#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kkk s THR 3 N 0.00 0.06 0.09 12.58 -4.23 -1.26 -3.21 115.64 119.67 3kkk s THR 3 Ca 0.00 -1.80 0.01 0.00 -1.18 0.00 0.00 61.69 58.72 3kkk s THR 3 Cb 0.00 -2.15 -0.04 0.00 1.34 0.00 0.00 72.50 71.65 3kkk s THR 3 CO 0.00 -0.27 -0.05 -0.31 -0.54 0.00 0.00 174.62 173.45 3kkk s TYR 4 N -4.06 0.83 -0.15 3.99 2.02 0.48 -4.97 117.35 115.50 3kkk s TYR 4 Ca 0.27 -0.96 0.01 0.00 -0.37 0.00 0.00 57.07 56.01 3kkk s TYR 4 Cb 0.06 -0.50 0.02 0.00 -0.40 0.00 0.00 41.96 41.14 3kkk s TYR 4 CO 0.05 -0.21 -0.15 0.99 -1.57 0.00 0.00 175.55 174.66 3kkk s THR 5 N -3.70 1.62 -0.03 -0.71 2.01 -1.26 -1.55 115.64 112.02 3kkk s THR 5 Ca 0.12 -0.67 0.07 0.00 0.31 0.00 0.00 61.69 61.51 3kkk s THR 5 Cb 0.06 -1.51 -0.02 0.00 0.01 0.00 0.00 72.50 71.04 3kkk s THR 5 CO -0.05 0.47 -0.22 -0.22 -0.69 0.00 0.00 174.62 173.90 3kkk s LEU 6 N 1.38 2.27 -0.12 4.42 2.96 -0.27 -4.26 118.68 125.06 3kkk s LEU 6 Ca 0.03 -0.38 0.03 0.00 -0.22 0.00 0.00 54.13 53.59 3kkk s LEU 6 Cb -0.13 -1.41 0.01 0.00 0.50 0.00 0.00 46.19 45.16 3kkk s LEU 6 CO -0.09 0.33 -0.21 -0.69 -1.32 0.00 0.00 176.35 174.37 3kkk s VAL 7 N -0.64 1.90 0.08 1.68 1.01 -0.91 0.02 120.40 123.54 3kkk s VAL 7 Ca 0.10 -0.90 0.06 0.00 0.00 0.00 0.00 61.98 61.24 3kkk s VAL 7 Cb -0.10 -1.68 -0.04 0.00 0.00 0.00 0.00 36.38 34.56 3kkk s VAL 7 CO -0.00 0.52 -0.06 -0.76 0.00 0.00 0.00 175.10 174.80 3kkk s LEU 8 N 0.69 3.20 -0.17 3.92 1.43 0.46 -0.62 118.68 127.58 3kkk s LEU 8 Ca -0.11 -0.27 -0.08 0.00 -1.03 0.00 0.00 54.13 52.64 3kkk s LEU 8 Cb -0.16 -1.94 0.07 0.00 0.03 0.00 0.00 46.19 44.19 3kkk s LEU 8 CO 0.02 0.20 0.40 -0.22 0.23 0.00 0.00 176.35 176.98 3kkk s LEU 9 N -2.06 -0.26 -0.05 1.79 2.96 -0.27 0.26 118.68 121.04 3kkk s LEU 9 Ca 0.22 0.89 -0.16 0.00 -0.22 0.00 0.00 54.13 54.86 3kkk s LEU 9 Cb -0.11 1.28 -0.05 0.00 0.50 0.00 0.00 46.19 47.81 3kkk s LEU 9 CO 0.14 -0.21 0.42 -0.60 -1.32 0.00 0.00 176.35 174.78 3kkk s ARG 10 N 1.84 4.10 0.78 1.98 3.52 -1.26 -0.97 118.95 128.95 3kkk s ARG 10 Ca -0.06 0.40 -0.13 0.00 -0.13 0.00 0.00 55.73 55.81 3kkk s ARG 10 Cb -0.10 -3.31 0.07 0.00 -1.56 0.00 0.00 34.95 30.05 3kkk s ARG 10 CO -0.12 0.47 1.16 -3.38 -0.81 0.00 0.00 175.30 172.61 3kkk s HIS 11 N -0.36 2.07 0.00 5.12 -3.43 -0.62 -0.57 115.29 117.50 3kkk s HIS 11 Ca 0.24 1.65 0.00 0.00 -0.80 0.00 0.00 55.06 56.14 3kkk s HIS 11 Cb -0.16 -3.33 0.00 0.00 -1.43 0.00 0.00 32.58 27.66 3kkk s HIS 11 CO 0.12 -2.44 0.00 0.41 -2.00 0.00 0.00 174.74 170.83 3kkk n GLY 12 N -0.02 -1.44 3.70 -1.38 0.00 -1.26 -4.28 105.19 100.51 3kkk n GLY 12 Ca 0.12 -1.56 -0.42 0.00 0.00 0.00 0.00 46.02 44.16 3kkk n GLY 12 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3kkk s GLU 13 N -1.21 4.26 0.52 1.61 2.12 -1.26 -4.87 118.70 119.87 3kkk s GLU 13 Ca 0.00 2.16 -0.04 0.00 0.36 0.00 0.00 54.97 57.45 3kkk s GLU 13 Cb 0.00 -3.43 -0.01 0.00 0.26 0.00 0.00 34.13 30.95 3kkk s GLU 13 CO 0.00 -0.59 0.81 -1.54 -0.54 0.00 0.00 175.26 173.40 3kkk s SER 14 N 1.72 5.86 0.44 -1.70 1.04 -1.26 0.18 113.70 119.98 3kkk s SER 14 Ca 0.68 0.69 0.10 0.00 0.48 0.00 0.00 55.95 57.90 3kkk s SER 14 Cb -0.37 -1.85 0.99 0.00 0.10 0.00 0.00 66.02 64.89 3kkk s SER 14 CO 0.30 -0.83 2.08 0.71 0.98 0.00 0.00 173.24 176.48 3kkk h THR 15 N 0.08 1.08 0.00 2.02 1.35 -1.65 -2.62 112.91 113.17 3kkk h THR 15 Ca -0.46 -0.17 -0.05 0.00 -0.55 0.00 0.00 66.41 65.17 3kkk h THR 15 Cb 1.24 0.71 -0.01 0.00 -1.73 0.00 0.00 68.15 68.37 3kkk h THR 15 CO 0.60 0.08 -0.25 -0.50 -0.25 0.00 0.00 175.52 175.20 3kkk h TRP 16 N 0.35 0.00 0.00 4.73 4.06 -1.93 -2.88 115.95 120.29 3kkk h TRP 16 Ca 0.09 0.00 -0.02 0.00 2.06 0.00 0.00 58.89 61.03 3kkk h TRP 16 Cb -0.01 0.00 -0.00 0.00 -1.00 0.00 0.00 29.16 28.15 3kkk h TRP 16 CO 0.00 0.25 -0.08 -0.91 -3.56 0.00 0.00 178.44 174.14 3kkk h ASN 17 N 0.00 0.00 1.09 -3.49 -0.26 -1.73 -1.75 115.58 109.44 3kkk h ASN 17 Ca -0.00 0.00 -0.04 0.00 -0.56 0.00 0.00 56.30 55.70 3kkk h ASN 17 Cb 1.01 0.00 -0.01 0.00 -1.06 0.00 0.00 38.32 38.27 3kkk h ASN 17 CO 0.03 0.08 -0.17 0.11 -1.06 0.00 0.00 177.43 176.43 3kkk h LYS 18 N 0.00 0.00 -0.14 0.81 1.57 -1.59 -3.12 116.57 114.11 3kkk h LYS 18 Ca -0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 3kkk h LYS 18 Cb 0.15 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.46 3kkk h LYS 18 CO 0.01 0.17 0.00 0.39 -0.57 0.00 0.00 179.45 179.45 3kkk n GLU 19 N -3.28 2.16 -3.60 3.15 1.02 -0.72 -5.00 120.64 114.38 3kkk n GLU 19 Ca 0.01 -1.94 -0.27 0.00 -0.02 0.00 0.00 57.16 54.94 3kkk n GLU 19 Cb 0.43 -1.44 0.05 0.00 -0.02 0.00 0.00 31.44 30.46 3kkk n GLU 19 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 3kkk n ASN 20 N 1.28 -5.18 -4.29 1.62 4.13 -0.85 -4.79 115.26 107.18 3kkk n ASN 20 Ca 0.14 -0.94 -0.28 0.00 1.68 0.00 0.00 54.58 55.18 3kkk n ASN 20 Cb 0.56 -3.78 -0.15 0.00 -1.54 0.00 0.00 39.78 34.87 3kkk n ASN 20 CO 0.00 0.00 0.00 -0.54 0.28 0.00 0.00 177.26 177.00 3kkk s LYS 21 N -5.68 1.60 -0.04 3.52 1.02 -1.00 -0.97 119.74 118.19 3kkk s LYS 21 Ca 0.43 -0.99 -0.30 0.00 0.02 0.00 0.00 55.97 55.13 3kkk s LYS 21 Cb -0.13 -1.72 -0.04 0.00 -0.52 0.00 0.00 37.83 35.42 3kkk s LYS 21 CO 0.83 0.44 1.33 -0.06 -0.92 0.00 0.00 175.35 176.98 3kkk s PHE 22 N -0.76 2.91 -0.14 3.18 0.08 -0.90 -4.66 117.98 117.70 3kkk s PHE 22 Ca 0.09 0.94 -0.13 0.00 0.12 0.00 0.00 56.93 57.95 3kkk s PHE 22 Cb -0.09 -3.58 -0.04 0.00 -0.57 0.00 0.00 43.02 38.74 3kkk s PHE 22 CO 0.02 -2.06 -0.25 2.41 -0.10 0.00 0.00 175.22 175.23 3kkk n THR 23 N 4.78 1.17 0.00 0.64 -1.04 -1.26 -1.62 114.28 116.95 3kkk n THR 23 Ca 0.13 0.23 0.00 0.00 -2.04 0.00 0.00 64.05 62.37 3kkk n THR 23 Cb 0.45 -2.18 0.00 0.00 -1.82 0.00 0.00 70.33 66.78 3kkk n THR 23 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 3kkk n GLY 24 N 1.51 4.04 0.15 3.41 0.00 -1.26 -1.65 105.19 111.38 3kkk n GLY 24 Ca -0.10 0.05 0.14 0.00 0.00 0.00 0.00 46.02 46.11 3kkk n GLY 24 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 3kkk n TRP 25 N 14.00 0.00 -1.68 1.61 7.02 -1.26 -4.69 117.44 132.44 3kkk n TRP 25 Ca 0.00 0.00 -0.44 0.00 -1.02 0.00 0.00 57.50 56.04 3kkk n TRP 25 Cb 0.00 -0.13 -0.04 0.00 -2.42 0.00 0.00 31.31 28.72 3kkk n TRP 25 CO 0.00 0.00 0.00 2.41 -2.02 0.00 0.00 177.69 178.08 3kkk n THR 26 N -0.81 0.36 -2.02 -0.99 -1.04 -0.66 -4.85 114.28 104.28 3kkk n THR 26 Ca 0.16 -0.06 -0.41 0.00 -2.04 0.00 0.00 64.05 61.70 3kkk n THR 26 Cb 0.26 -1.99 -0.00 0.00 -1.82 0.00 0.00 70.33 66.78 3kkk n THR 26 CO 0.00 0.00 0.00 -0.67 -0.64 0.00 0.00 175.07 173.76 3kkk n ASP 27 N 5.53 6.21 -4.85 8.00 2.03 -1.26 -4.97 116.55 127.24 3kkk n ASP 27 Ca 0.19 -3.01 -0.32 0.00 0.52 0.00 0.00 54.79 52.17 3kkk n ASP 27 Cb 0.35 -1.48 -0.05 0.00 -0.72 0.00 0.00 41.12 39.21 3kkk n ASP 27 CO 0.00 0.00 0.00 0.68 -1.92 0.00 0.00 177.20 175.96 3kkk s VAL 28 N 0.57 4.68 0.78 5.18 -7.23 -1.26 -4.82 120.40 118.29 3kkk s VAL 28 Ca 0.49 0.91 -0.12 0.00 -1.81 0.00 0.00 61.98 61.45 3kkk s VAL 28 Cb 0.14 -3.65 0.06 0.00 0.56 0.00 0.00 36.38 33.48 3kkk s VAL 28 CO -0.05 -0.34 1.12 -2.16 -0.31 0.00 0.00 175.10 173.37 3kkk s PRO 29 N -3.35 2.21 0.52 4.82 0.04 -1.26 -4.00 135.00 133.98 3kkk s PRO 29 Ca 0.54 0.41 -0.21 0.00 0.04 0.00 0.00 61.00 61.78 3kkk s PRO 29 Cb -0.10 -1.95 -0.06 0.00 0.04 0.00 0.00 34.50 32.43 3kkk s PRO 29 CO 0.22 -1.48 1.21 -0.51 0.04 0.00 0.00 177.00 176.48 3kkk s LEU 30 N -5.62 3.87 0.89 -3.56 1.43 -1.26 -2.06 118.68 112.37 3kkk s LEU 30 Ca 0.60 2.40 -0.12 0.00 -1.03 0.00 0.00 54.13 55.99 3kkk s LEU 30 Cb -0.12 -4.37 0.13 0.00 0.03 0.00 0.00 46.19 41.85 3kkk s LEU 30 CO 0.52 -1.24 1.14 -0.94 0.23 0.00 0.00 176.35 176.06 3kkk s SER 31 N -1.38 3.71 0.27 2.29 1.04 0.13 -4.52 113.70 115.24 3kkk s SER 31 Ca 0.69 0.96 -0.02 0.00 0.48 0.00 0.00 55.95 58.06 