#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 4.19 -0.20 3.17 0.04 -1.26 -4.93 135.00 136.01 2kkz s PRO 85 Ca 0.00 2.16 -0.14 0.00 0.04 0.00 0.00 61.00 63.06 2kkz s PRO 85 Cb 0.00 -3.89 -0.04 0.00 0.04 0.00 0.00 34.50 30.60 2kkz s PRO 85 CO 0.00 -0.80 0.32 0.00 0.04 0.00 0.00 177.00 176.56 2kkz s ALA 86 N 3.70 3.58 -1.17 8.56 0.00 -1.26 -4.83 121.76 130.33 2kkz s ALA 86 Ca 0.72 -0.60 -0.21 0.00 0.00 0.00 0.00 51.96 51.87 2kkz s ALA 86 Cb -0.33 -2.51 0.02 0.00 0.00 0.00 0.00 23.12 20.29 2kkz s ALA 86 CO 0.29 -0.19 1.75 -1.54 0.00 0.00 0.00 175.76 176.07 2kkz s SER 87 N 0.93 6.15 0.17 0.00 1.04 -1.26 -4.13 113.70 116.60 2kkz s SER 87 Ca 0.16 -1.88 0.09 0.00 0.48 0.00 0.00 55.95 54.80 2kkz s SER 87 Cb -0.14 -2.58 -0.04 0.00 0.10 0.00 0.00 66.02 63.36 2kkz s SER 87 CO 0.06 -1.87 -0.11 -0.60 0.98 0.00 0.00 173.24 171.70 2kkz s ARG 88 N 5.21 2.01 -0.26 4.02 3.52 -1.11 -4.95 118.95 127.39 2kkz s ARG 88 Ca 0.58 -1.25 -0.01 0.00 -0.13 0.00 0.00 55.73 54.92 2kkz s ARG 88 Cb 0.01 -2.15 0.04 0.00 -1.56 0.00 0.00 34.95 31.29 2kkz s ARG 88 CO 0.05 0.44 -0.07 0.71 -0.81 0.00 0.00 175.30 175.62 2kkz s TYR 89 N -1.61 3.12 0.08 5.12 1.51 -1.26 0.25 117.35 124.57 2kkz s TYR 89 Ca 0.24 -1.77 -0.30 0.00 -1.01 0.00 0.00 57.07 54.22 2kkz s TYR 89 Cb -0.09 -2.03 -0.05 0.00 -0.11 0.00 0.00 41.96 39.67 2kkz s TYR 89 CO 0.14 -0.78 1.02 0.42 -1.11 0.00 0.00 175.55 175.25 2kkz s ILE 90 N 1.26 4.43 -0.48 2.71 -1.09 0.11 -4.95 121.20 123.20 2kkz s ILE 90 Ca -0.02 1.90 0.03 0.00 -2.23 0.00 0.00 60.65 60.33 2kkz s ILE 90 Cb -0.18 -4.22 0.14 0.00 -1.58 0.00 0.00 42.46 36.63 2kkz s ILE 90 CO -0.05 0.24 0.28 0.42 -1.23 0.00 0.00 174.94 174.60 2kkz s THR 91 N 0.40 1.63 0.11 2.92 -4.23 -1.26 -1.56 115.64 113.65 2kkz s THR 91 Ca 0.50 -2.86 0.26 0.00 -1.18 0.00 0.00 61.69 58.42 2kkz s THR 91 Cb -0.25 -2.13 0.27 0.00 1.34 0.00 0.00 72.50 71.74 2kkz s THR 91 CO 0.30 -0.93 1.86 0.44 -0.54 0.00 0.00 174.62 175.76 2kkz h ASP 92 N 6.45 0.00 -4.56 3.99 3.32 -1.72 -3.44 116.42 120.46 2kkz h ASP 92 Ca 0.02 0.00 -0.70 0.00 0.02 0.00 0.00 57.03 56.37 2kkz h ASP 92 Cb 0.90 0.00 -0.30 0.00 0.22 0.00 0.00 39.33 40.15 2kkz h ASP 92 CO 0.53 0.16 -0.88 -0.04 -1.72 0.00 0.00 179.24 177.29 2kkz s MET 93 N -3.65 2.14 0.56 3.56 -1.94 -1.26 -4.88 119.30 113.83 2kkz s MET 93 Ca 0.01 -0.91 -0.03 0.00 -1.71 0.00 0.00 55.69 53.04 2kkz s MET 93 Cb 0.10 -2.06 0.01 0.00 2.01 0.00 0.00 34.83 34.89 2kkz s MET 93 CO 0.61 0.56 0.83 0.95 -0.01 0.00 0.00 175.02 177.97 2kkz s THR 94 N -0.61 3.53 0.51 2.05 -4.23 -1.26 -4.88 115.64 110.75 2kkz s THR 94 Ca 0.10 -0.23 0.25 0.00 -1.18 0.00 0.00 61.69 60.63 2kkz s THR 94 Cb -0.10 -3.37 0.41 0.00 1.34 0.00 0.00 72.50 70.77 2kkz s THR 94 CO -0.01 -0.34 1.96 0.40 -0.54 0.00 0.00 174.62 176.09 2kkz h ILE 95 N -0.02 0.71 0.25 2.99 5.03 -2.00 -2.24 117.51 122.22 2kkz h ILE 95 Ca -0.45 -0.02 -0.00 0.00 -0.12 0.00 0.00 64.86 64.26 2kkz h ILE 95 Cb 1.26 0.63 -0.02 0.00 -3.03 0.00 0.00 36.82 35.66 2kkz h ILE 95 CO 0.59 0.01 -0.38 -0.33 -0.68 0.00 0.00 178.15 177.36 2kkz h GLU 96 N 0.07 -0.64 0.00 2.37 5.08 -1.95 -1.57 114.58 117.94 2kkz h GLU 96 Ca 0.30 0.04 -0.05 0.00 -1.00 0.00 0.00 59.36 58.66 2kkz h GLU 96 Cb 1.12 0.15 -0.01 0.00 0.50 0.00 0.00 28.75 30.51 2kkz h GLU 96 CO -0.02 -0.43 -0.22 1.05 -1.00 0.00 0.00 179.01 178.39 2kkz h GLU 97 N -0.67 0.00 -0.94 2.33 9.09 -1.86 -1.86 114.58 120.67 2kkz h GLU 97 Ca -0.03 0.00 0.04 0.00 0.05 0.00 0.00 59.36 59.42 2kkz h GLU 97 Cb 0.61 0.00 -0.06 0.00 -1.65 0.00 0.00 28.75 27.66 2kkz h GLU 97 CO -0.12 0.22 0.61 -0.07 0.05 0.00 0.00 179.01 179.71 2kkz h LEU 98 N 0.00 1.01 -3.36 3.06 3.38 -1.33 -2.93 115.31 115.14 2kkz h LEU 98 Ca -0.00 -0.01 -0.03 0.00 0.09 0.00 0.00 57.88 57.93 2kkz h LEU 98 Cb 1.03 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 41.53 2kkz h LEU 98 CO 0.03 0.68 0.02 -1.20 0.09 0.00 0.00 178.44 178.06 2kkz n SER 99 N -4.45 4.22 -4.77 -0.43 7.64 -0.60 -5.04 113.62 110.20 2kkz n SER 99 Ca 0.13 -3.07 -0.39 0.00 1.01 0.00 0.00 58.87 56.55 2kkz n SER 99 Cb 0.11 -0.59 -0.03 0.00 -1.01 0.00 0.00 64.21 62.69 2kkz n SER 99 CO 0.00 0.00 0.00 -0.60 -3.01 0.00 0.00 175.04 171.43 2kkz s ARG 100 N -2.87 4.21 -0.50 1.43 6.06 -0.73 -5.00 118.95 121.55 2kkz s ARG 100 Ca 0.46 1.84 -0.18 0.00 -2.50 0.00 0.00 55.73 55.35 2kkz s ARG 100 Cb 0.37 -2.80 0.07 0.00 0.06 0.00 0.00 34.95 32.64 2kkz s ARG 100 CO 0.10 -0.19 0.56 -0.51 -2.50 0.00 0.00 175.30 172.76 2kkz s ASP 