#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 1.56 -0.03 3.15 -4.23 -1.26 -4.70 115.64 110.12 3kpr s THR 3 Ca 0.00 -1.19 0.02 0.00 -1.18 0.00 0.00 61.69 59.33 3kpr s THR 3 Cb 0.00 -1.37 -0.03 0.00 1.34 0.00 0.00 72.50 72.44 3kpr s THR 3 CO 0.00 0.14 -0.05 0.42 -0.54 0.00 0.00 174.62 174.59 3kpr s THR 4 N -0.84 3.80 0.07 3.99 -4.23 -0.79 -4.91 115.64 112.74 3kpr s THR 4 Ca 0.06 -0.58 -0.07 0.00 -1.18 0.00 0.00 61.69 59.92 3kpr s THR 4 Cb -0.09 -2.62 -0.01 0.00 1.34 0.00 0.00 72.50 71.13 3kpr s THR 4 CO 0.02 0.49 0.14 0.00 -0.54 0.00 0.00 174.62 174.73 3kpr s GLN 5 N -1.15 0.77 0.69 3.99 -2.07 -1.26 -1.01 119.66 119.62 3kpr s GLN 5 Ca 0.15 -0.97 -0.17 0.00 -1.82 0.00 0.00 55.36 52.56 3kpr s GLN 5 Cb -0.11 0.31 -0.00 0.00 -1.09 0.00 0.00 33.01 32.11 3kpr s GLN 5 CO 0.05 -0.22 1.10 -2.30 -1.32 0.00 0.00 175.29 172.59 3kpr n PRO 7 N 0.08 0.73 -0.26 9.60 -0.02 -1.26 -4.86 135.00 139.01 3kpr n PRO 7 Ca -0.15 0.31 -0.07 0.00 -2.02 0.00 0.00 63.50 61.56 3kpr n PRO 7 Cb 0.62 -2.34 0.05 0.00 -0.02 0.00 0.00 33.50 31.81 3kpr n PRO 7 CO 0.00 0.00 0.00 -0.97 1.98 0.00 0.00 175.50 176.51 3kpr h ASN 8 N 0.05 1.01 -5.19 2.55 -0.73 -1.98 -3.33 115.58 107.96 3kpr h ASN 8 Ca -0.49 -0.19 -0.06 0.00 1.87 0.00 0.00 56.30 57.43 3kpr h ASN 8 Cb 1.34 -0.26 -0.11 0.00 0.27 0.00 0.00 38.32 39.56 3kpr h ASN 8 CO 0.49 0.92 -0.14 -0.94 -0.37 0.00 0.00 177.43 177.40 3kpr s SER 9 N -6.29 -0.10 -0.17 1.15 1.04 -1.26 -3.67 113.70 104.39 3kpr s SER 9 Ca -0.12 -0.73 -0.12 0.00 0.48 0.00 0.00 55.95 55.45 3kpr s SER 9 Cb 0.14 0.52 0.05 0.00 0.10 0.00 0.00 66.02 66.84 3kpr s SER 9 CO 0.83 -1.01 0.44 -0.32 0.98 0.00 0.00 173.24 174.16 3kpr s MET 10 N -3.94 0.46 0.11 4.02 1.75 -1.05 -4.90 119.30 115.74 3kpr s MET 10 Ca 0.15 0.73 0.06 0.00 -1.25 0.00 0.00 55.69 55.39 3kpr s MET 10 Cb 0.01 0.11 -0.04 0.00 2.84 0.00 0.00 34.83 37.74 3kpr s MET 10 CO 0.01 -0.11 -0.06 -1.21 -0.65 0.00 0.00 175.02 172.99 3kpr s GLU 11 N 0.90 2.26 -0.08 4.11 0.41 -1.26 -0.72 118.70 124.32 3kpr s GLU 11 Ca -0.05 -0.98 -0.30 0.00 -0.41 0.00 0.00 54.97 53.23 3kpr s GLU 11 Cb -0.06 -2.37 0.09 0.00 -1.78 0.00 0.00 34.13 30.01 3kpr s GLU 11 CO -0.07 0.51 0.81 -1.54 -0.49 0.00 0.00 175.26 174.48 3kpr s SER 12 N -2.30 -0.53 0.55 -0.19 1.04 -0.77 -4.95 113.70 106.55 3kpr s SER 12 Ca 