3kkk s SER 31 Cb -0.31 -1.53 0.42 0.00 0.10 0.00 0.00 66.02 64.69 3kkk s SER 31 CO 0.36 -2.42 1.89 -0.33 0.98 0.00 0.00 173.24 173.72 3kkk h GLU 32 N -1.41 1.14 -0.98 4.02 5.08 -1.97 -0.61 114.58 119.86 3kkk h GLU 32 Ca -0.50 -0.07 0.02 0.00 -1.00 0.00 0.00 59.36 57.82 3kkk h GLU 32 Cb 1.33 -0.26 -0.05 0.00 0.50 0.00 0.00 28.75 30.27 3kkk h GLU 32 CO 0.62 0.75 0.64 -0.22 -1.00 0.00 0.00 179.01 179.81 3kkk h LYS 33 N 1.17 1.25 0.00 2.33 3.64 -1.93 -1.76 116.57 121.27 3kkk h LYS 33 Ca 0.42 -0.07 -0.06 0.00 -1.27 0.00 0.00 60.65 59.67 3kkk h LYS 33 Cb 0.14 -0.28 -0.01 0.00 -0.41 0.00 0.00 32.23 31.67 3kkk h LYS 33 CO -0.16 0.82 -0.28 0.78 -2.27 0.00 0.00 179.45 178.35 3kkk h GLY 34 N 1.28 0.00 0.76 5.01 0.00 -1.21 -1.04 103.07 107.88 3kkk h GLY 34 Ca 0.37 0.00 -0.12 0.00 0.00 0.00 0.00 47.33 47.58 3kkk h GLY 34 CO -0.10 0.00 -0.44 0.83 0.00 0.00 0.00 176.54 176.83 3kkk h GLU 35 N 0.00 0.41 -0.80 4.80 5.08 -0.86 -3.02 114.58 120.19 3kkk h GLU 35 Ca -0.00 -0.36 -0.01 0.00 -1.00 0.00 0.00 59.36 57.99 3kkk h GLU 35 Cb 0.64 0.08 -0.04 0.00 0.50 0.00 0.00 28.75 29.94 3kkk h GLU 35 CO 0.04 1.00 0.45 0.93 -1.00 0.00 0.00 179.01 180.43 3kkk h GLU 36 N -0.07 1.11 -0.34 2.33 5.08 -1.11 -1.87 114.58 119.71 3kkk h GLU 36 Ca -0.04 -0.12 0.05 0.00 -1.00 0.00 0.00 59.36 58.25 3kkk h GLU 36 Cb 1.11 -0.22 -0.04 0.00 0.50 0.00 0.00 28.75 30.09 3kkk h GLU 36 CO 0.09 0.81 0.08 0.93 -1.00 0.00 0.00 179.01 179.92 3kkk h GLU 37 N 1.11 0.20 -0.91 2.33 5.08 -1.27 0.46 114.58 121.58 3kkk h GLU 37 Ca 0.28 -0.01 0.09 0.00 -1.00 0.00 0.00 59.36 58.72 3kkk h GLU 37 Cb 0.02 -0.05 -0.07 0.00 0.50 0.00 0.00 28.75 29.15 3kkk h GLU 37 CO -0.05 0.13 0.56 0.00 -1.00 0.00 0.00 179.01 178.65 3kkk h ALA 38 N 1.24 1.29 -0.31 3.43 0.00 -1.34 0.43 119.26 124.01 3kkk h ALA 38 Ca 0.16 0.01 -0.13 0.00 0.00 0.00 0.00 54.91 54.95 3kkk h ALA 38 Cb 0.17 -0.21 -0.00 0.00 0.00 0.00 0.00 17.79 17.74 3kkk h ALA 38 CO -0.20 0.24 -0.31 0.82 0.00 0.00 0.00 179.25 179.80 3kkk h ILE 39 N 0.95 1.29 -0.67 0.00 2.04 -0.61 -1.86 117.51 118.66 3kkk h ILE 39 Ca 0.42 -1.48 -0.04 0.00 1.00 0.00 0.00 64.86 64.76 3kkk h ILE 39 Cb 0.31 1.53 -0.03 0.00 -0.74 0.00 0.00 36.82 37.89 3kkk h ILE 39 CO -0.22 0.48 0.28 0.00 0.00 0.00 0.00 178.15 178.69 3kkk h ALA 40 N 0.72 0.87 -0.98 1.87 0.00 -0.57 -1.13 119.26 120.04 3kkk h ALA 40 Ca 0.05 -0.17 0.04 0.00 0.00 0.00 0.00 54.91 54.84 3kkk h ALA 40 Cb 0.89 -0.26 -0.06 0.00 0.00 0.00 0.00 17.79 18.36 3kkk h ALA 40 CO 0.08 0.47 0.64 0.00 0.00 0.00 0.00 179.25 180.44 3kkk h ALA 41 N 1.12 1.32 -0.74 0.00 0.00 -0.85 -2.11 119.26 117.99 3kkk h ALA 41 Ca 0.22 -0.04 -0.03 0.00 0.00 0.00 0.00 54.91 55.07 3kkk h ALA 41 Cb 0.19 -0.33 -0.03 0.00 0.00 0.00 0.00 17.79 17.61 3kkk h ALA 41 CO -0.02 0.50 0.35 0.78 0.00 0.00 0.00 179.25 180.85 3kkk h GLY 42 N 1.21 1.16 1.24 0.00 0.00 -0.58 -2.46 103.07 103.64 3kkk h GLY 42 Ca 0.40 -0.59 -0.08 0.00 0.00 0.00 0.00 47.33 47.06 3kkk h GLY 42 CO -0.14 0.56 0.01 0.50 0.00 0.00 0.00 176.54 177.46 3kkk h LYS 43 N 1.05 0.91 -0.27 4.80 1.57 -0.78 -2.42 116.57 121.44 3kkk h LYS 43 Ca 0.25 -0.26 -0.08 0.00 -1.87 0.00 0.00 60.65 58.69 3kkk h LYS 43 Cb 0.14 -0.10 -0.01 0.00 0.08 0.00 0.00 32.23 32.34 3kkk h LYS 43 CO -0.03 0.90 -0.14 -0.92 -0.57 0.00 0.00 179.45 178.69 3kkk h TYR 44 N 0.85 0.66 -0.54 -1.35 3.20 -1.21 -1.47 116.97 117.10 3kkk h TYR 44 Ca 0.16 -0.17 -0.03 0.00 3.14 0.00 0.00 58.73 61.84 3kkk h TYR 44 Cb 0.49 -0.15 -0.02 0.00 1.54 0.00 0.00 36.73 38.59 3kkk h TYR 44 CO 0.03 0.83 0.24 -0.07 -1.64 0.00 0.00 178.16 177.54 3kkk h LEU 45 N 0.30 0.73 -0.40 2.82 3.38 -1.44 -2.20 115.31 118.50 3kkk h LEU 45 Ca 0.06 -0.15 -0.02 0.00 0.09 0.00 0.00 57.88 57.85 3kkk h LEU 45 Cb 0.66 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 41.21 3kkk h LEU 45 CO 0.04 0.68 0.16 0.50 0.09 0.00 0.00 178.44 179.91 3kkk h LYS 46 N 0.73 0.59 -0.96 1.13 3.64 -1.41 -0.15 116.57 120.15 3kkk h LYS 46 Ca 0.18 -0.11 0.11 0.00 -1.27 0.00 0.00 60.65 59.57 3kkk h LYS 46 Cb 0.16 -0.10 -0.08 0.00 -0.41 0.00 0.00 32.23 31.81 3kkk h LYS 46 CO -0.02 0.55 0.61 1.49 -2.27 0.00 0.00 179.45 179.82 3kkk h GLU 47 N 0.50 0.91 -0.36 1.90 4.81 -1.08 -0.12 114.58 121.13 3kkk h GLU 47 Ca 0.13 -0.05 0.00 0.00 -0.13 0.00 0.00 59.36 59.31 3kkk h GLU 47 Cb 0.18 -0.20 0.00 0.00 0.63 0.00 0.00 28.75 29.36 3kkk h GLU 47 CO -0.01 0.60 0.00 1.63 -0.73 0.00 0.00 179.01 180.50 3kkk n LYS 48 N -4.57 1.94 -3.04 1.92 4.76 -0.85 -4.95 118.16 113.38 3kkk n LYS 48 Ca 0.17 -1.46 -0.21 0.00 -2.87 0.00 0.00 58.31 53.95 3kkk n LYS 48 Cb 0.35 -1.35 0.04 0.00 -1.84 0.00 0.00 35.03 32.23 3kkk n LYS 48 CO 0.00 0.00 0.00 -1.71 -1.37 0.00 0.00 177.40 174.32 3kkk n ASN 49 N 0.68 -5.87 -4.68 4.39 5.15 -0.06 -4.97 115.26 109.90 3kkk n ASN 49 Ca 0.15 -0.30 -0.43 0.00 -0.60 0.00 0.00 54.58 53.40 3kkk n ASN 49 Cb 0.36 -4.66 -0.02 0.00 -0.53 0.00 0.00 39.78 34.92 3kkk n ASN 49 CO 0.00 0.00 0.00 -0.36 1.40 0.00 0.00 177.26 178.30 3kkk s PHE 50 N -3.16 3.14 0.21 1.20 0.08 -0.15 -5.02 117.98 114.28 3kkk s PHE 50 Ca 0.32 1.23 0.07 0.00 0.12 0.00 0.00 56.93 58.67 3kkk s PHE 50 Cb -0.14 -3.40 -0.04 0.00 -0.57 0.00 0.00 43.02 38.87 3kkk s PHE 50 CO 0.40 -1.20 0.06 0.15 -0.10 0.00 0.00 175.22 174.52 3kkk s LYS 51 N 2.72 2.55 -0.00 0.44 -0.14 -1.26 -4.67 119.74 119.38 3kkk s LYS 51 Ca 0.53 -1.14 0.01 0.00 -1.36 0.00 0.00 55.97 54.01 3kkk s LYS 51 Cb -0.22 -2.39 -0.00 0.00 -1.68 0.00 0.00 37.83 33.54 3kkk s LYS 51 CO 0.17 0.43 -0.03 -0.06 -0.76 0.00 0.00 175.35 175.10 3kkk s PHE 52 N -1.96 0.26 -0.09 3.18 0.08 -1.26 -4.81 117.98 113.37 3kkk s PHE 52 Ca 0.30 -0.07 0.21 0.00 0.12 0.00 0.00 56.93 57.49 3kkk s PHE 52 Cb -0.08 -0.17 -0.25 0.00 -0.57 0.00 0.00 43.02 41.95 3kkk s PHE 52 CO 0.21 -0.01 0.56 -0.25 -0.10 0.00 0.00 175.22 175.62 3kkk n ASP 53 N 2.93 0.22 -3.64 1.36 8.00 0.25 -4.88 116.55 120.79 3kkk n ASP 53 Ca -0.13 0.09 -0.15 0.00 0.71 0.00 0.00 54.79 55.30 3kkk n ASP 53 Cb 0.59 1.46 -0.08 0.00 -0.02 0.00 0.00 41.12 43.07 3kkk n ASP 53 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 3kkk s VAL 54 N -3.32 0.02 -0.13 2.53 0.11 -1.12 -4.24 120.40 114.25 3kkk s VAL 54 Ca -0.07 -0.17 0.02 0.00 -2.93 0.00 0.00 61.98 58.84 3kkk s VAL 54 Cb 0.12 -0.81 0.01 0.00 -1.53 0.00 0.00 36.38 34.17 3kkk s VAL 54 CO 0.87 -0.09 -0.20 -0.69 -3.33 0.00 0.00 175.10 171.65 3kkk s VAL 55 N -0.91 1.92 -0.16 2.04 1.01 -0.58 -2.26 120.40 121.47 3kkk s VAL 55 Ca -0.09 -0.90 -0.08 0.00 0.00 0.00 0.00 61.98 60.91 3kkk s VAL 55 Cb -0.03 -1.70 -0.04 0.00 0.00 0.00 0.00 36.38 34.61 3kkk s VAL 55 CO 0.06 0.52 0.11 -0.31 0.00 0.00 0.00 175.10 175.48 3kkk s TYR 56 N 0.81 3.42 0.29 5.22 2.02 0.09 -0.70 117.35 128.50 3kkk s TYR 56 Ca -0.08 0.34 0.02 0.00 -0.37 0.00 0.00 57.07 56.98 3kkk s TYR 56 Cb -0.16 -2.03 -0.01 0.00 -0.40 0.00 0.00 41.96 39.37 3kkk s TYR 56 CO -0.01 0.44 0.33 -2.37 -1.57 0.00 0.00 175.55 172.38 3kkk n THR 57 N 2.84 0.00 -2.17 -0.71 5.66 -0.27 -0.94 114.28 118.69 3kkk n THR 57 Ca -0.18 -1.78 -0.08 0.00 -3.05 0.00 0.00 64.05 58.97 3kkk n THR 57 Cb 0.53 0.98 0.04 0.00 -1.55 0.00 0.00 70.33 70.34 3kkk n THR 57 CO 0.00 0.00 0.00 -1.54 -3.05 0.00 0.00 175.07 170.48 3kkk n SER 58 N -1.79 0.35 -1.33 1.09 3.41 -1.26 -1.05 113.62 113.04 3kkk n SER 58 Ca 0.03 -1.32 0.11 0.00 -0.26 0.00 0.00 58.87 57.43 3kkk n SER 58 Cb 0.51 -0.22 0.31 0.00 -0.26 0.00 0.00 64.21 64.55 3kkk n SER 58 CO 0.00 0.00 0.00 1.33 -0.16 0.00 0.00 175.04 176.21 3kkk n VAL 59 N -1.97 1.10 -3.62 -3.33 0.24 -1.22 -4.13 118.33 105.40 3kkk n VAL 59 Ca 0.05 -0.97 -0.36 0.00 -2.04 0.00 0.00 64.34 61.03 3kkk n VAL 59 Cb 0.18 0.38 -0.07 0.00 -1.47 0.00 0.00 33.84 32.86 3kkk n VAL 59 CO 0.00 0.00 0.00 -0.76 -2.14 0.00 0.00 176.83 173.93 3kkk s LEU 60 N -1.17 4.24 0.56 