#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kkz s PRO 85 N 0.00 3.62 -0.01 0.03 0.04 -1.26 -5.00 135.00 132.42 2kkz s PRO 85 Ca 0.00 2.10 -0.21 0.00 0.04 0.00 0.00 61.00 62.93 2kkz s PRO 85 Cb 0.00 -4.22 -0.05 0.00 0.04 0.00 0.00 34.50 30.27 2kkz s PRO 85 CO 0.00 -1.54 0.62 0.00 0.04 0.00 0.00 177.00 176.12 2kkz s ALA 86 N 6.29 3.46 -0.39 8.56 0.00 -1.26 -4.74 121.76 133.67 2kkz s ALA 86 Ca 0.89 0.06 -0.27 0.00 0.00 0.00 0.00 51.96 52.63 2kkz s ALA 86 Cb -0.34 -2.78 -0.04 0.00 0.00 0.00 0.00 23.12 19.96 2kkz s ALA 86 CO 0.36 0.13 2.10 -1.54 0.00 0.00 0.00 175.76 176.81 2kkz s SER 87 N -0.08 5.24 -0.11 0.00 1.04 -1.26 -4.76 113.70 113.78 2kkz s SER 87 Ca 0.32 1.25 -0.01 0.00 0.48 0.00 0.00 55.95 57.99 2kkz s SER 87 Cb -0.18 -2.51 -0.03 0.00 0.10 0.00 0.00 66.02 63.40 2kkz s SER 87 CO 0.18 -2.23 -0.07 -0.60 0.98 0.00 0.00 173.24 171.49 2kkz s ARG 88 N 6.84 3.14 -0.59 4.02 3.52 -0.90 -4.86 118.95 130.13 2kkz s ARG 88 Ca 0.89 -0.57 -0.16 0.00 -0.13 0.00 0.00 55.73 55.76 2kkz s ARG 88 Cb -0.22 -2.69 0.14 0.00 -1.56 0.00 0.00 34.95 30.61 2kkz s ARG 88 CO 0.30 0.45 0.57 0.71 -0.81 0.00 0.00 175.30 176.52 2kkz s TYR 89 N -0.24 3.27 0.20 5.12 1.51 -1.26 -0.12 117.35 125.83 2kkz s TYR 89 Ca 0.03 -1.32 -0.30 0.00 -1.01 0.00 0.00 57.07 54.47 2kkz s TYR 89 Cb -0.13 -3.84 -0.08 0.00 -0.11 0.00 0.00 41.96 37.80 2kkz s TYR 89 CO 0.03 -1.06 1.03 0.42 -1.11 0.00 0.00 175.55 174.86 2kkz s ILE 90 N 1.61 3.96 -0.52 2.71 -1.09 0.50 -4.90 121.20 123.46 2kkz s ILE 90 Ca 0.06 1.79 0.03 0.00 -2.23 0.00 0.00 60.65 60.31 2kkz s ILE 90 Cb -0.27 -4.14 0.15 0.00 -1.58 0.00 0.00 42.46 36.62 2kkz s ILE 90 CO 0.02 0.36 0.32 0.42 -1.23 0.00 0.00 174.94 174.83 2kkz s THR 91 N -0.61 1.80 0.14 2.92 -4.23 -1.26 -1.41 115.64 112.99 2kkz s THR 91 Ca 0.46 -3.13 0.20 0.00 -1.18 0.00 0.00 61.69 58.04 2kkz s THR 91 Cb -0.28 -2.23 0.15 0.00 1.34 0.00 0.00 72.50 71.49 2kkz s THR 91 CO 0.34 -0.96 1.74 0.44 -0.54 0.00 0.00 174.62 175.64 2kkz h ASP 92 N 6.19 0.00 -3.28 3.99 3.32 -1.71 -3.41 116.42 121.51 2kkz h ASP 92 Ca 0.06 0.00 -0.63 0.00 0.02 0.00 0.00 57.03 56.48 2kkz h ASP 92 Cb 0.87 0.00 -0.18 0.00 0.22 0.00 0.00 39.33 40.25 2kkz h ASP 92 CO 0.56 0.35 -0.61 0.00 -1.72 0.00 0.00 179.24 177.82 2kkz s MET 93 N -3.58 3.71 0.99 3.56 0.23 -1.26 -4.80 119.30 118.15 2kkz s MET 93 Ca 0.00 -0.41 -0.12 0.00 -1.03 0.00 0.00 55.69 54.13 2kkz s MET 93 Cb 0.11 -3.04 0.18 0.00 -1.53 0.00 0.00 34.83 30.55 2kkz s MET 93 CO 0.68 0.34 1.09 0.95 -2.03 0.00 0.00 175.02 176.05 2kkz s THR 94 N 0.14 2.10 0.33 3.16 -4.23 -1.26 -4.74 115.64 111.15 2kkz s THR 94 Ca 0.02 0.03 0.03 0.00 -1.18 0.00 0.00 61.69 60.59 2kkz s THR 94 Cb -0.13 -2.54 0.20 0.00 1.34 0.00 0.00 72.50 71.38 2kkz s THR 94 CO 0.02 -0.04 1.93 0.40 -0.54 0.00 0.00 174.62 176.38 2kkz h ILE 95 N -1.86 1.18 -0.72 2.99 1.08 -1.97 0.25 117.51 118.45 2kkz h ILE 95 Ca -0.54 -0.56 0.11 0.00 -0.39 0.00 0.00 64.86 63.47 2kkz h ILE 95 Cb 1.33 0.59 -0.08 0.00 -3.07 0.00 0.00 36.82 35.59 2kkz h ILE 95 CO 0.58 0.22 0.34 -0.33 -0.69 0.00 0.00 178.15 178.26 2kkz h GLU 96 N 0.70 0.54 0.00 2.37 5.08 -1.98 -2.41 114.58 118.87 2kkz h GLU 96 Ca 0.17 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.50 2kkz h GLU 96 Cb 0.14 -0.12 0.00 0.00 0.50 0.00 0.00 28.75 29.26 2kkz h GLU 96 CO -0.02 0.35 -1.10 -0.85 -1.00 0.00 0.00 179.01 176.39 2kkz n GLU 97 N -4.91 0.21 -0.00 2.33 0.28 -0.95 -3.59 120.64 114.01 2kkz n GLU 97 Ca 0.12 -0.03 -0.13 0.00 -0.16 0.00 0.00 57.16 56.96 2kkz n GLU 97 Cb 0.32 -1.54 -0.10 0.00 1.43 0.00 0.00 31.44 31.55 2kkz n GLU 97 CO 0.00 0.00 0.00 1.25 -0.16 0.00 0.00 177.13 178.22 2kkz h LEU 98 N 0.00 -0.01 -3.09 -1.84 5.85 -0.13 -3.30 115.31 112.79 2kkz h LEU 98 Ca 0.00 -0.44 0.00 0.00 0.84 0.00 0.00 57.88 58.28 2kkz h LEU 98 Cb 0.66 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.69 2kkz h LEU 98 CO 0.00 0.43 0.00 -1.54 -0.34 0.00 0.00 178.44 176.99 2kkz n SER 99 N -4.88 4.33 -4.76 1.25 3.41 -0.94 -5.02 113.62 107.00 2kkz n SER 99 Ca -0.08 -2.42 -0.40 0.00 -0.26 0.00 0.00 58.87 55.71 2kkz n SER 99 Cb 0.23 -0.51 -0.03 0.00 -0.26 0.00 0.00 64.21 63.63 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 -1.78 4.42 0.39 4.33 3.52 -1.24 -5.04 118.95 123.56 2kkz s ARG 100 Ca 0.46 1.87 -0.14 0.00 -0.13 0.00 0.00 55.73 57.78 2kkz s ARG 100 Cb 0.29 -3.00 -0.08 0.00 -1.56 0.00 0.00 34.95 30.60 2kkz s ARG 100 CO 0.22 -0.01 0.81 0.16 -0.81 0.00 0.00 175.30 175.68 2kkz s