0.23 0.51 -0.18 0.00 0.48 0.00 0.00 55.95 57.00 3kpr s SER 12 Cb -0.11 0.44 -0.06 0.00 0.10 0.00 0.00 66.02 66.40 3kpr s SER 12 CO 0.15 -0.53 1.06 0.20 0.98 0.00 0.00 173.24 175.11 3kpr s ASN 13 N -1.33 5.96 0.81 7.02 0.01 -1.26 -1.02 114.94 125.13 3kpr s ASN 13 Ca -0.06 1.92 -0.11 0.00 -0.71 0.00 0.00 52.86 53.90 3kpr s ASN 13 Cb -0.00 -2.55 0.08 0.00 0.41 0.00 0.00 41.25 39.18 3kpr s ASN 13 CO 0.04 -1.05 1.09 -1.83 -1.51 0.00 0.00 177.10 173.85 3kpr s GLU 14 N -3.64 1.98 0.00 -0.60 -1.05 -0.54 -3.54 118.70 111.31 3kpr s GLU 14 Ca 0.66 1.02 0.00 0.00 -0.15 0.00 0.00 54.97 56.50 3kpr s GLU 14 Cb -0.17 -1.88 0.00 0.00 -0.44 0.00 0.00 34.13 31.64 3kpr s GLU 14 CO 0.29 -1.79 0.00 0.39 0.95 0.00 0.00 175.26 175.10 3kpr n GLU 15 N -3.60 -1.51 -4.30 -4.83 1.02 0.13 -4.89 120.64 102.65 3kpr n GLU 15 Ca 0.08 0.38 -0.24 0.00 -0.02 0.00 0.00 57.16 57.36 3kpr n GLU 15 Cb 0.54 -4.63 -0.12 0.00 -0.02 0.00 0.00 31.44 27.21 3kpr n GLU 15 CO 0.00 0.00 0.00 -1.21 1.18 0.00 0.00 177.13 177.10 3kpr s GLU 16 N -1.59 1.16 0.47 3.49 2.02 -1.23 -4.74 118.70 118.27 3kpr s GLU 16 Ca 0.00 -1.20 -0.23 0.00 0.02 0.00 0.00 54.97 53.56 3kpr s GLU 16 Cb 0.00 -1.43 -0.07 0.00 0.10 0.00 0.00 34.13 32.73 3kpr s GLU 16 CO 0.00 0.33 1.21 -1.25 0.02 0.00 0.00 175.26 175.57 3kpr s PRO 17 N -2.00 3.66 -0.10 0.39 0.04 -1.17 -2.98 135.00 132.84 3kpr s PRO 17 Ca 0.08 1.90 0.03 0.00 0.04 0.00 0.00 61.00 63.05 3kpr s PRO 17 Cb -0.10 -2.41 -0.01 0.00 0.04 0.00 0.00 34.50 32.02 3kpr s PRO 17 CO 0.05 -0.67 -0.20 0.08 0.04 0.00 0.00 177.00 176.30 3kpr s VAL 18 N -1.47 2.49 -0.32 -0.36 1.01 -0.06 -4.97 120.40 116.73 3kpr s VAL 18 Ca 0.64 -0.88 -0.01 0.00 0.00 0.00 0.00 61.98 61.73 3kpr s VAL 18 Cb -0.32 -1.98 0.06 0.00 0.00 0.00 0.00 36.38 34.14 3kpr s VAL 18 CO 0.39 0.55 0.03 -1.00 0.00 0.00 0.00 175.10 175.07 3kpr s HIS 19 N 0.14 3.35 -0.40 5.22 3.76 -1.26 -0.89 115.29 125.21 3kpr s HIS 19 Ca -0.10 -2.06 -0.14 0.00 -0.15 0.00 0.00 55.06 52.60 3kpr s HIS 19 Cb -0.16 -2.35 0.02 0.00 1.11 0.00 0.00 32.58 31.21 3kpr s HIS 19 CO 0.06 -0.85 0.28 -0.51 -0.85 0.00 0.00 174.74 172.87 3kpr s LEU 20 N 1.20 5.04 0.36 0.89 1.43 0.57 -4.94 118.68 123.23 3kpr s LEU 20 Ca -0.02 -0.93 -0.10 0.00 -1.03 0.00 0.00 54.13 52.05 3kpr s LEU 20 Cb -0.20 -2.13 -0.07 0.00 0.03 0.00 0.00 46.19 