1.34 1.43 -1.26 -4.99 118.68 118.83 3kkk s LEU 60 Ca 0.47 0.42 0.28 0.00 -1.03 0.00 0.00 54.13 54.27 3kkk s LEU 60 Cb 0.26 -2.27 1.65 0.00 0.03 0.00 0.00 46.19 45.86 3kkk s LEU 60 CO 0.30 0.15 2.18 0.07 0.23 0.00 0.00 176.35 179.28 3kkk h LYS 61 N 6.54 0.00 0.00 1.70 2.10 -1.88 -1.21 116.57 123.83 3kkk h LYS 61 Ca -0.42 0.00 -0.07 0.00 -2.00 0.00 0.00 60.65 58.16 3kkk h LYS 61 Cb 1.16 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 32.48 3kkk h LYS 61 CO 0.75 0.05 -0.34 0.07 -2.00 0.00 0.00 179.45 177.98 3kkk h ARG 62 N 0.00 0.00 0.11 0.07 0.11 -1.91 0.89 114.38 113.65 3kkk h ARG 62 Ca -0.00 0.00 -0.22 0.00 0.10 0.00 0.00 59.98 59.86 3kkk h ARG 62 Cb 0.12 0.00 0.01 0.00 1.11 0.00 0.00 29.97 31.21 3kkk h ARG 62 CO 0.01 0.34 -1.09 0.00 0.10 0.00 0.00 179.97 179.32 3kkk h ALA 63 N 1.66 0.07 -0.58 0.08 0.00 -1.58 -3.26 119.26 115.64 3kkk h ALA 63 Ca -0.00 -0.91 0.00 0.00 0.00 0.00 0.00 54.91 54.00 3kkk h ALA 63 Cb 0.63 0.32 -0.03 0.00 0.00 0.00 0.00 17.79 18.71 3kkk h ALA 63 CO 0.04 0.60 0.36 0.82 0.00 0.00 0.00 179.25 181.07 3kkk h ILE 64 N -0.41 1.16 0.00 0.00 2.04 -1.21 -1.79 117.51 117.30 3kkk h ILE 64 Ca -0.23 -0.34 -0.04 0.00 1.00 0.00 0.00 64.86 65.25 3kkk h ILE 64 Cb 1.65 0.35 -0.01 0.00 -0.74 0.00 0.00 36.82 38.07 3kkk h ILE 64 CO 0.08 0.17 -0.20 0.00 0.00 0.00 0.00 178.15 178.20 3kkk h THR 66 N 0.00 1.07 -0.98 0.00 2.02 -1.41 -2.06 112.91 111.55 3kkk h THR 66 Ca -0.00 -0.79 0.12 0.00 0.77 0.00 0.00 66.41 66.51 3kkk h THR 66 Cb 0.51 1.57 -0.09 0.00 -1.74 0.00 0.00 68.15 68.41 3kkk h THR 66 CO 0.03 0.19 0.61 0.00 0.37 0.00 0.00 175.52 176.71 3kkk h ALA 67 N 0.31 1.49 -0.14 6.16 0.00 -1.01 -1.76 119.26 124.29 3kkk h ALA 67 Ca -0.02 0.03 -0.07 0.00 0.00 0.00 0.00 54.91 54.85 3kkk h ALA 67 Cb 0.42 -0.19 -0.00 0.00 0.00 0.00 0.00 17.79 18.02 3kkk h ALA 67 CO 0.02 0.19 -0.18 -1.49 0.00 0.00 0.00 179.25 177.79 3kkk h TRP 68 N 0.95 0.46 -0.27 0.00 4.06 -1.30 -1.87 115.95 117.98 3kkk h TRP 68 Ca 0.49 -0.15 -0.03 0.00 2.06 0.00 0.00 58.89 61.26 3kkk h TRP 68 Cb 0.51 -0.09 -0.02 0.00 -1.00 0.00 0.00 29.16 28.56 3kkk h TRP 68 CO -0.01 0.80 0.03 -0.91 -3.56 0.00 0.00 178.44 174.79 3kkk h ASN 69 N -0.01 0.37 0.25 -3.49 2.35 -1.16 -0.08 115.58 113.82 3kkk h ASN 69 Ca 0.02 -0.05 -0.01 0.00 -0.55 0.00 0.00 56.30 55.71 3kkk h ASN 69 Cb 0.74 -0.09 0.00 0.00 0.05 0.00 0.00 38.32 39.02 3kkk h ASN 69 CO 0.04 0.40 -0.12 0.58 -1.65 0.00 0.00 177.43 176.69 3kkk h VAL 70 N 0.39 0.75 -0.98 2.81 2.07 -1.27 -1.87 116.25 118.15 3kkk h VAL 70 Ca 0.09 -0.78 0.10 0.00 0.82 0.00 0.00 66.70 66.93 3kkk h VAL 70 Cb 0.21 1.14 -0.08 0.00 -1.52 0.00 0.00 31.29 31.05 3kkk h VAL 70 CO 0.00 0.15 0.62 -0.07 0.02 0.00 0.00 177.57 178.29 3kkk h LEU 71 N -0.79 0.94 -0.32 2.57 3.38 -1.25 0.23 115.31 120.07 3kkk h LEU 71 Ca -0.03 0.04 -0.06 0.00 0.09 0.00 0.00 57.88 57.91 3kkk h LEU 71 Cb 0.51 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 41.09 3kkk h LEU 71 CO 0.06 0.54 -0.05 0.50 0.09 0.00 0.00 178.44 179.57 3kkk h LYS 72 N 1.03 0.59 -0.22 1.13 3.64 -1.02 0.22 116.57 121.95 3kkk h LYS 72 Ca 0.46 -0.22 -0.15 0.00 -1.27 0.00 0.00 60.65 59.48 3kkk h LYS 72 Cb 0.37 -0.04 -0.01 0.00 -0.41 0.00 0.00 32.23 32.14 3kkk h LYS 72 CO -0.23 0.76 -0.48 1.15 -2.27 0.00 0.00 179.45 178.38 3kkk h THR 73 N 0.37 1.31 0.00 1.00 2.02 -0.93 -2.74 112.91 113.95 3kkk h THR 73 Ca 0.08 -1.69 0.00 0.00 0.77 0.00 0.00 66.41 65.57 3kkk h THR 73 Cb 0.53 1.66 0.00 0.00 -1.74 0.00 0.00 68.15 68.60 3kkk h THR 73 CO 0.03 0.53 0.00 0.00 0.37 0.00 0.00 175.52 176.45 3kkk n ALA 74 N -2.52 2.25 -3.35 6.16 0.00 0.78 -4.79 120.51 119.04 3kkk n ALA 74 Ca -0.03 -0.11 -0.17 0.00 0.00 0.00 0.00 53.44 53.14 3kkk n ALA 74 Cb 0.57 -1.42 0.08 0.00 0.00 0.00 0.00 19.45 18.68 3kkk n ALA 74 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 3kkk n ASP 75 N -1.38 -2.43 -2.39 0.00 -0.08 -0.21 -4.94 116.55 105.11 3kkk n ASP 75 Ca 0.10 -0.57 -0.14 0.00 -1.51 0.00 0.00 54.79 52.67 3kkk n ASP 75 Cb 0.25 -4.82 0.03 0.00 2.34 0.00 0.00 41.12 38.92 3kkk n ASP 75 CO 0.00 0.00 0.00 0.18 0.12 0.00 0.00 177.20 177.50 3kkk n LEU 76 N -4.00 3.44 0.28 -2.67 4.77 0.61 -4.89 117.00 114.55 3kkk n LEU 76 Ca -0.24 -4.03 0.19 0.00 -0.03 0.00 0.00 56.01 51.89 3kkk n LEU 76 Cb 0.65 0.01 0.85 0.00 -2.33 0.00 0.00 43.42 42.60 3kkk n LEU 76 CO 0.57 1.66 1.04 -0.07 -1.33 0.00 0.00 177.39 179.26 3kkk h LEU 77 N 2.40 0.00 -0.54 2.23 3.38 -1.92 -2.21 115.31 118.64 3kkk h LEU 77 Ca 0.14 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.11 3kkk h LEU 77 Cb 1.39 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.14 3kkk h LEU 77 CO 0.52 0.00 0.00 0.00 0.09 0.00 0.00 178.44 179.05 3kkk n HIS 78 N -2.98 0.75 -2.41 1.13 1.44 -1.26 -4.84 115.22 107.04 3kkk n HIS 78 Ca -0.01 0.28 -0.42 0.00 -2.01 0.00 0.00 57.72 55.57 3kkk n HIS 78 Cb 0.21 -0.95 -0.03 0.00 0.12 0.00 0.00 29.99 29.33 3kkk n HIS 78 CO 0.00 0.00 0.00 0.08 -2.81 0.00 0.00 176.34 173.61 3kkk s VAL 79 N -3.26 3.89 0.40 0.61 1.01 -0.83 -4.98 120.40 117.24 3kkk s VAL 79 Ca 0.05 1.42 -0.27 0.00 0.00 0.00 0.00 61.98 63.19 3kkk s VAL 79 Cb 0.10 -3.91 -0.09 0.00 0.00 0.00 0.00 36.38 32.48 3kkk s VAL 79 CO 0.41 0.15 1.36 -2.16 0.00 0.00 0.00 175.10 174.86 3kkk s PRO 80 N 0.66 4.00 -0.17 2.72 0.04 -1.26 -4.85 135.00 136.15 3kkk s PRO 80 Ca 0.57 2.29 -0.04 0.00 0.04 0.00 0.00 61.00 63.86 3kkk s PRO 80 Cb -0.30 -2.83 -0.02 0.00 0.04 0.00 0.00 34.50 31.38 3kkk s PRO 80 CO 0.31 -0.51 -0.03 0.08 0.04 0.00 0.00 177.00 176.89 3kkk s VAL 81 N -1.21 3.80 -0.21 -0.36 1.01 -1.26 -1.52 120.40 120.66 3kkk s VAL 81 Ca 0.56 -0.38 -0.03 0.00 0.00 0.00 0.00 61.98 62.13 3kkk s VAL 81 Cb -0.41 -2.68 -0.00 0.00 0.00 0.00 0.00 36.38 33.28 3kkk s VAL 81 CO 0.53 0.47 -0.07 -0.69 0.00 0.00 0.00 175.10 175.35 3kkk s VAL 82 N 0.64 3.19 -0.18 2.92 1.01 0.12 -4.99 120.40 123.12 3kkk s VAL 82 Ca -0.02 -0.56 -0.07 0.00 0.00 0.00 0.00 61.98 61.33 3kkk s VAL 82 Cb -0.14 -2.44 -0.04 0.00 0.00 0.00 0.00 36.38 33.76 3kkk s VAL 82 CO 0.02 0.44 0.04 -0.54 0.00 0.00 0.00 175.10 175.07 3kkk s LYS 83 N 1.40 3.92 -0.02 2.72 1.02 -1.26 -1.12 119.74 126.40 3kkk s LYS 83 Ca 0.05 -0.37 -0.01 0.00 0.02 0.00 0.00 55.97 55.65 3kkk s LYS 83 Cb -0.14 -3.16 0.01 0.00 -0.52 0.00 0.00 37.83 34.02 3kkk s LYS 83 CO -0.04 0.28 0.04 -0.08 -0.92 0.00 0.00 175.35 174.63 3kkk s THR 84 N 0.34 -0.02 0.47 2.17 -1.32 -0.21 -4.86 115.64 112.22 3kkk s THR 84 Ca 0.02 0.06 0.13 0.00 -1.21 0.00 0.00 61.69 60.69 3kkk s THR 84 Cb -0.13 -0.08 0.28 0.00 -1.51 0.00 0.00 72.50 71.07 3kkk s THR 84 CO 0.01 0.02 2.09 4.11 -2.21 0.00 0.00 174.62 178.64 3kkk h TRP 85 N 6.41 0.22 -0.21 9.09 5.08 -1.90 -2.37 115.95 132.27 3kkk h TRP 85 Ca -0.30 0.01 0.06 0.00 1.08 0.00 0.00 58.89 59.74 3kkk h TRP 85 Cb 1.19 -0.07 -0.01 0.00 -3.00 0.00 0.00 29.16 27.26 3kkk h TRP 85 CO 0.43 0.13 0.30 0.00 -1.28 0.00 0.00 178.44 178.03 3kkk h ARG 86 N 0.23 0.00 -0.44 0.12 3.08 -1.94 0.93 114.38 116.36 3kkk h ARG 86 Ca 0.10 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.15 3kkk h ARG 86 Cb 0.10 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.15 3kkk h ARG 86 CO -0.02 0.00 0.00 1.28 -1.07 0.00 0.00 179.97 180.16 3kkk n LEU 87 N -3.54 2.90 -4.70 3.04 4.77 -0.89 -4.15 117.00 114.43 3kkk n LEU 87 Ca 0.03 -1.35 -0.36 0.00 -0.03 0.00 0.00 56.01 54.29 3kkk n LEU 87 Cb 0.43 -0.29 0.08 0.00 -2.33 0.00 0.00 43.42 41.31 3kkk n LEU 87 CO 0.24 0.68 0.80 0.59 -1.33 0.00 0.00 177.39 178.37 3kkk n ASN 88 N 1.10 1.57 -4.40 -1.43 4.13 0.32 -4.45 115.26 112.10 3kkk n ASN 88 Ca 0.19 0.76 -0.35 0.00 1.68 0.00 0.00 54.58 56.86 3kkk n ASN 88 Cb 0.49 -1.52 0.09 0.00 -1.54 0.00 0.00 39.78 37.30 3kkk n ASN 88 CO 0.00 0.00 0.00 1.21 0.28 0.00 0.00 177.26 178.75 3kkk n GLU 89 N -2.11 -0.02 -1.78 3.52 