#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kpr s THR 3 N 0.00 1.25 -0.10 3.15 -4.23 -1.26 -4.68 115.64 109.76 3kpr s THR 3 Ca 0.00 -1.40 0.03 0.00 -1.18 0.00 0.00 61.69 59.14 3kpr s THR 3 Cb 0.00 -1.22 0.01 0.00 1.34 0.00 0.00 72.50 72.63 3kpr s THR 3 CO 0.00 -0.22 -0.20 0.42 -0.54 0.00 0.00 174.62 174.08 3kpr s THR 4 N -1.37 1.79 0.09 3.99 -4.23 -0.08 -4.92 115.64 110.91 3kpr s THR 4 Ca 0.01 -0.84 0.01 0.00 -1.18 0.00 0.00 61.69 59.69 3kpr s THR 4 Cb -0.09 -1.58 -0.04 0.00 1.34 0.00 0.00 72.50 72.13 3kpr s THR 4 CO 0.03 0.50 -0.06 0.00 -0.54 0.00 0.00 174.62 174.54 3kpr s GLN 5 N 0.61 0.79 0.75 3.99 -2.07 -1.26 -0.28 119.66 122.19 3kpr s GLN 5 Ca -0.13 -1.28 -0.15 0.00 -1.82 0.00 0.00 55.36 51.98 3kpr s GLN 5 Cb -0.17 -0.17 0.05 0.00 -1.09 0.00 0.00 33.01 31.64 3kpr s GLN 5 CO 0.04 -0.02 1.23 -1.25 -1.32 0.00 0.00 175.29 173.97 3kpr s PRO 7 N -3.67 1.96 0.06 9.60 0.04 -1.26 -4.85 135.00 136.87 3kpr s PRO 7 Ca 0.10 1.85 -0.23 0.00 0.04 0.00 0.00 61.00 62.76 3kpr s PRO 7 Cb 0.04 -1.80 -0.15 0.00 0.04 0.00 0.00 34.50 32.63 3kpr s PRO 7 CO -0.05 -1.99 1.58 -0.97 0.04 0.00 0.00 177.00 175.60 3kpr h ASN 8 N -0.40 0.07 -5.54 6.66 -0.00 -1.97 -3.33 115.58 111.07 3kpr h ASN 8 Ca -0.48 -0.18 -0.22 0.00 -0.00 0.00 0.00 56.30 55.42 3kpr h ASN 8 Cb 1.31 -0.02 -0.15 0.00 -0.00 0.00 0.00 38.32 39.46 3kpr h ASN 8 CO 0.49 0.24 -0.58 -0.94 -0.00 0.00 0.00 177.43 176.63 3kpr s SER 9 N -5.45 0.14 -0.26 1.15 1.04 -1.26 -1.02 113.70 108.05 3kpr s SER 9 Ca -0.14 -1.33 -0.21 0.00 0.48 0.00 0.00 55.95 54.75 3kpr s SER 9 Cb 0.05 0.39 0.07 0.00 0.10 0.00 0.00 66.02 66.63 3kpr s SER 9 CO 0.68 -0.85 0.67 -0.32 0.98 0.00 0.00 173.24 174.39 3kpr s MET 10 N -4.14 0.76 0.04 4.02 1.75 -0.12 -4.83 119.30 116.78 3kpr s MET 10 Ca 0.36 1.00 0.03 0.00 -1.25 0.00 0.00 55.69 55.83 3kpr s MET 10 Cb 0.06 0.32 -0.04 0.00 2.84 0.00 0.00 34.83 38.01 3kpr s MET 10 CO 0.11 -0.11 0.01 -1.21 -0.65 0.00 0.00 175.02 173.16 3kpr s GLU 11 N 0.69 2.71 0.16 4.11 0.41 -1.26 -1.87 118.70 123.65 3kpr s GLU 11 Ca -0.03 -0.69 -0.20 0.00 -0.41 0.00 0.00 54.97 53.64 3kpr s GLU 11 Cb -0.05 -2.63 0.05 0.00 -1.78 0.00 0.00 34.13 29.72 3kpr s GLU 11 CO -0.04 0.59 0.53 -1.54 -0.49 0.00 0.00 175.26 174.31 3kpr s SER 12 N -1.88 -0.39 0.19 -0.19 1.04 -0.78 -4.96 113.70 106.73 3kpr s SER 12 Ca 0.22 -0.23 0.04 0.00 0.48 0.00 0.00 55.95 56.47 3kpr s SER 12 Cb -0.12 0.56 -0.03 0.00 0.10 0.00 0.00 66.02 66.53 3kpr s SER 12 CO 0.14 -0.97 0.30 0.20 0.98 0.00 0.00 173.24 173.89 3kpr s ASN 13 N -2.80 6.22 0.65 7.02 0.02 -1.26 -0.06 114.94 124.73 3kpr s ASN 13 Ca 0.04 0.08 -0.17 0.00 -1.02 0.00 0.00 52.86 51.79 3kpr s ASN 13 Cb -0.00 -1.82 -0.00 0.00 0.02 0.00 0.00 41.25 39.44 3kpr s ASN 13 CO -0.10 -0.00 1.22 -1.83 0.02 0.00 0.00 177.10 176.41 3kpr s GLU 14 N -3.57 2.61 0.00 -0.60 -1.05 0.50 -2.79 118.70 113.81 3kpr s GLU 14 Ca 0.34 1.82 0.00 0.00 -0.15 0.00 0.00 54.97 56.98 3kpr s GLU 14 Cb -0.10 -1.88 0.00 0.00 -0.44 0.00 0.00 34.13 31.71 3kpr s GLU 14 CO 0.28 -1.49 0.00 0.39 0.95 0.00 0.00 175.26 175.39 3kpr n GLU 15 N -2.07 0.00 -3.94 -4.83 -0.58 0.25 -4.82 120.64 104.66 3kpr n GLU 15 Ca 0.14 0.00 -0.29 0.00 -0.42 0.00 0.00 57.16 56.59 3kpr n GLU 15 Cb 0.50 -3.44 -0.04 0.00 -0.57 0.00 0.00 31.44 27.89 3kpr n GLU 15 CO 0.00 0.00 0.00 -1.21 -0.48 0.00 0.00 177.13 175.44 3kpr s GLU 16 N -0.46 3.42 0.43 3.49 0.41 -1.12 -4.63 118.70 120.26 3kpr s GLU 16 Ca 0.00 -0.52 -0.22 0.00 -0.41 0.00 0.00 54.97 53.81 3kpr s GLU 16 Cb 0.00 -2.99 -0.09 0.00 -1.78 0.00 0.00 34.13 29.26 3kpr s GLU 16 CO 0.00 0.57 1.03 -1.25 -0.49 0.00 0.00 175.26 175.11 3kpr s PRO 17 N -2.85 4.04 -0.11 0.39 0.04 -1.21 -1.79 135.00 133.51 3kpr s PRO 17 Ca 0.35 1.39 0.02 0.00 0.04 0.00 0.00 61.00 62.80 3kpr s PRO 17 Cb -0.12 -2.33 0.01 0.00 0.04 0.00 0.00 34.50 32.10 3kpr s PRO 17 CO 0.28 -0.23 -0.17 0.08 0.04 0.00 0.00 177.00 177.00 3kpr s VAL 18 N -1.85 1.65 -0.49 -0.36 1.01 0.27 -4.97 120.40 115.65 3kpr s VAL 18 Ca 0.62 -0.74 -0.11 0.00 0.00 0.00 0.00 61.98 61.75 3kpr s VAL 18 Cb -0.18 -1.48 0.12 0.00 0.00 0.00 0.00 36.38 34.84 3kpr s VAL 18 CO 0.22 0.47 0.39 -1.00 0.00 0.00 0.00 175.10 175.18 3kpr s HIS 19 N 0.88 3.36 -0.54 5.22 3.76 -1.26 -1.34 115.29 125.37 3kpr s HIS 19 Ca -0.08 -1.66 -0.18 0.00 -0.15 0.00 0.00 55.06 53.00 3kpr s HIS 19 Cb -0.15 -3.55 0.09 0.00 1.11 0.00 0.00 32.58 30.08 3kpr s HIS 19 CO -0.00 -0.99 0.59 -0.51 -0.85 0.00 0.00 174.74 172.98 3kpr s LEU 20 N 1.44 5.48 0.53 0.89 1.43 0.07 -4.97 118.68 123.55 3kpr s LEU 20 Ca 0.05 -1.36 -0.14 0.00 -1.03 0.00 0.00 54.13 51.65 3kpr s LEU 20 Cb -0.27 -2.30 -0.06 0.00 0.03 0.00 0.00 46.19 43.58 3kpr s LEU 20 CO 0.01 -0.93 0.96 -2.16 0.23 0.00 0.00 176.35 174.46 3kpr s PRO 21 N 2.29 3.81 -0.06 1.29 0.04 -1.26 -1.32 135.00 139.78 3kpr s PRO 21 Ca 0.09 0.80 -0.07 0.00 0.04 0.00 0.00 61.00 61.87 3kpr s PRO 21 Cb -0.24 -2.16 0.02 0.00 0.04 0.00 0.00 34.50 32.15 3kpr s PRO 21 CO 0.07 -0.33 0.19 0.00 0.04 0.00 0.00 177.00 176.97 3kpr s ASN 23 N -0.14 3.87 -0.49 0.00 -0.87 0.62 -1.53 114.94 116.40 3kpr s ASN 23 Ca -0.02 -0.45 0.05 0.00 -1.57 0.00 0.00 52.86 50.87 3kpr s ASN 23 Cb -0.02 -1.62 0.18 0.00 -0.02 0.00 0.00 41.25 39.76 3kpr s ASN 23 CO 0.01 0.05 0.41 0.00 -2.57 0.00 0.00 177.10 174.99 3kpr n HIS 24 N 4.33 0.28 -0.18 2.20 1.44 -0.56 -0.90 115.22 121.83 3kpr n HIS 24 Ca -0.19 -3.60 -0.07 0.00 -2.01 0.00 0.00 57.72 51.85 3kpr n HIS 24 Cb 0.51 -0.02 0.08 0.00 0.12 0.00 0.00 29.99 30.68 3kpr n HIS 24 CO 0.00 0.00 0.00 1.03 -2.81 0.00 0.00 176.34 174.56 3kpr h SER 25 N 5.40 0.94 -2.32 4.39 0.87 -1.82 -3.34 113.55 117.66 3kpr h SER 25 Ca 0.22 -0.24 -0.77 0.00 -1.23 0.00 0.00 61.79 59.77 3kpr h SER 25 Cb 0.86 -0.25 -0.30 0.00 -0.44 0.00 0.00 62.40 62.27 3kpr h SER 25 CO 0.48 0.98 0.72 0.35 -0.53 0.00 0.00 176.83 178.83 3kpr n THR 26 N -4.20 5.50 -4.16 2.23 -2.24 -1.26 -4.88 114.28 105.27 3kpr n THR 26 Ca 0.03 -5.91 -0.35 0.00 -2.27 0.00 0.00 64.05 55.55 3kpr n THR 26 Cb 0.32 -1.59 -0.09 0.00 -2.10 0.00 0.00 70.33 66.86 3kpr n THR 26 CO 0.00 0.00 0.00 -0.51 -0.57 0.00 0.00 175.07 173.99 3kpr s ILE 27 N -4.16 4.64 0.61 2.28 2.07 -1.25 -4.88 121.20 120.51 3kpr s ILE 27 Ca 0.40 -0.10 -0.14 0.00 -1.41 0.00 0.00 60.65 59.40 3kpr s ILE 27 Cb 0.19 -3.03 -0.03 0.00 0.13 0.00 0.00 42.46 39.72 3kpr s ILE 27 CO -0.10 0.54 1.04 -0.44 -1.91 0.00 0.00 174.94 174.07 3kpr s SER 28 N -0.29 5.90 0.54 4.50 0.01 -1.26 -4.96 113.70 118.14 3kpr s SER 28 Ca 0.08 1.65 0.24 0.00 1.31 0.00 0.00 55.95 59.23 3kpr s SER 28 Cb -0.12 -2.51 1.49 0.00 0.21 0.00 0.00 66.02 65.09 3kpr s SER 28 CO 0.02 -1.09 2.15 1.23 0.41 0.00 0.00 173.24 175.95 3kpr h GLY 29 N 0.09 0.00 -2.21 3.44 0.00 -1.99 -2.51 103.07 99.90 3kpr