101 N -1.06 6.20 0.27 -2.12 1.01 -1.26 -5.04 116.67 114.67 2kkz s ASP 101 Ca 0.54 -1.08 0.02 0.00 0.71 0.00 0.00 52.55 52.73 2kkz s ASP 101 Cb -0.31 -2.26 -0.04 0.00 1.01 0.00 0.00 42.92 41.32 2kkz s ASP 101 CO 0.39 -0.83 0.15 -1.66 0.21 0.00 0.00 175.17 173.43 2kkz s TRP 102 N 2.31 1.48 0.16 4.23 1.48 -1.26 -5.15 118.94 122.19 2kkz s TRP 102 Ca 0.11 -1.36 -0.00 0.00 -1.06 0.00 0.00 56.10 53.79 2kkz s TRP 102 Cb -0.21 -0.77 -0.04 0.00 -1.16 0.00 0.00 33.47 31.28 2kkz s TRP 102 CO 0.10 -0.55 0.06 -0.59 -4.06 0.00 0.00 176.95 171.91 2kkz s PHE 103 N -3.78 1.04 -0.10 1.66 -0.12 -1.26 -5.16 117.98 110.26 2kkz s PHE 103 Ca 0.37 -1.20 0.03 0.00 -0.05 0.00 0.00 56.93 56.08 2kkz s PHE 103 Cb 0.06 -0.58 0.00 0.00 -0.63 0.00 0.00 43.02 41.88 2kkz s PHE 103 CO 0.16 -0.45 -0.21 -1.64 -0.05 0.00 0.00 175.22 173.03 2kkz s MET 104 N -4.03 2.71 0.11 1.99 -1.94 -1.26 -4.93 119.30 111.95 2kkz s MET 104 Ca 0.27 -0.76 -0.13 0.00 -1.71 0.00 0.00 55.69 53.37 2kkz s MET 104 Cb 0.07 -2.10 -0.10 0.00 2.01 0.00 0.00 34.83 34.71 2kkz s MET 104 CO 0.05 0.11 1.39 1.25 -0.01 0.00 0.00 175.02 177.81 2kkz h LEU 105 N 6.87 0.93 -6.75 -0.03 5.85 -1.98 -3.37 115.31 116.83 2kkz h LEU 105 Ca -0.24 -0.54 -0.61 0.00 0.84 0.00 0.00 57.88 57.34 2kkz h LEU 105 Cb 1.22 -0.27 -0.41 0.00 0.37 0.00 0.00 40.66 41.57 2kkz h LEU 105 CO 0.48 1.29 -0.68 0.23 -0.34 0.00 0.00 178.44 179.42 2kkz n MET 106 N -4.05 1.56 -2.33 1.25 2.81 -1.26 -4.99 117.12 110.10 2kkz n MET 106 Ca -0.05 -4.20 -0.43 0.00 -1.81 0.00 0.00 57.70 51.22 2kkz n MET 106 Cb 0.61 -2.11 -0.02 0.00 -0.71 0.00 0.00 33.22 30.99 2kkz n MET 106 CO 0.00 0.00 0.00 -1.25 1.51 0.00 0.00 175.97 176.23 2kkz s PRO 107 N -1.32 3.68 -0.43 0.03 0.04 -1.26 -1.69 135.00 134.05 2kkz s PRO 107 Ca 0.29 1.11 -0.24 0.00 0.04 0.00 0.00 61.00 62.21 2kkz s PRO 107 Cb 0.02 -3.99 0.02 0.00 0.04 0.00 0.00 34.50 30.59 2kkz s PRO 107 CO -0.15 -1.43 0.83 0.21 0.04 0.00 0.00 177.00 176.51 2kkz s LYS 108 N 4.73 3.54 -0.32 4.56 2.20 -0.32 -4.97 119.74 129.16 2kkz s LYS 108 Ca 0.62 0.10 -0.21 0.00 -0.36 0.00 0.00 55.97 56.11 2kkz s LYS 108 Cb -0.16 -3.90 -0.00 0.00 -1.51 0.00 0.00 37.83 32.26 2kkz s LYS 108 CO 0.30 -1.08 0.68 -1.14 -0.36 0.00 0.00 175.35 173.75 2kkz s GLN 109 N 3.39 3.88 -0.01 4.03 2.00 -1.26 -2.87 119.66 128.82 2kkz s GLN 109 Ca 0.33 0.35 0.05 0.00 -2.00 0.00 0.00 55.36 54.08 2kkz s GLN 109 Cb -0.12 -3.74 -0.01 0.00 0.80 0.00 0.00 33.01 29.94 2kkz s GLN 109 CO 0.22 -0.64 -0.16 0.21 -0.50 0.00 0.00 175.29 174.42 2kkz s LYS 110 N 2.74 1.31 -0.34 1.67 2.47 -0.44 -5.05 119.74 122.10 2kkz s LYS 110 Ca 0.27 -0.59 0.03 0.00 -1.56 0.00 0.00 55.97 54.12 2kkz s LYS 110 Cb -0.15 -1.27 0.10 0.00 -1.46 0.00 0.00 37.83 35.05 2kkz s LYS 110 CO 0.13 0.35 0.07 0.08 0.16 0.00 0.00 175.35 176.14 2kkz s VAL 111 N -0.40 1.91 -0.62 4.02 1.01 -1.26 -1.08 120.40 123.98 2kkz s VAL 111 Ca 0.06 -2.14 -0.11 0.00 0.00 0.00 0.00 61.98 59.79 2kkz s VAL 111 Cb -0.06 -2.42 0.16 0.00 0.00 0.00 0.00 36.38 34.06 2kkz s VAL 111 CO -0.01 -0.63 0.52 -0.70 0.00 0.00 0.00 175.10 174.28 2kkz s GLU 112 N 1.04 2.93 7.46 2.72 2.56 0.44 -4.96 118.70 130.88 2kkz s GLU 112 Ca 0.11 -2.08 0.00 0.00 0.00 0.00 0.00 54.97 53.00 2kkz s GLU 112 Cb -0.19 -4.12 0.00 0.00 2.00 0.00 0.00 34.13 31.82 2kkz s GLU 112 CO -0.12 -1.25 0.00 0.41 -0.56 0.00 0.00 175.26 173.74 2kkz n GLY 113 N 4.48 2.63 0.35 -1.50 0.00 -1.26 -2.63 105.19 107.26 2kkz n GLY 113 Ca -0.00 -0.27 0.08 0.00 0.00 0.00 0.00 46.02 45.82 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 13.08 1.46 -4.74 1.61 -0.04 -1.26 -4.89 135.00 140.22 2kkz n PRO 114 Ca 0.00 -0.69 -0.27 0.00 -0.04 0.00 0.00 63.50 62.50 2kkz n PRO 114 Cb 0.00 -1.28 -0.14 0.00 -0.04 0.00 0.00 33.50 32.03 2kkz n PRO 114 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 2kkz s LEU 115 N -1.36 2.16 -0.29 1.53 1.43 -1.08 -1.69 118.68 119.37 2kkz s LEU 115 Ca 0.24 -0.53 -0.07 0.00 -1.03 0.00 0.00 54.13 52.75 2kkz s LEU 115 Cb 0.13 -1.05 0.00 0.00 0.03 0.00 0.00 46.19 45.29 2kkz s LEU 115 CO 0.19 0.19 0.09 0.00 0.23 0.00 0.00 176.35 177.05 2kkz s ILE 117 N 1.53 5.44 -0.08 0.00 -1.09 -0.24 -1.33 121.20 125.42 2kkz s ILE 117 Ca 0.03 0.22 -0.01 0.00 -2.23 0.00 0.00 60.65 58.67 2kkz s ILE 117 Cb -0.17 -3.46 0.03 0.00 -1.58 0.00 0.00 42.46 37.28 2kkz s ILE 117 CO 0.03 0.50 -0.02 -0.13 -1.23 0.00 0.00 174.94 174.10 2kkz s ARG 118 N -0.15 0.78 -0.06 2.79 0.52 -0.41 -1.33 118.95 121.09 2kkz s ARG 118 Ca 0.11 0.03 