#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 3.70 -0.48 0.03 0.02 -1.26 -4.98 135.00 132.03 2kkz s PRO 85 Ca 0.00 1.59 -0.27 0.00 0.02 0.00 0.00 61.00 62.34 2kkz s PRO 85 Cb 0.00 -2.23 -0.02 0.00 0.02 0.00 0.00 34.50 32.28 2kkz s PRO 85 CO 0.00 -0.56 1.80 0.00 -0.33 0.00 0.00 177.00 177.91 2kkz s ALA 86 N -1.73 2.53 -0.27 -1.55 0.00 -1.26 -4.92 121.76 114.55 2kkz s ALA 86 Ca 0.67 -0.22 -0.31 0.00 0.00 0.00 0.00 51.96 52.09 2kkz s ALA 86 Cb -0.23 -4.15 -0.08 0.00 0.00 0.00 0.00 23.12 18.66 2kkz s ALA 86 CO 0.28 -3.25 2.22 -1.13 0.00 0.00 0.00 175.76 173.88 2kkz n SER 87 N 11.42 2.80 -4.91 0.00 3.41 -1.26 -4.92 113.62 120.16 2kkz n SER 87 Ca 0.21 0.27 -0.22 0.00 -0.26 0.00 0.00 58.87 58.88 2kkz n SER 87 Cb 0.50 -1.44 -0.03 0.00 -0.26 0.00 0.00 64.21 62.97 2kkz n SER 87 CO 0.00 0.00 0.00 -0.60 -0.16 0.00 0.00 175.04 174.28 2kkz s ARG 88 N 6.33 3.23 -0.25 4.33 3.52 -0.87 -4.90 118.95 130.34 2kkz s ARG 88 Ca 1.04 -0.87 0.02 0.00 -0.13 0.00 0.00 55.73 55.79 2kkz s ARG 88 Cb -0.54 -2.76 0.06 0.00 -1.56 0.00 0.00 34.95 30.15 2kkz s ARG 88 CO 0.41 0.43 -0.07 0.71 -0.81 0.00 0.00 175.30 175.96 2kkz s TYR 89 N -2.02 2.81 0.06 5.12 2.02 -1.26 0.01 117.35 124.09 2kkz s TYR 89 Ca 0.33 -2.06 -0.28 0.00 -0.37 0.00 0.00 57.07 54.70 2kkz s TYR 89 Cb -0.09 -1.81 -0.05 0.00 -0.40 0.00 0.00 41.96 39.61 2kkz s TYR 89 CO 0.27 -0.83 0.87 0.42 -1.57 0.00 0.00 175.55 174.71 2kkz s ILE 90 N 1.25 4.66 -0.41 2.71 -1.09 -0.16 -4.95 121.20 123.20 2kkz s ILE 90 Ca -0.06 1.85 0.02 0.00 -2.23 0.00 0.00 60.65 60.24 2kkz s ILE 90 Cb -0.19 -4.22 0.12 0.00 -1.58 0.00 0.00 42.46 36.59 2kkz s ILE 90 CO -0.06 0.32 0.19 0.42 -1.23 0.00 0.00 174.94 174.57 2kkz s THR 91 N 0.11 1.64 -0.04 2.92 -4.23 -1.26 -1.33 115.64 113.44 2kkz s THR 91 Ca 0.43 -2.43 0.15 0.00 -1.18 0.00 0.00 61.69 58.66 2kkz s THR 91 Cb -0.22 -2.17 0.05 0.00 1.34 0.00 0.00 72.50 71.50 2kkz s THR 91 CO 0.26 -0.79 1.50 0.44 -0.54 0.00 0.00 174.62 175.49 2kkz h ASP 92 N 7.09 0.00 -3.32 3.99 3.32 -1.70 -3.44 116.42 122.36 2kkz h ASP 92 Ca -0.05 0.00 -0.62 0.00 0.02 0.00 0.00 57.03 56.37 2kkz h ASP 92 Cb 0.95 0.00 -0.17 0.00 0.22 0.00 0.00 39.33 40.33 2kkz h ASP 92 CO 0.52 0.53 -0.59 -0.04 -1.72 0.00 0.00 179.24 177.94 2kkz s MET 93 N -3.10 3.90 0.76 3.56 -1.94 -1.26 -4.84 119.30 116.37 2kkz s MET 93 Ca 0.03 -0.38 -0.06 0.00 -1.71 0.00 0.00 55.69 53.57 2kkz s MET 93 Cb 0.09 -3.17 0.12 0.00 2.01 0.00 0.00 34.83 33.88 2kkz s MET 93 CO 0.74 0.23 1.06 0.95 -0.01 0.00 0.00 175.02 177.99 2kkz s THR 94 N 0.46 2.18 0.47 2.05 -4.23 -1.26 -4.85 115.64 110.46 2kkz s THR 94 Ca 0.02 -0.38 0.17 0.00 -1.18 0.00 0.00 61.69 60.32 2kkz s THR 94 Cb -0.13 -2.80 0.34 0.00 1.34 0.00 0.00 72.50 71.24 2kkz s THR 94 CO 0.01 0.00 2.00 0.40 -0.54 0.00 0.00 174.62 176.49 2kkz h ILE 95 N -0.75 0.87 -0.32 2.99 2.04 -2.00 -1.34 117.51 119.01 2kkz h ILE 95 Ca -0.41 -0.09 0.07 0.00 1.00 0.00 0.00 64.86 65.43 2kkz h ILE 95 Cb 1.27 0.58 -0.08 0.00 -0.74 0.00 0.00 36.82 37.85 2kkz h ILE 95 CO 0.46 0.05 -0.36 -0.33 0.00 0.00 0.00 178.15 177.96 2kkz h GLU 96 N 0.27 -0.32 0.00 2.37 5.08 -1.95 -1.23 114.58 118.80 2kkz h GLU 96 Ca 0.24 0.02 -0.19 0.00 -1.00 0.00 0.00 59.36 58.43 2kkz h GLU 96 Cb 0.58 0.07 -0.04 0.00 0.50 0.00 0.00 28.75 29.87 2kkz h GLU 96 CO -0.05 -0.21 -1.87 -0.85 -1.00 0.00 0.00 179.01 175.03 2kkz n GLU 97 N -5.42 0.65 -0.01 2.33 0.00 -1.08 -3.59 120.64 113.53 2kkz n GLU 97 Ca -0.01 0.05 -0.13 0.00 0.00 0.00 0.00 57.16 57.07 2kkz n GLU 97 Cb 0.34 -1.65 -0.08 0.00 0.00 0.00 0.00 31.44 30.05 2kkz n GLU 97 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.13 178.38 2kkz h LEU 98 N 0.00 0.05 -2.69 -1.84 6.46 -1.23 -3.01 115.31 113.05 2kkz h LEU 98 Ca -0.25 -0.34 0.00 0.00 -0.12 0.00 0.00 57.88 57.18 2kkz h LEU 98 Cb 1.66 -0.01 0.00 0.00 -0.73 0.00 0.00 40.66 41.57 2kkz h LEU 98 CO 0.03 0.38 0.00 -1.20 -0.62 0.00 0.00 178.44 177.03 2kkz n SER 99 N -4.89 4.14 -4.69 1.25 7.64 -0.47 -4.92 113.62 111.68 2kkz n SER 99 Ca -0.07 -2.46 -0.42 0.00 1.01 0.00 0.00 58.87 56.93 2kkz n SER 99 Cb 0.19 -0.55 -0.03 0.00 -1.01 0.00 0.00 64.21 62.81 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 -1.95 4.43 -0.05 1.43 3.52 -1.14 -5.02 118.95 120.17 2kkz s ARG 100 Ca 0.42 1.21 -0.29 0.00 -0.13 0.00 0.00 55.73 56.93 2kkz s ARG 100 Cb 0.28 -3.51 -0.02 0.00 -1.56 0.00 0.00 34.95 30.13 2kkz s ARG 100 CO 0.18 -0.19 0.97 0.16 -0.81 0.00 0.00 175.30 175.61 2kkz s ASP 101 N 