h GLY 29 Ca -0.46 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.87 3kpr h GLY 29 CO 0.59 0.00 0.00 -1.30 0.00 0.00 0.00 176.54 175.83 3kpr n THR 30 N -3.99 1.10 -2.66 4.70 -2.24 -1.26 -4.96 114.28 104.96 3kpr n THR 30 Ca -0.03 -1.04 -0.39 0.00 -2.27 0.00 0.00 64.05 60.33 3kpr n THR 30 Cb 0.15 0.45 -0.05 0.00 -2.10 0.00 0.00 70.33 68.78 3kpr n THR 30 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 3kpr s ASP 30 N -1.01 7.38 0.05 3.42 1.01 -0.95 -5.03 116.67 121.54 3kpr s ASP 30 Ca 0.40 2.02 -0.02 0.00 0.71 0.00 0.00 52.55 55.66 3kpr s ASP 30 Cb 0.22 -2.61 -0.04 0.00 1.01 0.00 0.00 42.92 41.50 3kpr s ASP 30 CO 0.26 -0.04 0.24 -0.31 0.21 0.00 0.00 175.17 175.53 3kpr s TYR 31 N -1.32 3.52 -0.16 4.23 1.51 -1.26 -4.79 117.35 119.08 3kpr s TYR 31 Ca 0.46 0.36 -0.13 0.00 -1.01 0.00 0.00 57.07 56.75 3kpr s TYR 31 Cb -0.26 -1.84 -0.05 0.00 -0.11 0.00 0.00 41.96 39.71 3kpr s TYR 31 CO 0.32 0.58 0.27 0.42 -1.11 0.00 0.00 175.55 176.03 3kpr s ILE 32 N -1.47 5.32 0.09 2.71 -1.09 -0.06 -4.22 121.20 122.47 3kpr s ILE 32 Ca 0.34 0.49 0.08 0.00 -2.23 0.00 0.00 60.65 59.33 3kpr s ILE 32 Cb -0.13 -3.60 -0.03 0.00 -1.58 0.00 0.00 42.46 37.12 3kpr s ILE 32 CO 0.24 0.42 -0.22 -1.00 -1.23 0.00 0.00 174.94 173.15 3kpr s HIS 33 N 0.30 1.90 -0.09 3.97 3.76 0.39 -1.56 115.29 123.96 3kpr s HIS 33 Ca 0.16 -0.40 0.01 0.00 -0.15 0.00 0.00 55.06 54.67 3kpr s HIS 33 Cb -0.13 -1.07 0.02 0.00 1.11 0.00 0.00 32.58 32.51 3kpr s HIS 33 CO 0.03 0.20 -0.10 -1.58 -0.85 0.00 0.00 174.74 172.44 3kpr s TRP 34 N -1.04 1.53 0.18 1.40 0.52 -0.44 -0.48 118.94 120.61 3kpr s TRP 34 Ca 0.08 -0.68 0.11 0.00 0.02 0.00 0.00 56.10 55.63 3kpr s TRP 34 Cb -0.10 -1.19 -0.04 0.00 -1.15 0.00 0.00 33.47 30.99 3kpr s TRP 34 CO 0.04 -0.41 -0.24 0.71 0.02 0.00 0.00 176.95 177.06 3kpr s TYR 35 N 1.19 2.30 0.13 -1.98 1.51 -0.82 -0.86 117.35 118.83 3kpr s TYR 35 Ca -0.04 -0.36 0.05 0.00 -1.01 0.00 0.00 57.07 55.70 3kpr s TYR 35 Cb -0.14 -1.16 -0.04 0.00 -0.11 0.00 0.00 41.96 40.51 3kpr s TYR 35 CO -0.03 0.48 -0.11 -0.98 -1.11 0.00 0.00 175.55 173.80 3kpr s ARG 36 N -2.59 1.02 -0.20 -0.62 1.70 -0.23 0.11 118.95 118.14 3kpr s ARG 36 Ca 0.20 -1.36 -0.03 0.00 -0.47 0.00 0.00 55.73 54.07 3kpr s ARG 36 Cb -0.08 -0.68 0.06 0.00 -0.57 0.00 0.00 34.95 33.68 3kpr s ARG 36 CO 0.09 0.10 0.04 -1.14 -1.08 0.00 0.00 175.30 173.31 3kpr s GLN 37 N -3.35 0.69 0.60 3.89 0.74 0.11 -0.26 119.66 122.08 3kpr s GLN 37 Ca 0.13 -0.47 -0.16 0.00 0.05 0.00 0.00 55.36 54.91 3kpr s GLN 37 Cb -0.00 -2.12 -0.03 0.00 1.10 0.00 0.00 33.01 31.96 3kpr s GLN 37 CO 0.01 -0.66 1.09 -0.51 -0.55 0.00 0.00 175.29 174.67 3kpr s LEU 38 N 1.83 3.52 0.18 3.68 1.02 -1.26 -1.55 118.68 126.11 3kpr s LEU 38 Ca -0.01 1.95 -0.33 0.00 0.02 0.00 0.00 54.13 55.76 3kpr s LEU 38 Cb -0.17 -4.55 -0.14 0.00 0.02 0.00 0.00 46.19 41.35 3kpr s LEU 38 CO -0.09 -1.33 1.45 -2.65 0.02 0.00 0.00 176.35 173.76 3kpr n PRO 39 N -1.98 1.91 -1.99 1.29 -0.02 -1.26 -1.79 135.00 131.15 3kpr n PRO 39 Ca 0.10 0.69 -0.20 0.00 -2.02 0.00 0.00 63.50 62.06 3kpr n PRO 39 Cb 0.52 -2.37 -0.05 0.00 -0.02 0.00 0.00 33.50 31.58 3kpr n PRO 39 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 3kpr n SER 40 N 2.71 -5.60 -4.30 2.55 2.88 -1.26 -4.98 113.62 105.63 3kpr n SER 40 Ca 0.15 0.26 -0.17 0.00 -1.33 0.00 0.00 58.87 57.77 3kpr n SER 40 Cb 0.28 -4.81 -0.10 0.00 -0.75 0.00 0.00 64.21 58.83 3kpr n SER 40 CO 0.00 0.00 0.00 -1.10 -1.23 0.00 0.00 175.04 172.71 3kpr s GLN 41 N -4.37 1.18 0.51 -1.46 -0.21 -0.74 -5.15 119.66 109.43 3kpr s GLN 41 Ca 0.00 -1.47 -0.20 0.00 0.02 0.00 0.00 55.36 53.71 3kpr s GLN 41 Cb 0.00 -0.93 -0.07 0.00 1.00 0.00 0.00 33.01 33.00 3kpr s GLN 41 CO 0.00 0.15 1.07 0.20 -2.12 0.00 0.00 175.29 174.59 3kpr s GLY 42 N -3.08 2.51 0.84 3.09 0.00 -1.26 -4.56 107.32 104.86 3kpr s GLY 42 Ca 0.18 0.65 -0.11 0.00 0.00 0.00 0.00 44.72 45.43 3kpr s GLY 42 CO 0.04 0.98 1.15 -4.14 0.00 0.00 0.00 173.10 171.13 3kpr s PRO 43 N -3.33 1.52 -0.01 2.90 0.02 -1.26 -4.67 135.00 130.16 3kpr s PRO 43 Ca 0.68 1.54 -0.02 0.00 0.02 0.00 0.00 61.00 63.23 3kpr s PRO 43 Cb -0.18 -1.78 0.00 0.00 0.02 0.00 0.00 34.50 32.55 3kpr s PRO 43 CO 0.24 -2.26 0.04 -1.83 -0.33 0.00 0.00 177.00 172.85 3kpr s GLU 44 N -4.51 0.10 0.41 5.54 -1.05 0.64 -4.97 118.70 114.85 3kpr s GLU 44 Ca 0.68 -0.03 -0.27 0.00 -0.15 0.00 0.00 54.97 55.19 3kpr s GLU 44 Cb -0.23 0.04 -0.10 0.00 -0.44 0.00 0.00 34.13 33.40 3kpr s GLU 44 CO 0.54 -0.01 1.44 -0.47 0.95 0.00 0.00 175.26 177.70 3kpr s TYR 45 N -0.20 2.57 -0.04 4.83 5.04 -1.26 -1.07 117.35 127.22 3kpr s TYR 45 Ca -0.02 1.24 -0.07 0.00 -2.44 0.00 0.00 57.07 55.78 3kpr s TYR 45 Cb -0.02 -3.93 -0.03 0.00 0.35 0.00 0.00 41.96 38.33 3kpr s TYR 45 CO -0.00 -2.84 -0.14 0.28 -1.34 0.00 0.00 175.55 171.51 3kpr n VAL 46 N 0.16 1.10 -3.52 3.14 0.31 -0.04 -4.85 118.33 114.62 3kpr n VAL 46 Ca 0.03 0.15 -0.09 0.00 -0.01 0.00 0.00 64.34 64.43 3kpr n VAL 46 Cb 0.41 -1.81 -0.03 0.00 -0.91 0.00 0.00 33.84 31.50 3kpr n VAL 46 CO 0.00 0.00 0.00 -0.51 -1.32 0.00 0.00 176.83 175.00 3kpr s ILE 47 N -2.31 0.00 0.06 2.52 2.07 -1.18 -5.04 121.20 117.33 3kpr s ILE 47 Ca -0.13 0.00 -0.12 0.00 -1.41 0.00 0.00 60.65 58.99 3kpr s ILE 47 Cb 0.03 -1.00 0.01 0.00 0.13 0.00 0.00 42.46 41.63 3kpr s ILE 47 CO 0.18 0.00 0.27 -1.38 -1.91 0.00 0.00 174.94 172.10 3kpr s HIS 48 N -2.73 -0.03 0.35 3.50 -3.43 -1.26 -1.32 115.29 110.36 3kpr s HIS 48 Ca 0.04 -0.19 -0.17 0.00 -0.80 0.00 0.00 55.06 53.94 3kpr s HIS 48 Cb -0.01 0.06 0.06 0.00 -1.43 0.00 0.00 32.58 31.25 3kpr s HIS 48 CO -0.07 -0.51 0.82 0.20 -2.00 0.00 0.00 174.74 173.18 3kpr s GLY 49 N -2.28 0.29 0.00 -1.38 0.00 -0.60 -4.93 107.32 98.41 3kpr s GLY 49 Ca -0.02 -0.65 0.00 0.00 0.00 0.00 0.00 44.72 44.05 3kpr s GLY 49 CO -0.06 0.06 0.00 -0.10 0.00 0.00 0.00 173.10 173.00 3kpr n LEU 50 N -0.55 0.00 -0.01 0.66 0.00 -1.26 -0.88 117.00 114.96 3kpr n LEU 50 Ca -0.07 0.00 -0.01 0.00 0.00 0.00 0.00 56.01 55.92 3kpr n LEU 50 Cb 0.60 0.00 -0.00 0.00 0.00 0.00 0.00 43.42 44.01 3kpr n LEU 50 CO 0.25 -0.45 -0.10 0.35 0.00 0.00 0.00 177.39 177.44 3kpr n THR 51 N -2.34 0.37 -1.78 1.96 -2.24 -1.26 -4.82 114.28 104.17 3kpr n THR 51 Ca 0.00 0.27 -0.32 0.00 -2.27 0.00 0.00 64.05 61.72 3kpr n THR 51 Cb 0.00 -1.47 0.04 0.00 -2.10 0.00 0.00 70.33 66.80 3kpr n THR 51 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 3kpr s SER 52 N -4.87 5.34 0.27 3.42 1.04 -1.26 -4.76 113.70 112.89 3kpr s SER 52 Ca -0.04 1.84 -0.29 0.00 0.48 0.00 0.00 55.95 57.94 3kpr s SER 52 Cb 0.01 -2.53 -0.09 0.00 0.10 0.00 0.00 66.02 63.50 3kpr s SER 52 CO 0.06 -1.47 1.15 0.20 0.98 0.00 0.00 173.24 174.16 3kpr s ASN 54 N -2.96 7.17 -0.14 7.02 -0.87 -1.26 -4.92 114.94 118.98 3kpr s ASN 54 