0.03 0.00 -0.52 0.00 0.00 55.73 55.38 2kkz s ARG 118 Cb -0.12 -1.06 0.00 0.00 0.52 0.00 0.00 34.95 34.30 2kkz s ARG 118 CO 0.01 -0.27 -0.16 0.42 0.02 0.00 0.00 175.30 175.31 2kkz s ILE 119 N 1.82 1.42 -0.25 1.52 1.01 -1.14 -1.28 121.20 124.30 2kkz s ILE 119 Ca 0.03 -0.68 -0.21 0.00 0.00 0.00 0.00 60.65 59.80 2kkz s ILE 119 Cb -0.12 -1.25 -0.02 0.00 0.01 0.00 0.00 42.46 41.08 2kkz s ILE 119 CO -0.05 0.41 0.64 -0.62 0.00 0.00 0.00 174.94 175.33 2kkz s ASP 120 N 0.32 6.60 0.00 3.58 2.15 -0.56 -1.17 116.67 127.59 2kkz s ASP 120 Ca -0.10 0.74 0.24 0.00 0.43 0.00 0.00 52.55 53.86 2kkz s ASP 120 Cb -0.14 -2.34 0.81 0.00 -0.30 0.00 0.00 42.92 40.94 2kkz s ASP 120 CO 0.04 -0.38 1.60 0.00 -0.17 0.00 0.00 175.17 176.26 2kkz n GLN 121 N 5.72 1.80 -0.03 4.34 6.02 -0.68 -3.56 117.38 130.99 2kkz n GLN 121 Ca -0.00 -1.19 -0.05 0.00 -0.01 0.00 0.00 57.00 55.75 2kkz n GLN 121 Cb 0.49 -1.44 -0.13 0.00 1.02 0.00 0.00 30.24 30.17 2kkz n GLN 121 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 2kkz n ALA 122 N 0.42 1.75 -2.48 -1.58 0.00 -1.26 -4.73 120.51 112.63 2kkz n ALA 122 Ca 0.17 -0.85 -0.40 0.00 0.00 0.00 0.00 53.44 52.36 2kkz n ALA 122 Cb 0.38 -0.67 -0.03 0.00 0.00 0.00 0.00 19.45 19.13 2kkz n ALA 122 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 2kkz s ILE 123 N -2.75 3.76 0.11 0.00 -1.09 -1.23 -4.97 121.20 115.02 2kkz s ILE 123 Ca -0.06 -0.16 0.09 0.00 -2.23 0.00 0.00 60.65 58.29 2kkz s ILE 123 Cb 0.08 -4.84 -0.04 0.00 -1.58 0.00 0.00 42.46 36.09 2kkz s ILE 123 CO 0.83 -1.76 -0.24 -0.04 -1.23 0.00 0.00 174.94 172.51 2kkz s MET 124 N 5.61 1.29 -0.84 2.79 -1.94 -1.26 -4.86 119.30 120.08 2kkz s MET 124 Ca 0.45 -1.22 -0.01 0.00 -1.71 0.00 0.00 55.69 53.20 2kkz s MET 124 Cb -0.05 -1.63 -0.01 0.00 2.01 0.00 0.00 34.83 35.15 2kkz s MET 124 CO 0.04 0.39 0.71 -3.47 -0.01 0.00 0.00 175.02 172.68 2kkz n ASP 125 N 1.11 -2.73 -4.24 3.03 2.03 -0.51 -5.01 116.55 110.23 2kkz n ASP 125 Ca -0.19 -0.46 -0.17 0.00 0.52 0.00 0.00 54.79 54.49 2kkz n ASP 125 Cb 0.53 -3.86 -0.11 0.00 -0.72 0.00 0.00 41.12 36.97 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 -4.78 1.03 -0.45 -0.67 -0.14 -1.26 -4.99 119.74 108.48 2kkz s LYS 126 Ca 0.07 -1.29 -0.18 0.00 -1.36 0.00 0.00 55.97 53.21 2kkz s LYS 126 Cb -0.01 -0.82 0.04 0.00 -1.68 0.00 0.00 37.83 35.36 2kkz s LYS 126 CO 0.53 0.14 0.52 -0.80 -0.76 0.00 0.00 175.35 174.98 2kkz s ASN 127 N -2.65 6.22 0.01 2.83 0.01 -1.26 -0.79 114.94 119.31 2kkz s ASN 127 Ca 0.11 -0.76 0.05 0.00 -0.71 0.00 0.00 52.86 51.55 2kkz s ASN 127 Cb -0.03 -2.25 -0.03 0.00 0.41 0.00 0.00 41.25 39.35 2kkz s ASN 127 CO 0.02 -0.70 -0.13 -0.63 -1.51 0.00 0.00 177.10 174.15 2kkz s ILE 128 N 2.33 3.18 -0.17 0.60 1.01 -0.46 -2.90 121.20 124.80 2kkz s ILE 128 Ca 0.14 -0.92 0.01 0.00 0.00 0.00 0.00 60.65 59.88 2kkz s ILE 128 Cb -0.18 -2.34 0.01 0.00 0.01 0.00 0.00 42.46 39.96 2kkz s ILE 128 CO 0.13 0.42 -0.18 -0.32 0.00 0.00 0.00 174.94 174.99 2kkz s MET 129 N -1.26 3.09 -0.53 2.79 1.75 -0.09 -1.61 119.30 123.44 2kkz s MET 129 Ca 0.15 -0.80 -0.19 0.00 -1.25 0.00 0.00 55.69 53.60 2kkz s MET 129 Cb -0.11 -2.58 0.07 0.00 2.84 0.00 0.00 34.83 35.05 2kkz s MET 129 CO 0.05 -0.09 0.63 -0.51 -0.65 0.00 0.00 175.02 174.45 2kkz s LEU 130 N 1.05 5.14 -0.02 4.11 1.43 -0.22 -1.57 118.68 128.59 2kkz s LEU 130 Ca -0.01 -1.09 0.07 0.00 -1.03 0.00 0.00 54.13 52.06 2kkz s LEU 130 Cb -0.14 -2.39 -0.02 0.00 0.03 0.00 0.00 46.19 43.67 2kkz s LEU 130 CO -0.06 -0.94 -0.23 -0.54 0.23 0.00 0.00 176.35 174.82 2kkz s LYS 131 N 2.57 2.17 0.07 1.70 1.02 -0.38 -0.49 119.74 126.40 2kkz s LYS 131 Ca 0.13 -0.90 0.02 0.00 0.02 0.00 0.00 55.97 55.25 2kkz s LYS 131 Cb -0.21 -2.12 -0.03 0.00 -0.52 0.00 0.00 37.83 34.94 2kkz s LYS 131 CO 0.10 0.57 -0.08 0.00 -0.92 0.00 0.00 175.35 175.02 2kkz s ALA 132 N -0.68 0.78 -0.18 5.17 0.00 -1.26 -1.24 121.76 124.35 2kkz s ALA 132 Ca 0.11 -1.02 -0.05 0.00 0.00 0.00 0.00 51.96 51.00 2kkz s ALA 132 Cb -0.10 0.08 -0.03 0.00 0.00 0.00 0.00 23.12 23.07 2kkz s ALA 132 CO 0.00 -0.10 -0.01 -0.80 0.00 0.00 0.00 175.76 174.86 2kkz s ASN 133 N -2.19 4.93 0.13 0.00 -0.87 -0.04 -1.74 114.94 115.16 2kkz s ASN 133 Ca -0.01 -0.13 -0.19 0.00 -1.57 0.00 0.00 52.86 50.96 2kkz s ASN 133 Cb -0.04 -1.83 0.05 0.00 -0.02 0.00 0.00 41.25 39.41 2kkz s ASN 133 CO -0.02 0.12 0.48 0.72 -2.57 0.00 0.00 177.10 175.84 2kkz s PHE 134 N 0.64 -0.34 0.55 2.20 -0.71 -0.60 -0.95 117.98 118.77 2kkz s PHE 134 Ca -0.01 0.09 -0.06 