43.82 3kpr s LEU 20 CO -0.02 -0.44 0.71 -2.16 0.23 0.00 0.00 176.35 174.67 3kpr s PRO 21 N 1.65 3.78 -0.10 1.29 0.04 -1.26 -0.25 135.00 140.15 3kpr s PRO 21 Ca 0.04 0.40 -0.07 0.00 0.04 0.00 0.00 61.00 61.41 3kpr s PRO 21 Cb -0.19 -2.46 0.03 0.00 0.04 0.00 0.00 34.50 31.92 3kpr s PRO 21 CO 0.09 0.06 0.24 0.00 0.04 0.00 0.00 177.00 177.43 3kpr s ASN 23 N 0.54 5.35 -0.46 0.00 -0.87 -0.18 -1.48 114.94 117.85 3kpr s ASN 23 Ca -0.03 0.08 0.06 0.00 -1.57 0.00 0.00 52.86 51.40 3kpr s ASN 23 Cb -0.05 -1.76 0.21 0.00 -0.02 0.00 0.00 41.25 39.63 3kpr s ASN 23 CO -0.03 0.26 0.62 0.00 -2.57 0.00 0.00 177.10 175.37 3kpr n HIS 24 N 2.96 -2.20 0.81 2.20 1.44 0.38 -1.88 115.22 118.93 3kpr n HIS 24 Ca -0.18 -2.45 0.13 0.00 -2.01 0.00 0.00 57.72 53.21 3kpr n HIS 24 Cb 0.53 0.78 0.52 0.00 0.12 0.00 0.00 29.99 31.94 3kpr n HIS 24 CO 0.00 0.00 0.00 -1.13 -2.81 0.00 0.00 176.34 172.40 3kpr n SER 25 N 2.29 0.31 -1.25 4.39 3.41 -1.19 -3.11 113.62 118.47 3kpr n SER 25 Ca 0.20 0.53 0.09 0.00 -0.26 0.00 0.00 58.87 59.44 3kpr n SER 25 Cb 0.55 -0.62 0.30 0.00 -0.26 0.00 0.00 64.21 64.18 3kpr n SER 25 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 3kpr n THR 26 N -1.80 1.35 -1.70 6.66 -2.24 -1.26 -4.95 114.28 110.33 3kpr n THR 26 Ca 0.06 -1.12 -0.43 0.00 -2.27 0.00 0.00 64.05 60.29 3kpr n THR 26 Cb 0.35 0.33 -0.03 0.00 -2.10 0.00 0.00 70.33 68.89 3kpr n THR 26 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3kpr n ILE 27 N 1.11 0.37 -2.29 2.28 3.06 -1.18 -4.97 119.36 117.75 3kpr n ILE 27 Ca 0.22 -0.09 -0.34 0.00 -2.50 0.00 0.00 62.75 60.04 3kpr n ILE 27 Cb 0.69 -1.79 -0.01 0.00 0.54 0.00 0.00 39.64 39.07 3kpr n ILE 27 CO 0.00 0.00 0.00 -0.44 -2.50 0.00 0.00 176.55 173.61 3kpr s SER 28 N 0.82 5.95 0.09 9.51 0.01 -1.26 -4.91 113.70 123.91 3kpr s SER 28 Ca 0.72 1.97 0.06 0.00 1.31 0.00 0.00 55.95 60.01 3kpr s SER 28 Cb -0.57 -2.56 0.30 0.00 0.21 0.00 0.00 66.02 63.40 3kpr s SER 28 CO 0.40 -1.06 1.11 0.61 0.41 0.00 0.00 173.24 174.71 3kpr n GLY 29 N -0.34 -0.53 0.00 3.44 0.00 -1.26 -1.71 105.19 104.78 3kpr n GLY 29 Ca 0.10 0.05 0.00 0.00 0.00 0.00 0.00 46.02 46.17 3kpr n GLY 29 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3kpr n THR 30 N -1.65 0.48 -2.36 2.61 -2.24 -1.26 -5.04 114.28 104.82 3kpr n THR 30 Ca -0.00 -0.74 -0.40 0.00 -2.27 