ASP 101 N -0.92 6.69 0.20 -2.12 -4.77 -1.26 -5.05 116.67 109.44 2kkz s ASP 101 Ca 0.49 1.33 -0.11 0.00 -3.30 0.00 0.00 52.55 50.96 2kkz s ASP 101 Cb -0.32 -2.40 -0.01 0.00 -1.09 0.00 0.00 42.92 39.10 2kkz s ASP 101 CO 0.42 -0.35 0.38 -1.66 0.70 0.00 0.00 175.17 174.66 2kkz s TRP 102 N -2.24 0.39 0.04 2.11 1.48 -1.26 -5.02 118.94 114.43 2kkz s TRP 102 Ca 0.55 -0.74 0.05 0.00 -1.06 0.00 0.00 56.10 54.91 2kkz s TRP 102 Cb -0.10 0.05 -0.02 0.00 -1.16 0.00 0.00 33.47 32.24 2kkz s TRP 102 CO 0.24 -0.85 -0.15 -0.59 -4.06 0.00 0.00 176.95 171.54 2kkz s PHE 103 N -3.99 1.31 0.13 1.66 -0.71 -1.26 -5.16 117.98 109.96 2kkz s PHE 103 Ca 0.20 -0.35 0.09 0.00 -1.04 0.00 0.00 56.93 55.84 2kkz s PHE 103 Cb 0.01 -0.79 -0.04 0.00 -1.21 0.00 0.00 43.02 41.00 2kkz s PHE 103 CO 0.04 0.04 -0.19 -1.64 -1.34 0.00 0.00 175.22 172.13 2kkz s MET 104 N -1.07 1.74 0.00 1.99 -1.94 -1.26 -5.03 119.30 113.73 2kkz s MET 104 Ca 0.03 -1.25 0.00 0.00 -1.71 0.00 0.00 55.69 52.76 2kkz s MET 104 Cb -0.08 -2.06 0.00 0.00 2.01 0.00 0.00 34.83 34.70 2kkz s MET 104 CO 0.01 0.46 0.00 1.47 -0.01 0.00 0.00 175.02 176.95 2kkz n LEU 105 N 0.67 0.00 -3.40 -0.03 -0.00 -1.26 -4.83 117.00 108.16 2kkz n LEU 105 Ca -0.15 0.00 -0.26 0.00 -0.00 0.00 0.00 56.01 55.60 2kkz n LEU 105 Cb 0.53 0.00 -0.08 0.00 -0.00 0.00 0.00 43.42 43.87 2kkz n LEU 105 CO 0.29 0.00 -0.13 0.23 -0.00 0.00 0.00 177.39 177.78 2kkz n MET 106 N -1.17 1.45 -2.14 1.47 2.81 -1.26 -4.98 117.12 113.30 2kkz n MET 106 Ca 0.00 -3.91 -0.41 0.00 -1.81 0.00 0.00 57.70 51.57 2kkz n MET 106 Cb 0.12 -1.80 -0.03 0.00 -0.71 0.00 0.00 33.22 30.81 2kkz n MET 106 CO 0.00 0.00 0.00 -2.14 1.51 0.00 0.00 175.97 175.34 2kkz s PRO 107 N -1.52 4.35 -0.12 0.03 0.02 -1.26 -1.73 135.00 134.76 2kkz s PRO 107 Ca 0.35 2.15 -0.01 0.00 0.02 0.00 0.00 61.00 63.52 2kkz s PRO 107 Cb 0.12 -3.15 0.03 0.00 0.02 0.00 0.00 34.50 31.52 2kkz s PRO 107 CO -0.09 -0.28 -0.06 0.21 -0.33 0.00 0.00 177.00 176.44 2kkz s LYS 108 N -0.51 1.44 -0.42 5.54 2.20 -0.10 -4.94 119.74 122.95 2kkz s LYS 108 Ca 0.56 -0.29 -0.08 0.00 -0.36 0.00 0.00 55.97 55.81 2kkz s LYS 108 Cb -0.39 -1.64 0.09 0.00 -1.51 0.00 0.00 37.83 34.38 2kkz s LYS 108 CO 0.42 -0.31 0.24 -1.14 -0.36 0.00 0.00 175.35 174.21 2kkz s GLN 109 N 1.71 2.48 -0.13 4.03 -0.44 -1.26 -2.02 119.66 124.03 2kkz s GLN 109 Ca 0.04 -1.54 0.03 0.00 -2.50 0.00 0.00 55.36 51.38 2kkz s GLN 109 Cb -0.13 -3.72 0.01 0.00 -1.64 0.00 0.00 33.01 27.52 2kkz s GLN 109 CO -0.08 -0.98 -0.21 0.21 0.50 0.00 0.00 175.29 174.73 2kkz s LYS 110 N 1.36 2.91 -0.12 1.67 2.47 -1.03 -5.03 119.74 121.97 2kkz s LYS 110 Ca 0.04 -0.82 -0.13 0.00 -1.56 0.00 0.00 55.97 53.50 2kkz s LYS 110 Cb -0.23 -2.32 -0.05 0.00 -1.46 0.00 0.00 37.83 33.77 2kkz s LYS 110 CO 0.00 0.03 0.28 0.08 0.16 0.00 0.00 175.35 175.91 2kkz s VAL 111 N 0.72 5.29 -0.43 4.02 1.01 -1.26 -0.19 120.40 129.55 2kkz s VAL 111 Ca -0.10 0.53 0.02 0.00 0.00 0.00 0.00 61.98 62.44 2kkz s VAL 111 Cb -0.16 -3.60 0.12 0.00 0.00 0.00 0.00 36.38 32.74 2kkz s VAL 111 CO 0.01 0.47 0.20 -0.70 0.00 0.00 0.00 175.10 175.08 2kkz s GLU 112 N -0.11 1.42 6.39 2.72 2.56 -0.66 -4.95 118.70 126.07 2kkz s GLU 112 Ca 0.17 -2.03 0.00 0.00 0.00 0.00 0.00 54.97 53.12 2kkz s GLU 112 Cb -0.13 -2.67 0.00 0.00 2.00 0.00 0.00 34.13 33.33 2kkz s GLU 112 CO 0.06 -1.09 0.00 0.41 -0.56 0.00 0.00 175.26 174.07 2kkz n GLY 113 N 3.70 1.92 0.00 -1.50 0.00 -1.26 -3.00 105.19 105.05 2kkz n GLY 113 Ca 0.05 -0.47 0.08 0.00 0.00 0.00 0.00 46.02 45.68 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 13.04 0.78 -4.34 1.61 -0.02 -1.26 -4.81 135.00 139.99 2kkz n PRO 114 Ca 0.00 0.00 -0.21 0.00 -2.02 0.00 0.00 63.50 61.27 2kkz n PRO 114 Cb 0.00 -1.31 -0.11 0.00 -0.02 0.00 0.00 33.50 32.06 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 -1.62 2.48 -0.09 2.45 1.02 -1.16 -1.43 118.68 120.32 2kkz s LEU 115 Ca 0.23 -0.91 0.03 0.00 0.02 0.00 0.00 54.13 53.50 2kkz s LEU 115 Cb 0.11 -0.80 -0.01 0.00 0.02 0.00 0.00 46.19 45.51 2kkz s LEU 115 CO 0.18 -0.07 -0.19 0.00 0.02 0.00 0.00 176.35 176.30 2kkz s ILE 117 N 0.06 4.46 -0.11 0.00 -1.09 0.73 -1.24 121.20 124.01 2kkz s ILE 117 Ca -0.08 -0.42 -0.00 0.00 -2.23 0.00 0.00 60.65 57.92 2kkz s ILE 117 Cb -0.15 -2.98 0.02 0.00 -1.58 0.00 0.00 42.46 37.77 2kkz s ILE 117 CO 0.05 0.43 -0.08 -0.60 -1.23 0.00 0.00 174.94 173.51 2kkz s ARG 118 N -1.45 1.57 -0.02 2.79 3.52 -0.04 -2.45 118.95 122.87 2kkz s ARG 118 Ca 0.19 -0.27 0.04 0.00 -0.13 