0.00 -1.04 0.00 0.00 56.93 55.92 2kkz s PHE 134 Cb -0.14 0.38 -0.01 0.00 -1.21 0.00 0.00 43.02 42.04 2kkz s PHE 134 CO 0.02 -0.75 0.87 0.45 -1.34 0.00 0.00 175.22 174.47 2kkz s SER 135 N -2.72 5.86 -0.03 1.98 0.15 -0.47 -0.71 113.70 117.76 2kkz s SER 135 Ca 0.02 0.83 0.01 0.00 0.70 0.00 0.00 55.95 57.51 2kkz s SER 135 Cb 0.01 -1.94 0.01 0.00 -1.71 0.00 0.00 66.02 62.39 2kkz s SER 135 CO -0.12 -0.88 -0.05 -0.69 1.20 0.00 0.00 173.24 172.70 2kkz s VAL 136 N -2.91 0.48 -0.06 4.45 1.01 0.14 -1.03 120.40 122.48 2kkz s VAL 136 Ca 0.52 -0.16 -0.13 0.00 0.00 0.00 0.00 61.98 62.21 2kkz s VAL 136 Cb -0.10 -0.48 0.02 0.00 0.00 0.00 0.00 36.38 35.82 2kkz s VAL 136 CO 0.46 0.18 0.30 -0.51 0.00 0.00 0.00 175.10 175.53 2kkz s ILE 137 N 0.49 0.04 -1.71 2.22 1.10 -0.57 -2.77 121.20 120.00 2kkz s ILE 137 Ca -0.06 -0.29 -0.00 0.00 -0.51 0.00 0.00 60.65 59.78 2kkz s ILE 137 Cb -0.10 -0.53 0.00 0.00 0.15 0.00 0.00 42.46 41.98 2kkz s ILE 137 CO -0.00 -0.16 0.06 0.49 -2.11 0.00 0.00 174.94 173.21 2kkz n PHE 138 N 1.97 -1.12 -1.38 3.50 3.72 -1.26 -1.67 117.46 121.21 2kkz n PHE 138 Ca -0.18 0.05 -0.13 0.00 -0.05 0.00 0.00 57.45 57.14 2kkz n PHE 138 Cb 0.57 -3.93 -0.06 0.00 -0.94 0.00 0.00 39.48 35.12 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 -2.05 -5.10 -4.34 4.37 9.92 -1.26 -4.98 116.55 113.11 2kkz n ASP 139 Ca -0.23 0.32 -0.26 0.00 -0.53 0.00 0.00 54.79 54.10 2kkz n ASP 139 Cb 0.68 -3.74 -0.09 0.00 -0.64 0.00 0.00 41.12 37.32 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 -3.01 1.89 0.01 -1.24 1.70 -0.67 -4.81 118.95 112.82 2kkz s ARG 140 Ca 0.00 -2.14 -0.30 0.00 -0.47 0.00 0.00 55.73 52.82 2kkz s ARG 140 Cb 0.00 -0.88 -0.07 0.00 -0.57 0.00 0.00 34.95 33.43 2kkz s ARG 140 CO 0.00 -0.36 1.57 -1.17 -1.08 0.00 0.00 175.30 174.27 2kkz s LEU 141 N -3.62 4.33 0.00 -1.89 0.20 -0.60 -1.51 118.68 115.60 2kkz s LEU 141 Ca 0.25 2.29 0.00 0.00 0.69 0.00 0.00 54.13 57.36 2kkz s LEU 141 Cb 0.04 -3.55 0.00 0.00 -0.43 0.00 0.00 46.19 42.25 2kkz s LEU 141 CO 0.13 -0.85 0.00 1.21 -0.29 0.00 0.00 176.35 176.55 2kkz n GLU 142 N 6.02 0.00 -3.71 1.98 2.13 -0.20 -4.20 120.64 122.65 2kkz n GLU 142 Ca 0.15 0.42 -0.12 0.00 0.66 0.00 0.00 57.16 58.27 2kkz n GLU 142 Cb 0.42 -0.92 -0.12 0.00 0.27 0.00 0.00 31.44 31.09 2kkz n GLU 142 CO 0.00 0.00 0.00 0.99 -0.41 0.00 0.00 177.13 177.71 2kkz s THR 143 N -0.98 -0.06 0.18 6.31 2.01 -1.24 -3.35 115.64 118.51 2kkz s THR 143 Ca 0.00 0.14 -0.30 0.00 0.31 0.00 0.00 61.69 61.84 2kkz s THR 143 Cb 0.00 -0.45 -0.08 0.00 0.01 0.00 0.00 72.50 71.98 2kkz s THR 143 CO 0.00 0.06 1.22 -0.22 -0.69 0.00 0.00 174.62 174.99 2kkz s LEU 144 N 1.38 4.44 -0.22 4.42 2.96 -1.26 -1.37 118.68 129.02 2kkz s LEU 144 Ca -0.09 2.25 -0.07 0.00 -0.22 0.00 0.00 54.13 56.00 2kkz s LEU 144 Cb -0.10 -3.61 -0.19 0.00 0.50 0.00 0.00 46.19 42.80 2kkz s LEU 144 CO -0.10 -0.41 -0.05 -0.38 -1.32 0.00 0.00 176.35 174.10 2kkz n ILE 145 N 2.64 1.58 -3.59 6.68 5.41 -0.12 -4.78 119.36 127.18 2kkz n ILE 145 Ca 0.05 -0.48 -0.10 0.00 1.00 0.00 0.00 62.75 63.22 2kkz n ILE 145 Cb 0.44 -1.68 -0.05 0.00 -0.71 0.00 0.00 39.64 37.64 2kkz n ILE 145 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 176.55 176.33 2kkz s LEU 146 N -7.05 -0.35 0.02 1.39 2.96 -0.88 -4.51 118.68 110.25 2kkz s LEU 146 Ca -0.32 0.41 0.02 0.00 -0.22 0.00 0.00 54.13 54.02 2kkz s LEU 146 Cb 0.09 1.81 -0.01 0.00 0.50 0.00 0.00 46.19 48.57 2kkz s LEU 146 CO 0.62 -0.30 -0.06 -0.22 -1.32 0.00 0.00 176.35 175.06 2kkz s LEU 147 N -0.98 2.13 -0.00 -0.68 0.20 -0.45 -0.86 118.68 118.03 2kkz s LEU 147 Ca -0.01 -0.32 -0.04 0.00 0.69 0.00 0.00 54.13 54.46 2kkz s LEU 147 Cb -0.01 -0.22 -0.00 0.00 -0.43 0.00 0.00 46.19 45.53 2kkz s LEU 147 CO 0.00 -0.07 0.07 -0.13 -0.29 0.00 0.00 176.35 175.93 2kkz s ARG 148 N -0.84 0.31 -0.26 1.98 0.52 -0.37 -1.13 118.95 119.16 2kkz s ARG 148 Ca -0.04 -0.30 -0.07 0.00 -0.52 0.00 0.00 55.73 54.81 2kkz s ARG 148 Cb -0.06 0.12 -0.02 0.00 0.52 0.00 0.00 34.95 35.52 2kkz s ARG 148 CO 0.00 -0.06 0.05 0.00 0.02 0.00 0.00 175.30 175.31 2kkz s ALA 149 N -0.95 3.07 -0.16 2.13 0.00 -0.49 -1.25 121.76 124.12 2kkz s ALA 149 Ca -0.10 -1.22 -0.03 0.00 0.00 0.00 0.00 51.96 50.61 2kkz s ALA 149 Cb -0.06 -2.03 -0.02 0.00 0.00 0.00 0.00 23.12 21.01 2kkz s ALA 149 CO 0.00 -0.59 -0.05 -0.06 0.00 0.00 0.00 175.76 175.06 2kkz s PHE 150 N 1.56 2.98 1.06 0.00 0.40 -0.61 -1.08 117.98 122.29 2kkz s PHE 150 Ca 0.05 -0.42 -0.18 0.00 -0.60 0.00 0.00 56.93 