4.07 -1.26 -4.53 120.64 118.53 3kkk n GLU 89 Ca 0.15 0.04 -0.42 0.00 -0.06 0.00 0.00 57.16 56.87 3kkk n GLU 89 Cb 0.49 -1.77 -0.03 0.00 -0.06 0.00 0.00 31.44 30.07 3kkk n GLU 89 CO 0.00 0.00 0.00 0.50 -0.06 0.00 0.00 177.13 177.57 3kkk s ARG 90 N -3.10 4.15 0.24 5.31 3.52 -1.26 -4.70 118.95 123.11 3kkk s ARG 90 Ca 0.59 2.54 -0.30 0.00 -0.13 0.00 0.00 55.73 58.43 3kkk s ARG 90 Cb -0.27 -3.27 -0.09 0.00 -1.56 0.00 0.00 34.95 29.75 3kkk s ARG 90 CO 0.65 -0.75 1.26 -1.58 -0.81 0.00 0.00 175.30 174.07 3kkk s HIS 91 N 1.72 3.29 -0.25 5.12 5.65 -1.26 -4.31 115.29 125.25 3kkk s HIS 91 Ca 0.76 1.37 0.13 0.00 0.25 0.00 0.00 55.06 57.57 3kkk s HIS 91 Cb -0.47 -3.54 0.67 0.00 -1.18 0.00 0.00 32.58 28.06 3kkk s HIS 91 CO 0.33 -1.56 1.63 0.00 -0.65 0.00 0.00 174.74 174.48 3kkk n GLY 93 N -0.17 2.28 0.00 0.00 0.00 -1.26 -2.28 105.19 103.76 3kkk n GLY 93 Ca 0.30 -0.36 0.10 0.00 0.00 0.00 0.00 46.02 46.06 3kkk n GLY 93 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3kkk n SER 94 N -0.29 0.00 0.25 1.61 3.41 -0.41 -2.72 113.62 115.47 3kkk n SER 94 Ca 0.00 -0.08 0.14 0.00 -0.26 0.00 0.00 58.87 58.68 3kkk n SER 94 Cb 0.00 -0.25 0.41 0.00 -0.26 0.00 0.00 64.21 64.11 3kkk n SER 94 CO 0.00 0.00 0.00 -0.07 -0.16 0.00 0.00 175.04 174.81 3kkk h LEU 95 N 0.00 0.00 -9.34 1.04 3.38 -1.70 -3.45 115.31 105.24 3kkk h LEU 95 Ca 0.00 0.00 -0.58 0.00 0.09 0.00 0.00 57.88 57.39 3kkk h LEU 95 Cb 0.16 0.00 0.02 0.00 0.09 0.00 0.00 40.66 40.93 3kkk h LEU 95 CO 0.00 0.00 1.12 0.00 0.09 0.00 0.00 178.44 179.65 3kkk n GLN 96 N -3.10 2.44 0.00 1.13 6.02 -1.10 -1.34 117.38 121.43 3kkk n GLN 96 Ca 0.02 0.89 0.00 0.00 -0.01 0.00 0.00 57.00 57.91 3kkk n GLN 96 Cb 0.43 -2.77 0.00 0.00 1.02 0.00 0.00 30.24 28.92 3kkk n GLN 96 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3kkk n GLY 97 N 4.35 3.12 3.84 1.08 0.00 -0.64 -5.03 105.19 111.92 3kkk n GLY 97 Ca 0.21 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.88 3kkk n GLY 97 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3kkk s LEU 98 N 0.00 4.34 0.43 0.99 1.43 -0.45 -4.87 118.68 120.55 3kkk s LEU 98 Ca 0.00 1.17 -0.09 0.00 -1.03 0.00 0.00 54.13 54.18 3kkk s LEU 98 Cb 0.00 -3.36 -0.05 0.00 0.03 0.00 0.00 46.19 42.81 3kkk s LEU 98 CO 0.00 0.08 0.77 0.54 0.23 0.00 0.00 176.35 177.97 3kkk s ASN 99 N -1.70 6.43 0.31 2.29 2.20 -1.26 -2.12 114.94 121.08 3kkk s ASN 99 Ca 0.39 1.06 0.11 0.00 -0.94 0.00 0.00 52.86 53.48 3kkk s ASN 99 Cb -0.15 -2.29 0.51 0.00 -2.00 0.00 0.00 41.25 37.31 3kkk s ASN 99 CO 0.20 -0.46 1.70 0.11 -2.94 0.00 0.00 177.10 175.71 3kkk h LYS 100 N 0.90 0.01 -0.20 3.55 1.57 -1.36 -1.66 116.57 119.37 3kkk h LYS 100 Ca -0.47 -0.00 -0.11 0.00 -1.87 0.00 0.00 60.65 58.20 3kkk h LYS 100 Cb 1.19 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 33.50 3kkk h LYS 100 CO 0.63 0.52 -0.29 0.66 -0.57 0.00 0.00 179.45 180.40 3kkk h SER 101 N 0.01 0.60 -0.91 0.86 4.64 -1.95 -2.86 113.55 113.94 3kkk h SER 101 Ca -0.00 -0.52 0.04 0.00 -0.47 0.00 0.00 61.79 60.84 3kkk h SER 101 Cb 0.91 -0.17 -0.05 0.00 -0.31 0.00 0.00 62.40 62.77 3kkk h SER 101 CO 0.07 1.00 0.60 -0.33 -0.87 0.00 0.00 176.83 177.30 3kkk h GLU 102 N 0.22 1.09 -0.04 4.77 5.08 -1.84 -2.74 114.58 121.12 3kkk h GLU 102 Ca 0.02 -0.07 -0.13 0.00 -1.00 0.00 0.00 59.36 58.18 3kkk h GLU 102 Cb 0.87 -0.25 -0.01 0.00 0.50 0.00 0.00 28.75 29.86 3kkk h GLU 102 CO 0.07 0.72 -0.57 0.00 -1.00 0.00 0.00 179.01 178.23 3kkk h THR 103 N 1.12 1.39 -0.62 1.13 1.03 -1.31 -3.02 112.91 112.62 3kkk h THR 103 Ca 0.37 -1.92 -0.06 0.00 -0.01 0.00 0.00 66.41 64.80 3kkk h THR 103 Cb 0.05 1.99 -0.03 0.00 -1.07 0.00 0.00 68.15 69.10 3kkk h THR 103 CO -0.12 0.56 0.16 0.00 -0.01 0.00 0.00 175.52 176.11 3kkk h ALA 104 N 1.32 0.82 -0.77 0.00 0.00 -1.24 -1.87 119.26 117.52 3kkk h ALA 104 Ca -0.00 -0.23 -0.02 0.00 0.00 0.00 0.00 54.91 54.66 3kkk h ALA 104 Cb 1.03 -0.24 -0.04 0.00 0.00 0.00 0.00 17.79 18.54 3kkk h ALA 104 CO 0.08 0.52 0.41 0.87 0.00 0.00 0.00 179.25 181.13 3kkk h LYS 105 N 0.91 1.07 0.00 0.00 6.56 -1.41 0.24 116.57 123.94 3kkk h LYS 105 Ca 0.20 -0.13 -0.00 0.00 -1.06 0.00 0.00 60.65 59.66 3kkk h LYS 105 Cb 0.34 -0.21 0.00 0.00 -0.57 0.00 0.00 32.23 31.80 3kkk h LYS 105 CO 0.00 0.80 -0.00 -0.22 -2.06 0.00 0.00 179.45 177.97 3kkk h LYS 106 N 1.08 0.00 0.00 3.15 3.64 -1.44 -3.40 116.57 119.60 3kkk h LYS 106 Ca 0.27 -0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.65 3kkk h LYS 106 Cb 0.05 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.87 3kkk h LYS 106 CO -0.04 0.84 -1.62 0.66 -2.27 0.00 0.00 179.45 177.02 3kkk n TYR 107 N -4.69 0.00 0.00 1.91 4.01 -0.72 -5.11 117.16 112.57 3kkk n TYR 107 Ca -0.10 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.64 3kkk n TYR 107 Cb 0.41 -0.33 0.00 0.00 -0.31 0.00 0.00 39.34 39.11 3kkk n TYR 107 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3kkk n GLY 108 N 1.50 0.81 0.23 2.72 0.00 0.83 -4.59 105.19 106.69 3kkk n GLY 108 Ca -0.02 -1.50 -0.04 0.00 0.00 0.00 0.00 46.02 44.45 3kkk n GLY 108 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 3kkk h GLU 109 N 0.00 0.48 -0.24 1.61 4.81 -1.90 -2.29 114.58 117.05 3kkk h GLU 109 Ca 0.00 -0.20 -0.17 0.00 -0.13 0.00 0.00 59.36 58.87 3kkk h GLU 109 Cb 0.00 -0.02 -0.00 0.00 0.63 0.00 0.00 28.75 29.36 3kkk h GLU 109 CO 0.00 0.73 -0.52 0.93 -0.73 0.00 0.00 179.01 179.42 3kkk h GLU 110 N 0.42 0.68 -0.29 1.92 4.39 -1.95 -1.13 114.58 118.62 3kkk h GLU 110 Ca 0.05 -0.42 -0.10 0.00 0.34 0.00 0.00 59.36 59.24 3kkk h GLU 110 Cb 0.74 0.04 -0.01 0.00 -0.10 0.00 0.00 28.75 29.42 3kkk h GLU 110 CO 0.06 1.03 -0.24 0.37 -1.16 0.00 0.00 179.01 179.08 3kkk h GLN 111 N 0.53 0.56 -0.45 2.33 5.75 -1.77 -2.11 115.11 119.95 3kkk h GLN 111 Ca 0.02 -0.21 -0.13 0.00 -0.15 0.00 0.00 58.65 58.17 3kkk h GLN 111 Cb 1.09 -0.03 -0.01 0.00 1.07 0.00 0.00 27.48 29.59 3kkk h GLN 111 CO 0.11 0.75 -0.24 0.28 -2.65 0.00 0.00 178.83 177.07 3kkk h VAL 112 N 0.49 1.27 -0.55 2.39 2.07 -1.26 -2.73 116.25 117.94 3kkk h VAL 112 Ca 0.07 -1.40 0.03 0.00 0.82 0.00 0.00 66.70 66.23 3kkk h VAL 112 Cb 0.67 1.18 -0.04 0.00 -1.52 0.00 0.00 31.29 31.59 3kkk h VAL 112 CO 0.05 0.48 0.31 0.11 0.02 0.00 0.00 177.57 178.54 3kkk h LYS 113 N 0.80 0.59 -0.74 1.57 1.57 -0.98 -0.71 116.57 118.67 3kkk h LYS 113 Ca 0.10 -0.04 0.07 0.00 -1.87 0.00 0.00 60.65 58.92 3kkk h LYS 113 Cb 0.81 -0.13 -0.06 0.00 0.08 0.00 0.00 32.23 32.92 3kkk h LYS 113 CO 0.07 0.39 0.41 0.82 -0.57 0.00 0.00 179.45 180.58 3kkk h ILE 114 N 0.61 0.94 0.00 1.86 2.04 -1.28 0.34 117.51 122.02 3kkk h ILE 114 Ca 0.23 -0.25 -0.11 0.00 1.00 0.00 0.00 64.86 65.73 3kkk h ILE 114 Cb 0.07 0.14 -0.02 0.00 -0.74 0.00 0.00 36.82 36.28 3kkk h ILE 114 CO -0.12 0.13 -0.51 -0.50 0.00 0.00 0.00 178.15 177.15 3kkk h TRP 115 N 0.73 0.00 0.22 1.37 6.55 -1.12 -1.41 115.95 122.30 3kkk h TRP 115 Ca 0.34 0.00 -0.32 0.00 0.95 0.00 0.00 58.89 59.86 3kkk h TRP 115 Cb 0.26 0.00 0.03 0.00 -0.86 0.00 0.00 29.16 28.59 3kkk h TRP 115 CO -0.07 0.51 -1.43 0.00 -1.05 0.00 0.00 178.44 176.40 3kkk h ARG 116 N 0.00 0.47 0.00 0.49 3.08 -0.45 -3.42 114.38 114.55 3kkk h ARG 116 Ca -0.01 -0.81 0.00 0.00 0.07 0.00 0.00 59.98 59.24 3kkk h ARG 116 Cb 0.96 0.30 0.00 0.00 0.08 0.00 0.00 29.97 31.31 3kkk h ARG 116 CO 0.07 1.38 -0.80 0.54 -1.07 0.00 0.00 179.97 180.09 3kkk n ARG 117 N -3.67 2.62 -1.59 0.04 1.74 0.11 -5.03 116.66 110.89 3kkk n ARG 117 Ca -0.15 -0.03 -0.29 0.00 -0.77 0.00 0.00 57.85 56.61 3kkk n ARG 117 Cb 1.09 -1.03 0.13 0.00 -1.02 0.00 0.00 32.46 31.63 3kkk n ARG 117 CO 0.00 0.00 0.00 -1.54 -1.52 0.00 0.00 177.63 174.57 3kkk s SER 118 N -2.30 3.55 -0.13 0.55 1.04 -0.53 -4.95 113.70 110.93 3kkk s SER 118 Ca 0.01 0.90 -0.04 0.00 0.48 0.00 0.00 55.95 57.30 3kkk s SER 118 Cb 0.06 -1.43 -0.25 0.00 0.10 