00 66.02 64.24 2kkz s SER 161 CO -0.07 -0.06 1.70 -2.84 0.41 0.00 0.00 173.24 172.37 2kkz s PRO 162 N 1.44 4.18 0.16 12.44 0.02 -1.26 -1.32 135.00 150.66 2kkz s PRO 162 Ca 0.04 2.38 -0.32 0.00 0.02 0.00 0.00 61.00 63.13 2kkz s PRO 162 Cb -0.15 -3.65 -0.10 0.00 0.02 0.00 0.00 34.50 30.62 2kkz s PRO 162 CO -0.03 -0.77 1.57 -0.51 -0.33 0.00 0.00 177.00 176.93 2kkz s LEU 163 N 2.83 4.37 0.00 -5.54 1.43 0.21 -4.91 118.68 117.06 2kkz s LEU 163 Ca 0.76 2.60 0.11 0.00 -1.03 0.00 0.00 54.13 56.57 2kkz s LEU 163 Cb -0.41 -3.59 0.47 0.00 0.03 0.00 0.00 46.19 42.69 2kkz s LEU 163 CO 0.33 -0.82 1.33 -0.81 0.23 0.00 0.00 176.35 176.60 2kkz n PRO 164 N 4.05 0.03 0.27 1.29 -0.04 -1.26 -1.89 135.00 137.44 2kkz n PRO 164 Ca 0.14 0.29 0.13 0.00 -0.04 0.00 0.00 63.50 64.02 2kkz n PRO 164 Cb 0.39 -1.50 0.73 0.00 -0.04 0.00 0.00 33.50 33.08 2kkz n PRO 164 CO 0.00 0.00 0.00 0.77 -0.04 0.00 0.00 175.50 176.23 2kkz h SER 165 N 0.00 0.00 -3.24 3.54 0.02 -1.94 -3.38 113.55 108.55 2kkz h SER 165 Ca 0.00 0.00 -0.60 0.00 -0.84 0.00 0.00 61.79 60.35 2kkz h SER 165 Cb 0.17 0.00 -0.40 0.00 0.14 0.00 0.00 62.40 62.31 2kkz h SER 165 CO 0.00 0.11 -0.77 -0.36 -1.14 0.00 0.00 176.83 174.68 2kkz s PHE 166 N -4.14 1.62 -0.99 3.45 0.08 -0.79 -5.09 117.98 112.13 2kkz s PHE 166 Ca -0.03 -2.16 -0.23 0.00 0.12 0.00 0.00 56.93 54.63 2kkz s PHE 166 Cb 0.13 -1.62 0.04 0.00 -0.57 0.00 0.00 43.02 40.99 2kkz s PHE 166 CO 0.58 -0.80 1.50 -1.25 -0.10 0.00 0.00 175.22 175.14 2kkz s PRO 167 N 0.64 3.44 0.00 0.24 0.04 -1.26 -4.55 135.00 133.55 2kkz s PRO 167 Ca 0.17 -0.96 0.00 0.00 0.04 0.00 0.00 61.00 60.25 2kkz s PRO 167 Cb -0.24 -5.25 0.00 0.00 0.04 0.00 0.00 34.50 29.06 2kkz s PRO 167 CO -0.01 -2.34 0.00 0.41 0.04 0.00 0.00 177.00 175.10 2kkz n GLY 168 N 6.79 1.64 3.92 0.56 0.00 -1.26 -5.15 105.19 111.69 2kkz n GLY 168 Ca 0.32 -0.72 -0.21 0.00 0.00 0.00 0.00 46.02 45.41 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 0.00 3.16 0.55 1.61 -3.43 -1.26 -5.11 115.29 110.81 2kkz s HIS 169 Ca 0.00 -0.16 -0.08 0.00 -0.80 0.00 0.00 55.06 54.02 2kkz s HIS 169 Cb 0.00 -1.72 -0.03 0.00 -1.43 0.00 0.00 32.58 29.40 2kkz s