Ca 0.63 2.32 -0.04 0.00 -1.57 0.00 0.00 52.86 54.21 3kpr s ASN 54 Cb -0.17 -2.63 -0.03 0.00 -0.02 0.00 0.00 41.25 38.40 3kpr s ASN 54 CO 0.44 -0.24 -0.02 -0.69 -2.57 0.00 0.00 177.10 174.02 3kpr s VAL 55 N -0.97 4.10 -0.06 1.60 1.01 -0.85 -4.96 120.40 120.27 3kpr s VAL 55 Ca 0.46 -0.30 0.02 0.00 0.00 0.00 0.00 61.98 62.17 3kpr s VAL 55 Cb -0.33 -2.78 0.02 0.00 0.00 0.00 0.00 36.38 33.28 3kpr s VAL 55 CO 0.42 0.52 -0.09 0.20 0.00 0.00 0.00 175.10 176.15 3kpr s ASN 56 N 0.04 1.43 0.46 3.32 -0.87 -1.26 0.12 114.94 118.18 3kpr s ASN 56 Ca 0.01 -0.23 0.03 0.00 -1.57 0.00 0.00 52.86 51.10 3kpr s ASN 56 Cb -0.13 -0.67 -0.02 0.00 -0.02 0.00 0.00 41.25 40.41 3kpr s ASN 56 CO 0.02 0.00 0.06 0.20 -2.57 0.00 0.00 177.10 174.81 3kpr s ASN 57 N 0.74 3.50 0.40 -1.22 0.01 0.48 -5.00 114.94 113.85 3kpr s ASN 57 Ca -0.13 -1.63 0.20 0.00 -0.71 0.00 0.00 52.86 50.59 3kpr s ASN 57 Cb -0.15 0.43 0.78 0.00 0.41 0.00 0.00 41.25 42.72 3kpr s ASN 57 CO 0.02 -0.85 1.78 0.08 -1.51 0.00 0.00 177.10 176.62 3kpr h ARG 58 N 1.59 0.00 0.05 -0.60 -0.00 -2.01 -3.32 114.38 110.08 3kpr h ARG 58 Ca -0.40 0.00 -0.36 0.00 -0.00 0.00 0.00 59.98 59.22 3kpr h ARG 58 Cb 1.29 0.00 -0.04 0.00 -0.00 0.00 0.00 29.97 31.22 3kpr h ARG 58 CO 0.67 0.32 -2.02 0.00 -0.00 0.00 0.00 179.97 178.95 3kpr n MET 61 N -3.53 0.66 -3.98 0.08 0.00 -1.26 -4.74 117.12 104.35 3kpr n MET 61 Ca -0.00 0.31 -0.09 0.00 0.00 0.00 0.00 57.70 57.92 3kpr n MET 61 Cb 0.47 -1.64 -0.11 0.00 0.00 0.00 0.00 33.22 31.94 3kpr n MET 61 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 3kpr s ALA 62 N -2.49 0.12 0.06 3.17 0.00 -1.25 -0.69 121.76 120.69 3kpr s ALA 62 Ca -0.30 -0.60 0.06 0.00 0.00 0.00 0.00 51.96 51.13 3kpr s ALA 62 Cb 0.08 0.15 -0.03 0.00 0.00 0.00 0.00 23.12 23.33 3kpr s ALA 62 CO 0.64 -0.17 -0.17 -1.12 0.00 0.00 0.00 175.76 174.95 3kpr s SER 63 N -1.49 1.99 -0.33 0.00 0.01 -0.27 -0.38 113.70 113.23 3kpr s SER 63 Ca -0.16 -0.57 -0.05 0.00 1.31 0.00 0.00 55.95 56.48 3kpr s SER 63 Cb -0.10 -0.11 0.04 0.00 0.21 0.00 0.00 66.02 66.06 3kpr s SER 63 CO -0.01 0.02 0.08 -0.22 0.41 0.00 0.00 173.24 173.52 3kpr s LEU 64 N -1.51 4.20 -0.20 2.44 2.96 0.12 -1.03 118.68 125.66 3kpr s LEU 64 Ca 0.02 -1.14 -0.08 0.00 -0.22 0.00 0.00 54.13 52.71 3kpr s LEU 64 Cb -0.09 -1.84 -0.04 0.00 0.50 0.00 0.00 46.19 44.72 3kpr s LEU 64 CO 0.02 -0.30 0.07 0.00 -1.32 0.00 0.00 176.35 174.82 3kpr s ALA 65 N 1.38 3.40 -0.08 5.97 0.00 -0.65 -2.00 121.76 129.78 3kpr s ALA 65 Ca -0.02 -0.81 0.04 0.00 0.00 0.00 0.00 51.96 51.18 3kpr s ALA 65 Cb -0.19 -1.99 -0.01 0.00 0.00 0.00 0.00 23.12 20.93 3kpr s ALA 65 CO 0.02 0.06 -0.22 0.42 0.00 0.00 0.00 175.76 176.04 3kpr s ILE 66 N 0.60 2.33 0.96 0.00 1.01 -1.26 -0.74 121.20 124.10 3kpr s ILE 66 Ca 0.04 -0.96 -0.11 0.00 0.00 0.00 0.00 60.65 59.63 3kpr s ILE 66 Cb -0.13 -1.88 0.17 0.00 0.01 0.00 0.00 42.46 40.63 3kpr s ILE 66 CO 0.01 0.56 1.12 0.00 0.00 0.00 0.00 174.94 176.64 3kpr s ALA 67 N -0.05 1.07 0.13 9.38 0.00 -0.61 -4.88 121.76 126.80 3kpr s ALA 67 Ca -0.06 0.45 -0.18 0.00 0.00 0.00 0.00 51.96 52.16 3kpr s ALA 67 Cb -0.15 -3.41 -0.03 0.00 0.00 0.00 0.00 23.12 19.53 3kpr s ALA 67 CO 0.05 -2.99 1.78 1.49 0.00 0.00 0.00 175.76 176.09 3kpr h GLU 68 N -2.03 0.32 0.00 0.00 4.57 -1.98 -1.22 114.58 114.24 3kpr h GLU 68 Ca -0.47 -0.02 0.00 0.00 -1.18 0.00 0.00 59.36 57.69 3kpr h GLU 68 Cb 1.28 -0.07 0.00 0.00 -0.16 0.00 0.00 28.75 29.80 3kpr h GLU 68 CO 0.43 0.21 0.00 -0.40 -1.18 0.00 0.00 179.01 178.07 3kpr n ASP 69 N -4.93 0.00 -0.92 1.04 5.68 -1.26 -4.89 116.55 111.26 3kpr n ASP 69 Ca -0.02 -0.15 -0.12 0.00 -0.50 0.00 0.00 54.79 54.00 3kpr n ASP 69 Cb 0.04 -0.25 -0.05 0.00 -1.14 0.00 0.00 41.12 39.72 3kpr n ASP 69 CO 0.00 0.00 0.00 0.54 -1.33 0.00 0.00 177.20 176.41 3kpr n ARG 70 N -1.25 -1.62 0.00 0.11 1.74 -0.46 -4.83 116.66 110.34 3kpr n ARG 70 Ca 0.13 0.92 0.14 0.00 -0.77 0.00 0.00 57.85 58.26 3kpr n ARG 70 Cb 0.18 -5.32 0.58 0.00 -1.02 0.00 0.00 32.46 26.89 3kpr n ARG 70 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 3kpr n LYS 71 N -1.08 0.69 -3.69 5.56 5.02 -1.26 -4.83 118.16 118.57 3kpr n LYS 71 Ca -0.12 -0.26 -0.14 0.00 -2.02 0.00 0.00 58.31 55.77 3kpr n LYS 71 Cb 0.59 -1.49 -0.07 0.00 -0.02 0.00 0.00 35.03 34.03 3kpr n LYS 71 CO 0.00 0.00 0.00 -1.54 -0.52 0.00 0.00 177.40 175.34 3kpr s SER 72 N -2.49 -0.30 0.23 4.39 1.04 -1.26 -1.50 113.70 113.82 3kpr s SER 72 Ca 0.28 0.14 0.00 0.00 0.48 0.00 0.00 55.95 56.86 3kpr s SER 72 Cb 0.20 0.39 -0.04 0.00 0.10 0.00 0.00 66.02 66.67 3kpr s SER 72 CO 0.48 -0.56 0.19 -0.94 0.98 0.00 0.00 173.24 173.39 3kpr s SER 73 N -1.59 0.50 -0.05 7.02 1.04 -0.58 -1.58 113.70 118.46 3kpr s SER 73 Ca -0.10 -1.46 -0.02 0.00 0.48 0.00 0.00 55.95 54.86 3kpr s SER 73 Cb -0.03 0.43 0.04 0.00 0.10 0.00 0.00 66.02 66.57 3kpr s SER 73 CO 0.02 -0.91 0.11 -0.89 0.98 0.00 0.00 173.24 172.55 3kpr s THR 74 N -3.97 -0.08 -0.24 2.02 2.01 0.08 -0.50 115.64 114.96 3kpr s THR 74 Ca 0.39 0.23 -0.23 0.00 0.31 0.00 0.00 61.69 62.39 3kpr s THR 74 Cb 0.05 -0.19 -0.01 0.00 0.01 0.00 0.00 72.50 72.36 3kpr s THR 74 CO 0.16 0.09 0.74 -0.22 -0.69 0.00 0.00 174.62 174.70 3kpr s LEU 75 N 1.34 4.09 -0.34 4.42 2.96 -0.44 -1.64 118.68 129.07 3kpr s LEU 75 Ca -0.07 0.90 -0.03 0.00 -0.22 0.00 0.00 54.13 54.71 3kpr s LEU 75 Cb -0.12 -3.04 0.06 0.00 0.50 0.00 0.00 46.19 43.59 3kpr s LEU 75 CO -0.05 -0.43 0.08 -0.63 -1.32 0.00 0.00 176.35 174.01 3kpr s ILE 76 N 2.58 3.30 -0.12 6.68 1.01 -0.20 -0.75 121.20 133.70 3kpr s ILE 76 Ca 0.31 -1.49 -0.30 0.00 0.00 0.00 0.00 60.65 59.18 3kpr s ILE 76 Cb -0.15 -2.98 -0.01 0.00 0.01 0.00 0.00 42.46 39.32 3kpr s ILE 76 CO 0.08 -0.28 1.09 -0.76 0.00 0.00 0.00 174.94 175.08 3kpr s LEU 77 N 1.27 4.22 0.06 2.97 1.43 -0.45 -1.11 118.68 127.07 3kpr s LEU 77 Ca -0.01 1.60 -0.17 0.00 -1.03 0.00 0.00 54.13 54.52 3kpr s LEU 77 Cb -0.21 -3.55 -0.16 0.00 0.03 0.00 0.00 46.19 42.31 3kpr s LEU 77 CO -0.01 -0.56 1.28 0.45 0.23 0.00 0.00 176.35 177.75 3kpr h HIS 78 N 7.37 0.72 -2.43 0.29 3.86 -1.19 0.78 115.15 124.54 3kpr h HIS 78 Ca -0.29 -0.28 -0.54 0.00 -1.16 0.00 0.00 60.37 58.10 3kpr h HIS 78 Cb 1.13 -0.12 -0.37 0.00 1.06 0.00 0.00 27.41 29.11 3kpr h HIS 78 CO 0.73 1.04 -0.82 0.50 0.86 0.00 0.00 177.93 180.24 3kpr s ARG 79 N -3.88 0.58 0.23 2.45 3.52 -1.26 -3.34 118.95 117.25 3kpr s ARG 79 Ca -0.13 -1.27 -0.30 0.00 -0.13 0.00 0.00 55.73 53.90 3kpr s ARG 79 Cb 0.06 -1.18 -0.09 0.00 -1.56 0.00 0.00 34.95 32.19 3kpr s ARG 79 CO 0.82 -1.22 1.16 0.00 -0.81 0.00 0.00 175.30 175.25 3kpr s ALA 80 N 1.09 3.42 0.47 6.12 0.00 -0.74 -4.78 121.76 127.34 3kpr s ALA 80 Ca 0.19 0.93 0.04 0.00 0.00 0.00 0.00 51.96 53.12 3kpr s ALA 80 Cb -0.20 -3.38 -0.04 0.00 0.00 0.00 0.00 23.12 