0.00 0.00 66.02 64.50 3kkk s SER 118 CO 0.36 -2.52 0.32 0.00 0.98 0.00 0.00 173.24 172.38 3kkk n TYR 119 N -3.74 1.09 -0.87 5.02 9.36 -1.26 -4.55 117.16 122.21 3kkk n TYR 119 Ca 0.07 0.24 0.02 0.00 3.32 0.00 0.00 57.90 61.55 3kkk n TYR 119 Cb 0.59 -1.15 0.03 0.00 -0.63 0.00 0.00 39.34 38.19 3kkk n TYR 119 CO 0.00 0.00 0.00 -0.40 0.22 0.00 0.00 176.86 176.68 3kkk n ASP 120 N -3.41 1.13 -4.14 2.98 5.68 -1.26 -1.47 116.55 116.06 3kkk n ASP 120 Ca -0.32 -1.94 -0.34 0.00 -0.50 0.00 0.00 54.79 51.69 3kkk n ASP 120 Cb 1.04 -0.12 -0.14 0.00 -1.14 0.00 0.00 41.12 40.76 3kkk n ASP 120 CO 0.00 0.00 0.00 -0.63 -1.33 0.00 0.00 177.20 175.24 3kkk s ILE 121 N -0.92 2.80 0.53 2.12 1.01 -1.26 -4.94 121.20 120.54 3kkk s ILE 121 Ca 0.07 -1.54 -0.08 0.00 0.00 0.00 0.00 60.65 59.09 3kkk s ILE 121 Cb 0.06 -2.66 -0.04 0.00 0.01 0.00 0.00 42.46 39.82 3kkk s ILE 121 CO 0.01 -0.16 0.89 -2.16 0.00 0.00 0.00 174.94 173.51 3kkk s PRO 122 N 1.19 3.58 1.09 2.79 0.04 -1.26 -4.54 135.00 137.90 3kkk s PRO 122 Ca -0.04 0.45 -0.14 0.00 0.04 0.00 0.00 61.00 61.30 3kkk s PRO 122 Cb -0.20 -2.25 0.23 0.00 0.04 0.00 0.00 34.50 32.32 3kkk s PRO 122 CO -0.03 -0.34 1.08 -1.25 0.04 0.00 0.00 177.00 176.51 3kkk s PRO 123 N -4.86 -0.30 0.32 0.56 0.04 -1.26 -4.93 135.00 124.56 3kkk s PRO 123 Ca 0.51 0.37 -0.29 0.00 0.04 0.00 0.00 61.00 61.63 3kkk s PRO 123 Cb -0.11 -1.66 -0.12 0.00 0.04 0.00 0.00 34.50 32.65 3kkk s PRO 123 CO 0.48 -3.19 1.53 -2.30 0.04 0.00 0.00 177.00 173.56 3kkk n PRO 124 N -4.47 2.62 -2.80 0.56 -0.02 -1.26 -4.80 135.00 124.83 3kkk n PRO 124 Ca 0.07 0.93 -0.37 0.00 -2.02 0.00 0.00 63.50 62.11 3kkk n PRO 124 Cb 0.58 -2.67 -0.06 0.00 -0.02 0.00 0.00 33.50 31.32 3kkk n PRO 124 CO 0.00 0.00 0.00 -1.59 1.98 0.00 0.00 175.50 175.89 3kkk s LYS 125 N -1.14 4.53 0.61 -0.52 -2.85 -1.26 -1.29 119.74 117.83 3kkk s LYS 125 Ca 0.60 1.28 -0.18 0.00 -1.00 0.00 0.00 55.97 56.67 3kkk s LYS 125 Cb -0.50 -2.75 -0.03 0.00 -2.06 0.00 0.00 37.83 32.50 3kkk s LYS 125 CO 0.55 0.26 1.20 -0.51 0.10 0.00 0.00 175.35 176.95 3kkk s LEU 126 N -2.16 3.61 0.51 2.77 1.43 -0.14 -4.61 118.68 120.09 3kkk s LEU 126 Ca 0.51 2.37 -0.16 0.00 -1.03 0.00 0.00 54.13 55.81 3kkk s LEU 126 Cb -0.18 -4.60 -0.08 0.00 0.03 0.00 0.00 46.19 41.37 3kkk s LEU 126 CO 0.23 -1.67 0.97 -0.62 0.23 0.00 0.00 176.35 175.49 3kkk s ASP 127 N -1.69 6.62 0.46 2.29 -1.08 -1.26 -4.86 116.67 117.16 3kkk s ASP 127 Ca 0.77 1.54 0.13 0.00 -0.52 0.00 0.00 52.55 54.46 3kkk s ASP 127 Cb -0.30 -2.50 1.05 0.00 -1.46 0.00 0.00 42.92 39.72 3kkk s ASP 127 CO 0.35 -0.57 2.06 0.50 0.52 0.00 0.00 175.17 178.03 3kkk h LYS 128 N 0.96 0.15 -0.00 4.34 3.64 -2.00 -2.33 116.57 121.33 3kkk h LYS 128 Ca -0.47 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 58.90 3kkk h LYS 128 Cb 1.18 -0.03 0.00 0.00 -0.41 0.00 0.00 32.23 32.98 3kkk h LYS 128 CO 0.62 0.17 -0.11 0.39 -2.27 0.00 0.00 179.45 178.25 3kkk n GLU 129 N -4.44 0.27 -2.27 1.90 4.71 -1.26 -4.89 120.64 114.65 3kkk n GLU 129 Ca -0.01 -0.06 -0.40 0.00 -0.01 0.00 0.00 57.16 56.67 3kkk n GLU 129 Cb 0.14 -1.50 -0.03 0.00 -1.01 0.00 0.00 31.44 29.05 3kkk n GLU 129 CO 0.00 0.00 0.00 0.34 0.09 0.00 0.00 177.13 177.56 3kkk s ASP 130 N -2.77 6.93 0.57 1.62 -1.08 -0.88 -4.92 116.67 116.14 3kkk s ASP 130 Ca 0.20 2.49 0.25 0.00 -0.52 0.00 0.00 52.55 54.98 3kkk s ASP 130 Cb 0.19 -2.64 1.61 0.00 -1.46 0.00 0.00 42.92 40.62 3kkk s ASP 130 CO 0.53 -0.40 2.18 -1.13 0.52 0.00 0.00 175.17 176.87 3kkk h ASN 131 N 3.45 0.00 0.68 -0.34 -0.73 -1.90 -2.57 115.58 114.17 3kkk h ASN 131 Ca -0.48 0.00 0.00 0.00 1.87 0.00 0.00 56.30 57.69 3kkk h ASN 131 Cb 1.22 0.00 0.00 0.00 0.27 0.00 0.00 38.32 39.81 3kkk h ASN 131 CO 0.66 0.00 -0.22 0.54 -0.37 0.00 0.00 177.43 178.04 3kkk n ARG 132 N -4.07 0.14 -1.91 6.67 1.74 -1.26 -4.86 116.66 113.11 3kkk n ARG 132 Ca -0.01 -0.05 -0.42 0.00 -0.77 0.00 0.00 57.85 56.60 3kkk n ARG 132 Cb 0.17 -1.50 -0.03 0.00 -1.02 0.00 0.00 32.46 30.08 3kkk n ARG 132 CO 0.00 0.00 0.00 -0.46 -1.52 0.00 0.00 177.63 175.65 3kkk s TRP 133 N -2.89 1.76 0.58 -1.55 -0.00 -0.97 -4.87 118.94 111.00 3kkk s TRP 133 Ca 0.16 0.04 0.30 0.00 -0.00 0.00 0.00 56.10 56.60 3kkk s TRP 133 Cb 0.19 -4.01 1.40 0.00 -0.00 0.00 0.00 33.47 31.04 3kkk s TRP 133 CO 0.58 -4.29 1.78 -1.35 -0.00 0.00 0.00 176.95 173.68 3kkk h PRO 134 N 10.10 0.00 0.00 5.86 0.11 -1.89 -0.20 132.00 145.98 3kkk h PRO 134 Ca -0.42 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.69 3kkk h PRO 134 Cb 1.19 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.30 3kkk h PRO 134 CO 0.95 0.00 0.04 0.78 -0.21 0.00 0.00 178.00 179.56 3kkk h GLY 135 N 0.00 0.00 -0.15 -0.55 0.00 -1.90 -0.37 103.07 100.09 3kkk h GLY 135 Ca 0.32 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.65 3kkk h GLY 135 CO -0.00 0.00 -0.31 1.42 0.00 0.00 0.00 176.54 177.64 3kkk n HIS 136 N -2.98 0.00 -3.40 5.60 8.25 -0.09 -4.89 115.22 117.71 3kkk n HIS 136 Ca -0.03 0.00 -0.38 0.00 -0.26 0.00 0.00 57.72 57.05 3kkk n HIS 136 Cb 0.10 -0.08 -0.08 0.00 1.12 0.00 0.00 29.99 31.05 3kkk n HIS 136 CO 0.00 0.00 0.00 1.21 0.64 0.00 0.00 176.34 178.19 3kkk s ASN 137 N -2.48 6.38 0.60 0.41 3.84 -0.15 -4.97 114.94 118.58 3kkk s ASN 137 Ca 0.23 0.45 0.38 0.00 0.21 0.00 0.00 52.86 54.13 3kkk s ASN 137 Cb 0.19 -2.22 1.90 0.00 -0.55 0.00 0.00 41.25 40.56 3kkk s ASN 137 CO 0.53 -0.10 2.19 -0.37 -2.79 0.00 0.00 177.10 176.56 3kkk h VAL 138 N 5.11 0.10 -0.79 -5.21 -1.51 -1.90 -1.54 116.25 110.50 3kkk h VAL 138 Ca -0.35 -0.27 0.19 0.00 -1.23 0.00 0.00 66.70 65.05 3kkk h VAL 138 Cb 1.16 1.24 -0.05 0.00 -2.13 0.00 0.00 31.29 31.51 3kkk h VAL 138 CO 0.70 0.02 0.54 0.58 -1.23 0.00 0.00 177.57 178.18 3kkk h VAL 139 N 0.00 0.69 -0.43 7.19 2.07 -1.93 -2.18 116.25 121.66 3kkk h VAL 139 Ca -0.00 -0.08 -0.03 0.00 0.82 0.00 0.00 66.70 67.41 3kkk h VAL 139 Cb 0.23 0.43 -0.02 0.00 -1.52 0.00 0.00 31.29 30.41 3kkk h VAL 139 CO 0.00 0.04 0.03 -1.22 0.02 0.00 0.00 177.57 176.44 3kkk n TYR 140 N -4.42 1.53 0.29 1.57 4.01 -0.58 -4.65 117.16 114.91 3kkk n TYR 140 Ca 0.16 -0.89 0.14 0.00 -0.16 0.00 0.00 57.90 57.15 3kkk n TYR 140 Cb 0.70 -0.44 0.85 0.00 -0.31 0.00 0.00 39.34 40.14 3kkk n TYR 140 CO 0.00 0.00 0.00 1.57 -0.46 0.00 0.00 176.86 177.97 3kkk h LYS 141 N 2.66 0.00 -0.01 -0.72 2.10 -1.49 -0.92 116.57 118.19 3kkk h LYS 141 Ca 0.04 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.69 3kkk h LYS 141 Cb 1.75 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 33.08 3kkk h LYS 141 CO 0.39 0.04 -0.22 0.09 -2.00 0.00 0.00 179.45 177.74 3kkk n ASN 142 N -3.84 1.18 -4.71 7.07 3.02 -1.26 -4.85 115.26 111.87 3kkk n ASN 142 Ca -0.03 -1.04 -0.35 0.00 -0.03 0.00 0.00 54.58 53.13 3kkk n ASN 142 Cb 0.12 0.12 -0.08 0.00 -0.61 0.00 0.00 39.78 39.33 3kkk n ASN 142 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 3kkk s VAL 143 N -2.40 5.21 0.31 2.41 1.01 -0.35 -5.07 120.40 121.51 3kkk s VAL 143 Ca 0.27 0.12 -0.29 0.00 0.00 0.00 0.00 61.98 62.07 3kkk s VAL 143 Cb 0.19 -3.36 -0.12 0.00 0.00 0.00 0.00 36.38 33.10 3kkk s VAL 143 CO 0.49 0.46 1.42 -2.65 0.00 0.00 0.00 175.10 174.82 3kkk n PRO 144 N 3.39 2.33 -0.15 2.72 -0.02 -1.26 -4.88 135.00 137.12 3kkk n PRO 144 Ca -0.17 0.82 0.06 0.00 -2.02 0.00 0.00 63.50 62.20 3kkk n PRO 144 Cb 0.52 -2.49 0.37 0.00 -0.02 0.00 0.00 33.50 31.88 3kkk n PRO 144 CO 0.00 0.00 0.00 0.87 1.98 0.00 0.00 175.50 178.35 3kkk h LYS 145 N 3.56 0.69 -0.03 -0.52 1.57 -1.96 -1.63 116.57 118.25 3kkk h LYS 145 Ca -0.47 -0.04 0.01 0.00 -1.87 0.00 0.00 60.65 58.28 3kkk h LYS 145 Cb 1.26 -0.16 -0.00 0.00 0.08 0.00 0.00 32.23 33.41 3kkk h LYS 145 CO 0.70 0.46 0.03 -0.44 -0.57 0.00 0.00 179.45 179.62 3kkk h ASP 146 N 0.71 0.00 0.70 0.86 3.32 -2.02 -0.13 116.42 119.86 3kkk h ASP 146 Ca 0.28 