1.04 7.30 0.15 -2.12 -4.77 -1.26 -5.01 116.67 111.99 2kkz s ASP 101 Ca 0.45 1.58 0.00 0.00 -3.30 0.00 0.00 52.55 51.28 2kkz s ASP 101 Cb -0.18 -2.55 -0.04 0.00 -1.09 0.00 0.00 42.92 39.05 2kkz s ASP 101 CO 0.19 -0.32 0.03 -1.66 0.70 0.00 0.00 175.17 174.10 2kkz s TRP 102 N 1.39 1.05 0.05 2.11 1.48 -1.26 -5.13 118.94 118.63 2kkz s TRP 102 Ca 0.50 -1.12 0.03 0.00 -1.06 0.00 0.00 56.10 54.45 2kkz s TRP 102 Cb -0.20 -0.60 -0.03 0.00 -1.16 0.00 0.00 33.47 31.49 2kkz s TRP 102 CO 0.23 -0.35 -0.09 -0.59 -4.06 0.00 0.00 176.95 172.09 2kkz s PHE 103 N -3.83 0.79 -0.08 1.66 -0.71 -1.26 -5.15 117.98 109.39 2kkz s PHE 103 Ca 0.24 -0.49 0.02 0.00 -1.04 0.00 0.00 56.93 55.66 2kkz s PHE 103 Cb 0.07 -0.46 0.01 0.00 -1.21 0.00 0.00 43.02 41.43 2kkz s PHE 103 CO 0.03 -0.05 -0.15 0.00 -1.34 0.00 0.00 175.22 173.70 2kkz s MET 104 N -1.61 2.12 0.12 1.99 0.23 -1.26 -4.90 119.30 115.99 2kkz s MET 104 Ca -0.08 -0.55 -0.13 0.00 -1.03 0.00 0.00 55.69 53.90 2kkz s MET 104 Cb -0.10 -1.72 -0.07 0.00 -1.53 0.00 0.00 34.83 31.41 2kkz s MET 104 CO 0.01 0.03 1.44 1.25 -2.03 0.00 0.00 175.02 175.72 2kkz h LEU 105 N 7.06 0.89 -7.40 0.18 5.85 -1.98 -3.35 115.31 116.56 2kkz h LEU 105 Ca -0.28 -0.47 -0.66 0.00 0.84 0.00 0.00 57.88 57.30 2kkz h LEU 105 Cb 1.19 -0.25 -0.39 0.00 0.37 0.00 0.00 40.66 41.59 2kkz h LEU 105 CO 0.48 1.18 -0.49 -0.04 -0.34 0.00 0.00 178.44 179.23 2kkz s MET 106 N -4.36 2.35 0.22 1.25 -1.94 -1.26 -4.99 119.30 110.57 2kkz s MET 106 Ca -0.12 -2.75 -0.30 0.00 -1.71 0.00 0.00 55.69 50.82 2kkz s MET 106 Cb 0.10 -3.53 -0.09 0.00 2.01 0.00 0.00 34.83 33.33 2kkz s MET 106 CO 0.86 -1.17 1.11 -1.25 -0.01 0.00 0.00 175.02 174.56 2kkz s PRO 107 N -0.46 4.61 -0.03 2.03 0.04 -1.26 -2.22 135.00 137.71 2kkz s PRO 107 Ca 0.19 1.77 0.03 0.00 0.04 0.00 0.00 61.00 63.02 2kkz s PRO 107 Cb -0.20 -3.24 0.00 0.00 0.04 0.00 0.00 34.50 31.11 2kkz s PRO 107 CO -0.04 0.12 -0.11 0.21 0.04 0.00 0.00 177.00 177.22 2kkz s LYS 108 N -0.82 1.17 -0.14 4.56 2.20 -0.42 -4.97 119.74 121.33 2kkz s LYS 108 Ca 0.47 -0.38 0.02 0.00 -0.36 0.00 0.00 55.97 55.73 2kkz s LYS 108 Cb -0.31 -1.07 0.01 0.00 -1.51 0.00 0.00 37.83 34.96 2kkz s LYS 108 CO 0.38 0.14 -0.19 -1.14 -0.36 0.00 0.00 175.35 174.17 2kkz s GLN 109 N 0.18 2.73 -0.09 4.03 -0.44 -1.26 -1.81 119.66 123.00 2kkz s GLN 109 Ca -0.04 -0.74 -0.04 0.00 -2.50 0.00 0.00 55.36 52.04 2kkz s GLN 109 Cb -0.10 -2.28 0.05 0.00 -1.64 0.00 0.00 33.01 29.04 2kkz s GLN 109 CO 0.01 -0.08 0.18 0.21 0.50 0.00 0.00 175.29 176.11 2kkz s LYS 110 N 1.01 0.07 0.19 1.67 2.20 -0.75 -4.99 119.74 119.14 2kkz s LYS 110 Ca -0.04 0.58 -0.30 0.00 -0.36 0.00 0.00 55.97 55.85 2kkz s LYS 110 Cb -0.15 -0.21 -0.08 0.00 -1.51 0.00 0.00 37.83 35.89 2kkz s LYS 110 CO -0.05 -0.28 0.97 0.08 -0.36 0.00 0.00 175.35 175.72 2kkz s VAL 111 N 2.15 4.17 -0.55 4.02 1.01 -1.26 -0.92 120.40 129.03 2kkz s VAL 111 Ca 0.01 2.00 0.04 0.00 0.00 0.00 0.00 61.98 64.03 2kkz s VAL 111 Cb -0.12 -4.28 0.15 0.00 0.00 0.00 0.00 36.38 32.13 2kkz s VAL 111 CO -0.06 0.40 0.34 -0.70 0.00 0.00 0.00 175.10 175.08 2kkz s GLU 112 N -0.70 1.82 7.88 2.72 2.56 -0.23 -4.94 118.70 127.82 2kkz s GLU 112 Ca 0.44 -2.64 0.00 0.00 0.00 0.00 0.00 54.97 52.77 2kkz s GLU 112 Cb -0.26 -2.85 0.00 0.00 2.00 0.00 0.00 34.13 33.02 2kkz s GLU 112 CO 0.32 -1.22 0.00 0.41 -0.56 0.00 0.00 175.26 174.21 2kkz n GLY 113 N 2.81 2.82 1.02 -1.50 0.00 -1.26 -2.74 105.19 106.34 2kkz n GLY 113 Ca 0.14 -0.27 0.04 0.00 0.00 0.00 0.00 46.02 45.94 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 11.88 2.57 -4.23 1.61 -0.04 -1.26 -4.91 135.00 140.63 2kkz n PRO 114 Ca 0.00 -1.47 -0.19 0.00 -0.04 0.00 0.00 63.50 61.80 2kkz n PRO 114 Cb 0.00 -1.68 -0.12 0.00 -0.04 0.00 0.00 33.50 31.66 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 -1.24 2.33 -0.11 1.53 1.43 -1.11 -1.60 118.68 119.92 2kkz s LEU 115 Ca 0.26 -0.71 0.01 0.00 -1.03 0.00 0.00 54.13 52.66 2kkz s LEU 115 Cb 0.18 -0.61 -0.01 0.00 0.03 0.00 0.00 46.19 45.77 2kkz s LEU 115 CO 0.11 -0.07 -0.15 0.00 0.23 0.00 0.00 176.35 176.46 2kkz s ILE 117 N 0.22 4.41 -0.19 0.00 -1.09 -0.09 -2.20 121.20 122.26 2kkz s ILE 117 Ca -0.10 -0.21 0.01 0.00 -2.23 0.00 0.00 60.65 58.12 2kkz s ILE 117 Cb -0.16 -2.86 0.02 0.00 -1.58 0.00 0.00 42.46 37.88 2kkz s ILE 117 CO 0.06 0.60 -0.18 -0.13 -1.23 0.00 0.00 174.94 174.06 2kkz s ARG 118 N -0.85 3.00 -0.11 2.79 1.81 0.41 -1.82 118.95 124.19 2kkz s ARG 118 Ca 0.13 -0.83 0.01 0.00 -1.72 