0.00 0.00 55.73 55.56 2kkz s ARG 118 Cb -0.12 -1.60 -0.01 0.00 -1.56 0.00 0.00 34.95 31.67 2kkz s ARG 118 CO 0.09 -0.25 -0.15 0.42 -0.81 0.00 0.00 175.30 174.61 2kkz s ILE 119 N 1.63 1.16 -0.23 4.11 1.01 -0.86 -1.16 121.20 126.87 2kkz s ILE 119 Ca 0.04 -0.62 -0.06 0.00 0.00 0.00 0.00 60.65 60.01 2kkz s ILE 119 Cb -0.13 -0.97 -0.02 0.00 0.01 0.00 0.00 42.46 41.35 2kkz s ILE 119 CO -0.08 0.33 0.03 -0.62 0.00 0.00 0.00 174.94 174.60 2kkz s ASP 120 N -0.26 4.90 0.00 3.58 -1.08 -0.87 -0.93 116.67 122.01 2kkz s ASP 120 Ca 0.04 -0.23 0.28 0.00 -0.52 0.00 0.00 52.55 52.12 2kkz s ASP 120 Cb -0.07 -1.86 1.07 0.00 -1.46 0.00 0.00 42.92 40.60 2kkz s ASP 120 CO -0.00 0.01 1.80 0.00 0.52 0.00 0.00 175.17 177.50 2kkz n GLN 121 N 4.62 0.09 0.05 4.34 6.02 -0.71 -3.54 117.38 128.25 2kkz n GLN 121 Ca -0.17 -0.02 -0.11 0.00 -0.01 0.00 0.00 57.00 56.69 2kkz n GLN 121 Cb 0.51 -1.50 -0.13 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 3.08 0.39 -1.78 -1.58 0.00 -1.94 -3.45 119.26 113.97 2kkz h ALA 122 Ca 0.00 -1.08 -0.56 0.00 0.00 0.00 0.00 54.91 53.27 2kkz h ALA 122 Cb 0.48 0.11 -0.04 0.00 0.00 0.00 0.00 17.79 18.34 2kkz h ALA 122 CO 0.00 1.26 1.21 0.42 0.00 0.00 0.00 179.25 182.13 2kkz s ILE 123 N -2.65 3.62 0.19 0.00 1.09 -1.23 -4.96 121.20 117.26 2kkz s ILE 123 Ca -0.04 0.61 0.04 0.00 -1.10 0.00 0.00 60.65 60.16 2kkz s ILE 123 Cb 0.08 -3.91 -0.05 0.00 -1.06 0.00 0.00 42.46 37.52 2kkz s ILE 123 CO 0.84 -0.63 -0.04 -0.04 -0.10 0.00 0.00 174.94 174.97 2kkz s MET 124 N 5.55 1.18 0.00 2.79 -1.94 -1.26 -4.85 119.30 120.78 2kkz s MET 124 Ca 0.71 -1.56 0.00 0.00 -1.71 0.00 0.00 55.69 53.13 2kkz s MET 124 Cb -0.18 -0.55 0.00 0.00 2.01 0.00 0.00 34.83 36.12 2kkz s MET 124 CO 0.31 -0.04 0.00 -0.25 -0.01 0.00 0.00 175.02 175.04 2kkz n ASP 125 N -0.30 -2.29 -4.91 3.03 8.00 -0.55 -4.98 116.55 114.55 2kkz n ASP 125 Ca -0.07 0.00 -0.30 0.00 0.71 0.00 0.00 54.79 55.12 2kkz n ASP 125 Cb 0.62 -1.46 -0.04 0.00 -0.02 0.00 0.00 41.12 40.22 2kkz n ASP 125 CO 0.00 0.00 0.00 -0.54 -0.39 0.00 0.00 177.20 176.27 2kkz s LYS 126 N -0.66 3.54 -0.47 -1.24 -0.14 -1.26 -4.93 119.74 114.59 2kkz s LYS 126 Ca 0.00 -0.25 -0.21 0.00 -1.36 0.00 0.00 55.97 54.15 2kkz s LYS 126 Cb 0.00 -2.90 0.04 0.00 -1.68 0.00 0.00 37.83 33.29 2kkz s LYS 126 CO 0.00 0.49 0.67 -0.80 -0.76 0.00 0.00 175.35 174.95 2kkz s ASN 127 N -2.64 6.30 0.06 2.83 0.01 -1.26 -1.18 114.94 119.06 2kkz s ASN 127 Ca 0.39 -0.50 0.05 0.00 -0.71 0.00 0.00 52.86 52.08 2kkz s ASN 127 Cb -0.12 -2.32 -0.04 0.00 0.41 0.00 0.00 41.25 39.18 2kkz s ASN 127 CO 0.27 -0.85 -0.06 -0.63 -1.51 0.00 0.00 177.10 174.31 2kkz s ILE 128 N 2.88 3.67 -0.10 0.60 1.01 -0.41 -1.58 121.20 127.27 2kkz s ILE 128 Ca 0.21 -1.01 -0.00 0.00 0.00 0.00 0.00 60.65 59.85 2kkz s ILE 128 Cb -0.15 -2.68 0.02 0.00 0.01 0.00 0.00 42.46 39.66 2kkz s ILE 128 CO 0.17 0.21 -0.06 -0.32 0.00 0.00 0.00 174.94 174.94 2kkz s MET 129 N -1.96 1.36 -0.58 2.79 1.75 0.73 -1.17 119.30 122.21 2kkz s MET 129 Ca 0.21 -0.19 -0.23 0.00 -1.25 0.00 0.00 55.69 54.23 2kkz s MET 129 Cb -0.11 -1.45 0.05 0.00 2.84 0.00 0.00 34.83 36.16 2kkz s MET 129 CO 0.13 -0.25 0.90 -0.51 -0.65 0.00 0.00 175.02 174.64 2kkz s LEU 130 N 1.68 4.34 -0.05 4.11 2.01 -0.26 -1.21 118.68 129.30 2kkz s LEU 130 Ca 0.04 -0.67 0.05 0.00 0.01 0.00 0.00 54.13 53.55 2kkz s LEU 130 Cb -0.13 -2.62 -0.02 0.00 0.01 0.00 0.00 46.19 43.43 2kkz s LEU 130 CO -0.07 -1.25 -0.20 -0.54 1.01 0.00 0.00 176.35 175.30 2kkz s LYS 131 N 3.78 2.46 0.03 1.70 1.02 -0.78 -0.89 119.74 127.07 2kkz s LYS 131 Ca 0.25 -0.81 0.03 0.00 0.02 0.00 0.00 55.97 55.45 2kkz s LYS 131 Cb -0.15 -2.25 -0.02 0.00 -0.52 0.00 0.00 37.83 34.89 2kkz s LYS 131 CO 0.15 0.52 -0.09 0.00 -0.92 0.00 0.00 175.35 175.01 2kkz s ALA 132 N -0.48 0.66 -0.25 5.17 0.00 -1.26 -1.58 121.76 124.03 2kkz s ALA 132 Ca 0.06 -0.66 -0.09 0.00 0.00 0.00 0.00 51.96 51.26 2kkz s ALA 132 Cb -0.12 -0.03 -0.04 0.00 0.00 0.00 0.00 23.12 22.93 2kkz s ALA 132 CO 0.01 0.06 0.13 -0.80 0.00 0.00 0.00 175.76 175.16 2kkz s ASN 133 N -1.18 5.77 0.13 0.00 -0.87 0.12 -1.76 114.94 117.15 2kkz s ASN 133 Ca -0.05 -0.01 -0.24 0.00 -1.57 0.00 0.00 52.86 50.99 2kkz s ASN 133 Cb -0.08 -2.04 0.07 0.00 -0.02 0.00 0.00 41.25 39.18 2kkz s ASN 133 CO 0.00 0.02 0.60 0.72 -2.57 0.00 0.00 177.10 175.88 2kkz s PHE 134 N 1.32 -0.54 0.38 2.20 -0.71 -0.50 -1.20 117.98 118.92 2kkz s PHE 134 Ca 0.06 0.41 -0.08 0.00 -1.04 0.00 0.00 56.93 56.28 2kkz s PHE 134 Cb -0.15 0.53 -0.06 0.00 -1.21 0.00 0.00 43.02 42.13 2kkz s PHE 134 CO 0.06 -0.81 0.71 0.45 -1.34 0.00 0.00 175.22 174.28 2kkz s SER 135 N -2.55 6.48 0.04 1.98 0.15 0.15 -0.37 113.70 119.57 2kkz s SER 135 Ca -0.00 1.00 0.05 0.00 0.70 0.00 0.00 55.95 57.69 2kkz s SER 135 Cb -0.01 -2.27 -0.02 0.00 -1.71 0.00 0.00 66.02 62.02 2kkz s SER 135 CO -0.10 -0.35 -0.13 -0.69 1.20 0.00 0.00 173.24 173.16 2kkz s VAL 136 N -2.31 1.06 -0.16 4.45 1.01 0.83 -1.15 120.40 124.13 2kkz s VAL 136 Ca 0.49 -0.97 -0.25 0.00 0.00 0.00 0.00 61.98 61.25 2kkz s VAL 136 Cb -0.10 -0.97 0.06 0.00 0.00 0.00 0.00 36.38 35.37 2kkz s VAL 136 CO 0.32 -0.00 0.63 -0.51 0.00 0.00 0.00 175.10 175.54 2kkz s ILE 137 N -0.84 0.00 -1.48 2.22 1.10 -0.83 -2.11 121.20 119.27 2kkz s ILE 137 Ca 0.01 -0.04 0.00 0.00 -0.51 0.00 0.00 60.65 60.11 2kkz s ILE 137 Cb -0.08 -0.91 0.00 0.00 0.15 0.00 0.00 42.46 41.62 2kkz s ILE 137 CO 0.01 -0.02 0.00 0.49 -2.11 0.00 0.00 174.94 173.31 2kkz n PHE 138 N 2.03 -0.98 -1.69 3.50 3.72 -1.26 -0.99 117.46 121.78 2kkz n PHE 138 Ca -0.16 0.00 -0.15 0.00 -0.05 0.00 0.00 57.45 57.09 2kkz n PHE 138 Cb 0.56 -3.23 -0.04 0.00 -0.94 0.00 0.00 39.48 35.82 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 -1.65 -4.65 -4.54 4.37 9.92 -1.26 -5.04 116.55 113.71 2kkz n ASP 139 Ca -0.19 0.24 -0.24 0.00 -0.53 0.00 0.00 54.79 54.07 2kkz n ASP 139 Cb 0.62 -3.55 -0.09 0.00 -0.64 0.00 0.00 41.12 37.46 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 -3.71 1.90 -0.29 -1.24 1.70 -0.16 -4.51 118.95 112.65 2kkz s ARG 140 Ca 0.00 -1.69 -0.29 0.00 -0.47 0.00 0.00 55.73 53.29 2kkz s ARG 140 Cb 0.00 -1.89 -0.01 0.00 -0.57 0.00 0.00 34.95 32.48 2kkz s ARG 140 CO 0.00 0.30 1.57 -1.17 -1.08 0.00 0.00 175.30 174.92 2kkz s LEU 141 N -3.59 3.75 -0.11 -1.89 0.20 -0.96 -1.98 118.68 114.11 2kkz s LEU 141 Ca 0.31 1.35 -0.05 0.00 0.69 0.00 0.00 54.13 56.43 2kkz s LEU 141 Cb -0.04 -3.53 -0.04 0.00 -0.43 0.00 0.00 46.19 42.14 2kkz s LEU 141 CO 0.17 -1.36 0.08 -0.08 -0.29 0.00 0.00 176.35 174.88 2kkz h GLU 142 N 10.95 0.00 -3.21 1.98 4.57 -1.43 -3.38 114.58 124.06 2kkz h GLU 142 Ca -0.31 0.00 -0.32 0.00 -1.18 0.00 0.00 59.36 57.54 2kkz h GLU 142 Cb 1.14 0.00 -0.37 0.00 -0.16 0.00 0.00 28.75 29.36 2kkz h GLU 142 CO 1.03 0.15 -0.68 0.99 -1.18 0.00 0.00 179.01 179.32 2kkz s THR 143 N -1.74 -0.18 -0.21 0.32 2.01 -1.18 -4.36 115.64 110.31 2kkz s THR 143 Ca -0.05 0.37 -0.29 0.00 0.31 0.00 0.00 61.69 62.03 2kkz s THR 143 Cb -0.00 -0.22 -0.00 0.00 0.01 0.00 0.00 72.50 72.29 2kkz s THR 143 CO 0.13 0.16 1.18 -0.22 -0.69 0.00 0.00 174.62 175.18 2kkz s LEU 144 N 2.13 4.11 -0.13 4.42 2.96 -1.26 -0.68 118.68 130.23 2kkz s LEU 144 Ca 0.03 1.50 -0.18 0.00 -0.22 0.00 0.00 54.13 55.26 2kkz s LEU 144 Cb -0.12 -3.54 -0.16 0.00 0.50 0.00 0.00 46.19 42.87 2kkz s LEU 144 CO -0.04 -0.77 0.46 0.40 -1.32 0.00 0.00 176.35 175.08 2kkz h ILE 145 N 5.54 1.11 -2.32 6.68 2.04 -1.52 -3.43 117.51 125.60 2kkz h ILE 145 Ca -0.23 -1.85 -0.08 0.00 1.00 0.00 0.00 64.86 63.70 2kkz h ILE 145 Cb 1.09 2.11 -0.20 0.00 -0.74 0.00 0.00 36.82 39.07 2kkz h ILE 145 CO 0.98 0.37 0.02 -0.22 0.00 0.00 0.00 178.15 179.31 2kkz s LEU 146 N -8.32 -0.21 0.03 1.44 2.96 -0.83 -4.57 118.68 109.18 2kkz s LEU 146 Ca -0.13 0.78 0.03 0.00 -0.22 0.00 0.00 54.13 54.60 2kkz s LEU 146 Cb -0.02 2.10 -0.02 0.00 0.50 0.00 0.00 46.19 48.75 2kkz s LEU 146 CO 0.44 -0.42 -0.10 -0.22 -1.32 0.00 0.00 176.35 174.72 2kkz s LEU 147 N -0.63 2.16 0.00 -0.68 0.20 -0.37 -0.70 118.68 118.66 2kkz s LEU 147 Ca -0.07 -0.40 -0.01 0.00 0.69 0.00 0.00 54.13 54.34 2kkz s LEU 147 Cb -0.03 -0.40 -0.01 0.00 -0.43 0.00 0.00 46.19 45.33 2kkz s LEU 147 CO 0.05 -0.03 0.01 -0.13 -0.29 0.00 0.00 176.35 175.96 2kkz s ARG 148 N -1.02 0.14 -0.37 1.98 0.52 -0.61 -1.12 118.95 118.47 2kkz s ARG 148 Ca -0.02 -0.20 -0.13 0.00 -0.52 0.00 0.00 55.73 54.87 2kkz s ARG 148 Cb -0.07 0.05 0.01 0.00 0.52 0.00 0.00 34.95 35.46 2kkz s ARG 148 CO 0.01 -0.02 0.24 0.00 0.02 0.00 0.00 175.30 175.54 2kkz s ALA 149 N -0.53 3.41 -0.20 2.13 0.00 -0.44 -1.86 121.76 124.26 2kkz s ALA 149 Ca -0.06 -1.57 -0.06 0.00 0.00 0.00 0.00 51.96 50.27 2kkz s ALA 149 Cb -0.04 -2.69 -0.03 0.00 0.00 0.00 0.00 23.12 20.37 2kkz s ALA 149 CO -0.00 -1.22 0.03 -0.06 0.00 0.00 0.00 175.76 174.51 2kkz s PHE 150 N 1.65 3.10 0.49 0.00 0.08 -0.35 -1.58 117.98 121.38 2kkz s PHE 150 Ca 0.05 -0.28 -0.08 0.00 0.12 0.00 0.00 56.93 56.73 2kkz s PHE 150 Cb -0.18 -2.11 0.12 0.00 -0.57 0.00 