HIS 169 CO 0.00 0.26 0.89 0.95 -2.00 0.00 0.00 174.74 174.84 2kkz s THR 170 N -2.14 4.71 0.46 -5.38 -4.23 -1.26 -4.78 115.64 103.02 2kkz s THR 170 Ca 0.39 0.45 0.18 0.00 -1.18 0.00 0.00 61.69 61.53 2kkz s THR 170 Cb -0.08 -3.83 0.36 0.00 1.34 0.00 0.00 72.50 70.29 2kkz s THR 170 CO 0.28 -0.93 1.95 -0.29 -0.54 0.00 0.00 174.62 175.09 2kkz h ILE 171 N -0.03 0.79 -0.25 2.99 2.10 -1.80 -2.03 117.51 119.28 2kkz h ILE 171 Ca -0.46 -0.10 -0.06 0.00 1.08 0.00 0.00 64.86 65.32 2kkz h ILE 171 Cb 1.20 0.47 -0.01 0.00 -1.09 0.00 0.00 36.82 37.38 2kkz h ILE 171 CO 0.62 0.05 -0.10 -0.33 -1.08 0.00 0.00 178.15 177.31 2kkz h GLU 172 N 0.30 0.40 -0.11 2.19 5.08 -1.93 -1.39 114.58 119.12 2kkz h GLU 172 Ca 0.33 -0.10 -0.13 0.00 -1.00 0.00 0.00 59.36 58.46 2kkz h GLU 172 Cb 0.86 -0.05 -0.01 0.00 0.50 0.00 0.00 28.75 30.05 2kkz h GLU 172 CO -0.08 0.51 -0.51 -0.44 -1.00 0.00 0.00 179.01 177.48 2kkz h ASP 173 N 0.38 0.32 -0.04 1.42 3.32 -1.75 -2.24 116.42 117.82 2kkz h ASP 173 Ca 0.08 -0.16 -0.14 0.00 0.02 0.00 0.00 57.03 56.83 2kkz h ASP 173 Cb 0.41 -0.09 -0.01 0.00 0.22 0.00 0.00 39.33 39.86 2kkz h ASP 173 CO 0.02 0.78 -0.43 0.58 -1.72 0.00 0.00 179.24 178.47 2kkz h VAL 174 N 0.23 1.30 -0.69 -1.35 2.07 -1.29 -1.31 116.25 115.20 2kkz h VAL 174 Ca 0.01 -1.60 -0.03 0.00 0.82 0.00 0.00 66.70 65.89 2kkz h VAL 174 Cb 0.99 1.58 -0.03 0.00 -1.52 0.00 0.00 31.29 32.30 2kkz h VAL 174 CO 0.08 0.51 0.32 0.11 0.02 0.00 0.00 177.57 178.60 2kkz h LYS 175 N 0.47 1.00 -0.44 1.57 1.57 -1.09 -0.75 116.57 118.90 2kkz h LYS 175 Ca 0.04 -0.14 -0.03 0.00 -1.87 0.00 0.00 60.65 58.64 2kkz h LYS 175 Cb 0.94 -0.18 -0.02 0.00 0.08 0.00 0.00 32.23 33.05 2kkz h LYS 175 CO 0.08 0.78 0.14 -0.91 -0.57 0.00 0.00 179.45 178.97 2kkz h ASN 176 N 0.99 0.63 0.10 0.86 2.35 -1.27 -2.56 115.58 116.68 2kkz h ASN 176 Ca 0.24 -0.21 -0.00 0.00 -0.55 0.00 0.00 56.30 55.78 2kkz h ASN 176 Cb 0.13 -0.17 0.00 0.00 0.05 0.00 0.00 38.32 38.33 2kkz h ASN 176 CO -0.03 0.67 -0.05 0.00 -1.65 0.00 0.00 177.43 176.38 2kkz h ALA 177 N 0.99 -0.13 -0.24 -0.83 0.00 -0.64 -2.28 119.26 116.12 2kkz h ALA 177 Ca 0.14 -0.09 -0.05 0.00 0.00 0.00 0.00 