0.00 0.00 55.73 53.32 2kkz s ARG 118 Cb -0.11 -2.62 0.02 0.00 -0.45 0.00 0.00 34.95 31.79 2kkz s ARG 118 CO 0.02 -0.22 -0.14 0.42 -0.68 0.00 0.00 175.30 174.71 2kkz s ILE 119 N 1.30 1.41 -0.24 1.52 1.01 -0.75 -2.65 121.20 122.80 2kkz s ILE 119 Ca 0.05 -0.57 -0.13 0.00 0.00 0.00 0.00 60.65 59.99 2kkz s ILE 119 Cb -0.13 -1.31 -0.04 0.00 0.01 0.00 0.00 42.46 40.98 2kkz s ILE 119 CO -0.12 0.43 0.27 -0.62 0.00 0.00 0.00 174.94 174.90 2kkz s ASP 120 N 1.15 6.22 0.03 3.58 2.15 -0.98 -1.30 116.67 127.52 2kkz s ASP 120 Ca -0.04 0.24 0.25 0.00 0.43 0.00 0.00 52.55 53.43 2kkz s ASP 120 Cb -0.14 -2.16 0.56 0.00 -0.30 0.00 0.00 42.92 40.87 2kkz s ASP 120 CO -0.04 -0.04 1.46 0.00 -0.17 0.00 0.00 175.17 176.38 2kkz n GLN 121 N 4.67 0.07 -0.05 4.34 6.02 -0.94 -4.38 117.38 127.12 2kkz n GLN 121 Ca -0.12 0.02 -0.13 0.00 -0.01 0.00 0.00 57.00 56.76 2kkz n GLN 121 Cb 0.51 -1.55 -0.12 0.00 1.02 0.00 0.00 30.24 30.11 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 2.88 -0.01 -1.92 -1.58 0.00 -1.94 -3.43 119.26 113.26 2kkz h ALA 122 Ca 0.00 -0.39 -0.57 0.00 0.00 0.00 0.00 54.91 53.95 2kkz h ALA 122 Cb 0.56 0.00 -0.04 0.00 0.00 0.00 0.00 17.79 18.31 2kkz h ALA 122 CO 0.00 -0.10 1.10 0.42 0.00 0.00 0.00 179.25 180.67 2kkz s ILE 123 N -2.95 3.82 0.20 0.00 1.09 -1.26 -5.00 121.20 117.09 2kkz s ILE 123 Ca -0.17 0.89 0.05 0.00 -1.10 0.00 0.00 60.65 60.31 2kkz s ILE 123 Cb -0.01 -3.94 -0.05 0.00 -1.06 0.00 0.00 42.46 37.39 2kkz s ILE 123 CO 0.67 -0.49 -0.06 -0.04 -0.10 0.00 0.00 174.94 174.91 2kkz s MET 124 N 4.80 1.25 -0.62 2.79 -1.94 -1.26 -4.88 119.30 119.44 2kkz s MET 124 Ca 0.66 -1.59 0.00 0.00 -1.71 0.00 0.00 55.69 53.06 2kkz s MET 124 Cb -0.19 -0.72 0.00 0.00 2.01 0.00 0.00 34.83 35.92 2kkz s MET 124 CO 0.30 0.01 0.00 -0.25 -0.01 0.00 0.00 175.02 175.07 2kkz n ASP 125 N -0.34 -3.80 -4.61 3.03 8.00 -1.25 -5.02 116.55 112.55 2kkz n ASP 125 Ca -0.07 0.14 -0.30 0.00 0.71 0.00 0.00 54.79 55.27 2kkz n ASP 125 Cb 0.62 -1.82 -0.09 0.00 -0.02 0.00 0.00 41.12 39.81 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 -2.35 2.29 -0.60 -1.24 -0.14 -1.26 -4.93 119.74 111.50 2kkz s LYS 126 Ca 0.00 -0.94 -0.23 0.00 -1.36 0.00 0.00 55.97 53.44 2kkz s LYS 126 Cb 0.00 -2.39 0.06 0.00 -1.68 0.00 0.00 37.83 33.81 2kkz s LYS 126 CO 0.00 0.52 0.92 -0.80 -0.76 0.00 0.00 175.35 175.24 2kkz s ASN 127 N -2.19 6.24 -0.16 2.83 0.01 -1.26 -1.24 114.94 119.17 2kkz s ASN 127 Ca 0.23 -0.73 -0.05 0.00 -0.71 0.00 0.00 52.86 51.59 2kkz s ASN 127 Cb -0.11 -2.41 -0.03 0.00 0.41 0.00 0.00 41.25 39.10 2kkz s ASN 127 CO 0.15 -1.31 0.01 -0.63 -1.51 0.00 0.00 177.10 173.81 2kkz s ILE 128 N 3.88 4.32 -0.19 0.60 1.01 -0.42 -2.45 121.20 127.95 2kkz s ILE 128 Ca 0.25 -0.21 -0.06 0.00 0.00 0.00 0.00 60.65 60.63 2kkz s ILE 128 Cb -0.15 -2.91 -0.03 0.00 0.01 0.00 0.00 42.46 39.38 2kkz s ILE 128 CO 0.14 0.49 0.03 -0.32 0.00 0.00 0.00 174.94 175.29 2kkz s MET 129 N 0.21 3.79 -0.48 2.79 1.75 -0.24 -2.61 119.30 124.51 2kkz s MET 129 Ca 0.01 -0.44 -0.16 0.00 -1.25 0.00 0.00 55.69 53.85 2kkz s MET 129 Cb -0.13 -3.15 0.07 0.00 2.84 0.00 0.00 34.83 34.46 2kkz s MET 129 CO 0.02 0.13 0.43 -0.51 -0.65 0.00 0.00 175.02 174.44 2kkz s LEU 130 N 0.72 5.55 0.04 4.11 1.43 -0.38 -1.85 118.68 128.29 2kkz s LEU 130 Ca 0.02 -1.28 0.05 0.00 -1.03 0.00 0.00 54.13 51.88 2kkz s LEU 130 Cb -0.14 -2.22 -0.02 0.00 0.03 0.00 0.00 46.19 43.84 2kkz s LEU 130 CO 0.02 -0.69 -0.14 -0.54 0.23 0.00 0.00 176.35 175.23 2kkz s LYS 131 N 1.79 0.91 0.04 1.70 1.02 -0.78 -0.89 119.74 123.53 2kkz s LYS 131 Ca 0.06 -0.73 -0.01 0.00 0.02 0.00 0.00 55.97 55.30 2kkz s LYS 131 Cb -0.24 -0.91 -0.03 0.00 -0.52 0.00 0.00 37.83 36.14 2kkz s LYS 131 CO 0.07 0.22 -0.01 0.00 -0.92 0.00 0.00 175.35 174.71 2kkz s ALA 132 N -0.83 0.28 -0.22 5.17 0.00 -1.26 -1.58 121.76 123.32 2kkz s ALA 132 Ca 0.01 -0.88 -0.05 0.00 0.00 0.00 0.00 51.96 51.04 2kkz s ALA 132 Cb -0.08 0.22 -0.02 0.00 0.00 0.00 0.00 23.12 23.24 2kkz s ALA 132 CO 0.01 -0.28 0.00 -0.80 0.00 0.00 0.00 175.76 174.69 2kkz s ASN 133 N -2.25 4.74 0.15 0.00 -0.87 0.07 -1.67 114.94 115.11 2kkz s ASN 133 Ca -0.04 -0.26 -0.18 0.00 -1.57 0.00 0.00 52.86 50.81 2kkz s ASN 133 Cb -0.00 -1.82 0.04 0.00 -0.02 0.00 0.00 41.25 39.45 2kkz s ASN 133 CO -0.06 0.02 0.48 0.72 -2.57 0.00 0.00 177.10 175.69 2kkz s PHE 134 N 1.29 -0.28 0.57 2.20 -0.71 -0.44 -1.78 117.98 118.82 2kkz s PHE 134 Ca 0.04 -0.02 -0.06 0.00 -1.04 0.00 0.00 56.93 55.85 2kkz