0.00 43.02 40.27 2kkz s PHE 150 CO 0.09 -0.15 0.47 0.25 -0.10 0.00 0.00 175.22 175.79 2kkz n THR 151 N 4.17 0.00 0.31 0.64 -2.24 -0.96 -0.19 114.28 116.00 2kkz n THR 151 Ca -0.17 -0.24 0.19 0.00 -2.27 0.00 0.00 64.05 61.57 2kkz n THR 151 Cb 0.52 -1.22 0.92 0.00 -2.10 0.00 0.00 70.33 68.45 2kkz n THR 151 CO 0.00 0.00 0.00 1.05 -0.57 0.00 0.00 175.07 175.55 2kkz h GLU 152 N 0.00 0.00 -0.02 -0.78 -0.00 -1.67 -0.79 114.58 111.31 2kkz h GLU 152 Ca -0.17 0.00 0.00 0.00 -0.00 0.00 0.00 59.36 59.19 2kkz h GLU 152 Cb 0.52 0.00 0.00 0.00 -0.00 0.00 0.00 28.75 29.27 2kkz h GLU 152 CO 0.11 0.00 -0.11 -0.85 -0.00 0.00 0.00 179.01 178.16 2kkz n GLU 153 N -2.96 1.95 -1.72 1.06 0.28 -1.26 -4.98 120.64 113.02 2kkz n GLU 153 Ca -0.01 -1.55 -0.04 0.00 -0.16 0.00 0.00 57.16 55.40 2kkz n GLU 153 Cb 0.17 -1.47 -0.01 0.00 1.43 0.00 0.00 31.44 31.56 2kkz n GLU 153 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 2kkz n GLY 154 N 1.34 0.38 3.72 -1.84 0.00 -0.30 -5.02 105.19 103.47 2kkz n GLY 154 Ca 0.14 -0.79 -0.42 0.00 0.00 0.00 0.00 46.02 44.95 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 -2.17 3.27 -1.08 4.61 0.00 -1.26 -4.67 121.76 120.45 2kkz s ALA 155 Ca 0.00 0.67 -0.20 0.00 0.00 0.00 0.00 51.96 52.43 2kkz s ALA 155 Cb 0.00 -3.36 0.08 0.00 0.00 0.00 0.00 23.12 19.84 2kkz s ALA 155 CO 0.00 -0.25 1.44 0.42 0.00 0.00 0.00 175.76 177.37 2kkz s ILE 156 N 0.67 4.25 -0.72 0.00 1.01 -1.26 -2.27 121.20 122.88 2kkz s ILE 156 Ca 0.53 -1.38 0.21 0.00 0.00 0.00 0.00 60.65 60.01 2kkz s ILE 156 Cb -0.25 -5.01 -0.26 0.00 0.01 0.00 0.00 42.46 36.94 2kkz s ILE 156 CO 0.30 -1.83 0.78 1.33 0.00 0.00 0.00 174.94 175.51 2kkz n VAL 157 N 6.26 0.00 -4.07 2.92 0.24 -0.62 -4.87 118.33 118.19 2kkz n VAL 157 Ca 0.35 -0.15 -0.09 0.00 -2.04 0.00 0.00 64.34 62.41 2kkz n VAL 157 Cb 0.49 0.71 -0.09 0.00 -1.47 0.00 0.00 33.84 33.48 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 -3.43 0.75 -0.15 7.63 0.00 -1.20 -2.05 107.32 108.86 2kkz s GLY 158 Ca 0.03 -1.22 -0.30 0.00 0.00 0.00 0.00 44.72 43.23 2kkz s GLY 158 CO 0.88 -1.16 0.96 1.85 0.00 0.00 0.00 173.10 175.63 2kkz s GLU 159 N -4.01 0.64 -0.05 2.90 2.12 -0.31 -1.33 118.70 118.67 2kkz s GLU 159 Ca 0.20 0.16 -0.00 0.00 0.36 0.00 0.00 54.97 55.68 2kkz s GLU 159 Cb 0.06 0.30 0.03 0.00 0.26 0.00 0.00 34.13 34.78 2kkz s GLU 159 CO -0.00 -0.20 -0.01 0.42 -0.54 0.00 0.00 175.26 174.93 2kkz s ILE 160 N -1.13 0.35 -0.04 -3.70 1.01 -0.27 -0.86 121.20 116.55 2kkz s ILE 160 Ca -0.03 0.05 -0.01 0.00 0.00 0.00 0.00 60.65 60.66 2kkz s ILE 160 Cb -0.00 -0.45 0.03 0.00 0.01 0.00 0.00 42.46 42.04 2kkz s ILE 160 CO 0.02 0.21 0.03 -0.44 0.00 0.00 0.00 174.94 174.77 2kkz s SER 161 N 1.39 1.01 0.35 3.58 0.01 -0.37 -1.23 113.70 118.43 2kkz s SER 161 Ca -0.04 0.02 -0.26 0.00 1.31 0.00 0.00 55.95 56.98 2kkz s SER 161 Cb -0.13 -0.22 -0.13 0.00 0.21 0.00 0.00 66.02 65.74 2kkz s SER 161 CO -0.03 -0.20 0.83 -2.65 0.41 0.00 0.00 173.24 171.61 2kkz n PRO 162 N 4.93 0.99 -1.81 12.44 -0.02 -1.26 -0.88 135.00 149.39 2kkz n PRO 162 Ca -0.11 0.35 -0.41 0.00 -2.02 0.00 0.00 63.50 61.31 2kkz n PRO 162 Cb 0.50 -1.70 -0.01 0.00 -0.02 0.00 0.00 33.50 32.26 2kkz n PRO 162 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 2kkz s LEU 163 N 0.87 4.35 -1.06 2.45 1.43 -0.51 -4.73 118.68 121.47 2kkz s LEU 163 Ca 0.61 2.93 -0.20 0.00 -1.03 0.00 0.00 54.13 56.45 2kkz s LEU 163 Cb -0.66 -3.64 -0.07 0.00 0.03 0.00 0.00 46.19 41.84 2kkz s LEU 163 CO 0.58 -0.89 1.99 -0.81 0.23 0.00 0.00 176.35 177.46 2kkz n PRO 164 N 1.99 2.04 0.00 1.29 -0.04 -1.26 -1.50 135.00 137.51 2kkz n PRO 164 Ca 0.07 -2.26 0.00 0.00 -0.04 0.00 0.00 63.50 61.27 2kkz n PRO 164 Cb 0.38 -3.18 0.00 0.00 -0.04 0.00 0.00 33.50 30.66 2kkz n PRO 164 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 2kkz n SER 165 N 8.09 0.00 -4.02 3.54 2.88 -1.26 -5.08 113.62 117.78 2kkz n SER 165 Ca 0.50 0.00 -0.33 0.00 -1.33 0.00 0.00 58.87 57.71 2kkz n SER 165 Cb 0.41 0.00 -0.10 0.00 -0.75 0.00 0.00 64.21 63.77 2kkz n SER 165 CO 0.00 0.00 0.00 -0.36 -1.23 0.00 0.00 175.04 173.45 2kkz s PHE 166 N 0.00 3.57 -0.15 0.66 0.40 -0.56 -4.95 117.98 116.95 2kkz s PHE 166 Ca 0.00 -3.08 0.15 0.00 -0.60 0.00 0.00 56.93 53.40 2kkz s PHE 166 Cb 0.00 -3.00 0.11 0.00 0.51 0.00 0.00 43.02 40.63 2kkz s PHE 166 CO 0.00 -0.70 1.46 -1.00 0.70 0.00 0.00 175.22 175.68 2kkz h PRO 167 N 6.13 0.00 -3.21 0.24 0.13 -1.94 -3.41 132.00 129.94 2kkz h PRO 167 Ca 0.08 0.00 -0.63 