54.91 54.90 2kkz h ALA 177 Cb 0.26 0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.09 2kkz h ALA 177 CO -0.00 -0.50 -0.08 0.82 0.00 0.00 0.00 179.25 179.48 2kkz h ILE 178 N -0.27 1.20 -0.98 0.00 2.04 -1.24 -1.94 117.51 116.31 2kkz h ILE 178 Ca -0.01 -0.83 0.02 0.00 1.00 0.00 0.00 64.86 65.04 2kkz h ILE 178 Cb 0.23 1.11 -0.05 0.00 -0.74 0.00 0.00 36.82 37.36 2kkz h ILE 178 CO 0.02 0.27 0.65 1.23 0.00 0.00 0.00 178.15 180.32 2kkz h GLY 179 N 0.81 1.40 0.85 5.37 0.00 -1.17 -0.96 103.07 109.38 2kkz h GLY 179 Ca 0.08 -0.50 -0.12 0.00 0.00 0.00 0.00 47.33 46.78 2kkz h GLY 179 CO 0.02 0.47 -0.40 -2.08 0.00 0.00 0.00 176.54 174.54 2kkz h VAL 180 N 1.29 1.36 0.10 4.60 2.07 -0.95 -1.26 116.25 123.46 2kkz h VAL 180 Ca 0.37 -1.70 0.02 0.00 0.82 0.00 0.00 66.70 66.22 2kkz h VAL 180 Cb -0.08 2.08 -0.05 0.00 -1.52 0.00 0.00 31.29 31.72 2kkz h VAL 180 CO -0.10 0.51 -0.41 0.25 0.02 0.00 0.00 177.57 177.84 2kkz h LEU 181 N 0.12 -1.21 -0.51 2.57 5.85 -1.14 -0.19 115.31 120.79 2kkz h LEU 181 Ca -0.01 0.14 0.02 0.00 0.84 0.00 0.00 57.88 58.87 2kkz h LEU 181 Cb 1.02 0.46 -0.03 0.00 0.37 0.00 0.00 40.66 42.48 2kkz h LEU 181 CO 0.09 -0.48 0.31 0.40 -0.34 0.00 0.00 178.44 178.41 2kkz h ILE 182 N -0.63 1.06 -0.94 4.05 2.04 -1.28 -1.54 117.51 120.27 2kkz h ILE 182 Ca 0.03 -0.21 0.15 0.00 1.00 0.00 0.00 64.86 65.83 2kkz h ILE 182 Cb 0.67 0.40 -0.08 0.00 -0.74 0.00 0.00 36.82 37.06 2kkz h ILE 182 CO -0.25 0.11 0.60 1.23 0.00 0.00 0.00 178.15 179.84 2kkz h GLY 183 N 0.61 1.38 1.90 5.37 0.00 -0.67 0.20 103.07 111.87 2kkz h GLY 183 Ca 0.20 -0.33 -0.19 0.00 0.00 0.00 0.00 47.33 47.01 2kkz h GLY 183 CO -0.09 0.07 -0.95 -1.33 0.00 0.00 0.00 176.54 174.24 2kkz h GLY 184 N 0.75 0.00 2.00 4.60 0.00 -0.82 -3.17 103.07 106.43 2kkz h GLY 184 Ca 0.48 0.00 -0.02 0.00 0.00 0.00 0.00 47.33 47.80 2kkz h GLY 184 CO -0.25 0.00 -0.09 1.41 0.00 0.00 0.00 176.54 177.62 2kkz h LEU 185 N 0.00 0.00 -0.68 3.11 3.38 -0.05 -3.14 115.31 117.92 2kkz h LEU 185 Ca -0.03 0.00 -0.13 0.00 0.09 0.00 0.00 57.88 57.81 2kkz h LEU 185 Cb 1.70 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 42.44 2kkz h LEU 185 CO 0.11 0.09 -0.33 -0.33 0.09 0.00 0.00 178.44 178.06 2kkz h GLU 186 N 0.00 0.65 0.00 1.13 4.39 -0.65 -2.54 114.58 117.56 2kkz h GLU 186 Ca -0.00 -0.30 -0.08 0.00 0.34 0.00 0.00 59.36 59.31 2kkz h GLU 186 Cb 0.66 -0.01 -0.01 0.00 -0.10 0.00 0.00 28.75 29.29 2kkz h GLU 186 CO 0.01 0.89 -0.40 0.07 -1.16 0.00 0.00 179.01 178.42 2kkz h ARG 187 N 0.55 0.00 0.00 2.33 0.11 -1.65 -2.01 114.38 113.71 2kkz h ARG 187 Ca 0.06 0.00 -0.01 0.00 0.10 0.00 0.00 59.98 60.13 2kkz h ARG 187 Cb 0.83 0.00 -0.00 0.00 1.11 0.00 0.00 29.97 31.91 2kkz h ARG 187 CO 0.07 0.40 -0.05 -0.91 0.10 0.00 0.00 179.97 179.58 2kkz h ASN 188 N 0.00 0.00 -5.88 0.08 4.21 -1.45 -3.48 115.58 109.06 2kkz h ASN 188 Ca -0.00 0.00 -0.22 0.00 1.21 0.00 0.00 56.30 57.28 2kkz h ASN 188 Cb 1.16 0.00 0.03 0.00 -1.12 0.00 0.00 38.32 38.39 2kkz h ASN 188 CO 0.05 0.05 -0.52 -0.67 -1.29 0.00 0.00 177.43 175.05 2kkz n ASP 189 N -3.40 -6.51 -0.23 5.81 2.03 -0.75 -3.91 116.55 109.58 2kkz n ASP 189 Ca -0.02 -0.53 0.00 0.00 0.52 0.00 0.00 54.79 54.77 2kkz n ASP 189 Cb 0.19 -4.03 0.00 0.00 -0.72 0.00 0.00 41.12 36.55 2kkz n ASP 189 CO 0.00 0.00 0.00 -0.46 -1.92 0.00 0.00 177.20 174.82 2kkz n ASN 190 N -2.28 1.55 -4.03 1.67 0.23 -1.25 -2.80 115.26 108.36 2kkz n ASN 190 Ca -0.10 -0.13 -0.31 0.00 -0.53 0.00 0.00 54.58 53.50 2kkz n ASN 190 Cb 0.58 0.00 -0.15 0.00 -2.08 0.00 0.00 39.78 38.13 2kkz n ASN 190 CO 0.00 0.00 0.00 -0.89 -0.93 0.00 0.00 177.26 175.44 2kkz s THR 191 N 0.32 2.26 0.13 5.53 2.01 -0.74 -4.92 115.64 120.23 2kkz s THR 191 Ca 0.00 -2.24 -0.09 0.00 0.31 0.00 0.00 61.69 59.67 2kkz s THR 191 Cb 0.00 -2.62 -0.06 0.00 0.01 0.00 0.00 72.50 69.83 2kkz s THR 191 CO 0.00 -0.52 0.45 0.68 -0.69 0.00 0.00 174.62 174.54 2kkz s VAL 192 N 0.93 5.05 -0.04 3.82 -7.23 -1.26 -1.22 120.40 120.45 2kkz s VAL 192 Ca 0.08 0.40 -0.02 0.00 -1.81 0.00 0.00 61.98 60.63 2kkz s VAL 192 Cb -0.19 -3.65 0.03 0.00 0.56 0.00 0.00 36.38 33.13 2kkz s VAL 192 CO -0.08 0.15 0.10 -0.60 -0.31 0.00 0.00 175.10 174.36 2kkz s ARG 193 N -2.29 0.06 -0.04 4.82 3.52 -0.66 -4.94 118.95 119.43 2kkz s ARG 193 Ca 0.39 0.25 -0.19 0.00 -0.13 0.00 0.00 55.73 56.04 2kkz s ARG 193 