s PHE 134 Cb -0.15 0.37 -0.00 0.00 -1.21 0.00 0.00 43.02 42.03 2kkz s PHE 134 CO 0.01 -0.79 0.87 -1.54 -1.34 0.00 0.00 175.22 172.43 2kkz s SER 135 N -2.81 5.74 -0.01 1.98 1.04 -0.64 -0.99 113.70 118.02 2kkz s SER 135 Ca 0.04 0.75 0.00 0.00 0.48 0.00 0.00 55.95 57.23 2kkz s SER 135 Cb 0.00 -1.82 0.01 0.00 0.10 0.00 0.00 66.02 64.31 2kkz s SER 135 CO -0.10 -0.96 -0.00 -0.69 0.98 0.00 0.00 173.24 172.47 2kkz s VAL 136 N -2.93 0.08 -0.10 5.02 1.01 0.10 -1.05 120.40 122.52 2kkz s VAL 136 Ca 0.52 0.01 -0.17 0.00 0.00 0.00 0.00 61.98 62.34 2kkz s VAL 136 Cb -0.10 -0.11 0.04 0.00 0.00 0.00 0.00 36.38 36.20 2kkz s VAL 136 CO 0.45 0.05 0.42 -0.51 0.00 0.00 0.00 175.10 175.51 2kkz s ILE 137 N 0.27 0.02 -1.75 2.22 1.10 -0.18 -2.04 121.20 120.83 2kkz s ILE 137 Ca -0.02 -0.15 0.00 0.00 -0.51 0.00 0.00 60.65 59.97 2kkz s ILE 137 Cb -0.04 -0.65 0.00 0.00 0.15 0.00 0.00 42.46 41.92 2kkz s ILE 137 CO -0.01 -0.08 0.00 0.49 -2.11 0.00 0.00 174.94 173.23 2kkz n PHE 138 N 2.15 -0.75 -3.64 3.50 3.72 -1.26 -1.35 117.46 119.83 2kkz n PHE 138 Ca -0.16 0.00 -0.23 0.00 -0.05 0.00 0.00 57.45 57.01 2kkz n PHE 138 Cb 0.57 -3.54 0.06 0.00 -0.94 0.00 0.00 39.48 35.63 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 -1.68 -4.06 -4.01 4.37 9.92 -1.26 -5.04 116.55 114.79 2kkz n ASP 139 Ca -0.21 -0.66 -0.10 0.00 -0.53 0.00 0.00 54.79 53.29 2kkz n ASP 139 Cb 0.65 -4.67 -0.07 0.00 -0.64 0.00 0.00 41.12 36.39 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 -6.07 1.22 0.05 -1.24 1.70 -0.46 -4.69 118.95 109.45 2kkz s ARG 140 Ca 0.35 -1.27 -0.30 0.00 -0.47 0.00 0.00 55.73 54.04 2kkz s ARG 140 Cb -0.16 0.37 -0.08 0.00 -0.57 0.00 0.00 34.95 34.51 2kkz s ARG 140 CO 0.76 -0.45 1.71 -1.17 -1.08 0.00 0.00 175.30 175.07 2kkz s LEU 141 N -3.01 4.37 0.00 -1.89 0.20 -1.26 -1.01 118.68 116.08 2kkz s LEU 141 Ca 0.22 2.49 0.00 0.00 0.69 0.00 0.00 54.13 57.53 2kkz s LEU 141 Cb 0.03 -3.55 0.00 0.00 -0.43 0.00 0.00 46.19 42.24 2kkz s LEU 141 CO 0.03 -0.92 0.03 1.21 -0.29 0.00 0.00 176.35 176.41 2kkz n GLU 142 N 6.12 0.00 -3.79 1.98 0.00 -0.22 -4.17 120.64 120.57 2kkz n GLU 142 Ca 0.17 0.49 -0.13 0.00 0.00 0.00 0.00 57.16 57.68 2kkz n GLU 142 Cb 0.41 -1.00 -0.13 0.00 0.00 0.00 0.00 31.44 30.71 2kkz n GLU 142 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.13 178.12 2kkz s THR 143 N -1.03 -0.02 -0.05 6.31 2.01 -1.25 -3.74 115.64 117.85 2kkz s THR 143 Ca 0.00 0.08 -0.30 0.00 0.31 0.00 0.00 61.69 61.78 2kkz s THR 143 Cb 0.00 -0.22 -0.03 0.00 0.01 0.00 0.00 72.50 72.26 2kkz s THR 143 CO 0.00 0.03 1.08 -0.22 -0.69 0.00 0.00 174.62 174.83 2kkz s LEU 144 N 0.58 4.29 -0.17 4.42 2.96 -1.26 -1.62 118.68 127.88 2kkz s LEU 144 Ca -0.04 1.69 -0.25 0.00 -0.22 0.00 0.00 54.13 55.31 2kkz s LEU 144 Cb -0.06 -3.56 -0.23 0.00 0.50 0.00 0.00 46.19 42.84 2kkz s LEU 144 CO -0.03 -0.46 0.51 0.40 -1.32 0.00 0.00 176.35 175.46 2kkz h ILE 145 N 4.96 1.39 -1.87 6.68 5.03 -1.71 -3.44 117.51 128.54 2kkz h ILE 145 Ca -0.35 -2.27 -0.01 0.00 -0.12 0.00 0.00 64.86 62.11 2kkz h ILE 145 Cb 1.17 2.85 -0.21 0.00 -3.03 0.00 0.00 36.82 37.60 2kkz h ILE 145 CO 0.84 0.47 0.28 -0.22 -0.68 0.00 0.00 178.15 178.84 2kkz s LEU 146 N -8.05 -0.59 0.04 1.44 2.96 -0.77 -4.55 118.68 109.17 2kkz s LEU 146 Ca -0.24 0.78 0.00 0.00 -0.22 0.00 0.00 54.13 54.45 2kkz s LEU 146 Cb 0.01 2.32 -0.03 0.00 0.50 0.00 0.00 46.19 48.99 2kkz s LEU 146 CO 0.65 -0.45 -0.04 -0.22 -1.32 0.00 0.00 176.35 174.96 2kkz s LEU 147 N -0.81 2.36 0.10 -0.68 0.20 -0.40 -0.75 118.68 118.71 2kkz s LEU 147 Ca -0.06 -0.74 -0.17 0.00 0.69 0.00 0.00 54.13 53.85 2kkz s LEU 147 Cb -0.01 0.07 0.04 0.00 -0.43 0.00 0.00 46.19 45.86 2kkz s LEU 147 CO 0.05 -0.41 0.41 0.00 -0.29 0.00 0.00 176.35 176.12 2kkz s ARG 148 N -2.62 1.03 -0.26 1.98 1.70 -0.62 -1.44 118.95 118.73 2kkz s ARG 148 Ca -0.04 -0.59 -0.04 0.00 -0.47 0.00 0.00 55.73 54.59 2kkz s ARG 148 Cb -0.02 0.45 0.01 0.00 -0.57 0.00 0.00 34.95 34.83 2kkz s ARG 148 CO -0.04 -0.39 0.01 0.00 -1.08 0.00 0.00 175.30 173.80 2kkz s ALA 149 N -3.38 2.90 -0.02 7.88 0.00 -0.45 -1.87 121.76 126.82 2kkz s ALA 149 Ca 0.00 -1.39 0.02 0.00 0.00 0.00 0.00 51.96 50.59 2kkz s ALA 149 Cb 0.01 -1.91 0.00 0.00 0.00 0.00 0.00 23.12 21.23 2kkz s ALA 149 CO -0.09 -0.78 -0.06 -0.59 0.00 0.00 0.00 175.76 174.24 2kkz s PHE 150 N 1.44 0.64 1.33 0.00 -0.71 -0.77 -1.19 117.98 118.73 2kkz s PHE 150 Ca 0.02 -0.14 -0.21 0.00 -1.04 0.00 0.00 56.93 55.57 2kkz s PHE 150 Cb -0.16 -0.47 0.33 0.00 -1.21 0.00 0.00 43.02 41.51 2kkz s PHE 150 CO -0.01 -0.06 0.99 0.95 -1.34 0.00 0.00 175.22 175.75 2kkz s THR 151 N 0.17 1.40 0.05 -4.49 -4.23 -0.85 -1.08 115.64 106.62 2kkz s THR 151 Ca -0.02 0.00 0.32 0.00 -1.18 0.00 0.00 61.69 60.81 2kkz s THR 151 Cb -0.06 -2.20 0.33 0.00 1.34 0.00 0.00 72.50 71.91 2kkz s THR 151 CO -0.00 0.00 1.95 -0.33 -0.54 0.00 0.00 174.62 175.70 2kkz h GLU 152 N -3.10 0.00 0.00 3.99 4.39 -1.85 -0.27 114.58 117.75 2kkz h GLU 152 Ca -0.46 0.00 -0.09 0.00 0.34 0.00 0.00 59.36 59.15 2kkz h GLU 152 Cb 1.33 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.96 2kkz h GLU 152 CO 0.32 0.00 -0.55 0.93 -1.16 0.00 0.00 179.01 178.55 2kkz h GLU 153 N 0.00 0.00 0.00 2.33 4.39 -1.91 -3.48 114.58 115.92 2kkz h GLU 153 Ca 0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 2kkz h GLU 153 Cb 0.22 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.87 2kkz h GLU 153 CO 0.00 0.37 0.00 0.41 -1.16 0.00 0.00 179.01 178.63 2kkz n GLY 154 N 1.22 0.71 3.57 -3.84 0.00 -0.11 -5.05 105.19 101.69 2kkz n GLY 154 Ca 0.01 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.63 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 -2.00 2.37 -0.22 4.61 0.00 -1.26 -4.61 121.76 120.65 2kkz s ALA 155 Ca 0.00 -0.30 -0.29 0.00 0.00 0.00 0.00 51.96 51.36 2kkz s ALA 155 Cb 0.00 -4.21 -0.02 0.00 0.00 0.00 0.00 23.12 18.90 2kkz s ALA 155 CO 0.00 -3.50 1.41 0.42 0.00 0.00 0.00 175.76 174.09 2kkz s ILE 156 N 8.51 4.00 0.00 0.00 1.01 -1.26 -2.01 121.20 131.45 2kkz s ILE 156 Ca 0.73 1.16 0.00 0.00 0.00 0.00 0.00 60.65 62.54 2kkz s ILE 156 Cb -0.16 -3.93 0.00 0.00 0.01 0.00 0.00 42.46 38.38 2kkz s ILE 156 CO 0.25 -0.30 0.60 1.33 0.00 0.00 0.00 174.94 176.82 2kkz n VAL 157 N 5.98 0.29 -3.65 2.92 0.24 -0.33 -4.65 118.33 119.13 2kkz n VAL 157 Ca 0.16 -0.57 -0.10 0.00 -2.04 0.00 0.00 64.34 61.79 2kkz n VAL 157 Cb 0.45 0.95 -0.04 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 -0.29 -0.23 -0.21 7.63 0.00 -0.96 -2.31 107.32 110.95 2kkz s GLY 158 Ca 0.00 -0.07 -0.28 0.00 0.00 0.00 0.00 44.72 44.37 2kkz s GLY 158 CO 0.00 -0.26 0.93 1.85 0.00 0.00 0.00 173.10 175.62 2kkz s GLU 159 N -3.83 0.66 -0.17 2.90 2.12 -1.08 -1.34 118.70 117.96 2kkz s GLU 159 Ca 0.05 0.46 0.00 0.00 0.36 0.00 0.00 54.97 55.84 2kkz s GLU 159 Cb 0.01 0.32 0.04 0.00 0.26 0.00 0.00 34.13 34.75 2kkz s GLU 159 CO -0.09 -0.14 -0.09 0.42 -0.54 0.00 0.00 175.26 174.82 2kkz s ILE 160 N -0.38 1.35 0.00 -3.70 1.01 -0.52 -0.45 121.20 118.51 2kkz s ILE 160 Ca -0.01 -0.72 0.06 0.00 0.00 0.00 0.00 60.65 59.98 2kkz s ILE 160 Cb -0.03 -1.43 -0.02 0.00 0.01 0.00 0.00 42.46 40.99 2kkz s ILE 160 CO -0.00 0.23 -0.18 -0.44 0.00 0.00 0.00 174.94 174.54 2kkz s SER 161 N 1.54 2.11 0.57 3.58 0.01 -0.93 -1.28 113.70 119.29 2kkz s SER 161 Ca 0.01 -0.37 -0.21 0.00 1.31 0.00 0.00 55.95 56.69 2kkz s SER 161 Cb -0.15 -0.21 -0.04 0.00 0.21 0.00 0.00 66.02 65.82 2kkz s SER 161 CO -0.08 0.19 1.28 -2.65 0.41 0.00 0.00 173.24 172.39 2kkz n PRO 162 N 2.41 1.47 -2.17 12.44 -0.02 -1.26 -1.14 135.00 146.74 2kkz n PRO 162 Ca -0.16 0.55 -0.38 0.00 -2.02 0.00 0.00 63.50 61.50 2kkz n PRO 162 Cb 0.54 -2.49 -0.00 0.00 -0.02 0.00 0.00 33.50 31.52 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 -3.29 4.02 0.45 2.45 1.43 -0.63 -4.81 118.68 118.30 2kkz s LEU 163 Ca 0.74 2.41 0.19 0.00 -1.03 0.00 0.00 54.13 56.44 2kkz s LEU 163 Cb -0.42 -4.20 1.16 0.00 0.03 0.00 0.00 46.19 42.76 2kkz s LEU 163 CO 0.48 -1.00 1.90 -0.65 0.23 0.00 0.00 176.35 177.31 2kkz h PRO 164 N 2.06 0.30 0.00 1.29 0.11 -1.94 -1.80 132.00 132.02 2kkz h PRO 164 Ca -0.50 -0.02 -0.15 0.00 0.11 0.00 0.00 66.00 65.45 2kkz h PRO 164 Cb 1.25 -0.07 -0.02 0.00 0.11 0.00 0.00 31.00 32.27 2kkz h PRO 164 CO 0.60 0.20 -0.84 0.77 -0.21 0.00 0.00 178.00 178.52 2kkz h SER 165 N 0.31 0.00 -2.26 -2.05 0.02 -1.97 -3.41 113.55 104.19 2kkz h SER 165 Ca 0.40 0.00 -0.58 0.00 -0.84 0.00 0.00 61.79 60.76 2kkz h SER 165 Cb 1.08 0.00 -0.40 0.00 0.14 0.00 0.00 62.40 63.22 2kkz h SER 165 CO -0.11 0.66 -0.92 0.49 -1.14 0.00 0.00 176.83 175.81 2kkz n PHE 166 N -3.19 0.54 0.07 3.45 3.72 -0.72 -4.94 117.46 116.40 2kkz n PHE 166 Ca -0.01 -3.67 -0.06 0.00 -0.05 0.00 0.00 57.45 53.66 2kkz n PHE 166 Cb 0.82 -0.23 0.10 0.00 -0.94 0.00 0.00 39.48 39.23 2kkz n PHE 166 CO 0.00 0.00 0.00 -1.35 -0.05 0.00 0.00 176.76 175.36 2kkz h PRO 167 N 4.66 0.29 -5.22 -1.08 0.11 -1.70 -2.89 132.00 126.18 2kkz h PRO 167 Ca 