19.50 3kpr s ALA 80 CO -0.01 -0.29 0.03 0.95 0.00 0.00 0.00 175.76 176.44 3kpr s THR 81 N -0.54 1.56 0.44 0.00 -4.23 -1.26 0.86 115.64 112.48 3kpr s THR 81 Ca 0.49 -1.97 0.14 0.00 -1.18 0.00 0.00 61.69 59.18 3kpr s THR 81 Cb -0.32 -2.53 0.33 0.00 1.34 0.00 0.00 72.50 71.32 3kpr s THR 81 CO 0.39 0.00 1.98 -0.07 -0.54 0.00 0.00 174.62 176.38 3kpr h LEU 82 N 1.49 0.35 0.00 4.79 3.38 -1.94 -0.64 115.31 122.74 3kpr h LEU 82 Ca -0.44 0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.54 3kpr h LEU 82 Cb 1.28 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 41.97 3kpr h LEU 82 CO 0.76 0.21 0.00 0.54 0.09 0.00 0.00 178.44 180.04 3kpr n ARG 83 N -4.47 0.52 0.00 1.13 1.74 -1.26 -2.49 116.66 111.83 3kpr n ARG 83 Ca 0.10 0.04 0.12 0.00 -0.77 0.00 0.00 57.85 57.33 3kpr n ARG 83 Cb 0.38 -1.50 0.21 0.00 -1.02 0.00 0.00 32.46 30.53 3kpr n ARG 83 CO 0.00 0.00 0.00 -0.25 -1.52 0.00 0.00 177.63 175.86 3kpr n ASP 84 N -1.12 0.97 -4.63 0.55 10.43 -0.25 -4.87 116.55 117.63 3kpr n ASP 84 Ca 0.14 -0.76 -0.43 0.00 2.57 0.00 0.00 54.79 56.31 3kpr n ASP 84 Cb 0.11 0.34 -0.03 0.00 1.84 0.00 0.00 41.12 43.39 3kpr n ASP 84 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13 3kpr s ALA 85 N -2.74 3.17 0.08 2.24 0.00 -1.04 -4.88 121.76 118.58 3kpr s ALA 85 Ca 0.17 1.03 -0.27 0.00 0.00 0.00 0.00 51.96 52.88 3kpr s ALA 85 Cb 0.18 -3.95 0.09 0.00 0.00 0.00 0.00 23.12 19.44 3kpr s ALA 85 CO 0.64 -2.16 1.08 0.00 0.00 0.00 0.00 175.76 175.32 3kpr s ALA 86 N 6.28 -1.89 -0.19 0.00 0.00 -0.85 -4.46 121.76 120.65 3kpr s ALA 86 Ca 0.93 0.41 -0.19 0.00 0.00 0.00 0.00 51.96 53.10 3kpr s ALA 86 Cb -0.37 0.51 -0.03 0.00 0.00 0.00 0.00 23.12 23.23 3kpr s ALA 86 CO 0.38 -1.02 0.56 0.08 0.00 0.00 0.00 175.76 175.76 3kpr s VAL 87 N -2.94 5.08 -0.26 0.00 1.01 -0.59 -0.17 120.40 122.53 3kpr s VAL 87 Ca 0.13 1.05 -0.09 0.00 0.00 0.00 0.00 61.98 63.07 3kpr s VAL 87 Cb 0.01 -3.88 -0.04 0.00 0.00 0.00 0.00 36.38 32.47 3kpr s VAL 87 CO -0.01 0.16 0.11 -0.31 0.00 0.00 0.00 175.10 175.06 3kpr s TYR 88 N 1.68 3.14 -0.18 5.22 2.02 0.84 -0.72 117.35 129.35 3kpr s TYR 88 Ca 0.26 -0.22 -0.08 0.00 -0.37 0.00 0.00 57.07 56.67 3kpr s TYR 88 Cb -0.16 -2.28 -0.04 0.00 -0.40 0.00 0.00 41.96 39.08 3kpr s TYR 88 CO 0.10 -0.27 0.07 0.71 -1.57 0.00 0.00 175.55 174.59 3kpr s TYR 89 N 1.62 3.29 -0.27 2.71 1.51 0.12 -1.01 117.35 125.31 3kpr s TYR 89 Ca 0.06 0.13 -0.09 0.00 -1.01 0.00 0.00 57.07 56.17 3kpr s TYR 89 Cb -0.15 -2.08 -0.03 0.00 -0.11 0.00 0.00 41.96 39.58 3kpr s TYR 89 CO 0.06 0.20 0.12 0.00 -1.11 0.00 0.00 175.55 174.83 3kpr s ILE 91 N 1.66 1.42 -0.60 0.00 1.01 0.36 -4.50 121.20 120.56 3kpr s ILE 91 Ca 0.06 -0.97 -0.03 0.00 0.00 0.00 0.00 60.65 59.71 3kpr s ILE 91 Cb -0.16 -1.23 0.15 0.00 0.01 0.00 0.00 42.46 41.24 3kpr s ILE 91 CO 0.06 0.23 0.41 -0.76 0.00 0.00 0.00 174.94 174.89 3kpr s LEU 92 N -0.87 5.28 0.38 2.97 1.02 -1.26 -0.46 118.68 125.73 3kpr s LEU 92 Ca 0.06 -2.72 0.16 0.00 0.02 0.00 0.00 54.13 51.64 3kpr s LEU 92 Cb -0.08 -1.86 0.77 0.00 0.02 0.00 0.00 46.19 45.04 3kpr s LEU 92 CO 0.01 -0.40 1.81 -0.65 0.02 0.00 0.00 176.35 177.14 3kpr h PRO 93 N 7.21 0.00 0.00 1.29 0.11 -1.88 -2.04 132.00 136.69 3kpr h PRO 93 Ca -0.03 0.00 -0.23 0.00 0.11 0.00 0.00 66.00 65.85 3kpr h PRO 93 Cb 0.97 0.00 -0.04 0.00 0.11 0.00 0.00 31.00 32.04 3kpr h PRO 93 CO 0.72 0.37 -1.21 -0.07 -0.21 0.00 0.00 178.00 177.60 3kpr h LEU 94 N 0.00 0.00 -3.22 2.35 3.38 -1.87 -3.34 115.31 112.61 3kpr h LEU 94 Ca -0.00 0.00 -0.30 0.00 0.09 0.00 0.00 57.88 57.66 3kpr h LEU 94 Cb 0.72 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.47 3kpr h LEU 94 CO 0.05 0.95 -0.72 0.00 0.09 0.00 0.00 178.44 178.81 3kpr n ALA 95 N -2.41 -2.68 0.00 1.53 0.00 -0.77 -1.45 120.51 114.74 3kpr n ALA 95 Ca -0.06 -0.09 0.00 0.00 0.00 0.00 0.00 53.44 53.30 3kpr n ALA 95 Cb 0.96 -1.18 0.00 0.00 0.00 0.00 0.00 19.45 19.23 3kpr n ALA 95 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3kpr n GLY 96 N -1.55 2.60 0.00 0.00 0.00 -1.26 -3.84 105.19 101.14 3kpr n GLY 96 Ca -0.18 -0.01 0.00 0.00 0.00 0.00 0.00 46.02 45.83 3kpr n GLY 96 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3kpr n GLY 97 N 0.00 0.98 0.00 -0.02 0.00 -1.03 -4.90 105.19 100.22 3kpr n GLY 97 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 3kpr n GLY 97 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3kpr n THR 98 N 0.00 0.00 -3.98 2.61 -2.24 -1.03 -5.10 114.28 104.54 3kpr n THR 98 Ca 0.00 0.00 -0.28 0.00 -2.27 0.00 0.00 64.05 61.50 3kpr n THR 98 Cb 0.00 0.12 -0.04 0.00 -2.10 0.00 0.00 70.33 68.31 3kpr n THR 98 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 3kpr s SER 99 N -0.62 6.03 0.00 3.42 0.15 -0.52 -5.05 113.70 117.11 3kpr s SER 99 Ca 0.00 0.10 0.08 0.00 0.70 0.00 0.00 55.95 56.84 3kpr s SER 99 Cb 0.00 -1.75 0.06 0.00 -1.71 0.00 0.00 66.02 62.61 3kpr s SER 99 CO 0.00 0.11 0.73 0.00 1.20 0.00 0.00 173.24 175.28 3kpr n TYR 100 N -0.12 0.00 0.00 3.44 0.18 -1.26 -4.37 117.16 115.04 3kpr n TYR 100 Ca -0.07 0.00 0.00 0.00 1.88 0.00 0.00 57.90 59.71 3kpr n TYR 100 Cb 0.53 0.00 0.00 0.00 -0.38 0.00 0.00 39.34 39.49 3kpr n TYR 100 CO 0.00 0.00 0.00 0.41 -2.08 0.00 0.00 176.86 175.19 3kpr n GLY 102 N 0.53 1.72 2.41 -7.48 0.00 -1.25 -5.02 105.19 96.09 3kpr n GLY 102 Ca 0.05 -0.08 -0.44 0.00 0.00 0.00 0.00 46.02 45.55 3kpr n GLY 102 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 3kpr n LYS 103 N 0.00 0.00 -3.29 1.61 4.81 -1.26 -4.90 118.16 115.13 3kpr n LYS 103 Ca 0.00 0.00 -0.38 0.00 -0.87 0.00 0.00 58.31 57.06 3kpr n LYS 103 Cb 0.00 -0.99 -0.06 0.00 0.02 0.00 0.00 35.03 34.01 3kpr n LYS 103 CO 0.00 0.00 0.00 -0.51 1.17 0.00 0.00 177.40 178.06 3kpr s LEU 104 N 2.30 4.31 -0.76 3.14 1.43 -1.26 -4.82 118.68 123.01 3kpr s LEU 104 Ca 0.71 0.90 -0.09 0.00 -1.03 0.00 0.00 54.13 54.62 3kpr s LEU 104 Cb -0.99 -2.75 0.20 0.00 0.03 0.00 0.00 46.19 42.68 3kpr s LEU 104 CO 0.52 0.03 0.65 -0.89 0.23 0.00 0.00 176.35 176.89 3kpr s THR 105 N 0.40 4.80 0.23 5.49 2.01 -1.26 -5.06 115.64 122.25 3kpr s THR 105 Ca 0.27 -2.79 -0.30 0.00 0.31 0.00 0.00 61.69 59.19 3kpr s THR 105 Cb -0.16 -4.01 -0.09 0.00 0.01 0.00 0.00 72.50 68.24 3kpr s THR 105 CO 0.12 -0.98 1.36 -0.36 -0.69 0.00 0.00 174.62 174.07 3kpr s PHE 106 N -0.07 3.15 0.00 4.92 0.40 -1.26 -4.65 117.98 120.47 3kpr s PHE 106 Ca 0.19 1.17 0.00 0.00 -0.60 0.00 0.00 56.93 57.69 3kpr s PHE 106 Cb -0.14 -3.69 0.00 0.00 0.51 0.00 0.00 43.02 39.70 3kpr s PHE 106 CO -0.07 -2.17 0.00 0.41 0.70 0.00 0.00 175.22 174.09 3kpr n GLY 107 N 2.13 0.82 0.09 4.36 0.00 -1.26 -4.96 105.19 106.37 3kpr n GLY 107 Ca 0.06 -1.44 -0.12 0.00 0.00 0.00 0.00 46.02 44.51 3kpr n GLY 107 CO 0.00 0.00 0.00 -1.61 0.00 0.00 0.00 173.32 171.71 