0.00 -0.87 0.00 0.00 66.00 64.58 2kkz h PRO 167 Cb 0.84 0.00 -0.41 0.00 0.13 0.00 0.00 31.00 31.56 2kkz h PRO 167 CO 0.75 0.48 -0.65 0.20 -0.23 0.00 0.00 178.00 178.56 2kkz s GLY 168 N -4.45 2.37 0.59 1.56 0.00 -1.26 -5.09 107.32 101.04 2kkz s GLY 168 Ca 0.04 -3.24 0.07 0.00 0.00 0.00 0.00 44.72 41.59 2kkz s GLY 168 CO 0.74 1.16 0.81 -2.38 0.00 0.00 0.00 173.10 173.43 2kkz s HIS 169 N -0.41 1.58 0.18 1.90 -3.43 -1.26 -5.11 115.29 108.73 2kkz s HIS 169 Ca 0.19 -0.60 0.10 0.00 -0.80 0.00 0.00 55.06 53.95 2kkz s HIS 169 Cb -0.20 -2.39 -0.04 0.00 -1.43 0.00 0.00 32.58 28.51 2kkz s HIS 169 CO -0.04 -1.21 -0.21 0.99 -2.00 0.00 0.00 174.74 172.27 2kkz s THR 170 N -2.74 2.09 0.42 -5.38 2.01 -1.26 -4.90 115.64 105.88 2kkz s THR 170 Ca 0.62 -1.99 0.18 0.00 0.31 0.00 0.00 61.69 60.81 2kkz s THR 170 Cb -0.06 -1.99 0.38 0.00 0.01 0.00 0.00 72.50 70.84 2kkz s THR 170 CO 0.40 -0.23 1.85 -0.29 -0.69 0.00 0.00 174.62 175.66 2kkz h ILE 171 N 3.18 0.67 -0.52 1.82 2.10 -1.76 -2.60 117.51 120.41 2kkz h ILE 171 Ca -0.44 -0.14 -0.01 0.00 1.08 0.00 0.00 64.86 65.35 2kkz h ILE 171 Cb 1.21 0.23 -0.02 0.00 -1.09 0.00 0.00 36.82 37.15 2kkz h ILE 171 CO 0.50 0.07 0.27 -0.33 -1.08 0.00 0.00 178.15 177.58 2kkz h GLU 172 N 0.40 0.73 0.00 2.19 4.39 -1.95 -1.39 114.58 118.96 2kkz h GLU 172 Ca 0.47 -0.10 -0.13 0.00 0.34 0.00 0.00 59.36 59.95 2kkz h GLU 172 Cb 1.19 -0.14 -0.02 0.00 -0.10 0.00 0.00 28.75 29.68 2kkz h GLU 172 CO -0.18 0.59 -0.79 0.38 -1.16 0.00 0.00 179.01 177.85 2kkz h ASP 173 N 0.69 0.00 -0.10 1.42 3.04 -1.91 -3.07 116.42 116.49 2kkz h ASP 173 Ca 0.18 0.00 -0.01 0.00 -3.24 0.00 0.00 57.03 53.96 2kkz h ASP 173 Cb 0.08 0.00 -0.00 0.00 -1.04 0.00 0.00 39.33 38.37 2kkz h ASP 173 CO -0.03 0.56 0.03 0.58 -2.04 0.00 0.00 179.24 178.34 2kkz h VAL 174 N 0.00 1.19 0.00 4.15 2.07 -1.31 -1.71 116.25 120.64 2kkz h VAL 174 Ca -0.05 -0.59 -0.05 0.00 0.82 0.00 0.00 66.70 66.83 2kkz h VAL 174 Cb 1.47 1.40 -0.01 0.00 -1.52 0.00 0.00 31.29 32.63 2kkz h VAL 174 CO 0.07 0.17 -0.24 0.07 0.02 0.00 0.00 177.57 177.65 2kkz h LYS 175 N -0.04 0.00 -0.30 1.57 2.10 -1.32 0.15 116.57 118.72 2kkz h LYS 175 Ca 0.03 0.00 -0.09 0.00 -2.00 0.00 0.00 60.65 58.59 2kkz h LYS 175 Cb 0.24 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 31.57 2kkz h LYS 175 CO 0.00 0.24 -0.16 -0.91 -2.00 0.00 0.00 179.45 176.62 2kkz h ASN 176 N 0.00 0.66 -0.88 7.07 -0.26 -1.51 -2.25 115.58 118.41 2kkz h ASN 176 Ca -0.00 -0.42 -0.01 0.00 -0.56 0.00 0.00 56.30 55.31 2kkz h ASN 176 Cb 0.49 -0.18 -0.04 0.00 -1.06 0.00 0.00 38.32 37.52 2kkz h ASN 176 CO 0.03 0.93 0.50 0.00 -1.06 0.00 0.00 177.43 177.84 2kkz h ALA 177 N 0.75 1.12 -0.69 -0.83 0.00 -0.29 -1.07 119.26 118.26 2kkz h ALA 177 Ca 0.07 -0.12 -0.08 0.00 0.00 0.00 0.00 54.91 54.78 2kkz h ALA 177 Cb 0.69 -0.35 -0.03 0.00 0.00 0.00 0.00 17.79 18.10 2kkz h ALA 177 CO 0.05 0.61 0.13 0.82 0.00 0.00 0.00 179.25 180.86 2kkz h ILE 178 N 1.22 1.26 -0.56 0.00 2.04 -1.03 -2.71 117.51 117.73 2kkz h ILE 178 Ca 0.31 -1.03 -0.04 0.00 1.00 0.00 0.00 64.86 65.10 2kkz h ILE 178 Cb -0.00 0.60 -0.03 0.00 -0.74 0.00 0.00 36.82 36.65 2kkz h ILE 178 CO -0.05 0.39 0.18 1.23 0.00 0.00 0.00 178.15 179.89 2kkz h GLY 179 N 1.06 0.90 0.79 5.37 0.00 -0.76 -1.64 103.07 108.80 2kkz h GLY 179 Ca 0.21 -0.49 -0.02 0.00 0.00 0.00 0.00 47.33 47.03 2kkz h GLY 179 CO 0.01 0.46 0.00 -2.08 0.00 0.00 0.00 176.54 174.93 2kkz h VAL 180 N 0.82 1.25 -0.35 4.60 2.07 -1.03 -0.79 116.25 122.82 2kkz h VAL 180 Ca 0.19 -0.83 0.01 0.00 0.82 0.00 0.00 66.70 66.89 2kkz h VAL 180 Cb 0.23 1.51 -0.02 0.00 -1.52 0.00 0.00 31.29 31.50 2kkz h VAL 180 CO -0.01 0.25 0.21 0.25 0.02 0.00 0.00 177.57 178.29 2kkz h LEU 181 N 0.00 0.35 -0.47 2.57 5.85 -1.35 -0.72 115.31 121.54 2kkz h LEU 181 Ca 0.04 -0.00 0.04 0.00 0.84 0.00 0.00 57.88 58.80 2kkz h LEU 181 Cb 0.37 -0.08 -0.04 0.00 0.37 0.00 0.00 40.66 41.28 2kkz h LEU 181 CO 0.01 0.25 0.23 0.40 -0.34 0.00 0.00 178.44 178.99 2kkz h ILE 182 N 0.43 0.94 -0.36 4.05 2.04 -1.26 -1.62 117.51 121.73 2kkz h ILE 182 Ca 0.13 -0.15 -0.04 0.00 1.00 0.00 0.00 64.86 65.80 2kkz h ILE 182 Cb -0.02 0.45 -0.02 0.00 -0.74 0.00 0.00 36.82 36.50 2kkz h ILE 182 CO -0.05 0.08 0.05 1.23 0.00 0.00 0.00 178.15 179.46 2kkz h GLY 183 N 0.45 0.59 2.00 5.37 0.00 -0.80 -0.77 103.07 109.91 2kkz h GLY 183 Ca 0.21 -0.33 -0.09 0.00 0.00 0.00 0.00 47.33 47.12 2kkz h GLY 183 CO -0.16 0.31 -0.42 -1.33 0.00 0.00 0.00 176.54 174.93 2kkz h GLY 184 N 0.81 