55.78 2kkz s PHE 150 Cb -0.15 -1.95 0.25 0.00 0.51 0.00 0.00 43.02 41.67 2kkz s PHE 150 CO 0.02 -0.12 1.27 0.95 0.70 0.00 0.00 175.22 178.05 2kkz s THR 151 N 0.47 1.85 0.55 0.64 -4.23 -0.54 -0.92 115.64 113.47 2kkz s THR 151 Ca -0.05 0.00 0.40 0.00 -1.18 0.00 0.00 61.69 60.86 2kkz s THR 151 Cb -0.15 -2.84 0.42 0.00 1.34 0.00 0.00 72.50 71.27 2kkz s THR 151 CO 0.03 0.00 2.28 -0.33 -0.54 0.00 0.00 174.62 176.06 2kkz h GLU 152 N -2.04 0.00 -0.00 3.99 5.08 -1.88 -0.57 114.58 119.16 2kkz h GLU 152 Ca -0.44 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.92 2kkz h GLU 152 Cb 1.24 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.49 2kkz h GLU 152 CO 0.32 0.01 -0.02 0.39 -1.00 0.00 0.00 179.01 178.71 2kkz n GLU 153 N -3.22 1.02 -1.28 2.33 1.02 -1.26 -4.91 120.64 114.34 2kkz n GLU 153 Ca -0.02 -0.25 -0.10 0.00 -0.02 0.00 0.00 57.16 56.77 2kkz n GLU 153 Cb 0.12 -1.49 -0.04 0.00 -0.02 0.00 0.00 31.44 30.01 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 1.12 1.09 3.72 0.62 0.00 -0.22 -5.00 105.19 106.51 2kkz n GLY 154 Ca 0.20 -0.41 -0.38 0.00 0.00 0.00 0.00 46.02 45.44 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 -2.26 3.50 -0.50 4.61 0.00 -1.26 -4.78 121.76 121.08 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 -2.62 0.03 0.00 0.00 0.00 0.00 23.12 20.53 2kkz s ALA 155 CO 0.00 -0.02 1.15 0.42 0.00 0.00 0.00 175.76 177.31 2kkz s ILE 156 N 0.69 4.16 -0.42 0.00 1.01 -1.26 -1.46 121.20 123.92 2kkz s ILE 156 Ca 0.24 1.16 0.03 0.00 0.00 0.00 0.00 60.65 62.08 2kkz s ILE 156 Cb -0.15 -4.63 0.02 0.00 0.01 0.00 0.00 42.46 37.72 2kkz s ILE 156 CO 0.09 -1.08 0.58 1.33 0.00 0.00 0.00 174.94 175.87 2kkz n VAL 157 N 6.83 0.00 -3.87 2.92 0.24 -0.24 -4.78 118.33 119.42 2kkz n VAL 157 Ca 0.11 -0.50 -0.10 0.00 -2.04 0.00 0.00 64.34 61.82 2kkz n VAL 157 Cb 0.49 1.07 -0.06 0.00 -1.47 0.00 0.00 33.84 33.87 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 -0.35 0.25 -0.21 7.63 0.00 -1.20 -1.50 107.32 111.94 2kkz s GLY 158 Ca 0.04 -0.63 -0.27 0.00 0.00 0.00 0.00 44.72 43.85 2kkz s GLY 158 CO 0.05 -0.64 0.91 1.85 0.00 0.00 0.00 173.10 175.27 2kkz s GLU 159 N -3.92 0.68 -0.30 2.90 2.12 -0.41 -1.39 118.70 118.38 2kkz s GLU 159 Ca 0.13 0.49 0.01 0.00 0.36 0.00 0.00 54.97 55.96 2kkz s GLU 159 Cb 0.02 0.32 0.09 0.00 0.26 0.00 0.00 34.13 34.82 2kkz s GLU 159 CO -0.02 -0.14 0.04 0.42 -0.54 0.00 0.00 175.26 175.02 2kkz s ILE 160 N -0.35 1.43 -0.33 -3.70 1.01 -0.28 -1.29 121.20 117.69 2kkz s ILE 160 Ca -0.01 -1.60 -0.08 0.00 0.00 0.00 0.00 60.65 58.96 2kkz s ILE 160 Cb -0.03 -1.97 0.02 0.00 0.01 0.00 0.00 42.46 40.49 2kkz s ILE 160 CO -0.00 -0.50 0.13 -0.55 0.00 0.00 0.00 174.94 174.03 2kkz s SER 161 N 1.36 5.41 0.17 3.58 0.15 -0.44 -1.34 113.70 122.59 2kkz s SER 161 Ca 0.06 -0.85 -0.32 0.00 0.70 0.00 0.00 55.95 55.54 2kkz s SER 161 Cb -0.18 -1.94 -0.12 0.00 -1.71 0.00 0.00 66.02 62.07 2kkz s SER 161 CO -0.15 -0.28 1.74 -0.81 1.20 0.00 0.00 173.24 174.95 2kkz n PRO 162 N 4.91 2.67 -2.00 5.44 -0.04 -1.26 -1.39 135.00 143.33 2kkz n PRO 162 Ca -0.13 0.97 -0.42 0.00 -0.04 0.00 0.00 63.50 63.87 2kkz n PRO 162 Cb 0.47 -2.82 -0.03 0.00 -0.04 0.00 0.00 33.50 31.08 2kkz n PRO 162 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 2kkz s LEU 163 N 1.69 4.36 0.00 1.53 1.43 -0.68 -4.91 118.68 122.10 2kkz s LEU 163 Ca 0.78 2.48 0.14 0.00 -1.03 0.00 0.00 54.13 56.50 2kkz s LEU 163 Cb -0.53 -3.58 0.62 0.00 0.03 0.00 0.00 46.19 42.73 2kkz s LEU 163 CO 0.35 -0.81 1.43 -0.81 0.23 0.00 0.00 176.35 176.74 2kkz n PRO 164 N 4.61 0.05 0.09 1.29 -0.04 -1.26 -1.56 135.00 138.17 2kkz n PRO 164 Ca 0.14 0.24 0.11 0.00 -0.04 0.00 0.00 63.50 63.95 2kkz n PRO 164 Cb 0.40 -1.50 0.44 0.00 -0.04 0.00 0.00 33.50 32.80 2kkz n PRO 164 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 2kkz n SER 165 N -1.45 0.47 -4.04 3.54 3.41 -1.26 -4.56 113.62 109.73 2kkz n SER 165 Ca 0.04 0.60 -0.32 0.00 -0.26 0.00 0.00 58.87 58.94 2kkz n SER 165 Cb 0.15 -0.71 -0.16 0.00 -0.26 0.00 0.00 64.21 63.24 2kkz n SER 165 CO 0.00 0.00 0.00 -0.36 -0.16 0.00 0.00 175.04 174.52 2kkz s PHE 166 N -3.19 2.84 0.41 7.33 0.40 -0.60 -5.03 117.98 120.14 2kkz s PHE 166 Ca 0.06 -1.93 0.13 0.00 -0.60 0.00 0.00 56.93 54.59 2kkz s PHE 166 Cb 0.10 -1.80 0.98 0.00 0.51 0.00 0.00 43.02 42.81 2kkz s PHE 166 CO 0.39 -0.82 1.95 -1.35 0.70 0.00 0.00 175.22 176.10 2kkz h PRO 167 N 7.88 0.47 0.00 0.24 0.11 -1.81 -3.44 132.00 135.45 2kkz h PRO 167 Ca -0.26 -0.03 0.04 