3kpr h GLN 108 N 0.00 0.14 -0.11 1.61 5.75 -1.96 -3.51 115.11 117.04 3kpr h GLN 108 Ca 0.00 -0.24 0.01 0.00 -0.15 0.00 0.00 58.65 58.27 3kpr h GLN 108 Cb 0.00 0.09 -0.00 0.00 1.07 0.00 0.00 27.48 28.64 3kpr h GLN 108 CO 0.00 1.04 -0.02 0.41 -2.65 0.00 0.00 178.83 177.61 3kpr n GLY 109 N 1.50 -1.47 3.43 2.39 0.00 -1.26 -4.89 105.19 104.89 3kpr n GLY 109 Ca -0.08 -1.52 -0.34 0.00 0.00 0.00 0.00 46.02 44.08 3kpr n GLY 109 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3kpr s THR 110 N -1.30 3.75 -0.37 2.61 2.01 -0.18 -4.54 115.64 117.62 3kpr s THR 110 Ca 0.00 -0.39 -0.29 0.00 0.31 0.00 0.00 61.69 61.32 3kpr s THR 110 Cb 0.00 -2.67 0.02 0.00 0.01 0.00 0.00 72.50 69.86 3kpr s THR 110 CO 0.00 0.45 1.11 -0.63 -0.69 0.00 0.00 174.62 174.86 3kpr s ILE 111 N 0.84 4.39 -0.25 1.82 1.01 -0.19 -0.11 121.20 128.71 3kpr s ILE 111 Ca -0.01 1.55 -0.09 0.00 0.00 0.00 0.00 60.65 62.10 3kpr s ILE 111 Cb -0.14 -4.46 -0.04 0.00 0.01 0.00 0.00 42.46 37.82 3kpr s ILE 111 CO 0.02 -0.65 0.13 -0.22 0.00 0.00 0.00 174.94 174.22 3kpr s LEU 112 N 3.96 3.88 -0.16 2.97 2.96 0.76 -0.95 118.68 132.11 3kpr s LEU 112 Ca 0.47 -0.01 -0.02 0.00 -0.22 0.00 0.00 54.13 54.35 3kpr s LEU 112 Cb -0.11 -2.05 -0.02 0.00 0.50 0.00 0.00 46.19 44.52 3kpr s LEU 112 CO 0.21 0.02 -0.08 -0.89 -1.32 0.00 0.00 176.35 174.29 3kpr s THR 113 N 1.32 3.45 -0.26 3.68 2.01 -0.78 -2.00 115.64 123.05 3kpr s THR 113 Ca 0.06 -0.51 -0.05 0.00 0.31 0.00 0.00 61.69 61.50 3kpr s THR 113 Cb -0.15 -2.50 0.00 0.00 0.01 0.00 0.00 72.50 69.87 3kpr s THR 113 CO 0.06 0.49 0.03 -0.69 -0.69 0.00 0.00 174.62 173.82 3kpr s VAL 114 N 0.55 3.66 0.04 3.82 1.01 -1.26 -1.87 120.40 126.35 3kpr s VAL 114 Ca -0.05 -0.66 -0.13 0.00 0.00 0.00 0.00 61.98 61.14 3kpr s VAL 114 Cb -0.15 -2.82 -0.06 0.00 0.00 0.00 0.00 36.38 33.35 3kpr s VAL 114 CO 0.03 0.20 0.41 -1.00 0.00 0.00 0.00 175.10 174.75 3kpr s HIS 115 N 1.47 3.66 0.46 5.22 3.76 0.92 -4.82 115.29 125.96 3kpr s HIS 115 Ca 0.03 0.91 -0.22 0.00 -0.15 0.00 0.00 55.06 55.64 3kpr s HIS 115 Cb -0.16 -2.24 -0.08 0.00 1.11 0.00 0.00 32.58 31.21 3kpr s HIS 115 CO -0.00 0.58 1.06 -1.25 -0.85 0.00 0.00 174.74 174.28 3kpr s PRO 116 N -1.47 3.87 -0.77 8.40 0.04 -1.26 -0.37 135.00 143.44 3kpr s PRO 116 Ca 0.28 1.46 -0.26 0.00 0.04 0.00 0.00 61.00 62.52 3kpr s PRO 116 Cb -0.15 -2.25 0.03 0.00 0.04 0.00 0.00 34.50 32.17 3kpr s PRO 116 CO 0.15 -0.39 1.32 -0.80 0.04 0.00 0.00 177.00 177.32 3kpr s ASN 117 N -1.78 6.18 -0.80 6.66 0.01 -1.26 -4.56 114.94 119.38 3kpr s ASN 117 Ca 0.65 -0.56 -0.22 0.00 -0.71 0.00 0.00 52.86 52.01 3kpr s ASN 117 Cb -0.20 -2.56 0.08 0.00 0.41 0.00 0.00 41.25 38.98 3kpr s ASN 117 CO 0.24 -1.81 1.13 -0.63 -1.51 0.00 0.00 177.10 174.51 3kpr s ILE 118 N 5.73 4.31 0.15 0.60 -1.09 -1.26 -4.88 121.20 124.75 3kpr s ILE 118 Ca 0.37 -0.69 -0.10 0.00 -2.23 0.00 0.00 60.65 58.01 3kpr s ILE 118 Cb -0.07 -4.80 -0.06 0.00 -1.58 0.00 0.00 42.46 35.95 3kpr s ILE 118 CO 0.12 -1.60 1.46 -0.61 -1.23 0.00 0.00 174.94 173.08 3kpr h GLN 119 N 9.44 0.87 -2.94 2.79 4.15 -1.96 -3.37 115.11 124.10 3kpr h GLN 119 Ca -0.08 -0.50 -0.61 0.00 0.77 0.00 0.00 58.65 58.23 3kpr h GLN 119 Cb 1.04 0.04 -0.41 0.00 0.21 0.00 0.00 27.48 28.36 3kpr h GLN 119 CO 1.21 1.14 -0.69 -0.80 -1.93 0.00 0.00 178.83 177.75 3kpr s ASN 120 N -6.89 3.84 0.24 -0.69 0.01 -1.26 -5.10 114.94 105.08 3kpr s ASN 120 Ca -0.10 -3.41 -0.31 0.00 -0.71 0.00 0.00 52.86 48.33 3kpr s ASN 120 Cb 0.11 -1.28 -0.11 0.00 0.41 0.00 0.00 41.25 40.39 3kpr s ASN 120 CO 0.88 -0.15 1.56 -2.16 -1.51 0.00 0.00 177.10 175.73 3kpr s PRO 121 N -0.72 4.18 -0.46 -0.60 0.04 -1.26 -4.95 135.00 131.23 3kpr s PRO 121 Ca 0.25 2.45 0.08 0.00 0.04 0.00 0.00 61.00 63.82 3kpr s PRO 121 Cb -0.08 -3.09 0.38 0.00 0.04 0.00 0.00 34.50 31.76 3kpr s PRO 121 CO -0.13 -0.59 0.95 -3.47 0.04 0.00 0.00 177.00 173.81 3kpr n ASP 122 N 2.93 3.40 -4.69 6.66 -0.08 0.86 -5.00 116.55 120.64 3kpr n ASP 122 Ca 0.10 -3.42 -0.42 0.00 -1.51 0.00 0.00 54.79 49.54 3kpr n ASP 122 Cb 0.38 -0.54 -0.03 0.00 2.34 0.00 0.00 41.12 43.27 3kpr n ASP 122 CO 0.00 0.00 0.00 -2.16 0.12 0.00 0.00 177.20 175.16 3kpr s PRO 123 N -3.24 4.13 -0.02 -0.67 0.04 -1.20 -4.63 135.00 129.41 3kpr s PRO 123 Ca 0.44 2.62 -0.11 0.00 0.04 0.00 0.00 61.00 63.99 3kpr s PRO 123 Cb 0.35 -3.66 0.02 0.00 0.04 0.00 0.00 34.50 31.25 3kpr s PRO 123 CO -0.12 -0.87 0.23 0.00 0.04 0.00 0.00 177.00 176.29 3kpr s ALA 124 N 2.96 -0.58 -0.27 8.56 0.00 -0.68 -0.07 121.76 131.67 3kpr s ALA 124 Ca 0.82 0.23 -0.04 0.00 0.00 0.00 0.00 51.96 52.97 3kpr s ALA 124 Cb -0.46 -0.01 0.02 0.00 0.00 0.00 0.00 23.12 22.67 3kpr s ALA 124 CO 0.37 -0.21 0.01 0.08 0.00 0.00 0.00 175.76 176.01 3kpr s VAL 125 N -1.06 3.39 0.11 0.00 1.01 -0.59 -1.32 120.40 121.94 3kpr s VAL 125 Ca -0.11 -0.89 0.05 0.00 0.00 0.00 0.00 61.98 61.02 3kpr s VAL 125 Cb -0.05 -2.75 -0.04 0.00 0.00 0.00 0.00 36.38 33.53 3kpr s VAL 125 CO 0.02 0.12 0.05 -0.31 0.00 0.00 0.00 175.10 174.99 3kpr s TYR 126 N 1.40 3.07 -0.15 5.22 2.02 -0.26 -4.41 117.35 124.24 3kpr s TYR 126 Ca 0.01 -0.00 -0.08 0.00 -0.37 0.00 0.00 57.07 56.63 3kpr s TYR 126 Cb -0.17 -1.54 -0.04 0.00 -0.40 0.00 0.00 41.96 39.80 3kpr s TYR 126 CO -0.01 0.50 0.11 -1.14 -1.57 0.00 0.00 175.55 173.44 3kpr s GLN 127 N -2.54 3.75 -0.12 -0.62 0.74 -1.26 -0.59 119.66 119.01 3kpr s GLN 127 Ca 0.28 -0.23 0.03 0.00 0.05 0.00 0.00 55.36 55.48 3kpr s GLN 127 Cb -0.11 -3.23 0.01 0.00 1.10 0.00 0.00 33.01 30.78 3kpr s GLN 127 CO 0.20 0.51 -0.20 -0.51 -0.55 0.00 0.00 175.29 174.75 3kpr s LEU 128 N -0.28 1.98 0.37 3.68 1.02 0.44 -5.00 118.68 120.89 3kpr s LEU 128 Ca 0.10 -0.53 -0.06 0.00 0.02 0.00 0.00 54.13 53.65 3kpr s LEU 128 Cb -0.12 -1.32 -0.05 0.00 0.02 0.00 0.00 46.19 44.73 3kpr s LEU 128 CO 0.01 0.08 0.66 0.00 0.02 0.00 0.00 176.35 177.12 3kpr s ARG 129 N 0.75 3.65 0.30 1.70 1.70 -1.26 -1.62 118.95 124.18 3kpr s ARG 129 Ca -0.10 0.16 -0.28 0.00 -0.47 0.00 0.00 55.73 55.04 3kpr s ARG 129 Cb -0.16 -2.52 -0.09 0.00 -0.57 0.00 0.00 34.95 31.61 3kpr s ARG 129 CO 0.01 0.05 1.09 0.34 -1.08 0.00 0.00 175.30 175.71 3kpr s ASP 130 N -3.40 7.16 0.29 -2.89 2.15 -1.14 -4.96 116.67 113.88 3kpr s ASP 130 Ca 0.47 2.22 0.14 0.00 0.43 0.00 0.00 52.55 55.81 3kpr s ASP 130 Cb -0.10 -2.62 0.33 0.00 -0.30 0.00 0.00 42.92 40.22 3kpr s ASP 130 CO 0.34 -0.22 1.57 0.77 -0.17 0.00 0.00 175.17 177.46 3kpr h SER 131 N 3.55 0.00 0.00 -0.34 4.64 -1.97 -3.42 113.55 116.01 3kpr h SER 131 Ca -0.47 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.85 3kpr h SER 131 Cb 1.21 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.30 3kpr h SER 131 CO 0.66 0.56 0.00 1.17 -0.87 0.00 0.00 176.83 178.35 3kpr n LYS 132 N -3.48 0.00 -3.05 4.77 3.00 -1.26 -5.02 