0.00 0.42 4.60 0.00 -0.52 -2.28 103.07 106.10 2kkz h GLY 184 Ca 0.12 0.00 -0.08 0.00 0.00 0.00 0.00 47.33 47.37 2kkz h GLY 184 CO 0.00 0.00 -0.32 1.41 0.00 0.00 0.00 176.54 177.64 2kkz h LEU 185 N 0.00 0.24 -0.99 3.11 3.38 -0.83 -3.33 115.31 116.89 2kkz h LEU 185 Ca -0.00 -0.85 -0.09 0.00 0.09 0.00 0.00 57.88 57.03 2kkz h LEU 185 Cb 0.88 -0.07 -0.01 0.00 0.09 0.00 0.00 40.66 41.54 2kkz h LEU 185 CO 0.05 1.06 -0.25 -0.33 0.09 0.00 0.00 178.44 179.06 2kkz h GLU 186 N -0.55 0.43 0.00 1.13 5.08 -1.10 -2.45 114.58 117.12 2kkz h GLU 186 Ca -0.05 -0.16 -0.07 0.00 -1.00 0.00 0.00 59.36 58.09 2kkz h GLU 186 Cb 1.13 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 30.34 2kkz h GLU 186 CO 0.06 0.66 -0.31 0.07 -1.00 0.00 0.00 179.01 178.49 2kkz h ARG 187 N 0.38 0.00 -0.01 2.33 0.11 -1.57 -1.19 114.38 114.42 2kkz h ARG 187 Ca 0.06 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.14 2kkz h ARG 187 Cb 0.65 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.73 2kkz h ARG 187 CO 0.05 0.31 0.00 0.09 0.10 0.00 0.00 179.97 180.52 2kkz n ASN 188 N -4.03 0.07 -2.71 0.08 3.02 -0.93 -4.91 115.26 105.85 2kkz n ASN 188 Ca -0.02 -1.82 -0.06 0.00 -0.03 0.00 0.00 54.58 52.65 2kkz n ASN 188 Cb 0.37 -0.01 0.03 0.00 -0.61 0.00 0.00 39.78 39.56 2kkz n ASN 188 CO 0.00 0.00 0.00 -0.67 -2.62 0.00 0.00 177.26 173.97 2kkz n ASP 189 N -0.55 -5.73 -4.51 6.41 2.03 -0.45 -4.13 116.55 109.63 2kkz n ASP 189 Ca 0.05 -0.32 -0.26 0.00 0.52 0.00 0.00 54.79 54.77 2kkz n ASP 189 Cb 0.03 -4.01 -0.10 0.00 -0.72 0.00 0.00 41.12 36.32 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 -3.05 3.23 -0.31 1.67 0.01 -1.19 -1.49 114.94 113.81 2kkz s ASN 190 Ca 0.19 -1.48 0.03 0.00 -0.71 0.00 0.00 52.86 50.89 2kkz s ASN 190 Cb -0.03 0.04 0.09 0.00 0.41 0.00 0.00 41.25 41.76 2kkz s ASN 190 CO 0.54 -0.66 0.03 -0.89 -1.51 0.00 0.00 177.10 174.60 2kkz s THR 191 N -3.03 1.91 0.26 1.60 2.01 -0.33 -4.60 115.64 113.47 2kkz s THR 191 Ca 0.28 -1.94 -0.10 0.00 0.31 0.00 0.00 61.69 60.24 2kkz s THR 191 Cb 0.07 -2.33 -0.07 0.00 0.01 0.00 0.00 72.50 70.17 2kkz s THR 191 CO 0.14 -0.48 0.59 0.68 -0.69 0.00 0.00 174.62 174.86 2kkz s VAL 192 N 1.12 4.90 -0.03 3.82 -7.23 -1.26 -1.29 120.40 120.43 2kkz s VAL 192 Ca 0.06 0.49 -0.01 0.00 -1.81 0.00 0.00 61.98 60.71 2kkz s VAL 192 Cb -0.19 -3.64 0.03 0.00 0.56 0.00 0.00 36.38 33.14 2kkz s VAL 192 CO -0.11 -0.15 0.07 -0.60 -0.31 0.00 0.00 175.10 174.00 2kkz s ARG 193 N -3.01 0.01 0.30 4.82 3.52 -0.32 -4.93 118.95 119.33 2kkz s ARG 193 Ca 0.48 0.23 -0.09 0.00 -0.13 0.00 0.00 55.73 56.22 2kkz s ARG 193 Cb -0.11 -0.20 -0.06 0.00 -1.56 0.00 0.00 34.95 33.02 2kkz s ARG 193 CO 0.23 -0.15 0.62 0.08 -0.81 0.00 0.00 175.30 175.27 2kkz s VAL 194 N 0.98 4.90 0.40 7.11 1.01 -1.26 -1.10 120.40 132.44 2kkz s VAL 194 Ca -0.08 0.41 -0.27 0.00 0.00 0.00 0.00 61.98 62.04 2kkz s VAL 194 Cb -0.11 -3.68 -0.09 0.00 0.00 0.00 0.00 36.38 32.49 2kkz s VAL 194 CO -0.04 -0.27 1.39 -0.55 0.00 0.00 0.00 175.10 175.63 2kkz s SER 195 N -2.81 6.25 0.43 3.32 0.15 -0.07 -4.82 113.70 116.15 2kkz s SER 195 Ca 0.48 2.85 0.11 0.00 0.70 0.00 0.00 55.95 60.09 2kkz s SER 195 Cb -0.11 -2.65 0.97 0.00 -1.71 0.00 0.00 66.02 62.52 2kkz s SER 195 CO 0.26 -0.91 2.02 0.11 1.20 0.00 0.00 173.24 175.92 2kkz h LYS 196 N 2.76 0.45 -0.02 5.44 1.79 -1.97 0.59 116.57 125.61 2kkz h LYS 196 Ca -0.50 -0.03 -0.00 0.00 -2.18 0.00 0.00 60.65 57.94 2kkz h LYS 196 Cb 1.25 -0.10 -0.00 0.00 -1.58 0.00 0.00 32.23 31.80 2kkz h LYS 196 CO 0.63 0.29 -0.00 1.79 -1.08 0.00 0.00 179.45 181.08 2kkz h THR 197 N 0.46 1.27 -0.54 -0.16 1.35 -1.98 -3.10 112.91 110.21 2kkz h THR 197 Ca 0.22 -0.81 0.04 0.00 -0.55 0.00 0.00 66.41 65.30 2kkz h THR 197 Cb 0.28 1.78 -0.03 0.00 -1.73 0.00 0.00 68.15 68.45 2kkz h THR 197 CO -0.06 0.22 0.36 -0.07 -0.25 0.00 0.00 175.52 175.72 2kkz h LEU 198 N -0.29 0.51 -0.78 3.87 3.38 -1.60 -1.16 115.31 119.25 2kkz h LEU 198 Ca 0.01 -0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.96 2kkz h LEU 198 Cb 0.35 -0.12 -0.04 0.00 0.09 0.00 0.00 40.66 40.95 2kkz h LEU 198 CO 0.00 0.35 0.44 1.56 0.09 0.00 0.00 178.44 180.89 2kkz h GLN 199 N 0.59 1.08 0.00 1.13 4.20 -0.86 0.64 115.11 121.90 2kkz h GLN 199 Ca 0.22 -0.12 -0.04 0.00 0.06 0.00 0.00 58.65 58.78 2kkz h GLN 199 Cb 0.14 -0.22 -0.01 0.00 0.30 0.00 0.00 27.48 27.70 2kkz h GLN 199 CO -0.06 0.79 -1.92 2.89 -0.67 0.00 0.00 178.83 179.85 2kkz n ARG 200 N -4.45 0.64 -0.04 1.46 0.00 -1.13 -0.92 