0.00 0.00 64.05 60.64 3kpr n THR 30 Cb 0.09 0.76 -0.03 0.00 -2.10 0.00 0.00 70.33 69.04 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 -0.48 6.96 0.09 3.42 1.01 -0.69 -5.05 116.67 121.93 3kpr s ASP 30 Ca 0.00 2.37 -0.12 0.00 0.71 0.00 0.00 52.55 55.50 3kpr s ASP 30 Cb 0.00 -2.63 -0.06 0.00 1.01 0.00 0.00 42.92 41.24 3kpr s ASP 30 CO 0.00 -0.37 0.46 -0.31 0.21 0.00 0.00 175.17 175.16 3kpr s TYR 31 N -1.24 3.62 -0.22 4.23 1.51 -1.26 -4.77 117.35 119.22 3kpr s TYR 31 Ca 0.49 0.93 -0.15 0.00 -1.01 0.00 0.00 57.07 57.33 3kpr s TYR 31 Cb -0.33 -2.26 -0.04 0.00 -0.11 0.00 0.00 41.96 39.22 3kpr s TYR 31 CO 0.42 0.51 0.36 0.42 -1.11 0.00 0.00 175.55 176.15 3kpr s ILE 32 N -1.37 5.22 0.06 2.71 -1.09 0.63 -4.26 121.20 123.10 3kpr s ILE 32 Ca 0.33 0.61 0.09 0.00 -2.23 0.00 0.00 60.65 59.45 3kpr s ILE 32 Cb -0.15 -3.69 -0.03 0.00 -1.58 0.00 0.00 42.46 37.01 3kpr s ILE 32 CO 0.18 0.25 -0.25 -1.00 -1.23 0.00 0.00 174.94 172.89 3kpr s HIS 33 N 1.41 2.37 -0.08 3.97 3.76 0.51 -1.01 115.29 126.22 3kpr s HIS 33 Ca 0.17 -0.38 0.03 0.00 -0.15 0.00 0.00 55.06 54.73 3kpr s HIS 33 Cb -0.15 -1.38 0.01 0.00 1.11 0.00 0.00 32.58 32.17 3kpr s HIS 33 CO 0.08 0.19 -0.18 -1.58 -0.85 0.00 0.00 174.74 172.40 3kpr s TRP 34 N -0.88 1.99 0.31 1.40 0.52 -0.02 -0.28 118.94 121.99 3kpr s TRP 34 Ca 0.13 -0.76 0.09 0.00 0.02 0.00 0.00 56.10 55.58 3kpr s TRP 34 Cb -0.10 -1.37 -0.06 0.00 -1.15 0.00 0.00 33.47 30.79 3kpr s TRP 34 CO 0.03 -0.33 -0.11 0.71 0.02 0.00 0.00 176.95 177.28 3kpr s TYR 35 N 0.44 2.25 0.03 -1.98 1.51 -0.73 -1.61 117.35 117.25 3kpr s TYR 35 Ca -0.15 -0.51 -0.04 0.00 -1.01 0.00 0.00 57.07 55.35 3kpr s TYR 35 Cb -0.16 -1.22 -0.01 0.00 -0.11 0.00 0.00 41.96 40.45 3kpr s TYR 35 CO 0.06 0.53 0.06 -0.98 -1.11 0.00 0.00 175.55 174.11 3kpr s ARG 36 N -3.62 0.53 -0.21 -0.62 1.70 0.02 -0.33 118.95 116.43 3kpr s ARG 36 Ca 0.31 -0.75 -0.01 0.00 -0.47 0.00 0.00 55.73 54.81 3kpr s ARG 36 Cb 0.01 0.20 0.06 0.00 -0.57 0.00 0.00 34.95 34.65 3kpr s ARG 36 CO 0.15 -0.12 -0.00 -1.14 -1.08 0.00 0.00 175.30 173.10 3kpr s GLN 37 N -2.43 1.08 0.54 3.89 0.74 0.01 0.09 119.66 123.57 3kpr s GLN 37 Ca -0.07 -0.66 -0.19 0.00 0.05 0.00 0.00 55.36 54.50 3kpr s GLN 37 Cb -0.02 -2.30 -0.06 0.00 1.10 0.00 0.00 33.01 31.73 3kpr s GLN 37 CO -0.04 -0.61 1.08 -0.51 -0.55 