118.16 113.11 3kpr n LYS 132 Ca 0.00 0.00 -0.33 0.00 -0.00 0.00 0.00 58.31 57.98 3kpr n LYS 132 Cb 0.65 -0.05 -0.06 0.00 0.00 0.00 0.00 35.03 35.57 3kpr n LYS 132 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.40 176.28 3kpr s SER 133 N -1.00 6.88 0.09 3.14 0.01 -1.26 -5.01 113.70 116.55 3kpr s SER 133 Ca 0.00 1.41 -0.16 0.00 1.31 0.00 0.00 55.95 58.51 3kpr s SER 133 Cb 0.00 -2.42 -0.09 0.00 0.21 0.00 0.00 66.02 63.72 3kpr s SER 133 CO 0.00 -0.19 1.43 0.28 0.41 0.00 0.00 173.24 175.17 3kpr h SER 134 N 2.44 0.66 0.89 2.44 0.02 -1.96 -3.35 113.55 114.68 3kpr h SER 134 Ca -0.48 -0.44 0.00 0.00 -0.84 0.00 0.00 61.79 60.03 3kpr h SER 134 Cb 1.18 -0.18 0.00 0.00 0.14 0.00 0.00 62.40 63.54 3kpr h SER 134 CO 0.64 0.96 0.00 0.47 -1.14 0.00 0.00 176.83 177.76 3kpr n ASP 135 N -4.36 0.57 -4.82 3.07 8.00 -1.26 -4.71 116.55 113.04 3kpr n ASP 135 Ca -0.04 0.61 -0.35 0.00 0.71 0.00 0.00 54.79 55.72 3kpr n ASP 135 Cb 0.41 -0.74 -0.06 0.00 -0.02 0.00 0.00 41.12 40.71 3kpr n ASP 135 CO 0.00 0.00 0.00 -0.54 -0.39 0.00 0.00 177.20 176.27 3kpr s LYS 136 N -3.20 4.22 -0.01 -1.24 1.02 -1.26 -5.05 119.74 114.21 3kpr s LYS 136 Ca 0.07 0.86 -0.21 0.00 0.02 0.00 0.00 55.97 56.70 3kpr s LYS 136 Cb 0.11 -2.78 0.04 0.00 -0.52 0.00 0.00 37.83 34.68 3kpr s LYS 136 CO 0.43 0.34 0.46 0.45 -0.92 0.00 0.00 175.35 176.10 3kpr s SER 137 N -1.77 -0.37 0.02 2.83 0.15 -1.26 -2.87 113.70 110.43 3kpr s SER 137 Ca 0.46 0.28 0.02 0.00 0.70 0.00 0.00 55.95 57.40 3kpr s SER 137 Cb -0.15 0.41 -0.01 0.00 -1.71 0.00 0.00 66.02 64.55 3kpr s SER 137 CO 0.20 -0.55 -0.06 -0.69 1.20 0.00 0.00 173.24 173.34 3kpr s VAL 138 N -1.53 0.44 -0.14 4.45 1.01 -0.64 -4.57 120.40 119.43 3kpr s VAL 138 Ca -0.11 -0.68 -0.02 0.00 0.00 0.00 0.00 61.98 61.16 3kpr s VAL 138 Cb -0.03 -0.46 -0.02 0.00 0.00 0.00 0.00 36.38 35.87 3kpr s VAL 138 CO 0.05 -0.18 -0.07 0.00 0.00 0.00 0.00 175.10 174.90 3kpr s LEU 140 N 0.31 3.49 -0.50 0.00 2.96 0.24 -1.00 118.68 124.19 3kpr s LEU 140 Ca -0.06 -1.16 -0.21 0.00 -0.22 0.00 0.00 54.13 52.47 3kpr s LEU 140 Cb -0.15 -1.64 0.04 0.00 0.50 0.00 0.00 46.19 44.94 3kpr s LEU 140 CO 0.04 -0.19 0.75 0.12 -1.32 0.00 0.00 176.35 175.74 3kpr s PHE 141 N 1.24 2.97 0.15 5.38 5.36 -0.39 -1.11 117.98 131.58 3kpr s PHE 141 Ca -0.04 -0.19 0.02 0.00 -0.96 0.00 0.00 56.93 55.75 3kpr s PHE 141 Cb -0.19 -3.68 -0.04 0.00 -0.34 0.00 0.00 43.02 38.77 3kpr s PHE 141 CO -0.04 -1.09 -0.01 -0.08 -1.46 0.00 0.00 175.22 172.54 3kpr s THR 142 N 3.16 0.66 -0.27 0.12 -1.32 -0.43 -0.69 115.64 116.85 3kpr s THR 142 Ca 0.23 -1.97 0.00 0.00 -1.21 0.00 0.00 61.69 58.74 3kpr s THR 142 Cb -0.15 -2.00 0.00 0.00 -1.51 0.00 0.00 72.50 68.84 3kpr s THR 142 CO 0.17 -0.58 0.00 0.47 -2.21 0.00 0.00 174.62 172.46 3kpr n ASP 143 N -0.18 -4.22 -4.86 8.08 9.92 -0.73 -1.69 116.55 122.86 3kpr n ASP 143 Ca -0.08 0.06 -0.31 0.00 -0.53 0.00 0.00 54.79 53.94 3kpr n ASP 143 Cb 0.63 -1.95 0.04 0.00 -0.64 0.00 0.00 41.12 39.19 3kpr n ASP 143 CO 0.00 0.00 0.00 0.72 0.13 0.00 0.00 177.20 178.05 3kpr s PHE 144 N -1.79 3.38 0.69 1.24 -0.12 -1.26 -0.10 117.98 120.02 3kpr s PHE 144 Ca 0.00 1.20 -0.04 0.00 -0.05 0.00 0.00 56.93 58.04 3kpr s PHE 144 Cb 0.00 -2.91 0.08 0.00 -0.63 0.00 0.00 43.02 39.57 3kpr s PHE 144 CO 0.00 -1.04 0.98 0.16 -0.05 0.00 0.00 175.22 175.27 3kpr s ASP 145 N -4.17 4.65 0.00 1.98 -4.77 -1.26 -4.29 116.67 108.80 3kpr s ASP 145 Ca 0.57 0.11 0.14 0.00 -3.30 0.00 0.00 52.55 50.08 3kpr s ASP 145 Cb -0.12 -0.70 0.63 0.00 -1.09 0.00 0.00 42.92 41.65 3kpr s ASP 145 CO 0.53 -1.66 1.46 -1.20 0.70 0.00 0.00 175.17 175.00 3kpr n SER 146 N -2.84 0.00 0.17 2.11 7.64 -1.26 -2.36 113.62 117.08 3kpr n SER 146 Ca 0.10 0.45 0.02 0.00 1.01 0.00 0.00 58.87 60.45 3kpr n SER 146 Cb 0.60 -0.47 0.30 0.00 -1.01 0.00 0.00 64.21 63.63 3kpr n SER 146 CO 0.00 0.00 0.00 1.56 -3.01 0.00 0.00 175.04 173.59 3kpr h GLN 147 N 0.00 0.00 -6.17 1.43 1.08 -1.96 -3.44 115.11 106.06 3kpr h GLN 147 Ca 0.00 0.00 -0.56 0.00 -1.45 0.00 0.00 58.65 56.64 3kpr h GLN 147 Cb 0.24 0.00 -0.05 0.00 -0.05 0.00 0.00 27.48 27.62 3kpr h GLN 147 CO 0.00 0.45 0.38 0.99 -0.95 0.00 0.00 178.83 179.71 3kpr s THR 148 N -3.92 4.88 -0.14 -0.54 2.01 -0.99 -5.05 115.64 111.89 3kpr s THR 148 Ca -0.02 1.82 -0.08 0.00 0.31 0.00 0.00 61.69 63.73 3kpr s THR 148 Cb 0.13 -4.22 -0.04 0.00 0.01 0.00 0.00 72.50 68.39 3kpr s THR 148 CO 0.73 0.09 0.13 0.20 -0.69 0.00 0.00 174.62 175.09 3kpr s ASN 149 N 1.04 6.30 -0.27 3.53 0.01 -1.26 -4.97 114.94 119.31 3kpr s ASN 149 Ca 0.44 0.39 -0.13 0.00 -0.71 0.00 0.00 52.86 52.86 3kpr s ASN 149 Cb -0.18 -2.06 -0.04 0.00 0.41 0.00 0.00 41.25 39.38 3kpr s ASN 149 CO 0.19 0.35 0.29 -0.69 -1.51 0.00 0.00 177.10 175.73 3kpr s VAL 150 N -0.66 5.24 0.10 1.60 1.01 -1.26 -4.24 120.40 122.19 3kpr s VAL 150 Ca 0.13 0.39 -0.13 0.00 0.00 0.00 0.00 61.98 62.37 3kpr s VAL 150 Cb -0.12 -3.62 -0.06 0.00 0.00 0.00 0.00 36.38 32.58 3kpr s VAL 150 CO 0.02 0.20 0.48 -0.44 0.00 0.00 0.00 175.10 175.37 3kpr s SER 151 N 1.69 6.78 0.51 3.32 0.01 -1.26 -4.86 113.70 119.89 3kpr s SER 151 Ca 0.11 0.98 -0.20 0.00 1.31 0.00 0.00 55.95 58.15 3kpr s SER 151 Cb -0.16 -2.25 -0.07 0.00 0.21 0.00 0.00 66.02 63.75 3kpr s SER 151 CO 0.10 0.17 1.07 -1.10 0.41 0.00 0.00 173.24 173.90 3kpr s GLN 152 N -1.75 3.63 0.40 12.44 -1.52 -1.26 -4.73 119.66 126.86 3kpr s GLN 152 Ca 0.34 1.46 -0.25 0.00 -1.95 0.00 0.00 55.36 54.96 3kpr s GLN 152 Cb -0.15 -2.06 -0.08 0.00 -0.22 0.00 0.00 33.01 30.49 3kpr s GLN 152 CO 0.18 -0.59 1.16 -1.54 -0.25 0.00 0.00 175.29 174.24 3kpr s SER 153 N -1.89 6.55 0.29 5.90 1.04 -1.26 -4.94 113.70 119.38 3kpr s SER 153 Ca 0.69 2.32 0.25 0.00 0.48 0.00 0.00 55.95 59.70 3kpr s SER 153 Cb -0.19 -2.61 0.69 0.00 0.10 0.00 0.00 66.02 64.00 3kpr s SER 153 CO 0.23 -0.65 1.73 0.07 0.98 0.00 0.00 173.24 175.59 3kpr h LYS 154 N 2.64 0.00 -6.13 4.02 2.10 -1.94 -3.45 116.57 113.82 3kpr h LYS 154 Ca -0.49 0.00 -0.56 0.00 -2.00 0.00 0.00 60.65 57.61 3kpr h LYS 154 Cb 1.23 0.00 -0.05 0.00 -0.90 0.00 0.00 32.23 32.51 3kpr h LYS 154 CO 0.63 0.00 0.08 0.34 -2.00 0.00 0.00 179.45 178.49 3kpr s ASP 155 N -5.05 7.05 0.39 7.07 3.68 -1.26 -4.98 116.67 123.57 3kpr s ASP 155 Ca 0.09 1.26 0.21 0.00 2.13 0.00 0.00 52.55 56.24 3kpr s ASP 155 Cb 0.10 -2.41 0.50 0.00 -1.45 0.00 0.00 42.92 39.66 3kpr s ASP 155 CO 0.61 -0.01 1.65 0.28 0.13 0.00 0.00 175.17 177.83 3kpr h SER 156 N 6.07 0.00 -0.20 -0.34 0.02 -2.04 -3.13 113.55 113.92 3kpr h SER 156 Ca -0.43 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.52 3kpr h SER 156 Cb 1.20 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.74 3kpr h SER 156 CO 0.72 0.27 0.00 0.47 -1.14 0.00 0.00 176.83 177.15 3kpr n ASP 157 N -3.25 2.94 -4.34 3.07 10.43 -1.26 -4.82 116.55 119.32 3kpr n ASP 157 Ca 0.02 -1.93 -0.34 0.00 2.57 0.00 0.00 54.79 55.11 3kpr n ASP 157 Cb 0.56 -0.12 -0.14 0.00 1.84 0.00 0.00 41.12 43.25 3kpr n ASP 157 CO 0.00 0.00 0.00 -0.69 -1.07 0.00 0.00 177.20 175.44 3kpr s VAL 158 N -1.76 3.18 -0.19 2.53 1.01 -1.18 -3.62 120.40 120.37 3kpr s VAL 158 Ca 0.34 -0.59 -0.04 0.00 0.00 0.00 0.00 61.98 61.69 3kpr s VAL 158 Cb 0.21 -2.38 -0.02 0.00 0.00 0.00 0.00 36.38 34.19 3kpr s VAL 158 CO 0.31 0.49 -0.03 -0.31 0.00 0.00 0.00 175.10 175.55 3kpr s TYR 159 N 0.82 2.99 -0.13 5.22 2.02 -0.52 -4.71 117.35 123.05 3kpr s TYR 159 Ca -0.03 -0.54 0.02 0.00 -0.37 0.00 0.00 57.07 56.14 3kpr s TYR 159 Cb -0.15 -2.04 0.02 0.00 -0.40 0.00 0.00 41.96 39.39 3kpr s TYR 159 CO 0.01 -0.26 -0.17 0.42 -1.57 0.00 0.00 175.55 173.98 3kpr s ILE 160 N 0.90 1.67 0.51 2.71 1.01 -1.26 -1.78 121.20 124.96 3kpr s ILE 160 Ca -0.00 -0.73 -0.18 0.00 0.00 0.00 0.00 60.65 59.74 3kpr s ILE 160 Cb -0.14 -1.52 -0.08 0.00 0.01 0.00 0.00 42.46 40.72 3kpr s ILE 160 CO 0.01 0.48 1.00 0.42 0.00 0.00 0.00 174.94 176.84 3kpr s THR 161 N 1.08 4.30 0.90 2.92 -4.23 0.55 -4.76 115.64 116.41 3kpr s THR 161 Ca -0.03 1.21 -0.10 0.00 -1.18 0.00 0.00 61.69 61.58 3kpr s THR 161 Cb -0.14 -3.61 0.14 0.00 1.34 0.00 0.00 72.50 70.23 3kpr s THR 161 CO -0.04 -0.53 1.16 -1.81 -0.54 0.00 0.00 174.62 172.85 3kpr s ASP 162 N -2.71 2.94 0.11 3.99 1.01 -1.26 -4.43 116.67 116.33 3kpr s ASP 162 Ca 0.61 2.23 -0.31 0.00 0.71 0.00 0.00 52.55 55.80 3kpr s ASP 162 Cb -0.11 -2.57 -0.07 0.00 1.01 0.00 0.00 42.92 41.17 3kpr s ASP 162 CO 0.27 -3.09 1.28 -1.59 0.21 0.00 0.00 175.17 172.24 3kpr s LYS 163 N -4.58 4.40 0.02 8.23 -2.85 -1.26 -4.66 119.74 119.04 3kpr s LYS 163 Ca 0.68 1.92 0.08 0.00 -1.00 0.00 0.00 55.97 57.65 3kpr s LYS 163 Cb -0.24 -3.28 -0.03 0.00 -2.06 0.00 0.00 37.83 32.22 3kpr s LYS 163 CO 0.57 -0.30 -0.23 -0.08 0.10 0.00 0.00 175.35 175.41 3kpr s THR 164 N 0.83 2.37 -0.21 3.79 -1.32 -0.17 -4.95 115.64 115.98 3kpr s THR 164 Ca 0.60 -1.21 -0.12 0.00 -1.21 0.00 0.00 61.69 59.75 3kpr s THR 164 Cb -0.33 -1.92 -0.05 0.00 -1.51 0.00 0.00 72.50 68.69 3kpr s THR 164 CO 0.31 0.43 0.23 -0.69 -2.21 0.00 0.00 174.62 172.70 3kpr s VAL 165 N -0.78 5.33 0.10 5.08 1.01 -1.26 -2.10 120.40 127.78 3kpr s VAL 165 Ca 0.12 0.37 -0.09 0.00 0.00 0.00 0.00 61.98 62.38 3kpr s VAL 165 Cb -0.10 -3.57 -0.06 0.00 0.00 0.00 0.00 36.38 32.65 3kpr s VAL 165 CO 0.02 0.36 0.41 -0.22 0.00 0.00 0.00 175.10 175.67 3kpr s LEU 166 N 0.82 4.32 -0.29 3.92 1.98 0.36 -4.95 118.68 124.84 3kpr s LEU 166 Ca 0.12 0.78 -0.03 0.00 -2.89 0.00 0.00 54.13 52.11 3kpr s LEU 166 Cb -0.13 -3.09 0.10 0.00 0.66 0.00 0.00 46.19 43.72 3kpr s LEU 166 CO 0.04 0.13 0.11 -0.62 -1.89 0.00 0.00 176.35 174.12 3kpr s ASP 167 N -1.91 3.67 -0.77 3.68 -1.08 -1.26 -2.44 116.67 116.55 3kpr s ASP 167 Ca 0.35 -1.38 -0.22 0.00 -0.52 0.00 0.00 52.55 50.78 3kpr s ASP 167 Cb -0.13 -0.56 0.08 0.00 -1.46 0.00 0.00 42.92 40.85 3kpr s ASP 167 CO 0.19 -0.42 1.08 -0.04 0.52 0.00 0.00 175.17 176.50 3kpr s MET 168 N 1.90 3.30 0.39 4.34 -1.94 0.74 -4.90 119.30 123.12 3kpr s MET 168 Ca 0.09 -1.06 0.21 0.00 -1.71 0.00 0.00 55.69 53.21 3kpr s MET 168 Cb -0.17 -4.52 0.60 0.00 2.01 0.00 0.00 34.83 32.75 3kpr s MET 168 CO -0.30 -1.87 1.69 0.00 -0.01 0.00 0.00 175.02 174.52 3kpr h ARG 169 N 9.43 0.00 0.00 2.03 3.08 -1.96 -1.00 114.38 125.96 3kpr h ARG 169 Ca -0.12 0.00 -0.07 0.00 0.07 0.00 0.00 59.98 59.86 3kpr h ARG 169 Cb 1.05 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 31.09 3kpr h ARG 169 CO 1.19 0.30 -0.31 0.66 -1.07 0.00 0.00 179.97 180.74 3kpr h SER 170 N 0.00 0.00 -0.01 7.04 4.64 -1.96 -3.15 113.55 120.11 3kpr h SER 170 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3kpr h SER 170 Cb 0.97 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.06 3kpr h SER 170 CO 0.04 0.31 -0.02 0.23 -0.87 0.00 0.00 176.83 176.52 3kpr n MET 171 N -3.59 0.67 -4.07 4.77 2.81 -1.08 -4.99 117.12 111.65 3kpr n MET 171 Ca -0.01 -1.07 -0.27 0.00 -1.81 0.00 0.00 57.70 54.54 3kpr n MET 171 Cb 0.44 -1.19 -0.05 0.00 -0.71 0.00 0.00 33.22 31.72 3kpr n MET 171 CO 0.00 0.00 0.00 -3.47 1.51 0.00 0.00 175.97 174.01 3kpr n ASP 172 N 0.50 0.04 -4.12 7.83 2.03 -0.50 -4.97 116.55 117.37 3kpr n ASP 172 Ca 0.06 -1.10 -0.31 0.00 0.52 0.00 0.00 54.79 53.96 3kpr n ASP 172 Cb 0.26 -2.59 -0.16 0.00 -0.72 0.00 0.00 41.12 37.91 3kpr n ASP 172 CO 0.00 0.00 0.00 0.12 -1.92 0.00 0.00 177.20 175.40 3kpr s PHE 173 N -4.09 2.45 0.07 -0.67 5.36 -0.52 -5.01 117.98 115.58 3kpr s PHE 173 Ca 0.01 -1.27 0.08 0.00 -0.96 0.00 0.00 56.93 54.79 3kpr s PHE 173 Cb -0.00 -1.71 -0.04 0.00 -0.34 0.00 0.00 43.02 40.94 3kpr s PHE 173 CO 0.92 -0.61 -0.18 0.15 -1.46 0.00 0.00 175.22 174.05 3kpr s LYS 174 N 1.00 1.98 -0.11 10.12 1.02 -1.26 -0.19 119.74 132.30 3kpr s LYS 174 Ca -0.04 -1.05 -0.13 0.00 0.02 0.00 0.00 55.97 54.77 3kpr s LYS 174 Cb -0.15 -2.17 0.03 0.00 -0.52 0.00 0.00 37.83 35.02 3kpr s LYS 174 CO -0.04 0.52 0.35 -1.54 -0.92 0.00 0.00 175.35 173.72 3kpr s SER 175 N -1.71 -0.34 0.37 2.83 1.04 -1.02 -4.95 113.70 109.91 3kpr s SER 175 Ca 0.16 0.61 -0.16 0.00 0.48 0.00 0.00 55.95 57.03 3kpr s SER 175 Cb -0.11 0.65 -0.09 0.00 0.10 0.00 0.00 66.02 66.58 3kpr s SER 175 CO 0.07 -0.19 0.81 0.20 0.98 0.00 0.00 173.24 175.11 3kpr s ASN 176 N -0.10 6.79 -0.02 7.02 0.01 -1.26 -0.48 114.94 126.89 3kpr s ASN 176 Ca -0.03 1.39 -0.27 0.00 -0.71 0.00 0.00 52.86 53.25 3kpr s ASN 176 Cb -0.03 -2.42 0.06 0.00 0.41 0.00 0.00 41.25 39.27 3kpr s ASN 176 CO 0.01 -0.28 0.60 -0.94 -1.51 0.00 0.00 177.10 174.98 3kpr s SER 177 N -2.36 -0.56 0.06 -1.22 1.04 -0.89 -1.78 113.70 108.00 3kpr s SER 177 Ca 0.56 0.52 0.05 0.00 0.48 0.00 0.00 55.95 57.56 3kpr s SER 177 Cb -0.10 0.50 -0.03 0.00 0.10 0.00 0.00 66.02 66.50 3kpr s SER 177 CO 0.18 -0.62 -0.14 0.00 0.98 0.00 0.00 173.24 173.64 3kpr s ALA 178 N -1.49 1.15 -0.07 5.32 0.00 0.13 -1.00 121.76 125.79 3kpr s ALA 178 Ca -0.10 -0.95 0.03 0.00 0.00 0.00 0.00 51.96 50.94 3kpr s ALA 178 Cb -0.01 -0.11 -0.02 0.00 0.00 0.00 0.00 23.12 22.98 3kpr s ALA 178 CO 0.07 0.17 -0.16 0.08 0.00 0.00 0.00 175.76 175.92 3kpr s VAL 179 N -1.17 2.89 -0.00 0.00 1.01 -1.26 -1.26 120.40 120.61 3kpr s VAL 179 Ca -0.01 -0.76 0.04 0.00 0.00 0.00 0.00 61.98 61.24 3kpr s VAL 179 Cb -0.09 -2.15 -0.01 0.00 0.00 0.00 0.00 36.38 34.13 3kpr s VAL 179 CO 0.02 0.57 -0.13 0.00 0.00 0.00 0.00 175.10 175.56 3kpr s ALA 180 N -0.32 1.08 0.10 5.51 0.00 -0.17 -0.33 121.76 127.62 3kpr s ALA 180 Ca 0.02 -0.59 -0.10 0.00 0.00 0.00 0.00 51.96 51.29 3kpr s ALA 180 Cb -0.13 -0.26 0.01 0.00 0.00 0.00 0.00 23.12 22.74 3kpr s ALA 180 CO 0.02 0.25 0.24 1.67 0.00 0.00 0.00 175.76 177.95 3kpr s TRP 181 N -0.37 