116.66 112.22 2kkz n ARG 200 Ca 0.07 -0.16 -0.15 0.00 -0.00 0.00 0.00 57.85 57.61 2kkz n ARG 200 Cb 0.08 -1.46 -0.13 0.00 -0.00 0.00 0.00 32.46 30.95 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 0.13 0.00 2.89 0.04 -1.20 -3.39 116.94 115.41 2kkz h PHE 201 Ca -0.05 -0.09 -0.11 0.00 2.80 0.00 0.00 57.97 60.51 2kkz h PHE 201 Cb 1.02 -0.01 -0.02 0.00 2.20 0.00 0.00 35.95 39.15 2kkz h PHE 201 CO 0.00 1.05 -1.30 0.00 -0.60 0.00 0.00 178.31 177.46 2kkz n ALA 202 N -2.61 2.53 1.92 2.45 0.00 -0.73 -2.27 120.51 121.79 2kkz n ALA 202 Ca -0.11 -0.28 0.08 0.00 0.00 0.00 0.00 53.44 53.14 2kkz n ALA 202 Cb 0.55 0.39 0.49 0.00 0.00 0.00 0.00 19.45 20.88 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 -3.36 0.00 0.34 0.00 -0.00 0.14 -3.91 117.44 110.64 2kkz n TRP 203 Ca -0.13 0.00 0.21 0.00 -0.00 0.00 0.00 57.50 57.58 2kkz n TRP 203 Cb 0.56 0.00 1.14 0.00 -0.00 0.00 0.00 31.31 33.01 2kkz n TRP 203 CO 0.00 0.00 0.00 0.78 -0.00 0.00 0.00 177.69 178.47 2kkz h GLY 204 N 5.23 0.00 -7.50 5.87 0.00 -1.23 -3.38 103.07 102.07 2kkz h GLY 204 Ca 0.00 0.00 -0.49 0.00 0.00 0.00 0.00 47.33 46.84 2kkz h GLY 204 CO 0.00 0.00 1.40 -0.56 0.00 0.00 0.00 176.54 177.38 2kkz s SER 205 N -5.07 5.14 -1.27 0.19 0.01 -1.25 -4.92 113.70 106.52 2kkz s SER 205 Ca -0.05 0.48 -0.13 0.00 1.31 0.00 0.00 55.95 57.56 2kkz s SER 205 Cb 0.12 -2.52 0.15 0.00 0.21 0.00 0.00 66.02 63.98 2kkz s SER 205 CO 0.39 -2.45 1.69 -1.20 0.41 0.00 0.00 173.24 172.08 2kkz n SER 206 N 13.26 5.03 -0.61 2.44 7.64 -1.26 -4.60 113.62 135.52 2kkz n SER 206 Ca 0.23 -3.00 0.07 0.00 1.01 0.00 0.00 58.87 57.18 2kkz n SER 206 Cb 0.52 -1.57 0.09 0.00 -1.01 0.00 0.00 64.21 62.24 2kkz n SER 206 CO 0.00 0.00 0.00 -0.46 -3.01 0.00 0.00 175.04 171.57 2kkz n ASN 207 N 5.42 2.37 -3.71 6.43 6.94 -1.26 -4.99 115.26 126.46 2kkz n ASN 207 Ca 0.41 -1.67 -0.14 0.00 -0.02 0.00 0.00 54.58 53.16 2kkz n ASN 207 Cb 0.41 -0.06 -0.09 0.00 -2.36 0.00 0.00 39.78 37.67 2kkz n ASN 207 CO 0.00 0.00 0.00 -0.70 -1.03 0.00 0.00 177.26 175.53 2kkz s GLU 208 N -1.13 0.60 -0.27 -3.83 2.56 -1.26 -5.15 118.70 110.23 2kkz s GLU 208 Ca 0.19 0.41 -0.11 0.00 0.00 0.00 0.00 54.97 55.46 2kkz s GLU 208 Cb 0.12 0.29 -0.05 0.00 2.00 0.00 0.00 34.13 36.49 2kkz s GLU 208 CO 0.18 -0.11 0.18 0.54 -0.56 0.00 0.00 175.26 175.48 2kkz s ASN 209 N -0.24 6.01 0.00 -1.70 2.20 -1.26 -5.05 114.94 114.89 2kkz s ASN 209 Ca -0.04 0.01 0.00 0.00 -0.94 0.00 0.00 52.86 51.89 2kkz s ASN 209 Cb -0.03 -2.11 0.00 0.00 -2.00 0.00 0.00 41.25 37.11 2kkz s ASN 209 CO 0.02 -0.02 0.00 0.61 -2.94 0.00 0.00 177.10 174.77 2kkz n GLY 210 N 4.87 1.33 3.65 0.45 0.00 -1.26 -5.11 105.19 109.11 2kkz n GLY 210 Ca -0.14 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 45.85 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 0.00 0.14 -0.22 1.61 1.70 -1.26 -5.15 118.95 115.77 2kkz s ARG 211 Ca 0.00 0.19 -0.28 0.00 -0.47 0.00 0.00 55.73 55.17 2kkz s ARG 211 Cb 0.00 0.06 0.00 0.00 -0.57 0.00 0.00 34.95 34.44 2kkz s ARG 211 CO 0.00 -0.02 0.96 -1.25 -1.08 0.00 0.00 175.30 173.91 2kkz s PRO 212 N 0.33 4.25 -0.45 3.89 0.05 -1.26 -4.98 135.00 136.82 2kkz s PRO 212 Ca 0.03 1.22 -0.27 0.00 0.05 0.00 0.00 61.00 62.03 2kkz s PRO 212 Cb -0.04 -3.63 -0.08 0.00 0.05 0.00 0.00 34.50 30.80 2kkz s PRO 212 CO -0.13 -0.56 2.38 -0.35 0.05 0.00 0.00 177.00 178.38 2kkz n PRO 213 N 6.10 1.20 -2.15 0.56 -0.04 -1.26 -4.85 135.00 134.56 2kkz n PRO 213 Ca 0.10 0.14 -0.31 0.00 -0.04 0.00 0.00 63.50 63.39 2kkz n PRO 213 Cb 0.47 -3.23 -0.04 0.00 -0.04 0.00 0.00 33.50 30.65 2kkz n PRO 213 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 2kkz s LEU 214 N 10.86 3.24 0.21 1.53 1.43 -1.26 -4.97 118.68 129.72 2kkz s LEU 214 Ca 1.02 -0.74 -0.25 0.00 -1.03 0.00 0.00 54.13 53.13 2kkz s LEU 214 Cb -0.31 -2.56 -0.08 0.00 0.03 0.00 0.00 46.19 43.26 2kkz s LEU 214 CO 0.31 -2.47 0.82 0.42 0.23 0.00 0.00 176.35 175.66 2kkz s THR 215 N 8.96 4.32 0.78 5.49 -4.23 -1.26 -5.08 115.64 124.62 2kkz s THR 215 Ca 0.65 1.72 -0.11 0.00 -1.18 0.00 0.00 61.69 62.77 2kkz s THR 215 Cb -0.06 -4.11 0.06 0.00 1.34 0.00 0.00 72.50 69.73 2kkz s THR 215 CO -0.00 0.42 1.08 -1.48 -0.54 0.00 0.00 174.62 174.10 2kkz s LEU 216 N -1.40 2.84 0.00 4.79 0.05 -1.26 -5.30 118.68 118.40 2kkz s LEU 216 Ca 0.40 1.64 0.00 0.00 0.05 0.00 0.00 54.13 56.22 2kkz s LEU 216 Cb -0.22 -4.31 0.00 0.00 -2.05 0.00 0.00 46.19 39.61 2kkz s LEU 216 CO 0.26 -2.01 0.29 -0.62 -0.55 0.00 0.00 176.35 173.72