0.00 0.00 175.29 174.66 3kpr s LEU 38 N 1.66 3.72 0.17 3.68 1.02 -1.26 -1.95 118.68 125.72 3kpr s LEU 38 Ca -0.03 2.02 -0.33 0.00 0.02 0.00 0.00 54.13 55.81 3kpr s LEU 38 Cb -0.18 -4.56 -0.15 0.00 0.02 0.00 0.00 46.19 41.32 3kpr s LEU 38 CO -0.07 -1.08 1.32 -2.65 0.02 0.00 0.00 176.35 173.89 3kpr n PRO 39 N -1.36 1.53 -2.24 1.29 -0.02 -1.26 -2.06 135.00 130.88 3kpr n PRO 39 Ca 0.10 0.55 -0.20 0.00 -2.02 0.00 0.00 63.50 61.93 3kpr n PRO 39 Cb 0.52 -2.15 -0.02 0.00 -0.02 0.00 0.00 33.50 31.82 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 2.34 -5.64 -4.20 2.55 2.88 -1.26 -4.98 113.62 105.31 3kpr n SER 40 Ca 0.15 0.10 -0.14 0.00 -1.33 0.00 0.00 58.87 57.65 3kpr n SER 40 Cb 0.26 -4.76 -0.10 0.00 -0.75 0.00 0.00 64.21 58.86 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 -4.77 0.92 0.59 -1.46 -0.21 -0.87 -5.14 119.66 108.71 3kpr s GLN 41 Ca 0.00 -1.27 -0.18 0.00 0.02 0.00 0.00 55.36 53.93 3kpr s GLN 41 Cb 0.00 -0.55 -0.03 0.00 1.00 0.00 0.00 33.01 33.42 3kpr s GLN 41 CO 0.00 0.08 1.18 0.20 -2.12 0.00 0.00 175.29 174.63 3kpr s GLY 42 N -2.73 2.65 0.96 3.09 0.00 -1.26 -4.60 107.32 105.43 3kpr s GLY 42 Ca 0.10 0.92 -0.11 0.00 0.00 0.00 0.00 44.72 45.63 3kpr s GLY 42 CO -0.00 1.30 0.83 -1.05 0.00 0.00 0.00 173.10 174.19 3kpr n PRO 43 N -1.64 -0.59 -3.77 2.90 -0.02 -1.26 -4.63 135.00 125.99 3kpr n PRO 43 Ca 0.13 -0.12 -0.13 0.00 -2.02 0.00 0.00 63.50 61.36 3kpr n PRO 43 Cb 0.50 -2.15 -0.11 0.00 -0.02 0.00 0.00 33.50 31.71 3kpr n PRO 43 CO 0.00 0.00 0.00 -1.83 1.98 0.00 0.00 175.50 175.65 3kpr s GLU 44 N -4.22 0.32 0.35 -0.52 -1.05 0.11 -4.97 118.70 108.72 3kpr s GLU 44 Ca 0.63 0.42 -0.29 0.00 -0.15 0.00 0.00 54.97 55.58 3kpr s GLU 44 Cb -0.22 0.12 -0.11 0.00 -0.44 0.00 0.00 34.13 33.48 3kpr s GLU 44 CO 0.62 -0.06 1.47 -0.47 0.95 0.00 0.00 175.26 177.78 3kpr s TYR 45 N 0.32 2.70 -0.03 4.83 5.04 -1.26 -0.80 117.35 128.14 3kpr s TYR 45 Ca -0.01 1.14 -0.06 0.00 -2.44 0.00 0.00 57.07 55.70 3kpr s TYR 45 Cb -0.03 -3.97 -0.03 0.00 0.35 0.00 0.00 41.96 38.28 3kpr s TYR 45 CO -0.01 -2.90 -0.13 0.28 -1.34 0.00 0.00 175.55 171.45 3kpr n VAL 46 N 0.85 1.07 -3.61 3.14 0.31 -0.64 -4.88 118.33 114.57 3kpr n VAL 46 Ca 0.02 0.16 -0.10 0.00 -0.01 0.00 0.00 64.34 64.42 3kpr n VAL 46 Cb 0.39 -1.78 -0.02 0.00 -0.91 0.00 0.00 33.84 31.52 