0.06 0.02 0.00 -2.14 -0.73 -0.33 118.94 115.45 3kpr s TRP 181 Ca 0.04 -0.46 -0.10 0.00 2.66 0.00 0.00 56.10 58.24 3kpr s TRP 181 Cb -0.05 0.02 0.01 0.00 -3.10 0.00 0.00 33.47 30.34 3kpr s TRP 181 CO -0.00 -0.58 0.21 0.45 -2.66 0.00 0.00 176.95 174.37 3kpr s SER 182 N -2.83 -0.02 0.43 -2.66 0.15 -1.26 -1.44 113.70 106.07 3kpr s SER 182 Ca 0.04 -0.24 0.28 0.00 0.70 0.00 0.00 55.95 56.73 3kpr s SER 182 Cb 0.04 0.27 0.88 0.00 -1.71 0.00 0.00 66.02 65.50 3kpr s SER 182 CO -0.11 -0.49 1.79 0.78 1.20 0.00 0.00 173.24 176.40 3kpr h ASN 183 N 3.72 0.00 -3.69 5.45 4.21 -1.98 -3.47 115.58 119.83 3kpr h ASN 183 Ca -0.31 0.00 -0.50 0.00 1.21 0.00 0.00 56.30 56.70 3kpr h ASN 183 Cb 1.19 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 38.39 3kpr h ASN 183 CO 0.45 0.00 0.11 -1.59 -1.29 0.00 0.00 177.43 175.10 3kpr s LYS 184 N -3.38 3.80 0.15 0.81 -2.85 -1.26 -5.01 119.74 111.99 3kpr s LYS 184 Ca 0.05 0.48 -0.06 0.00 -1.00 0.00 0.00 55.97 55.44 3kpr s LYS 184 Cb 0.08 -2.40 -0.01 0.00 -2.06 0.00 0.00 37.83 33.44 3kpr s LYS 184 CO 0.57 -0.01 1.40 1.03 0.10 0.00 0.00 175.35 178.44 3kpr h SER 185 N 1.37 0.67 -2.62 0.03 0.87 -1.99 -3.33 113.55 108.55 3kpr h SER 185 Ca -0.47 -0.43 -0.73 0.00 -1.23 0.00 0.00 61.79 58.93 3kpr h SER 185 Cb 1.19 -0.20 -0.33 0.00 -0.44 0.00 0.00 62.40 62.61 3kpr h SER 185 CO 0.64 1.19 0.26 -0.67 -0.53 0.00 0.00 176.83 177.72 3kpr n ASP 186 N -3.89 5.43 -3.98 6.23 2.03 -1.26 -4.94 116.55 116.18 3kpr n ASP 186 Ca -0.05 -3.44 -0.31 0.00 0.52 0.00 0.00 54.79 51.51 3kpr n ASP 186 Cb 0.71 -1.03 -0.15 0.00 -0.72 0.00 0.00 41.12 39.92 3kpr n ASP 186 CO 0.00 0.00 0.00 0.12 -1.92 0.00 0.00 177.20 175.40 3kpr s PHE 187 N -2.73 3.45 -0.24 -0.67 5.36 -1.25 -5.09 117.98 116.81 3kpr s PHE 187 Ca 0.35 -2.92 -0.07 0.00 -0.96 0.00 0.00 56.93 53.33 3kpr s PHE 187 Cb 0.09 -2.78 -0.03 0.00 -0.34 0.00 0.00 43.02 39.96 3kpr s PHE 187 CO 0.06 -0.90 0.06 0.00 -1.46 0.00 0.00 175.22 172.98 3kpr s ALA 188 N 0.73 3.16 0.34 11.12 0.00 -1.26 -4.99 121.76 130.87 3kpr s ALA 188 Ca 0.12 -1.07 0.13 0.00 0.00 0.00 0.00 51.96 51.14 3kpr s ALA 188 Cb -0.20 -2.02 1.09 0.00 0.00 0.00 0.00 23.12 21.99 3kpr s ALA 188 CO -0.08 -0.38 1.59 0.00 0.00 0.00 0.00 175.76 176.89 3kpr n ALA 190 N -2.59 1.24 -0.22 0.00 0.00 -1.26 0.48 120.51 118.16 3kpr n ALA 190 Ca 0.32 0.80 0.04 0.00 0.00 0.00 0.00 53.44 54.60 3kpr n ALA 190 Cb 1.05 -0.97 0.12 0.00 0.00 0.00 0.00 19.45 19.65 3kpr n ALA 190 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.50 177.77 3kpr n ASN 191 N -4.56 2.71 -0.16 0.00 2.04 -0.88 -4.73 115.26 109.69 3kpr n ASN 191 Ca 0.37 -2.12 -0.08 0.00 -0.44 0.00 0.00 54.58 52.31 3kpr n ASN 191 Cb 1.43 -0.20 0.01 0.00 -2.53 0.00 0.00 39.78 38.49 3kpr n ASN 191 CO 0.00 0.00 0.00 0.00 -0.44 0.00 0.00 177.26 176.82 3kpr h ALA 192 N 1.33 0.59 -0.81 -2.53 0.00 -0.08 -3.17 119.26 114.59 3kpr h ALA 192 Ca 0.00 -0.10 -0.33 0.00 0.00 0.00 0.00 54.91 54.47 3kpr h ALA 192 Cb 0.73 -0.18 -0.20 0.00 0.00 0.00 0.00 17.79 18.14 3kpr h ALA 192 CO 0.02 0.13 0.40 1.19 0.00 0.00 0.00 179.25 180.99 3kpr n PHE 193 N -4.66 2.60 0.29 0.00 3.01 -1.26 -4.56 117.46 112.87 3kpr n PHE 193 Ca 0.01 -1.49 0.15 0.00 1.01 0.00 0.00 57.45 57.13 3kpr n PHE 193 Cb 0.10 -0.78 0.91 0.00 -0.01 0.00 0.00 39.48 39.70 3kpr n PHE 193 CO 0.00 0.00 0.00 -0.91 1.01 0.00 0.00 176.76 176.86 3kpr h ASN 194 N 1.87 0.00 0.70 4.37 2.35 -1.88 -1.28 115.58 121.71 3kpr h ASN 194 Ca 0.41 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 56.16 3kpr h ASN 194 Cb 2.50 0.00 0.00 0.00 0.05 0.00 0.00 38.32 40.87 3kpr h ASN 194 CO 0.86 0.00 0.00 -3.20 -1.65 0.00 0.00 177.43 173.44 3kpr n ASN 195 N -3.87 0.00 -4.73 5.81 5.15 -1.26 -4.76 115.26 111.60 3kpr n ASN 195 Ca -0.03 0.38 -0.31 0.00 -0.60 0.00 0.00 54.58 54.02 3kpr n ASN 195 Cb 0.10 -0.45 -0.08 0.00 -0.53 0.00 0.00 39.78 38.82 3kpr n ASN 195 CO 0.00 0.00 0.00 -0.44 1.40 0.00 0.00 177.26 178.22 3kpr s SER 196 N -2.90 5.30 -1.12 1.20 0.01 -0.48 -4.62 113.70 111.09 3kpr s SER 196 Ca 0.13 -0.03 -0.20 0.00 1.31 0.00 0.00 55.95 57.16 3kpr s SER 196 Cb 0.15 -1.38 0.07 0.00 0.21 0.00 0.00 66.02 65.06 3kpr s SER 196 CO 0.40 0.22 1.52 -0.63 0.41 0.00 0.00 173.24 175.15 3kpr s ILE 197 N -1.26 4.12 0.45 1.44 1.01 -1.26 -4.99 121.20 120.71 3kpr s ILE 197 Ca 0.25 -1.34 -0.15 0.00 0.00 0.00 0.00 60.65 59.41 3kpr s ILE 197 Cb -0.12 -5.07 -0.08 0.00 0.01 0.00 0.00 42.46 37.20 3kpr s ILE 197 CO 0.17 -1.91 0.88 0.27 0.00 0.00 0.00 174.94 174.34 3kpr s ILE 198 N 4.32 4.62 0.48 2.92 -4.36 -1.26 -4.59 121.20 123.34 3kpr s ILE 198 Ca 0.47 1.01 -0.24 0.00 -0.26 0.00 0.00 60.65 61.63 3kpr s ILE 198 Cb 0.01 -3.70 -0.07 0.00 1.25 0.00 0.00 42.46 39.94 3kpr s ILE 198 CO -0.03 -0.54 1.31 -2.65 0.24 0.00 0.00 174.94 173.26 3kpr n PRO 199 N -1.27 1.84 0.00 0.37 -0.02 -1.26 -4.90 135.00 129.76 3kpr n PRO 199 Ca 0.05 0.66 0.11 0.00 -2.02 0.00 0.00 63.50 62.30 3kpr n PRO 199 Cb 0.54 -2.48 0.50 0.00 -0.02 0.00 0.00 33.50 32.04 3kpr n PRO 199 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 3kpr n GLU 200 N -0.43 0.07 -0.58 -0.52 -0.58 -1.26 -2.72 120.64 114.62 3kpr n GLU 200 Ca 0.08 0.10 0.08 0.00 -0.42 0.00 0.00 57.16 57.00 3kpr n GLU 200 Cb 0.42 -1.50 0.31 0.00 -0.57 0.00 0.00 31.44 30.10 3kpr n GLU 200 CO 0.00 0.00 0.00 -0.40 -0.48 0.00 0.00 177.13 176.25 3kpr n ASP 201 N -1.46 4.48 -4.72 1.62 5.75 -1.26 -5.02 116.55 115.95 3kpr n ASP 201 Ca 0.07 -2.82 -0.43 0.00 -0.01 0.00 0.00 54.79 51.60 3kpr n ASP 201 Cb 0.25 -0.56 -0.03 0.00 -1.03 0.00 0.00 41.12 39.75 3kpr n ASP 201 CO 0.00 0.00 0.00 0.41 -0.11 0.00 0.00 177.20 177.50 3kpr n THR 202 N 0.16 0.37 -2.90 2.12 -1.04 -1.10 -4.83 114.28 107.06 3kpr n THR 202 Ca 0.23 -0.09 -0.42 0.00 -2.04 0.00 0.00 64.05 61.73 3kpr n THR 202 Cb 0.94 -1.89 -0.04 0.00 -1.82 0.00 0.00 70.33 67.52 3kpr n THR 202 CO 0.00 0.00 0.00 0.12 -0.64 0.00 0.00 175.07 174.55 3kpr s PHE 203 N 0.71 3.31 -0.48 -1.42 5.36 0.90 -4.94 117.98 121.41 3kpr s PHE 203 Ca 0.72 1.12 0.01 0.00 -0.96 0.00 0.00 56.93 57.82 3kpr s PHE 203 Cb -0.53 -3.05 0.13 0.00 -0.34 0.00 0.00 43.02 39.23 3kpr s PHE 203 CO 0.39 -0.40 0.24 -0.06 -1.46 0.00 0.00 175.22 173.93 3kpr s PHE 204 N 2.83 3.45 0.17 10.12 0.40 -1.26 -1.54 117.98 132.15 3kpr s PHE 204 Ca 0.34 -2.90 -0.32 0.00 -0.60 0.00 0.00 56.93 53.45 3kpr s PHE 204 Cb -0.15 -3.00 -0.12 0.00 0.51 0.00 0.00 43.02 40.25 3kpr s PHE 204 CO 0.07 -0.86 1.73 -0.35 0.70 0.00 0.00 175.22 176.52 3kpr n PRO 205 N 3.73 2.65 0.00 0.24 -0.04 -1.26 -5.08 135.00 135.24 3kpr n PRO 205 Ca 0.04 0.96 0.15 0.00 -0.04 0.00 0.00 63.50 64.61 3kpr n PRO 205 Cb 0.37 -2.80 0.89 0.00 -0.04 0.00 0.00 33.50 31.92 3kpr n PRO 205 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33