0.16 -0.20 -0.63 0.00 0.11 0.00 0.00 66.00 65.44 2kkz h PRO 167 Cb 0.84 0.03 -0.14 0.00 0.11 0.00 0.00 31.00 31.84 2kkz h PRO 167 CO 0.53 0.81 -0.15 0.20 -0.21 0.00 0.00 178.00 179.18 2kkz s GLY 168 N -4.31 1.86 0.30 -0.55 0.00 -1.26 -4.90 107.32 98.46 2kkz s GLY 168 Ca -0.04 -0.79 -0.07 0.00 0.00 0.00 0.00 44.72 43.81 2kkz s GLY 168 CO 0.81 1.10 0.47 -2.38 0.00 0.00 0.00 173.10 173.10 2kkz s HIS 169 N 2.18 0.73 0.30 1.90 -3.43 -1.26 -5.07 115.29 110.65 2kkz s HIS 169 Ca 0.17 -1.04 0.08 0.00 -0.80 0.00 0.00 55.06 53.47 2kkz s HIS 169 Cb -0.16 0.05 -0.03 0.00 -1.43 0.00 0.00 32.58 31.01 2kkz s HIS 169 CO 0.10 -1.07 0.20 0.99 -2.00 0.00 0.00 174.74 172.96 2kkz s THR 170 N -3.46 3.70 0.40 -5.38 2.01 -1.26 -4.46 115.64 107.19 2kkz s THR 170 Ca 0.27 -1.51 0.13 0.00 0.31 0.00 0.00 61.69 60.89 2kkz s THR 170 Cb -0.00 -3.17 0.34 0.00 0.01 0.00 0.00 72.50 69.68 2kkz s THR 170 CO 0.15 -0.25 1.91 -0.29 -0.69 0.00 0.00 174.62 175.45 2kkz h ILE 171 N 1.46 0.83 0.00 1.82 2.10 -1.72 -2.55 117.51 119.44 2kkz h ILE 171 Ca -0.46 -0.17 -0.03 0.00 1.08 0.00 0.00 64.86 65.28 2kkz h ILE 171 Cb 1.25 0.27 -0.00 0.00 -1.09 0.00 0.00 36.82 37.25 2kkz h ILE 171 CO 0.60 0.09 -0.15 -0.33 -1.08 0.00 0.00 178.15 177.29 2kkz h GLU 172 N 0.51 0.00 -0.24 2.19 5.08 -1.94 -1.17 114.58 119.00 2kkz h GLU 172 Ca 0.38 0.00 -0.18 0.00 -1.00 0.00 0.00 59.36 58.55 2kkz h GLU 172 Cb 0.75 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.00 2kkz h GLU 172 CO -0.14 0.15 -0.58 -0.44 -1.00 0.00 0.00 179.01 177.00 2kkz h ASP 173 N 0.00 0.87 -0.45 1.42 3.32 -1.86 -3.21 116.42 116.52 2kkz h ASP 173 Ca -0.00 -0.48 -0.10 0.00 0.02 0.00 0.00 57.03 56.47 2kkz h ASP 173 Cb 0.27 -0.25 -0.01 0.00 0.22 0.00 0.00 39.33 39.55 2kkz h ASP 173 CO 0.02 1.26 -0.11 0.58 -1.72 0.00 0.00 179.24 179.27 2kkz h VAL 174 N 0.59 1.27 -0.24 -1.35 2.07 -1.27 -0.74 116.25 116.58 2kkz h VAL 174 Ca 0.00 -1.22 -0.07 0.00 0.82 0.00 0.00 66.70 66.24 2kkz h VAL 174 Cb 1.18 1.14 -0.01 0.00 -1.52 0.00 0.00 31.29 32.07 2kkz h VAL 174 CO 0.12 0.42 -0.14 0.07 0.02 0.00 0.00 177.57 178.06 2kkz h LYS 175 N 0.70 0.40 -0.36 1.57 2.10 -1.49 -0.32 116.57 119.17 2kkz h LYS 175 Ca 0.11 -0.11 -0.17 0.00 -2.00 0.00 0.00 60.65 58.48 2kkz h LYS 175 Cb 0.65 -0.05 -0.00 0.00 -0.90 0.00 0.00 32.23 31.93 2kkz h LYS 175 CO 0.04 0.54 -0.44 -0.91 -2.00 0.00 0.00 179.45 176.69 2kkz h ASN 176 N 0.37 1.00 -0.19 7.07 -0.26 -1.51 -2.35 115.58 119.71 2kkz h ASN 176 Ca 0.07 -0.48 -0.01 0.00 -0.56 0.00 0.00 56.30 55.32 2kkz h ASN 176 Cb 0.47 -0.28 -0.01 0.00 -1.06 0.00 0.00 38.32 37.44 2kkz h ASN 176 CO 0.03 1.28 0.07 0.00 -1.06 0.00 0.00 177.43 177.75 2kkz h ALA 177 N 0.75 0.25 -0.40 -0.83 0.00 -0.60 -2.06 119.26 116.37 2kkz h ALA 177 Ca 0.05 -0.12 -0.04 0.00 0.00 0.00 0.00 54.91 54.80 2kkz h ALA 177 Cb 1.04 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.73 2kkz h ALA 177 CO 0.10 -0.15 0.07 0.82 0.00 0.00 0.00 179.25 180.09 2kkz h ILE 178 N 0.14 1.19 -0.61 0.00 2.04 -1.14 -2.20 117.51 116.94 2kkz h ILE 178 Ca 0.06 -0.72 -0.01 0.00 1.00 0.00 0.00 64.86 65.19 2kkz h ILE 178 Cb 0.20 0.82 -0.03 0.00 -0.74 0.00 0.00 36.82 37.07 2kkz h ILE 178 CO -0.00 0.26 0.36 1.23 0.00 0.00 0.00 178.15 179.99 2kkz h GLY 179 N 0.84 0.88 0.70 5.37 0.00 -0.97 0.12 103.07 110.01 2kkz h GLY 179 Ca 0.13 -0.36 -0.08 0.00 0.00 0.00 0.00 47.33 47.02 2kkz h GLY 179 CO 0.00 0.35 -0.25 -2.08 0.00 0.00 0.00 176.54 174.56 2kkz h VAL 180 N 0.83 1.40 -0.53 4.60 2.07 -0.95 -1.45 116.25 122.22 2kkz h VAL 180 Ca 0.22 -1.57 0.03 0.00 0.82 0.00 0.00 66.70 66.20 2kkz h VAL 180 Cb -0.02 2.16 -0.04 0.00 -1.52 0.00 0.00 31.29 31.88 2kkz h VAL 180 CO -0.04 0.46 0.30 0.25 0.02 0.00 0.00 177.57 178.56 2kkz h LEU 181 N -0.11 0.48 0.08 2.57 5.85 -1.19 -1.72 115.31 121.27 2kkz h LEU 181 Ca -0.00 0.01 -0.00 0.00 0.84 0.00 0.00 57.88 58.72 2kkz h LEU 181 Cb 0.86 -0.09 0.00 0.00 0.37 0.00 0.00 40.66 41.80 2kkz h LEU 181 CO 0.05 0.33 -0.04 0.40 -0.34 0.00 0.00 178.44 178.85 2kkz h ILE 182 N 0.60 0.99 -0.92 4.05 2.04 -1.04 -2.36 117.51 120.87 2kkz h ILE 182 Ca 0.22 -0.23 0.15 0.00 1.00 0.00 0.00 64.86 66.00 2kkz h ILE 182 Cb 0.06 1.14 -0.08 0.00 -0.74 0.00 0.00 36.82 37.20 2kkz h ILE 182 CO -0.12 0.06 0.59 1.23 0.00 0.00 0.00 178.15 179.91 2kkz h GLY 183 N -0.21 1.32 1.29 5.37 0.00 -0.88 0.30 103.07 110.26 2kkz h GLY 183 Ca -0.01 -0.32 -0.18 0.00 0.00 0.00 0.00 47.33 46.82 2kkz h GLY 183 CO 0.02 0.08 -0.59 -1.33 0.00 0.00 