Cb -0.13 -0.13 -0.05 0.00 -1.56 0.00 0.00 34.95 33.08 2kkz s ARG 193 CO 0.20 -0.12 0.53 0.08 -0.81 0.00 0.00 175.30 175.18 2kkz s VAL 194 N 0.82 5.01 0.69 7.11 1.01 -1.26 -1.45 120.40 132.33 2kkz s VAL 194 Ca -0.06 1.10 -0.17 0.00 0.00 0.00 0.00 61.98 62.85 2kkz s VAL 194 Cb -0.09 -3.86 0.02 0.00 0.00 0.00 0.00 36.38 32.44 2kkz s VAL 194 CO -0.03 0.41 1.27 -0.55 0.00 0.00 0.00 175.10 176.20 2kkz s SER 195 N -0.08 4.31 0.30 3.32 0.15 -0.73 -4.71 113.70 116.26 2kkz s SER 195 Ca 0.28 2.55 0.05 0.00 0.70 0.00 0.00 55.95 59.54 2kkz s SER 195 Cb -0.17 -2.61 0.72 0.00 -1.71 0.00 0.00 66.02 62.25 2kkz s SER 195 CO 0.15 -2.20 1.78 0.07 1.20 0.00 0.00 173.24 174.24 2kkz h LYS 196 N 0.13 0.75 -0.03 5.44 2.10 -1.96 -0.39 116.57 122.61 2kkz h LYS 196 Ca -0.50 -0.05 -0.01 0.00 -2.00 0.00 0.00 60.65 58.10 2kkz h LYS 196 Cb 1.33 -0.17 -0.00 0.00 -0.90 0.00 0.00 32.23 32.49 2kkz h LYS 196 CO 0.51 0.50 -0.02 1.79 -2.00 0.00 0.00 179.45 180.23 2kkz h THR 197 N 0.77 1.35 0.00 0.07 1.35 -1.97 -2.92 112.91 111.56 2kkz h THR 197 Ca 0.57 -1.07 -0.01 0.00 -0.55 0.00 0.00 66.41 65.35 2kkz h THR 197 Cb 0.86 2.00 -0.00 0.00 -1.73 0.00 0.00 68.15 69.28 2kkz h THR 197 CO -0.38 0.29 -0.06 -0.07 -0.25 0.00 0.00 175.52 175.05 2kkz h LEU 198 N -0.35 0.00 0.42 3.87 3.38 -1.60 -0.74 115.31 120.29 2kkz h LEU 198 Ca 0.01 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.96 2kkz h LEU 198 Cb 0.47 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.23 2kkz h LEU 198 CO 0.01 0.06 -0.20 1.56 0.09 0.00 0.00 178.44 179.95 2kkz h GLN 199 N 0.00 -0.55 0.00 1.13 4.20 -1.06 0.13 115.11 118.96 2kkz h GLN 199 Ca -0.00 0.04 -0.02 0.00 0.06 0.00 0.00 58.65 58.73 2kkz h GLN 199 Cb 0.11 0.12 -0.00 0.00 0.30 0.00 0.00 27.48 28.01 2kkz h GLN 199 CO 0.01 -0.24 -0.10 0.07 -0.67 0.00 0.00 178.83 177.89 2kkz h ARG 200 N -0.98 0.00 0.00 1.46 -0.00 -1.30 0.30 114.38 113.86 2kkz h ARG 200 Ca -0.06 0.00 -0.00 0.00 -0.00 0.00 0.00 59.98 59.92 2kkz h ARG 200 Cb 0.56 0.00 -0.00 0.00 -0.00 0.00 0.00 29.97 30.53 2kkz h ARG 200 CO 0.10 0.10 -0.21 0.74 -0.00 0.00 0.00 179.97 180.70 2kkz h PHE 201 N 0.00 0.00 0.00 4.08 0.04 -1.22 -3.46 116.94 116.38 2kkz h PHE 201 Ca -0.00 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.77 2kkz h PHE 201 Cb 0.71 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.86 2kkz h PHE 201 CO 0.00 0.03 -0.26 0.00 -0.60 0.00 0.00 178.31 177.47 2kkz n ALA 202 N -3.11 2.39 0.34 2.45 0.00 -0.17 -4.39 120.51 118.02 2kkz n ALA 202 Ca -0.03 -0.22 0.06 0.00 0.00 0.00 0.00 53.44 53.25 2kkz n ALA 202 Cb 0.11 0.18 0.27 0.00 0.00 0.00 0.00 19.45 20.01 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 -3.69 0.14 -1.35 0.00 -0.00 0.27 -4.22 117.44 108.59 2kkz n TRP 203 Ca -0.04 0.06 -0.41 0.00 -0.00 0.00 0.00 57.50 57.12 2kkz n TRP 203 Cb 0.14 -0.60 -0.06 0.00 -0.00 0.00 0.00 31.31 30.79 2kkz n TRP 203 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 177.69 178.10 2kkz n GLY 204 N -0.46 2.30 3.15 5.87 0.00 0.10 -4.67 105.19 111.49 2kkz n GLY 204 Ca 0.02 -1.17 0.04 0.00 0.00 0.00 0.00 46.02 44.91 2kkz n GLY 204 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2kkz s SER 205 N 5.24 -1.48 0.27 1.61 0.15 -1.26 -5.02 113.70 113.21 2kkz s SER 205 Ca 0.59 0.13 0.05 0.00 0.70 0.00 0.00 55.95 57.41 2kkz s SER 205 Cb 0.12 1.93 0.38 0.00 -1.71 0.00 0.00 66.02 66.73 2kkz s SER 205 CO 0.12 -0.27 1.66 0.77 1.20 0.00 0.00 173.24 176.72 2kkz h SER 206 N 7.85 0.33 -1.45 5.45 4.64 -1.97 -3.47 113.55 124.92 2kkz h SER 206 Ca -0.02 -0.15 -0.40 0.00 -0.47 0.00 0.00 61.79 60.76 2kkz h SER 206 Cb 1.19 -0.09 -0.12 0.00 -0.31 0.00 0.00 62.40 63.07 2kkz h SER 206 CO 0.12 0.73 -0.40 -3.20 -0.87 0.00 0.00 176.83 173.20 2kkz n ASN 207 N -4.01 -5.45 0.10 4.97 5.15 -1.26 -4.90 115.26 109.85 2kkz n ASN 207 Ca -0.02 0.35 -0.13 0.00 -0.60 0.00 0.00 54.58 54.18 2kkz n ASN 207 Cb 0.50 -4.63 -0.08 0.00 -0.53 0.00 0.00 39.78 35.04 2kkz n ASN 207 CO 0.00 0.00 0.00 -0.08 1.40 0.00 0.00 177.26 178.58 2kkz h GLU 208 N 0.00 -0.20 -2.22 1.20 4.81 -2.04 -2.22 114.58 113.91 2kkz h GLU 208 Ca -0.42 0.01 -0.51 0.00 -0.13 0.00 0.00 59.36 58.31 2kkz h GLU 208 Cb 1.30 0.05 -0.13 0.00 0.63 0.00 0.00 28.75 30.60 2kkz h GLU 208 CO 0.58 0.02 0.99 -1.71 -0.73 0.00 0.00 179.01 178.16 2kkz n ASN 209 N -5.10 6.79 -2.69 1.04 4.05 -1.26 -4.26 115.26 113.83 2kkz n ASN 209 Ca -0.09 -3.00 -0.07 0.00 0.45 0.00 0.00 54.58 51.87 2kkz n ASN 209 Cb 0.18 -1.32 0.10 0.00 1.23 0.00 0.00 39.78 39.96 2kkz n ASN 209 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 177.26 174.82 2kkz n GLY 210 N 1.60 1.44 3.90 8.20 0.00 -0.83 -5.14 105.19 114.35 2kkz n GLY 210 Ca 0.53 -0.37 -0.32 0.00 0.00 0.00 0.00 46.02 45.87 2kkz n GLY 210 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 2kkz s ARG 211 N -0.52 3.60 0.05 1.61 1.70 -1.26 -5.02 118.95 119.10 2kkz s ARG 211 Ca 0.22 -0.11 -0.31 0.00 -0.47 0.00 0.00 55.73 55.07 2kkz s ARG 211 Cb 0.41 -2.91 -0.07 0.00 -0.57 0.00 0.00 34.95 31.81 2kkz s ARG 211 CO -0.07 0.51 1.52 -2.14 -1.08 0.00 0.00 175.30 174.04 2kkz s PRO 212 N -2.47 4.25 0.44 3.89 0.02 -1.26 -5.01 135.00 134.86 2kkz s PRO 212 Ca 0.38 2.15 -0.25 0.00 0.02 0.00 0.00 61.00 63.30 2kkz s PRO 212 Cb -0.12 -3.54 -0.08 0.00 0.02 0.00 0.00 34.50 30.78 2kkz s PRO 212 CO 0.23 -0.63 1.33 -2.14 -0.33 0.00 0.00 177.00 175.46 2kkz s PRO 213 N 2.35 3.74 -0.78 5.54 0.02 -1.26 -4.92 135.00 139.70 2kkz s PRO 213 Ca 0.68 2.20 -0.25 0.00 0.02 0.00 0.00 61.00 63.66 2kkz s PRO 213 Cb -0.36 -2.62 -0.05 0.00 0.02 0.00 0.00 34.50 31.50 2kkz s PRO 213 CO 0.29 -0.70 1.98 -0.51 -0.33 0.00 0.00 177.00 177.74 2kkz s LEU 214 N -2.74 3.20 0.29 -5.54 1.43 -1.26 -4.96 118.68 109.10 2kkz s LEU 214 Ca 0.61 -0.19 -0.25 0.00 -1.03 0.00 0.00 54.13 53.26 2kkz s LEU 214 Cb -0.39 -2.55 -0.09 0.00 0.03 0.00 0.00 46.19 43.19 2kkz s LEU 214 CO 0.49 -2.72 0.90 0.42 0.23 0.00 0.00 176.35 175.67 2kkz s THR 215 N 10.23 4.27 0.20 5.49 -4.23 -1.26 -5.08 115.64 125.26 2kkz s THR 215 Ca 0.72 1.74 0.06 0.00 -1.18 0.00 0.00 61.69 63.03 2kkz s THR 215 Cb -0.10 -4.01 -0.04 0.00 1.34 0.00 0.00 72.50 69.70 2kkz s THR 215 CO 0.08 0.19 0.18 -1.48 -0.54 0.00 0.00 174.62 173.05 2kkz s LEU 216 N -1.94 3.87 0.00 4.79 0.05 -1.26 -5.31 118.68 118.87 2kkz s LEU 216 Ca 0.48 -0.14 0.05 0.00 0.05 0.00 0.00 54.13 54.57 2kkz s LEU 216 Cb -0.19 -2.44 0.04 0.00 -2.05 0.00 0.00 46.19 41.55 2kkz s LEU 216 CO 0.24 0.03 0.66 -0.62 -0.55 0.00 0.00 176.35 176.11