0.00 0.11 0.00 0.00 66.00 65.86 2kkz h PRO 167 Cb 1.08 -0.11 -0.00 0.00 0.11 0.00 0.00 31.00 32.08 2kkz h PRO 167 CO 0.49 0.31 0.38 0.41 -0.21 0.00 0.00 178.00 179.38 2kkz n GLY 168 N -1.50 0.88 2.07 -0.55 0.00 -1.26 -5.10 105.19 99.72 2kkz n GLY 168 Ca 0.12 -1.20 -0.07 0.00 0.00 0.00 0.00 46.02 44.87 2kkz n GLY 168 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 173.32 170.93 2kkz n HIS 169 N -0.57 -1.33 -4.12 1.61 1.44 -1.26 -5.06 115.22 105.92 2kkz n HIS 169 Ca -0.06 -1.27 -0.24 0.00 -2.01 0.00 0.00 57.72 54.15 2kkz n HIS 169 Cb 0.55 0.41 -0.05 0.00 0.12 0.00 0.00 29.99 31.02 2kkz n HIS 169 CO 0.00 0.00 0.00 0.99 -2.81 0.00 0.00 176.34 174.52 2kkz s THR 170 N -2.59 4.35 0.33 0.61 2.01 -1.26 -4.50 115.64 114.59 2kkz s THR 170 Ca 0.14 -1.34 0.11 0.00 0.31 0.00 0.00 61.69 60.90 2kkz s THR 170 Cb -0.01 -3.30 0.32 0.00 0.01 0.00 0.00 72.50 69.51 2kkz s THR 170 CO 0.10 -0.27 1.73 -0.29 -0.69 0.00 0.00 174.62 175.20 2kkz h ILE 171 N 1.74 0.52 -0.33 1.82 2.10 -1.72 -2.57 117.51 119.06 2kkz h ILE 171 Ca -0.48 -0.19 -0.04 0.00 1.08 0.00 0.00 64.86 65.23 2kkz h ILE 171 Cb 1.23 -0.08 -0.02 0.00 -1.09 0.00 0.00 36.82 36.86 2kkz h ILE 171 CO 0.61 0.10 0.02 -0.33 -1.08 0.00 0.00 178.15 177.47 2kkz h GLU 172 N 0.55 0.50 -0.44 2.19 4.39 -1.93 -1.71 114.58 118.12 2kkz h GLU 172 Ca 0.65 -0.10 -0.09 0.00 0.34 0.00 0.00 59.36 60.17 2kkz h GLU 172 Cb 1.28 -0.08 -0.02 0.00 -0.10 0.00 0.00 28.75 29.84 2kkz h GLU 172 CO -0.48 0.51 -0.07 -0.44 -1.16 0.00 0.00 179.01 177.37 2kkz h ASP 173 N 0.48 0.75 -0.01 1.42 5.19 -1.86 -2.77 116.42 119.63 2kkz h ASP 173 Ca 0.11 -0.21 -0.12 0.00 -0.62 0.00 0.00 57.03 56.19 2kkz h ASP 173 Cb 0.29 -0.20 -0.01 0.00 0.18 0.00 0.00 39.33 39.58 2kkz h ASP 173 CO 0.01 0.87 -0.35 0.58 -3.12 0.00 0.00 179.24 177.22 2kkz h VAL 174 N 0.71 1.29 -0.61 -1.35 2.07 -1.35 -1.44 116.25 115.56 2kkz h VAL 174 Ca 0.13 -1.46 -0.06 0.00 0.82 0.00 0.00 66.70 66.13 2kkz h VAL 174 Cb 0.54 1.49 -0.03 0.00 -1.52 0.00 0.00 31.29 31.77 2kkz h VAL 174 CO 0.03 0.46 0.14 0.11 0.02 0.00 0.00 177.57 178.33 2kkz h LYS 175 N 0.42 0.96 -0.23 1.57 1.57 -1.20 -0.75 116.57 118.92 2kkz h LYS 175 Ca 0.05 -0.22 -0.01 0.00 -1.87 0.00 0.00 60.65 58.60 2kkz h LYS 175 Cb 0.81 -0.13 -0.01 0.00 0.08 0.00 0.00 32.23 32.97 2kkz h LYS 175 CO 0.07 0.86 0.09 -0.91 -0.57 0.00 0.00 179.45 178.99 2kkz h ASN 176 N 0.92 0.31 -0.12 0.86 2.35 -1.29 -1.83 115.58 116.79 2kkz h ASN 176 Ca 0.20 -0.16 0.00 0.00 -0.55 0.00 0.00 56.30 55.78 2kkz h ASN 176 Cb 0.34 -0.08 -0.01 0.00 0.05 0.00 0.00 38.32 38.63 2kkz h ASN 176 CO 0.00 0.39 0.08 0.00 -1.65 0.00 0.00 177.43 176.25 2kkz h ALA 177 N 0.94 0.15 -0.47 -0.83 0.00 -0.92 -0.02 119.26 118.11 2kkz h ALA 177 Ca 0.08 -0.02 -0.11 0.00 0.00 0.00 0.00 54.91 54.85 2kkz h ALA 177 Cb 0.17 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 17.90 2kkz h ALA 177 CO -0.01 -0.35 -0.16 0.82 0.00 0.00 0.00 179.25 179.55 2kkz h ILE 178 N 0.15 1.27 -0.01 0.00 2.04 -1.20 -1.31 117.51 118.44 2kkz h ILE 178 Ca 0.04 -1.29 -0.03 0.00 1.00 0.00 0.00 64.86 64.58 2kkz h ILE 178 Cb 0.00 1.08 -0.01 0.00 -0.74 0.00 0.00 36.82 37.15 2kkz h ILE 178 CO -0.01 0.45 -0.16 1.23 0.00 0.00 0.00 178.15 179.66 2kkz h GLY 179 N 0.94 0.01 0.83 5.37 0.00 -0.94 -0.18 103.07 109.10 2kkz h GLY 179 Ca 0.12 -0.01 -0.17 0.00 0.00 0.00 0.00 47.33 47.27 2kkz h GLY 179 CO 0.05 0.00 -0.69 -2.08 0.00 0.00 0.00 176.54 173.82 2kkz h VAL 180 N 0.01 1.42 -0.25 4.60 2.07 -0.72 -0.75 116.25 122.62 2kkz h VAL 180 Ca 0.00 -2.17 0.04 0.00 0.82 0.00 0.00 66.70 65.39 2kkz h VAL 180 Cb 0.29 2.66 -0.04 0.00 -1.52 0.00 0.00 31.29 32.68 2kkz h VAL 180 CO 0.02 0.63 0.02 0.25 0.02 0.00 0.00 177.57 178.52 2kkz h LEU 181 N -0.08 -0.05 0.21 2.57 5.85 -0.95 -0.91 115.31 121.95 2kkz h LEU 181 Ca -0.09 0.05 -0.01 0.00 0.84 0.00 0.00 57.88 58.67 2kkz h LEU 181 Cb 1.41 0.08 0.00 0.00 0.37 0.00 0.00 40.66 42.52 2kkz h LEU 181 CO 0.14 0.01 -0.10 0.40 -0.34 0.00 0.00 178.44 178.54 2kkz h ILE 182 N 0.11 0.83 -0.82 4.05 2.04 -1.13 -2.21 117.51 120.37 2kkz h ILE 182 Ca 0.12 -0.16 0.12 0.00 1.00 0.00 0.00 64.86 65.95 2kkz h ILE 182 Cb 0.14 0.93 -0.06 0.00 -0.74 0.00 0.00 36.82 37.09 2kkz h ILE 182 CO -0.18 0.04 0.53 1.23 0.00 0.00 0.00 178.15 179.77 2kkz h GLY 183 N -0.35 1.02 1.06 5.37 0.00 -0.86 0.28 103.07 109.60 2kkz h GLY 183 Ca -0.03 -0.27 -0.19 0.00 0.00 0.00 0.00 47.33 46.84 2kkz h GLY 183 CO 0.05 0.12 -0.65 -1.33 0.00 0.00 0.00 176.54 174.73 2kkz h GLY 