0.00 176.54 174.72 2kkz h GLY 184 N 0.73 0.81 2.00 4.60 0.00 -1.26 -2.90 103.07 107.05 2kkz h GLY 184 Ca 0.47 -0.98 -0.02 0.00 0.00 0.00 0.00 47.33 46.80 2kkz h GLY 184 CO -0.23 0.88 -0.11 1.41 0.00 0.00 0.00 176.54 178.48 2kkz h LEU 185 N 0.56 0.00 -0.41 3.11 3.38 -0.52 -2.85 115.31 118.58 2kkz h LEU 185 Ca 0.00 0.00 -0.18 0.00 0.09 0.00 0.00 57.88 57.79 2kkz h LEU 185 Cb 1.17 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.91 2kkz h LEU 185 CO 0.12 0.11 -0.78 -0.33 0.09 0.00 0.00 178.44 177.65 2kkz h GLU 186 N 0.00 0.19 -0.72 1.13 4.39 -0.39 -0.85 114.58 118.33 2kkz h GLU 186 Ca -0.00 -0.18 -0.05 0.00 0.34 0.00 0.00 59.36 59.47 2kkz h GLU 186 Cb 0.70 0.04 -0.03 0.00 -0.10 0.00 0.00 28.75 29.36 2kkz h GLU 186 CO 0.01 0.88 0.25 0.00 -1.16 0.00 0.00 179.01 178.99 2kkz h ARG 187 N 0.12 1.09 0.00 2.33 2.47 -1.31 -2.55 114.38 116.53 2kkz h ARG 187 Ca -0.03 -0.21 0.00 0.00 -1.26 0.00 0.00 59.98 58.48 2kkz h ARG 187 Cb 1.37 -0.17 0.00 0.00 -1.65 0.00 0.00 29.97 29.52 2kkz h ARG 187 CO 0.12 0.91 0.00 0.09 0.56 0.00 0.00 179.97 181.65 2kkz n ASN 188 N -4.27 0.00 -1.44 7.04 4.13 -1.07 -4.89 115.26 114.76 2kkz n ASN 188 Ca 0.06 -0.06 -0.17 0.00 1.68 0.00 0.00 54.58 56.09 2kkz n ASN 188 Cb 0.21 -0.28 -0.06 0.00 -1.54 0.00 0.00 39.78 38.11 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 -1.28 -5.07 -4.75 6.41 2.03 -0.96 -3.77 116.55 109.16 2kkz n ASP 189 Ca 0.11 0.34 -0.40 0.00 0.52 0.00 0.00 54.79 55.36 2kkz n ASP 189 Cb 0.18 -4.10 -0.05 0.00 -0.72 0.00 0.00 41.12 36.43 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 -2.71 7.54 -0.66 1.67 0.01 -0.36 -4.48 114.94 115.95 2kkz s ASN 190 Ca 0.00 1.83 -0.28 0.00 -0.71 0.00 0.00 52.86 53.70 2kkz s ASN 190 Cb 0.00 -2.58 0.03 0.00 0.41 0.00 0.00 41.25 39.11 2kkz s ASN 190 CO 0.00 0.10 1.25 -0.89 -1.51 0.00 0.00 177.10 176.05 2kkz s THR 191 N -0.77 3.86 0.22 1.60 2.01 -0.37 -4.56 115.64 117.62 2kkz s THR 191 Ca 0.42 0.65 -0.21 0.00 0.31 0.00 0.00 61.69 62.86 2kkz s THR 191 Cb -0.24 -4.81 -0.08 0.00 0.01 0.00 0.00 72.50 67.38 2kkz s THR 191 CO 0.30 -1.59 0.74 0.68 -0.69 0.00 0.00 174.62 174.06 2kkz s VAL 192 N 5.42 4.52 -0.08 3.82 -7.23 -1.26 -1.30 120.40 124.29 2kkz s VAL 192 Ca 0.40 1.38 -0.03 0.00 -1.81 0.00 0.00 61.98 61.91 2kkz s VAL 192 Cb -0.08 -3.91 0.04 0.00 0.56 0.00 0.00 36.38 33.00 2kkz s VAL 192 CO 0.20 0.25 0.16 -0.60 -0.31 0.00 0.00 175.10 174.81 2kkz s ARG 193 N -1.85 0.09 0.21 4.82 3.52 -1.07 -4.97 118.95 119.70 2kkz s ARG 193 Ca 0.42 0.44 -0.15 0.00 -0.13 0.00 0.00 55.73 56.31 2kkz s ARG 193 Cb -0.18 -0.19 -0.08 0.00 -1.56 0.00 0.00 34.95 32.94 2kkz s ARG 193 CO 0.22 -0.20 0.63 0.08 -0.81 0.00 0.00 175.30 175.22 2kkz s VAL 194 N 1.49 4.76 0.47 7.11 1.01 -1.26 -1.25 120.40 132.73 2kkz s VAL 194 Ca -0.06 0.92 -0.24 0.00 0.00 0.00 0.00 61.98 62.60 2kkz s VAL 194 Cb -0.12 -3.73 -0.08 0.00 0.00 0.00 0.00 36.38 32.46 2kkz s VAL 194 CO -0.06 0.11 1.26 -0.24 0.00 0.00 0.00 175.10 176.16 2kkz n SER 195 N 0.42 2.38 -0.01 3.32 2.88 -0.07 -4.73 113.62 117.81 2kkz n SER 195 Ca -0.02 1.04 0.16 0.00 -1.33 0.00 0.00 58.87 58.72 2kkz n SER 195 Cb 0.52 -1.51 0.61 0.00 -0.75 0.00 0.00 64.21 63.08 2kkz n SER 195 CO 0.00 0.00 0.00 0.07 -1.23 0.00 0.00 175.04 173.88 2kkz h LYS 196 N 1.74 0.16 0.47 -1.46 2.10 -1.96 0.73 116.57 118.35 2kkz h LYS 196 Ca -0.49 -0.01 -0.02 0.00 -2.00 0.00 0.00 60.65 58.13 2kkz h LYS 196 Cb 1.30 -0.04 0.00 0.00 -0.90 0.00 0.00 32.23 32.60 2kkz h LYS 196 CO 0.58 0.11 -0.23 1.79 -2.00 0.00 0.00 179.45 179.70 2kkz h THR 197 N 0.16 0.32 -0.03 0.07 1.35 -1.98 -3.07 112.91 109.74 2kkz h THR 197 Ca 0.24 -0.51 0.01 0.00 -0.55 0.00 0.00 66.41 65.60 2kkz h THR 197 Cb 0.74 0.47 -0.00 0.00 -1.73 0.00 0.00 68.15 67.63 2kkz h THR 197 CO -0.04 0.06 0.03 -0.07 -0.25 0.00 0.00 175.52 175.25 2kkz h LEU 198 N -1.02 0.00 0.14 3.87 3.38 -1.41 0.10 115.31 120.37 2kkz h LEU 198 Ca -0.07 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.90 2kkz h LEU 198 Cb 0.58 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.33 2kkz h LEU 198 CO 0.11 0.00 -0.07 1.56 0.09 0.00 0.00 178.44 180.13 2kkz h GLN 199 N 0.00 -0.18 0.00 1.13 4.20 -1.03 -0.28 115.11 118.95 2kkz h GLN 199 Ca 0.01 0.01 -0.06 0.00 0.06 0.00 0.00 58.65 58.68 2kkz h GLN 199 Cb 0.08 0.04 -0.01 0.00 0.30 0.00 0.00 27.48 27.89 2kkz h GLN 199 CO -0.00 0.23 -0.28 0.07 -0.67 0.00 0.00 178.83 178.18 2kkz h ARG 200 N -0.92 0.00 0.00 1.46 -0.00 -1.29 0.28 114.38 