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.33 3kkk h ASP 146 Cb 0.21 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.76 3kkk h ASP 146 CO -0.09 0.00 0.00 0.00 -1.72 0.00 0.00 179.24 177.43 3kkk n ALA 147 N -2.52 1.75 -2.66 3.45 0.00 -0.61 -4.78 120.51 115.14 3kkk n ALA 147 Ca -0.02 0.00 -0.38 0.00 0.00 0.00 0.00 53.44 53.04 3kkk n ALA 147 Cb 0.12 -1.33 -0.08 0.00 0.00 0.00 0.00 19.45 18.17 3kkk n ALA 147 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 3kkk s LEU 148 N -3.72 4.13 0.35 0.00 1.43 -0.06 -5.05 118.68 115.76 3kkk s LEU 148 Ca 0.07 0.51 -0.25 0.00 -1.03 0.00 0.00 54.13 53.43 3kkk s LEU 148 Cb 0.10 -2.54 -0.10 0.00 0.03 0.00 0.00 46.19 43.69 3kkk s LEU 148 CO 0.36 -0.12 0.94 -2.16 0.23 0.00 0.00 176.35 175.60 3kkk s PRO 149 N 1.51 4.49 0.25 1.29 0.04 -1.26 -4.93 135.00 136.39 3kkk s PRO 149 Ca 0.19 1.27 0.23 0.00 0.04 0.00 0.00 61.00 62.73 3kkk s PRO 149 Cb -0.15 -2.66 0.17 0.00 0.04 0.00 0.00 34.50 31.91 3kkk s PRO 149 CO 0.08 0.21 1.26 0.74 0.04 0.00 0.00 177.00 179.33 3kkk h PHE 150 N 2.88 0.00 -1.88 0.56 0.04 -1.97 -3.42 116.94 113.16 3kkk h PHE 150 Ca -0.47 0.00 0.20 0.00 2.80 0.00 0.00 57.97 60.50 3kkk h PHE 150 Cb 1.19 0.00 -0.15 0.00 2.20 0.00 0.00 35.95 39.19 3kkk h PHE 150 CO 0.62 0.00 0.65 -0.08 -0.60 0.00 0.00 178.31 178.90 3kkk s THR 151 N -3.28 0.00 -0.05 -1.55 -1.32 -1.26 -0.97 115.64 107.21 3kkk s THR 151 Ca 0.03 -0.11 -0.05 0.00 -1.21 0.00 0.00 61.69 60.35 3kkk s THR 151 Cb 0.09 -1.25 0.01 0.00 -1.51 0.00 0.00 72.50 69.84 3kkk s THR 151 CO 0.74 0.00 0.13 -1.61 -2.21 0.00 0.00 174.62 171.67 3kkk s GLU 152 N -2.79 0.19 0.46 7.08 2.02 -1.03 -4.93 118.70 119.70 3kkk s GLU 152 Ca 0.09 0.13 0.05 0.00 0.02 0.00 0.00 54.97 55.25 3kkk s GLU 152 Cb -0.00 0.09 0.02 0.00 0.10 0.00 0.00 34.13 34.33 3kkk s GLU 152 CO -0.05 -0.03 0.64 0.00 0.02 0.00 0.00 175.26 175.84 3kkk h LEU 154 N 0.46 0.41 -0.78 0.00 5.85 -1.75 -1.38 115.31 118.12 3kkk h LEU 154 Ca -0.42 0.00 0.03 0.00 0.84 0.00 0.00 57.88 58.34 3kkk h LEU 154 Cb 1.28 -0.09 -0.05 0.00 0.37 0.00 0.00 40.66 42.18 3kkk h LEU 154 CO 0.49 0.26 0.49 0.50 -0.34 0.00 0.00 178.44 179.84 3kkk h LYS 155 N 0.46 0.92 -0.19 1.25 3.64 -1.61 -0.31 116.57 120.73 3kkk h LYS 155 Ca 0.23 -0.06 -0.01 0.00 -1.27 0.00 0.00 60.65 59.55 3kkk h LYS 155 Cb 0.33 -0.21 -0.01 0.00 -0.41 0.00 0.00 32.23 31.93 3kkk h LYS 155 CO -0.06 0.61 0.09 -0.44 -2.27 0.00 0.00 179.45 177.38 3kkk h ASP 156 N 0.95 0.26 -0.84 4.20 3.32 -1.55 -1.22 116.42 121.53 3kkk h ASP 156 Ca 0.31 -0.13 0.05 0.00 0.02 0.00 0.00 57.03 57.28 3kkk h ASP 156 Cb 0.03 -0.07 -0.06 0.00 0.22 0.00 0.00 39.33 39.46 3kkk h ASP 156 CO -0.12 0.31 0.53 0.74 -1.72 0.00 0.00 179.24 178.98 3kkk h THR 157 N 0.18 1.09 -0.29 0.35 2.02 -1.19 -1.32 112.91 113.74 3kkk h THR 157 Ca 0.07 -0.34 -0.01 0.00 0.77 0.00 0.00 66.41 66.90 3kkk h THR 157 Cb 0.13 -0.00 -0.01 0.00 -1.74 0.00 0.00 68.15 66.52 3kkk h THR 157 CO -0.01 0.18 0.16 0.58 0.37 0.00 0.00 175.52 176.81 3kkk h VAL 158 N 1.00 1.12 0.00 3.16 2.07 -0.76 -2.02 116.25 120.82 3kkk h VAL 158 Ca 0.35 -0.32 -0.05 0.00 0.82 0.00 0.00 66.70 67.50 3kkk h VAL 158 Cb 0.09 0.80 -0.01 0.00 -1.52 0.00 0.00 31.29 30.65 3kkk h VAL 158 CO -0.14 0.13 -0.24 -0.33 0.02 0.00 0.00 177.57 177.01 3kkk h GLU 159 N 0.36 0.00 0.00 1.57 5.08 -0.72 -2.67 114.58 118.21 3kkk h GLU 159 Ca 0.10 0.00 -0.06 0.00 -1.00 0.00 0.00 59.36 58.40 3kkk h GLU 159 Cb 0.06 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.30 3kkk h GLU 159 CO -0.02 0.24 -0.87 0.07 -1.00 0.00 0.00 179.01 177.43 3kkk h ARG 160 N 0.00 0.00 0.04 2.33 0.11 -1.03 -3.35 114.38 112.49 3kkk h ARG 160 Ca -0.00 0.00 -0.23 0.00 0.10 0.00 0.00 59.98 59.85 3kkk h ARG 160 Cb 0.52 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 31.59 3kkk h ARG 160 CO 0.03 0.16 -1.01 0.28 0.10 0.00 0.00 179.97 179.53 3kkk h VAL 161 N 0.00 1.50 -0.66 0.08 2.07 -1.16 -3.39 116.25 114.69 3kkk h VAL 161 Ca -0.05 -2.80 -0.02 0.00 0.82 0.00 0.00 66.70 64.65 3kkk h VAL 161 Cb 1.23 2.64 -0.03 0.00 -1.52 0.00 0.00 31.29 33.61 3kkk h VAL 161 CO 0.02 0.82 0.33 0.25 0.02 0.00 0.00 177.57 179.02 3kkk h LEU 162 N 0.11 0.85 -1.14 2.57 5.85 -1.61 -2.04 115.31 119.90 3kkk h LEU 162 Ca -0.07 -0.12 0.03 0.00 0.84 0.00 0.00 57.88 58.55 3kkk h LEU 162 Cb 1.69 -0.22 -0.05 0.00 0.37 0.00 0.00 40.66 42.45 3kkk h LEU 162 CO 0.16 0.73 0.59 -0.65 -0.34 0.00 0.00 178.44 178.93 3kkk h PRO 163 N 0.91 1.11 -0.38 5.25 0.11 -1.76 -0.59 132.00 136.64 3kkk h PRO 163 Ca 0.23 -0.07 -0.07 0.00 0.11 0.00 0.00 66.00 66.21 3kkk h PRO 163 Cb 0.09 -0.25 -0.02 0.00 0.11 0.00 0.00 31.00 30.93 3kkk h PRO 163 CO -0.03 0.73 -0.04 0.35 -0.21 0.00 0.00 178.00 178.80 3kkk h PHE 164 N 1.14 0.67 0.25 0.65 3.57 -1.61 0.22 116.94 121.83 3kkk h PHE 164 Ca 0.34 -0.09 -0.01 0.00 3.53 0.00 0.00 57.97 61.74 3kkk h PHE 164 Cb -0.03 -0.18 0.00 0.00 2.79 0.00 0.00 35.95 38.53 3kkk h PHE 164 CO -0.00 0.66 -0.12 2.35 -2.23 0.00 0.00 178.31 178.97 3kkk h TRP 165 N 0.59 -0.31 -0.00 0.41 2.91 -0.76 -1.14 115.95 117.65 3kkk h TRP 165 Ca 0.12 -0.01 -0.12 0.00 1.13 0.00 0.00 58.89 60.01 3kkk h TRP 165 Cb 0.43 0.10 -0.02 0.00 -0.51 0.00 0.00 29.16 29.17 3kkk h TRP 165 CO 0.02 -0.19 -0.55 0.74 -1.03 0.00 0.00 178.44 177.43 3kkk h PHE 166 N -0.33 0.02 0.00 2.65 0.04 -0.78 -0.16 116.94 118.38 3kkk h PHE 166 Ca -0.03 -0.01 -0.30 0.00 2.80 0.00 0.00 57.97 60.44 3kkk h PHE 166 Cb 0.26 -0.00 -0.05 0.00 2.20 0.00 0.00 35.95 38.35 3kkk h PHE 166 CO -0.06 0.56 -1.74 -0.25 -0.60 0.00 0.00 178.31 176.22 3kkk n ASP 167 N -3.89 0.86 0.01 2.17 8.00 0.74 -4.50 116.55 119.94 3kkk n ASP 167 Ca -0.01 0.40 0.00 0.00 0.71 0.00 0.00 54.79 55.88 3kkk n ASP 167 Cb 0.56 -0.04 0.00 0.00 -0.02 0.00 0.00 41.12 41.62 3kkk n ASP 167 CO 0.00 0.00 0.00 1.41 -0.39 0.00 0.00 177.20 178.22 3kkk n HIS 168 N -3.04 -0.11 0.01 1.24 8.25 -0.46 -4.75 115.22 116.35 3kkk n HIS 168 Ca -0.18 0.02 -0.13 0.00 -0.26 0.00 0.00 57.72 57.18 3kkk n HIS 168 Cb 1.06 0.23 -0.10 0.00 1.12 0.00 0.00 29.99 32.30 3kkk n HIS 168 CO 0.00 0.00 0.00 0.82 0.64 0.00 0.00 176.34 177.80 3kkk h ILE 169 N 0.00 1.25 -0.44 1.59 2.04 -1.37 -3.06 117.51 117.53 3kkk h ILE 169 Ca 0.00 -1.21 -0.07 0.00 1.00 0.00 0.00 64.86 64.58 3kkk h ILE 169 Cb 0.50 2.03 -0.02 0.00 -0.74 0.00 0.00 36.82 38.60 3kkk h ILE 169 CO 0.00 0.30 -0.00 0.00 0.00 0.00 0.00 178.15 178.44 3kkk h ALA 170 N 0.23 0.59 -0.76 1.87 0.00 -1.29 -1.95 119.26 117.95 3kkk h ALA 170 Ca -0.01 -0.27 0.03 0.00 0.00 0.00 0.00 54.91 54.66 3kkk h ALA 170 Cb 0.55 -0.16 -0.04 0.00 0.00 0.00 0.00 17.79 18.13 3kkk h ALA 170 CO 0.01 0.38 0.50 -1.35 0.00 0.00 0.00 179.25 178.80 3kkk h PRO 171 N 0.61 0.92 -0.39 0.00 0.11 -1.78 -0.70 132.00 130.77 3kkk h PRO 171 Ca 0.12 -0.06 -0.01 0.00 0.11 0.00 0.00 66.00 66.17 3kkk h PRO 171 Cb 0.49 -0.21 -0.02 0.00 0.11 0.00 0.00 31.00 31.38 3kkk h PRO 171 CO 0.02 0.61 0.20 -0.44 -0.21 0.00 0.00 178.00 178.18 3kkk h ASP 172 N 0.95 0.49 -0.49 -2.05 5.19 -1.37 -0.17 116.42 118.96 3kkk h ASP 172 Ca 0.30 -0.11 -0.00 0.00 -0.62 0.00 0.00 57.03 56.60 3kkk h ASP 172 Cb 0.02 -0.13 -0.02 0.00 0.18 0.00 0.00 39.33 39.39 3kkk h ASP 172 CO -0.08 0.46 0.29 0.40 -3.12 0.00 0.00 179.24 177.18 3kkk h ILE 173 N 0.49 1.16 0.00 0.35 2.04 -0.86 -1.34 117.51 119.35 3kkk h ILE 173 Ca 0.13 -0.37 -0.03 0.00 1.00 0.00 0.00 64.86 65.60 3kkk h ILE 173 Cb 0.08 0.51 -0.00 0.00 -0.74 0.00 0.00 36.82 36.67 3kkk h ILE 173 CO -0.02 0.16 -0.14 -0.07 0.00 0.00 0.00 178.15 178.08 3kkk h LEU 174 N 0.66 0.00 -1.44 1.44 3.38 -1.00 -1.68 115.31 116.67 3kkk h LEU 174 Ca 0.18 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.15 3kkk h LEU 174 Cb 0.01 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.76 3kkk h LEU 174 CO -0.03 0.14 0.00 0.00 0.09 0.00 0.00 178.44 