184 N 0.64 0.78 2.00 4.60 0.00 -1.15 -3.17 103.07 106.78 2kkz h GLY 184 Ca 0.40 -1.07 0.00 0.00 0.00 0.00 0.00 47.33 46.65 2kkz h GLY 184 CO -0.16 0.96 0.00 1.41 0.00 0.00 0.00 176.54 178.75 2kkz h LEU 185 N 0.40 0.00 -0.37 3.11 3.38 -0.43 -0.99 115.31 120.42 2kkz h LEU 185 Ca -0.04 0.00 -0.17 0.00 0.09 0.00 0.00 57.88 57.76 2kkz h LEU 185 Cb 1.28 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 42.03 2kkz h LEU 185 CO 0.14 0.00 -0.50 -0.33 0.09 0.00 0.00 178.44 177.84 2kkz h GLU 186 N 0.00 0.84 0.05 1.13 4.39 -0.50 -0.10 114.58 120.40 2kkz h GLU 186 Ca 0.00 -0.51 -0.24 0.00 0.34 0.00 0.00 59.36 58.96 2kkz h GLU 186 Cb 0.40 0.05 -0.00 0.00 -0.10 0.00 0.00 28.75 29.10 2kkz h GLU 186 CO 0.00 1.14 -1.05 0.00 -1.16 0.00 0.00 179.01 177.94 2kkz h ARG 187 N 0.66 0.28 0.00 2.33 2.47 -1.41 -2.59 114.38 116.13 2kkz h ARG 187 Ca 0.03 -0.38 0.00 0.00 -1.26 0.00 0.00 59.98 58.37 2kkz h ARG 187 Cb 1.09 0.13 0.00 0.00 -1.65 0.00 0.00 29.97 29.54 2kkz h ARG 187 CO 0.11 1.11 0.00 0.09 0.56 0.00 0.00 179.97 181.85 2kkz n ASN 188 N -3.62 0.55 -3.20 7.04 4.13 -0.44 -4.97 115.26 114.76 2kkz n ASN 188 Ca -0.06 0.61 -0.07 0.00 1.68 0.00 0.00 54.58 56.74 2kkz n ASN 188 Cb 0.91 -0.74 0.02 0.00 -1.54 0.00 0.00 39.78 38.43 2kkz n ASN 188 CO 0.00 0.00 0.00 -0.67 0.28 0.00 0.00 177.26 176.87 2kkz n ASP 189 N -2.08 -7.18 -4.19 6.41 2.03 -0.21 -3.80 116.55 107.52 2kkz n ASP 189 Ca 0.03 -0.32 -0.26 0.00 0.52 0.00 0.00 54.79 54.75 2kkz n ASP 189 Cb 0.27 -4.85 -0.16 0.00 -0.72 0.00 0.00 41.12 35.66 2kkz n ASP 189 CO 0.00 0.00 0.00 0.20 -1.92 0.00 0.00 177.20 175.48 2kkz s ASN 190 N -3.10 2.30 -0.67 1.67 0.01 -0.28 -1.42 114.94 113.45 2kkz s ASN 190 Ca 0.11 -0.36 -0.27 0.00 -0.71 0.00 0.00 52.86 51.63 2kkz s ASN 190 Cb -0.02 -0.32 0.03 0.00 0.41 0.00 0.00 41.25 41.34 2kkz s ASN 190 CO 0.77 0.23 1.27 -0.89 -1.51 0.00 0.00 177.10 176.97 2kkz s THR 191 N -0.38 3.82 0.05 1.60 2.01 0.03 -4.67 115.64 118.09 2kkz s THR 191 Ca 0.06 0.59 0.03 0.00 0.31 0.00 0.00 61.69 62.68 2kkz s THR 191 Cb -0.08 -4.80 -0.04 0.00 0.01 0.00 0.00 72.50 67.59 2kkz s THR 191 CO -0.00 -1.62 0.02 0.68 -0.69 0.00 0.00 174.62 173.01 2kkz s VAL 192 N 5.57 4.20 -0.00 3.82 -7.23 -1.26 -1.35 120.40 124.14 2kkz s VAL 192 Ca 0.40 -0.76 0.02 0.00 -1.81 0.00 0.00 61.98 59.82 2kkz s VAL 192 Cb -0.08 -2.95 -0.00 0.00 0.56 0.00 0.00 36.38 33.90 2kkz s VAL 192 CO 0.19 0.24 -0.05 -0.60 -0.31 0.00 0.00 175.10 174.57 2kkz s ARG 193 N -1.98 0.45 0.37 4.82 3.52 -0.63 -4.96 118.95 120.52 2kkz s ARG 193 Ca 0.24 -0.19 -0.07 0.00 -0.13 0.00 0.00 55.73 55.58 2kkz s ARG 193 Cb -0.12 -0.43 -0.05 0.00 -1.56 0.00 0.00 34.95 32.79 2kkz s ARG 193 CO 0.15 0.12 0.67 0.08 -0.81 0.00 0.00 175.30 175.51 2kkz s VAL 194 N -0.12 4.93 0.68 7.11 1.01 -1.26 -1.06 120.40 131.68 2kkz s VAL 194 Ca 0.02 0.24 -0.17 0.00 0.00 0.00 0.00 61.98 62.08 2kkz s VAL 194 Cb -0.02 -3.76 -0.01 0.00 0.00 0.00 0.00 36.38 32.58 2kkz s VAL 194 CO -0.00 -0.50 0.98 -0.24 0.00 0.00 0.00 175.10 175.34 2kkz n SER 195 N -1.35 0.65 -0.21 3.32 2.88 0.36 -4.75 113.62 114.52 2kkz n SER 195 Ca -0.00 0.72 -0.02 0.00 -1.33 0.00 0.00 58.87 58.24 2kkz n SER 195 Cb 0.54 -1.41 0.08 0.00 -0.75 0.00 0.00 64.21 62.68 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 0.05 0.59 -0.04 -1.46 6.56 -1.97 0.71 116.57 121.00 2kkz h LYS 196 Ca -0.48 -0.04 -0.01 0.00 -1.06 0.00 0.00 60.65 59.07 2kkz h LYS 196 Cb 1.35 -0.13 -0.00 0.00 -0.57 0.00 0.00 32.23 32.87 2kkz h LYS 196 CO 0.49 0.39 0.00 1.79 -2.06 0.00 0.00 179.45 180.06 2kkz h THR 197 N 0.61 1.24 -0.43 -0.16 1.35 -1.98 -3.17 112.91 110.36 2kkz h THR 197 Ca 0.27 -0.72 -0.03 0.00 -0.55 0.00 0.00 66.41 65.39 2kkz h THR 197 Cb 0.18 1.63 -0.02 0.00 -1.73 0.00 0.00 68.15 68.21 2kkz h THR 197 CO -0.18 0.19 0.14 -0.07 -0.25 0.00 0.00 175.52 175.35 2kkz h LEU 198 N -0.20 0.57 -1.39 3.87 3.38 -1.81 0.35 115.31 120.07 2kkz h LEU 198 Ca 0.01 -0.07 -0.03 0.00 0.09 0.00 0.00 57.88 57.88 2kkz h LEU 198 Cb 0.31 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 40.89 2kkz h LEU 198 CO 0.00 0.55 0.10 1.56 0.09 0.00 0.00 178.44 180.73 2kkz h GLN 199 N 0.61 0.50 0.00 1.13 4.20 -0.84 -0.12 115.11 120.60 2kkz h GLN 199 Ca 0.15 -0.07 -0.29 0.00 0.06 0.00 0.00 58.65 58.49 2kkz h GLN 199 Cb 0.18 -0.09 -0.06 0.00 0.30 0.00 0.00 27.48 27.82 2kkz h GLN 199 CO -0.01 0.46 -2.10 2.89 -0.67 0.00 0.00 178.83 179.39 2kkz n ARG 200 N -4.36 1.33 0.08 1.46 -4.01 -1.05 -0.23 116.66 109.89 2kkz n ARG 200 