113.91 2kkz h ARG 200 Ca -0.02 0.00 -0.08 0.00 -0.00 0.00 0.00 59.98 59.88 2kkz h ARG 200 Cb 0.50 0.00 -0.01 0.00 -0.00 0.00 0.00 29.97 30.45 2kkz h ARG 200 CO 0.03 0.28 -0.51 0.74 -0.00 0.00 0.00 179.97 180.51 2kkz h PHE 201 N 0.00 0.00 0.00 4.08 0.04 -1.13 -3.43 116.94 116.49 2kkz h PHE 201 Ca -0.00 0.00 -0.11 0.00 2.80 0.00 0.00 57.97 60.66 2kkz h PHE 201 Cb 0.86 0.00 -0.02 0.00 2.20 0.00 0.00 35.95 38.99 2kkz h PHE 201 CO 0.00 0.96 -1.40 0.00 -0.60 0.00 0.00 178.31 177.27 2kkz n ALA 202 N -3.02 2.04 0.33 2.45 0.00 -0.45 -4.05 120.51 117.79 2kkz n ALA 202 Ca -0.17 -0.30 0.09 0.00 0.00 0.00 0.00 53.44 53.07 2kkz n ALA 202 Cb 0.47 0.36 0.25 0.00 0.00 0.00 0.00 19.45 20.53 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 -2.88 0.68 0.26 0.00 -0.00 -0.24 -4.48 117.44 110.78 2kkz n TRP 203 Ca -0.13 -0.34 -0.10 0.00 -0.00 0.00 0.00 57.50 56.93 2kkz n TRP 203 Cb 0.62 0.00 -0.05 0.00 -0.00 0.00 0.00 31.31 31.88 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 4.81 -0.70 -7.58 5.87 0.00 -0.75 -3.30 103.07 101.42 2kkz h GLY 204 Ca 0.00 0.26 -0.69 0.00 0.00 0.00 0.00 47.33 46.90 2kkz h GLY 204 CO 0.00 -0.25 1.50 -0.56 0.00 0.00 0.00 176.54 177.23 2kkz s SER 205 N -3.37 6.81 0.11 0.19 0.01 -1.26 -4.97 113.70 111.21 2kkz s SER 205 Ca -0.10 -2.36 0.05 0.00 1.31 0.00 0.00 55.95 54.85 2kkz s SER 205 Cb 0.01 -2.48 -0.04 0.00 0.21 0.00 0.00 66.02 63.72 2kkz s SER 205 CO 0.29 -1.07 -0.12 -0.55 0.41 0.00 0.00 173.24 172.20 2kkz s SER 206 N 3.78 1.71 0.08 2.44 0.15 -1.24 -5.11 113.70 115.51 2kkz s SER 206 Ca 0.44 -0.80 -0.13 0.00 0.70 0.00 0.00 55.95 56.16 2kkz s SER 206 Cb -0.01 -0.03 0.02 0.00 -1.71 0.00 0.00 66.02 64.29 2kkz s SER 206 CO -0.02 -0.20 0.30 0.21 1.20 0.00 0.00 173.24 174.73 2kkz s ASN 207 N -2.43 -0.09 -0.16 5.45 3.04 -1.26 -5.17 114.94 114.32 2kkz s ASN 207 Ca 0.07 -0.34 -0.07 0.00 0.04 0.00 0.00 52.86 52.56 2kkz s ASN 207 Cb -0.04 0.38 0.07 0.00 -1.54 0.00 0.00 41.25 40.12 2kkz s ASN 207 CO 0.02 -0.71 0.36 -0.70 -3.04 0.00 0.00 177.10 173.02 2kkz s GLU 208 N -3.22 0.29 -0.48 0.43 2.12 -1.26 -5.13 118.70 111.47 2kkz s GLU 208 Ca -0.00 0.81 -0.17 0.00 0.36 0.00 0.00 54.97 55.97 2kkz s GLU 208 Cb 0.01 0.06 0.05 0.00 0.26 0.00 0.00 34.13 34.52 2kkz s GLU 208 CO -0.08 -0.21 0.50 1.21 -0.54 0.00 0.00 175.26 176.14 2kkz s ASN 209 N 1.95 6.19 -1.27 -1.70 3.84 -1.26 -5.00 114.94 117.68 2kkz s ASN 209 Ca -0.05 -1.01 -0.19 0.00 0.21 0.00 0.00 52.86 51.82 2kkz s ASN 209 Cb -0.11 -2.24 0.03 0.00 -0.55 0.00 0.00 41.25 38.39 2kkz s ASN 209 CO -0.11 -0.74 1.80 0.61 -2.79 0.00 0.00 177.10 175.87 2kkz n GLY 210 N 5.17 2.24 3.71 1.21 0.00 -1.26 -4.98 105.19 111.27 2kkz n GLY 210 Ca -0.09 -1.27 -0.42 0.00 0.00 0.00 0.00 46.02 44.24 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 4.77 4.18 0.26 1.61 1.70 -1.26 -4.97 118.95 125.24 2kkz s ARG 211 Ca 0.57 2.43 -0.30 0.00 -0.47 0.00 0.00 55.73 57.97 2kkz s ARG 211 Cb 0.03 -3.34 -0.11 0.00 -0.57 0.00 0.00 34.95 30.97 2kkz s ARG 211 CO 0.09 -0.71 1.55 -2.14 -1.08 0.00 0.00 175.30 173.01 2kkz s PRO 212 N 1.83 4.18 0.01 3.89 0.02 -1.26 -4.92 135.00 138.75 2kkz s PRO 212 Ca 0.74 2.46 -0.33 0.00 0.02 0.00 0.00 61.00 63.88 2kkz s PRO 212 Cb -0.44 -3.07 -0.12 0.00 0.02 0.00 0.00 34.50 30.89 2kkz s PRO 212 CO 0.32 -0.56 1.81 -0.35 -0.33 0.00 0.00 177.00 177.89 2kkz n PRO 213 N 2.54 2.30 -1.73 5.54 -0.04 -1.26 -4.88 135.00 137.47 2kkz n PRO 213 Ca 0.09 0.84 -0.42 0.00 -0.04 0.00 0.00 63.50 63.96 2kkz n PRO 213 Cb 0.38 -2.68 -0.02 0.00 -0.04 0.00 0.00 33.50 31.14 2kkz n PRO 213 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 2kkz n LEU 214 N 5.80 4.06 -4.72 1.53 4.77 -1.26 -4.91 117.00 122.27 2kkz n LEU 214 Ca 0.20 1.12 -0.42 0.00 -0.03 0.00 0.00 56.01 56.88 2kkz n LEU 214 Cb 0.31 -1.56 -0.03 0.00 -2.33 0.00 0.00 43.42 39.81 2kkz n LEU 214 CO 0.70 0.07 1.28 0.42 -1.33 0.00 0.00 177.39 178.53 2kkz s THR 215 N 0.39 2.37 0.73 -5.08 -4.23 -1.26 -5.02 115.64 103.53 2kkz s THR 215 Ca 0.69 0.27 -0.12 0.00 -1.18 0.00 0.00 61.69 61.35 2kkz s THR 215 Cb -0.52 -3.18 0.18 0.00 1.34 0.00 0.00 72.50 70.32 2kkz s THR 215 CO 0.43 0.02 0.75 0.00 -0.54 0.00 0.00 174.62 175.28 2kkz n LEU 216 N 3.78 0.00 0.00 4.79 -0.00 -1.26 -5.33 117.00 118.98 2kkz n LEU 216 Ca 0.14 -0.80 0.05 0.00 -0.00 0.00 0.00 56.01 55.39 2kkz n LEU 216 Cb 0.37 -0.64 0.29 0.00 -0.00 0.00 0.00 43.42 43.44 2kkz n LEU 216 CO 0.62 -1.52 0.51 -1.84 -0.00 0.00 0.00 177.39 175.17