178.63 3kkk n ALA 175 N -2.24 2.74 -2.10 1.53 0.00 -0.09 -4.90 120.51 115.45 3kkk n ALA 175 Ca -0.01 -0.56 -0.15 0.00 0.00 0.00 0.00 53.44 52.72 3kkk n ALA 175 Cb 0.29 -1.01 -0.02 0.00 0.00 0.00 0.00 19.45 18.71 3kkk n ALA 175 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 3kkk n ASN 176 N 0.23 -4.56 -4.85 0.00 3.02 -0.63 -5.01 115.26 103.45 3kkk n ASN 176 Ca 0.09 0.07 -0.36 0.00 -0.03 0.00 0.00 54.58 54.35 3kkk n ASN 176 Cb 0.41 -3.64 -0.06 0.00 -0.61 0.00 0.00 39.78 35.89 3kkk n ASN 176 CO 0.00 0.00 0.00 -0.54 -2.62 0.00 0.00 177.26 174.10 3kkk s LYS 177 N -4.42 3.92 -0.33 3.52 1.02 -0.60 -5.03 119.74 117.82 3kkk s LYS 177 Ca 0.00 0.40 -0.20 0.00 0.02 0.00 0.00 55.97 56.19 3kkk s LYS 177 Cb 0.00 -3.03 -0.01 0.00 -0.52 0.00 0.00 37.83 34.28 3kkk s LYS 177 CO 0.00 0.55 0.61 0.15 -0.92 0.00 0.00 175.35 175.74 3kkk s LYS 178 N -1.73 3.79 -0.10 1.68 1.02 -1.26 -4.31 119.74 118.83 3kkk s LYS 178 Ca 0.33 0.15 -0.02 0.00 0.02 0.00 0.00 55.97 56.46 3kkk s LYS 178 Cb -0.15 -3.76 -0.03 0.00 -0.52 0.00 0.00 37.83 33.36 3kkk s LYS 178 CO 0.18 -0.63 -0.04 0.08 -0.92 0.00 0.00 175.35 174.02 3kkk s VAL 179 N 2.61 3.94 -0.09 3.17 1.01 -1.26 -0.58 120.40 129.19 3kkk s VAL 179 Ca 0.24 -0.37 0.01 0.00 0.00 0.00 0.00 61.98 61.86 3kkk s VAL 179 Cb -0.15 -2.66 -0.02 0.00 0.00 0.00 0.00 36.38 33.55 3kkk s VAL 179 CO 0.13 0.56 -0.12 -0.32 0.00 0.00 0.00 175.10 175.35 3kkk s MET 180 N -0.40 2.97 -0.31 2.72 1.75 -0.96 -2.14 119.30 122.94 3kkk s MET 180 Ca 0.07 -0.67 -0.06 0.00 -1.25 0.00 0.00 55.69 53.78 3kkk s MET 180 Cb -0.12 -2.54 0.02 0.00 2.84 0.00 0.00 34.83 35.03 3kkk s MET 180 CO 0.02 0.43 0.07 0.08 -0.65 0.00 0.00 175.02 174.97 3kkk s VAL 181 N -0.21 3.72 -0.36 10.11 1.01 0.20 -0.73 120.40 134.14 3kkk s VAL 181 Ca 0.01 -0.93 -0.07 0.00 0.00 0.00 0.00 61.98 61.00 3kkk s VAL 181 Cb -0.13 -3.00 0.05 0.00 0.00 0.00 0.00 36.38 33.31 3kkk s VAL 181 CO 0.03 -0.01 0.14 0.00 0.00 0.00 0.00 175.10 175.26 3kkk s ALA 182 N 1.43 3.10 0.00 5.51 0.00 -0.11 -1.11 121.76 130.57 3kkk s ALA 182 Ca 0.00 -1.90 0.00 0.00 0.00 0.00 0.00 51.96 50.06 3kkk s ALA 182 Cb -0.18 -2.36 0.00 0.00 0.00 0.00 0.00 23.12 20.58 3kkk s ALA 182 CO 0.02 -1.44 0.00 0.00 0.00 0.00 0.00 175.76 174.33 3kkk n ALA 183 N 4.81 0.00 -2.52 0.00 0.00 -0.14 -4.11 120.51 118.55 3kkk n ALA 183 Ca -0.11 0.00 -0.25 0.00 0.00 0.00 0.00 53.44 53.08 3kkk n ALA 183 Cb 0.44 0.00 -0.09 0.00 0.00 0.00 0.00 19.45 19.79 3kkk n ALA 183 CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 177.50 176.49 3kkk s HIS 184 N 0.61 2.46 0.17 0.00 3.76 -1.26 -1.59 115.29 119.43 3kkk s HIS 184 Ca 0.00 -0.29 -0.27 0.00 -0.15 0.00 0.00 55.06 54.36 3kkk s HIS 184 Cb 0.00 -1.13 0.02 0.00 1.11 0.00 0.00 32.58 32.58 3kkk s HIS 184 CO 0.00 0.61 1.56 0.78 -0.85 0.00 0.00 174.74 176.84 3kkk h GLY 185 N 2.49 -0.54 1.46 -2.22 0.00 -1.93 -0.29 103.07 102.04 3kkk h GLY 185 Ca -0.44 0.61 -0.17 0.00 0.00 0.00 0.00 47.33 47.33 3kkk h GLY 185 CO 0.57 -0.13 -0.59 3.43 0.00 0.00 0.00 176.54 179.81 3kkk h ASN 186 N -0.21 0.63 -0.12 0.19 2.35 -1.97 -1.12 115.58 115.33 3kkk h ASN 186 Ca 0.18 -0.35 -0.14 0.00 -0.55 0.00 0.00 56.30 55.43 3kkk h ASN 186 Cb 0.55 -0.18 -0.01 0.00 0.05 0.00 0.00 38.32 38.73 3kkk h ASN 186 CO -0.73 1.08 -0.40 0.77 -1.65 0.00 0.00 177.43 176.50 3kkk h SER 187 N 0.42 0.69 -0.34 5.81 4.64 -1.74 -1.87 113.55 121.17 3kkk h SER 187 Ca -0.00 -0.31 -0.12 0.00 -0.47 0.00 0.00 61.79 60.88 3kkk h SER 187 Cb 1.15 -0.19 -0.01 0.00 -0.31 0.00 0.00 62.40 63.03 3kkk h SER 187 CO 0.11 1.01 -0.25 -0.07 -0.87 0.00 0.00 176.83 176.77 3kkk h LEU 188 N 0.54 0.86 -1.28 5.97 3.38 -0.98 -2.61 115.31 121.19 3kkk h LEU 188 Ca 0.05 -0.33 0.03 0.00 0.09 0.00 0.00 57.88 57.72 3kkk h LEU 188 Cb 0.92 -0.24 -0.04 0.00 0.09 0.00 0.00 40.66 41.39 3kkk h LEU 188 CO 0.08 1.06 0.50 0.03 0.09 0.00 0.00 178.44 180.21 3kkk h ARG 189 N 0.72 0.91 -0.49 1.13 3.08 -1.06 -0.31 114.38 118.37 3kkk h ARG 189 Ca 0.09 -0.06 0.06 0.00 0.07 0.00 0.00 59.98 60.15 3kkk h ARG 189 Cb 0.78 -0.21 -0.05 0.00 0.08 0.00 0.00 29.97 30.57 3kkk h ARG 189 CO 0.06 0.61 0.20 0.78 -1.07 0.00 0.00 179.97 180.55 3kkk h GLY 190 N 0.94 0.67 0.78 0.04 0.00 -0.98 0.16 103.07 104.69 3kkk h GLY 190 Ca 0.30 -0.13 -0.02 0.00 0.00 0.00 0.00 47.33 47.49 3kkk h GLY 190 CO -0.09 0.05 0.01 1.41 0.00 0.00 0.00 176.54 177.92 3kkk h LEU 191 N 0.40 0.21 -1.17 3.11 3.38 -1.10 -3.08 115.31 117.07 3kkk h LEU 191 Ca 0.23 -0.29 0.00 0.00 0.09 0.00 0.00 57.88 57.91 3kkk h LEU 191 Cb 0.21 -0.06 -0.04 0.00 0.09 0.00 0.00 40.66 40.86 3kkk h LEU 191 CO -0.21 0.44 0.50 0.58 0.09 0.00 0.00 178.44 179.84 3kkk h VAL 192 N -0.03 1.21 -0.75 1.22 2.07 -0.86 0.10 116.25 119.21 3kkk h VAL 192 Ca 0.04 -0.43 0.06 0.00 0.82 0.00 0.00 66.70 67.18 3kkk h VAL 192 Cb 0.33 0.08 -0.06 0.00 -1.52 0.00 0.00 31.29 30.12 3kkk h VAL 192 CO 0.00 0.22 0.44 0.50 0.02 0.00 0.00 177.57 178.75 3kkk h LYS 193 N 1.08 0.79 -0.13 1.57 3.64 -0.64 -0.42 116.57 122.46 3kkk h LYS 193 Ca 0.29 -0.05 -0.10 0.00 -1.27 0.00 0.00 60.65 59.52 3kkk h LYS 193 Cb -0.08 -0.18 0.00 0.00 -0.41 0.00 0.00 32.23 31.56 3kkk h LYS 193 CO -0.06 0.52 -0.30 1.25 -2.27 0.00 0.00 179.45 178.59 3kkk h HIS 194 N 0.81 0.55 0.24 1.91 2.76 -1.30 -0.62 115.15 119.50 3kkk h HIS 194 Ca 0.33 -0.21 -0.01 0.00 -2.20 0.00 0.00 60.37 58.29 3kkk h HIS 194 Cb 0.18 -0.10 -0.00 0.00 1.55 0.00 0.00 27.41 29.03 3kkk h HIS 194 CO -0.06 0.92 -0.15 -0.07 -1.30 0.00 0.00 177.93 177.28 3kkk h LEU 195 N 0.02 -0.37 -1.61 0.26 3.38 -0.59 -2.93 115.31 113.47 3kkk h LEU 195 Ca -0.00 0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.99 3kkk h LEU 195 Cb 0.91 0.11 0.00 0.00 0.09 0.00 0.00 40.66 41.77 3kkk h LEU 195 CO 0.07 -0.24 0.00 0.47 0.09 0.00 0.00 178.44 178.83 3kkk n ASP 196 N -5.27 2.36 -3.88 -0.43 8.00 -0.20 -4.43 116.55 112.70 3kkk n ASP 196 Ca -0.09 -1.96 -0.27 0.00 0.71 0.00 0.00 54.79 53.19 3kkk n ASP 196 Cb 0.18 -0.27 -0.00 0.00 -0.02 0.00 0.00 41.12 41.01 3kkk n ASP 196 CO 0.00 0.00 0.00 -3.20 -0.39 0.00 0.00 177.20 173.61 3kkk n ASN 197 N 0.78 -1.40 -4.80 -2.24 5.15 -0.82 -4.91 115.26 107.03 3kkk n ASN 197 Ca 0.15 -1.00 -0.35 0.00 -0.60 0.00 0.00 54.58 52.79 3kkk n ASN 197 Cb 0.38 -3.17 -0.06 0.00 -0.53 0.00 0.00 39.78 36.41 3kkk n ASN 197 CO 0.00 0.00 0.00 -0.76 1.40 0.00 0.00 177.26 177.90 3kkk s LEU 198 N -6.86 4.06 0.85 1.20 1.43 -0.30 -5.04 118.68 114.02 3kkk s LEU 198 Ca 0.10 1.84 -0.12 0.00 -1.03 0.00 0.00 54.13 54.93 3kkk s LEU 198 Cb -0.04 -4.35 0.10 0.00 0.03 0.00 0.00 46.19 41.94 3kkk s LEU 198 CO 0.88 -0.40 1.10 -0.94 0.23 0.00 0.00 176.35 177.22 3kkk s SER 199 N -1.88 3.97 0.27 2.29 1.04 -1.26 -4.88 113.70 113.25 3kkk s SER 199 Ca 0.59 1.27 -0.01 0.00 0.48 0.00 0.00 55.95 58.29 3kkk s SER 199 Cb -0.15 -1.96 0.46 0.00 0.10 0.00 0.00 66.02 64.47 3kkk s SER 199 CO 0.20 -2.30 1.87 -0.33 0.98 0.00 0.00 173.24 173.66 3kkk h GLU 200 N -1.32 1.08 -0.34 4.02 5.08 -2.00 -2.27 114.58 118.83 3kkk h GLU 200 Ca -0.49 -0.07 -0.03 0.00 -1.00 0.00 0.00 59.36 57.78 3kkk h GLU 200 Cb 1.29 -0.24 -0.01 0.00 0.50 0.00 0.00 28.75 30.28 3kkk h GLU 200 CO 0.59 0.72 0.10 0.00 -1.00 0.00 0.00 179.01 179.41 3kkk h ALA 201 N 1.48 0.45 -0.36 3.43 0.00 -2.00 -2.56 119.26 119.71 3kkk h ALA 201 Ca 0.45 -0.17 -0.01 0.00 0.00 0.00 0.00 54.91 55.18 3kkk h ALA 201 Cb 0.26 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 17.90 3kkk h ALA 201 CO -0.20 0.10 0.20 -0.44 0.00 0.00 0.00 179.25 178.92 3kkk h ASP 202 N 0.40 0.45 0.31 0.00 3.32 -1.85 -2.91 116.42 116.15 3kkk h ASP 202 Ca 0.11 -0.08 -0.10 0.00 0.02 0.00 0.00 57.03 56.98 3kkk h ASP 202 Cb 0.27 -0.11 -0.01 0.00 0.22 0.00 0.00 39.33 39.70 3kkk h ASP 202 CO -0.00 0.40 -0.42 1.62 -1.72 0.00 0.00 179.24 179.11 3kkk h VAL 203 N 0.46 1.31 -0.30 -1.35 3.04 -1.41 -1.03 116.25 116.97 3kkk h VAL 203 Ca 0.13 -1.52 -0.07 0.00 -1.01 0.00 0.00 66.70 64.22 3kkk h VAL 203 Cb 0.05 1.73 -0.02 0.00 -2.01 0.00 0.00 31.29 31.05 3kkk h VAL 203 CO -0.02 0.45 -0.12 -0.07 -1.01 0.00 0.00 177.57 176.80 3kkk h LEU 204 N 0.13 0.49 0.00 3.16 3.38 -1.36 -2.85 115.31 118.26 3kkk h LEU 204 Ca 0.01 -0.12 0.00 0.00 0.09 0.00 0.00 57.88 57.86 3kkk h LEU 204 Cb 0.81 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 41.43 3kkk h LEU 204 CO 0.06 0.64 -0.49 -0.08 0.09 0.00 0.00 178.44 178.67 3kkk h GLU 205 N 0.47 0.00 -6.70 1.13 4.57 -1.28 -3.46 114.58 109.31 3kkk h GLU 205 Ca 0.09 0.00 -0.52 0.00 -1.18 0.00 0.00 59.36 57.74 3kkk h GLU 205 Cb 0.49 0.00 0.06 0.00 -0.16 0.00 0.00 28.75 29.14 3kkk h GLU 205 CO 0.03 0.00 0.94 -1.17 -1.18 0.00 0.00 179.01 177.62 3kkk s LEU 206 N -5.66 4.36 -0.20 1.64 2.96 -0.42 -5.00 118.68 116.37 3kkk s LEU 206 Ca 0.04 2.83 -0.03 0.00 -0.22 0.00 0.00 54.13 56.75 3kkk s LEU 206 Cb 0.08 -3.61 0.06 0.00 0.50 0.00 0.00 46.19 43.22 3kkk s LEU 206 CO 0.72 -0.91 0.05 0.21 -1.32 0.00 0.00 176.35 175.10 3kkk s ASN 207 N 0.92 2.92 -0.29 3.68 2.47 -1.26 -4.99 114.94 118.39 3kkk s ASN 207 Ca 0.70 -0.85 -0.18 0.00 0.42 0.00 0.00 52.86 52.94 3kkk s ASN 207 Cb -0.48 -0.57 -0.02 0.00 -1.45 0.00 0.00 41.25 38.74 3kkk s ASN 207 CO 0.37 -0.32 0.52 -0.63 -3.72 0.00 0.00 177.10 173.32 3kkk s ILE 208 N 1.88 5.05 0.73 -5.21 1.01 -1.26 -5.05 121.20 118.34 3kkk s ILE 208 Ca -0.00 0.72 -0.14 0.00 0.00 0.00 0.00 60.65 61.24 3kkk s ILE 208 Cb -0.17 -3.87 0.04 0.00 0.01 0.00 0.00 42.46 38.46 3kkk s ILE 208 CO -0.09 -0.01 1.15 -2.16 0.00 0.00 0.00 174.94 173.82 3kkk s PRO 209 N 2.36 2.28 0.20 2.79 0.04 -1.26 -4.96 135.00 136.44 3kkk s PRO 209 Ca 0.21 1.52 -0.25 0.00 0.04 0.00 0.00 61.00 62.51 3kkk s PRO 209 Cb -0.15 -1.87 -0.08 0.00 0.04 0.00 0.00 34.50 32.43 3kkk s PRO 209 CO 0.11 -1.68 0.81 0.95 0.04 0.00 0.00 177.00 177.22 3kkk s THR 210 N -2.31 4.34 -1.45 1.26 -4.23 -1.26 -4.18 115.64 107.82 3kkk s THR 210 Ca 0.69 1.70 0.00 0.00 -1.18 0.00 0.00 61.69 62.90 3kkk s THR 210 Cb -0.24 -4.11 0.00 0.00 1.34 0.00 0.00 72.50 69.50 3kkk s THR 210 CO 0.47 0.43 0.00 0.61 -0.54 0.00 0.00 174.62 175.59 3kkk n GLY 211 N 1.34 0.79 3.01 3.99 0.00 0.27 -4.91 105.19 109.67 3kkk n GLY 211 Ca -0.04 -0.30 -0.31 0.00 0.00 0.00 0.00 46.02 45.38 3kkk n GLY 211 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3kkk s VAL 212 N -2.63 1.66 0.17 1.61 1.01 -1.26 -4.48 120.40 116.48 3kkk s VAL 212 Ca 0.00 -0.92 -0.32 0.00 0.00 0.00 0.00 61.98 60.74 3kkk s VAL 212 Cb 0.00 -1.67 -0.11 0.00 0.00 0.00 0.00 36.38 34.60 3kkk s VAL 212 CO 0.00 0.26 1.63 -2.84 0.00 0.00 0.00 175.10 174.15 3kkk s PRO 213 N 1.41 4.18 -0.38 2.72 0.02 -1.26 -4.62 135.00 137.06 3kkk s PRO 213 Ca 0.00 2.45 -0.10 0.00 0.02 0.00 0.00 61.00 63.38 3kkk s PRO 213 Cb -0.15 -3.16 0.04 0.00 0.02 0.00 0.00 34.50 31.25 3kkk s PRO 213 CO -0.09 -0.67 0.21 -1.17 -0.33 0.00 0.00 177.00 174.95 3kkk s LEU 214 N 1.28 4.79 -0.13 -5.54 2.96 0.14 -2.01 118.68 120.17 3kkk s LEU 214 Ca 0.72 -1.17 -0.15 0.00 -0.22 0.00 0.00 54.13 53.31 3kkk s LEU 214 Cb -0.46 -1.99 -0.05 0.00 0.50 0.00 0.00 46.19 44.20 3kkk s LEU 214 CO 0.32 -0.42 0.36 -0.69 -1.32 0.00 0.00 176.35 174.60 3kkk s VAL 215 N 1.49 5.24 -0.11 1.68 1.01 0.29 -0.40 120.40 129.60 3kkk s VAL 215 Ca 0.02 0.71 0.02 0.00 0.00 0.00 0.00 61.98 62.72 3kkk s VAL 215 Cb -0.20 -3.70 -0.01 0.00 0.00 0.00 0.00 36.38 32.47 3kkk s VAL 215 CO 0.05 0.40 -0.17 -0.31 0.00 0.00 0.00 175.10 175.06 3kkk s TYR 216 N 0.29 2.70 -0.22 5.22 2.02 0.10 -1.12 117.35 126.34 3kkk s TYR 216 Ca 0.20 -0.72 -0.07 0.00 -0.37 0.00 0.00 57.07 56.12 3kkk s TYR 216 Cb -0.14 -1.77 -0.03 0.00 -0.40 0.00 0.00 41.96 39.62 3kkk s TYR 216 CO 0.07 -0.23 0.07 -1.21 -1.57 0.00 0.00 175.55 172.68 3kkk s GLU 217 N 0.20 3.80 0.08 -0.62 2.02 0.33 -1.11 118.70 123.40 3kkk s GLU 217 Ca -0.10 -0.42 0.09 0.00 0.02 0.00 0.00 54.97 54.56 3kkk s GLU 217 Cb -0.16 -3.28 -0.03 0.00 0.10 0.00 0.00 34.13 30.76 3kkk s GLU 217 CO 0.06 0.02 -0.24 -0.51 0.02 0.00 0.00 175.26 174.61 3kkk s LEU 218 N 1.05 2.24 0.00 1.80 1.43 -0.59 0.74 118.68 125.35 3kkk s LEU 218 Ca 0.04 -0.64 -0.06 0.00 -1.03 0.00 0.00 54.13 52.45 3kkk s LEU 218 Cb -0.14 -1.10 0.11 0.00 0.03 0.00 0.00 46.19 45.09 3kkk s LEU 218 CO 0.03 0.17 0.66 -0.90 0.23 0.00 0.00 176.35 176.54 3kkk n ASP 219 N 1.42 0.30 0.22 2.29 5.68 0.20 -0.39 116.55 126.27 3kkk n ASP 219 Ca -0.18 -1.39 0.15 0.00 -0.50 0.00 0.00 54.79 52.87 3kkk n ASP 219 Cb 0.53 -0.48 0.80 0.00 -1.14 0.00 0.00 41.12 40.83 3kkk n ASP 219 CO 0.00 0.00 0.00 1.05 -1.33 0.00 0.00 177.20 176.92 3kkk h GLU 220 N 0.00 0.00 -0.62 0.11 9.09 -1.88 0.11 114.58 121.39 3kkk h GLU 220 Ca -0.21 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.20 3kkk h GLU 220 Cb 0.65 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.75 3kkk h GLU 220 CO 0.17 0.00 0.00 0.09 0.05 0.00 0.00 179.01 179.32 3kkk n ASN 221 N -4.04 5.29 -0.94 3.06 5.03 -1.26 -4.93 115.26 117.47 3kkk n ASN 221 Ca 0.00 -2.82 -0.12 0.00 0.87 0.00 0.00 54.58 52.51 3kkk n ASN 221 Cb 0.23 -0.66 -0.05 0.00 -1.02 0.00 0.00 39.78 38.27 3kkk n ASN 221 CO 0.00 0.00 0.00 0.18 -1.83 0.00 0.00 177.26 175.61 3kkk n LEU 222 N 0.61 -0.59 -4.71 3.41 4.77 0.38 -4.99 117.00 115.89 3kkk n LEU 222 Ca 0.25 0.30 -0.42 0.00 -0.03 0.00 0.00 56.01 56.12 3kkk n LEU 222 Cb 1.10 -2.50 -0.03 0.00 -2.33 0.00 0.00 43.42 39.66 3kkk n LEU 222 CO 0.29 -0.95 0.65 -0.75 -1.33 0.00 0.00 177.39 175.31 3kkk s LYS 223 N -2.96 4.56 0.22 3.23 2.20 -1.26 -4.71 119.74 121.02 3kkk s LYS 223 Ca 0.00 1.37 -0.31 0.00 -0.36 0.00 0.00 55.97 56.68 3kkk s LYS 223 Cb 0.00 -3.45 -0.10 0.00 -1.51 0.00 0.00 37.83 32.77 3kkk s LYS 223 CO 0.00 -0.01 1.50 -2.14 -0.36 0.00 0.00 175.35 174.34 3kkk s PRO 224 N 0.89 4.24 -0.10 4.03 0.02 -1.26 -0.63 135.00 142.18 3kkk s PRO 224 Ca 0.50 2.34 -0.19 0.00 0.02 0.00 0.00 61.00 63.67 3kkk s PRO 224 Cb -0.21 -3.12 -0.27 0.00 0.02 0.00 0.00 34.50 30.92 3kkk s PRO 224 CO 0.27 -0.51 0.63 0.82 -0.33 0.00 0.00 177.00 177.89 3kkk h ILE 225 N 3.72 1.23 -2.51 2.83 2.04 -0.00 -3.46 117.51 121.36 3kkk h ILE 225 Ca -0.45 -2.41 0.15 0.00 1.00 0.00 0.00 64.86 63.15 3kkk h ILE 225 Cb 1.21 2.86 -0.08 0.00 -0.74 0.00 0.00 36.82 40.08 3kkk h ILE 225 CO 0.83 0.66 0.42 -1.59 0.00 0.00 0.00 178.15 178.47 3kkk s LYS 226 N -2.42 1.32 0.00 2.37 -2.85 -1.11 -5.03 119.74 112.02 3kkk s LYS 226 Ca -0.19 -0.72 -0.07 0.00 -1.00 0.00 0.00 55.97 53.99 3kkk s LYS 226 Cb 0.03 0.46 0.00 0.00 -2.06 0.00 0.00 37.83 36.26 3kkk s LYS 226 CO 0.76 -0.61 0.14 -3.38 0.10 0.00 0.00 175.35 172.36 3kkk s HIS 227 N -3.44 0.04 0.08 1.78 -3.43 -1.26 -0.51 115.29 108.56 3kkk s HIS 227 Ca 0.11 -0.14 -0.17 0.00 -0.80 0.00 0.00 55.06 54.06 3kkk s HIS 227 Cb -0.02 -0.05 0.04 0.00 -1.43 0.00 0.00 32.58 31.11 3kkk s HIS 227 CO 0.03 -0.29 0.42 1.52 -2.00 0.00 0.00 174.74 174.42 3kkk s TYR 228 N -1.39 -0.25 0.18 0.38 1.13 -0.27 -4.99 117.35 112.13 3kkk s TYR 228 Ca -0.15 0.09 -0.12 0.00 -1.41 0.00 0.00 57.07 55.48 3kkk s TYR 228 Cb -0.08 0.25 -0.07 0.00 -1.10 0.00 0.00 41.96 40.96 3kkk s TYR 228 CO 0.02 -0.64 0.54 0.71 -2.51 0.00 0.00 175.55 173.67 3kkk s TYR 229 N -3.10 3.53 -1.23 -3.49 2.02 -1.26 -0.55 117.35 113.27 3kkk s TYR 229 Ca -0.01 0.98 -0.11 0.00 -0.37 0.00 0.00 57.07 57.55 3kkk s TYR 229 Cb 0.00 -2.32 0.18 0.00 -0.40 0.00 0.00 41.96 39.43 3kkk s TYR 229 CO -0.07 0.37 1.60 1.28 -1.57 0.00 0.00 175.55 177.15 3kkk n LEU 230 N 0.43 5.87 0.00 -1.29 4.77 -0.85 -4.96 117.00 120.97 3kkk n LEU 230 Ca -0.03 -4.61 0.00 0.00 -0.03 0.00 0.00 56.01 51.34 3kkk n LEU 230 Cb 0.52 -1.54 0.00 0.00 -2.33 0.00 0.00 43.42 40.07 3kkk n LEU 230 CO 0.43 1.08 0.00 -0.11 -1.33 0.00 0.00 177.39 177.46