Ca 0.02 -0.00 -0.10 0.00 -1.04 0.00 0.00 57.85 56.73 2kkz n ARG 200 Cb 0.17 -1.41 -0.03 0.00 -3.04 0.00 0.00 32.46 28.15 2kkz n ARG 200 CO 0.00 0.00 0.00 0.74 -3.04 0.00 0.00 177.63 175.33 2kkz h PHE 201 N 0.00 0.36 0.00 2.89 0.04 -0.94 -3.27 116.94 116.02 2kkz h PHE 201 Ca -0.44 -0.20 0.00 0.00 2.80 0.00 0.00 57.97 60.13 2kkz h PHE 201 Cb 1.97 -0.04 0.00 0.00 2.20 0.00 0.00 35.95 40.09 2kkz h PHE 201 CO 0.00 1.03 -0.17 0.00 -0.60 0.00 0.00 178.31 178.57 2kkz n ALA 202 N -2.48 3.00 1.13 2.45 0.00 -0.68 -1.55 120.51 122.37 2kkz n ALA 202 Ca -0.04 0.00 0.12 0.00 0.00 0.00 0.00 53.44 53.52 2kkz n ALA 202 Cb 0.83 0.28 0.62 0.00 0.00 0.00 0.00 19.45 21.18 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 -3.40 0.00 -2.79 0.00 -0.00 -0.14 -2.76 117.44 108.35 2kkz n TRP 203 Ca 0.00 0.00 -0.02 0.00 -0.00 0.00 0.00 57.50 57.48 2kkz n TRP 203 Cb 0.09 -0.34 0.06 0.00 -0.00 0.00 0.00 31.31 31.12 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 0.94 1.78 0.00 5.87 0.00 0.69 -4.80 105.19 109.67 2kkz n GLY 204 Ca 0.11 -0.91 0.00 0.00 0.00 0.00 0.00 46.02 45.22 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 -0.70 2.87 0.10 1.61 2.88 -1.11 -4.76 113.62 114.51 2kkz n SER 205 Ca 0.03 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.57 2kkz n SER 205 Cb 0.82 0.35 0.00 0.00 -0.75 0.00 0.00 64.21 64.63 2kkz n SER 205 CO 0.00 0.00 0.00 -1.54 -1.23 0.00 0.00 175.04 172.27 2kkz n SER 206 N -1.25 -0.88 -1.50 -3.46 3.41 -1.25 -5.06 113.62 103.64 2kkz n SER 206 Ca 0.00 0.35 -0.19 0.00 -0.26 0.00 0.00 58.87 58.77 2kkz n SER 206 Cb 0.22 0.98 -0.08 0.00 -0.26 0.00 0.00 64.21 65.08 2kkz n SER 206 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 2kkz n ASN 207 N -3.02 -5.28 -3.61 4.04 4.13 -1.26 -4.95 115.26 105.31 2kkz n ASN 207 Ca 0.00 0.43 -0.21 0.00 1.68 0.00 0.00 54.58 56.48 2kkz n ASN 207 Cb 0.00 -4.43 -0.05 0.00 -1.54 0.00 0.00 39.78 33.76 2kkz n ASN 207 CO 0.00 0.00 0.00 -1.84 0.28 0.00 0.00 177.26 175.70 2kkz n GLU 208 N -2.48 1.03 0.20 3.52 0.28 -1.26 -5.04 120.64 116.90 2kkz n GLU 208 Ca -0.19 -2.47 0.07 0.00 -0.16 0.00 0.00 57.16 54.41 2kkz n GLU 208 Cb 0.62 0.84 0.58 0.00 1.43 0.00 0.00 31.44 34.92 2kkz n GLU 208 CO 0.00 0.00 0.00 -0.91 -0.16 0.00 0.00 177.13 176.06 2kkz h ASN 209 N 0.91 0.09 0.00 -1.84 4.21 -1.99 -3.47 115.58 113.49 2kkz h ASN 209 Ca -0.27 -0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.24 2kkz h ASN 209 Cb 0.85 -0.02 0.00 0.00 -1.12 0.00 0.00 38.32 38.03 2kkz h ASN 209 CO 0.44 0.09 0.00 0.61 -1.29 0.00 0.00 177.43 177.28 2kkz n GLY 210 N -1.47 1.70 2.11 2.83 0.00 -1.26 -4.93 105.19 104.16 2kkz n GLY 210 Ca -0.02 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 45.99 2kkz n GLY 210 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2kkz n ARG 211 N -0.62 -3.88 -1.73 1.61 5.12 -1.26 -4.87 116.66 111.04 2kkz n ARG 211 Ca 0.00 2.95 -0.43 0.00 -1.93 0.00 0.00 57.85 58.44 2kkz n ARG 211 Cb 0.00 -3.83 -0.03 0.00 -1.16 0.00 0.00 32.46 27.44 2kkz n ARG 211 CO 0.00 0.00 0.00 -1.25 -1.93 0.00 0.00 177.63 174.45 2kkz s PRO 212 N -0.90 3.34 -0.60 5.56 0.04 -1.26 -4.87 135.00 136.31 2kkz s PRO 212 Ca -0.06 1.96 -0.26 0.00 0.04 0.00 0.00 61.00 62.68 2kkz s PRO 212 Cb 0.00 -4.29 -0.10 0.00 0.04 0.00 0.00 34.50 30.15 2kkz s PRO 212 CO 0.15 -1.86 2.45 -2.30 0.04 0.00 0.00 177.00 175.48 2kkz n PRO 213 N 8.46 0.83 -2.24 0.56 -0.02 -1.26 -4.86 135.00 136.46 2kkz n PRO 213 Ca 0.26 -0.13 -0.32 0.00 -2.02 0.00 0.00 63.50 61.29 2kkz n PRO 213 Cb 0.45 -3.21 -0.04 0.00 -0.02 0.00 0.00 33.50 30.67 2kkz n PRO 213 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 2kkz s LEU 214 N 12.02 3.30 -0.16 2.45 1.43 -1.26 -4.96 118.68 131.49 2kkz s LEU 214 Ca 1.02 -1.13 -0.20 0.00 -1.03 0.00 0.00 54.13 52.79 2kkz s LEU 214 Cb -0.30 -2.57 -0.03 0.00 0.03 0.00 0.00 46.19 43.32 2kkz s LEU 214 CO 0.27 -2.30 0.60 0.42 0.23 0.00 0.00 176.35 175.57 2kkz s THR 215 N 8.25 5.06 0.34 5.49 -4.23 -1.26 -5.09 115.64 124.20 2kkz s THR 215 Ca 0.61 1.16 -0.06 0.00 -1.18 0.00 0.00 61.69 62.23 2kkz s THR 215 Cb -0.03 -3.93 0.08 0.00 1.34 0.00 0.00 72.50 69.96 2kkz s THR 215 CO -0.02 0.18 0.34 0.00 -0.54 0.00 0.00 174.62 174.59 2kkz n LEU 216 N 4.57 0.00 0.00 4.79 -0.00 -1.26 -5.32 117.00 119.78 2kkz n LEU 216 Ca -0.03 -0.37 0.00 0.00 -0.00 0.00 0.00 56.01 55.61 2kkz n LEU 216 Cb 0.50 -0.30 0.00 0.00 -0.00 0.00 0.00 43.42 43.63 2kkz n LEU 216 CO 0.44 -1.16 0.00 -1.84 -0.00 0.00 0.00 177.39 174.83