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 -2.28 0.00 0.02 2.52 2.07 -1.17 -5.03 121.20 117.34 3kpr s ILE 47 Ca -0.12 -0.41 -0.22 0.00 -1.41 0.00 0.00 60.65 58.49 3kpr s ILE 47 Cb 0.03 -1.42 0.05 0.00 0.13 0.00 0.00 42.46 41.24 3kpr s ILE 47 CO 0.16 0.00 0.50 -1.38 -1.91 0.00 0.00 174.94 172.31 3kpr s HIS 48 N -3.78 -0.41 0.31 3.50 -3.43 -1.26 -0.84 115.29 109.39 3kpr s HIS 48 Ca 0.05 0.53 -0.16 0.00 -0.80 0.00 0.00 55.06 54.69 3kpr s HIS 48 Cb -0.03 0.30 0.06 0.00 -1.43 0.00 0.00 32.58 31.48 3kpr s HIS 48 CO -0.05 -0.59 0.82 0.41 -2.00 0.00 0.00 174.74 173.34 3kpr n GLY 49 N 0.66 0.91 1.50 -1.38 0.00 -0.18 -4.93 105.19 101.76 3kpr n GLY 49 Ca -0.19 -1.21 0.00 0.00 0.00 0.00 0.00 46.02 44.62 3kpr n GLY 49 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 3kpr n LEU 50 N 0.00 0.09 -0.03 0.99 0.00 -1.26 -0.27 117.00 116.53 3kpr n LEU 50 Ca -0.06 0.06 -0.07 0.00 0.00 0.00 0.00 56.01 55.94 3kpr n LEU 50 Cb 0.56 0.01 -0.02 0.00 0.00 0.00 0.00 43.42 43.96 3kpr n LEU 50 CO 0.24 -0.55 -0.51 0.35 0.00 0.00 0.00 177.39 176.92 3kpr n THR 51 N -2.69 1.11 -3.10 1.96 -2.24 -1.26 -4.83 114.28 103.23 3kpr n THR 51 Ca 0.00 0.13 -0.25 0.00 -2.27 0.00 0.00 64.05 61.66 3kpr n THR 51 Cb 0.00 -1.83 -0.01 0.00 -2.10 0.00 0.00 70.33 66.39 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 -6.00 6.26 0.27 3.42 1.04 -1.26 -4.62 113.70 112.81 3kpr s SER 52 Ca -0.14 0.61 -0.29 0.00 0.48 0.00 0.00 55.95 56.61 3kpr s SER 52 Cb 0.03 -2.09 -0.10 0.00 0.10 0.00 0.00 66.02 63.97 3kpr s SER 52 CO 0.19 -0.41 1.30 0.20 0.98 0.00 0.00 173.24 175.50 3kpr s ASN 54 N -4.07 6.86 0.00 7.02 0.01 -1.26 -4.84 114.94 118.66 3kpr s ASN 54 Ca 0.43 2.54 0.03 0.00 -0.71 0.00 0.00 52.86 55.15 3kpr s ASN 54 Cb -0.10 -2.63 -0.03 0.00 0.41 0.00 0.00 41.25 38.90 3kpr s ASN 54 CO 0.39 -0.50 -0.08 -0.69 -1.51 0.00 0.00 177.10 174.71 3kpr s VAL 55 N -0.58 3.58 -0.04 1.60 1.01 -0.98 -4.98 120.40 120.01 3kpr s VAL 55 Ca 0.52 -0.80 0.06 0.00 0.00 0.00 0.00 61.98 61.76 3kpr s VAL 55 Cb -0.38 -2.55 -0.01 0.00 0.00 0.00 0.00 36.38 33.44 3kpr s VAL 55 CO 0.45 0.39 -0.22 0.20 0.00 0.00 0.00 175.10 175.93 3kpr s ASN 56 N -1.40 2.69 0.35 3.32 0.01 -1.26 -1.80 114.94 116.85 3kpr s ASN 56 Ca 0.17 -0.43 0.04 0.00 -0.71 0.00 0.00 52.86 51.92 3kpr s ASN 56 Cb -0.11 -0.56 -0.05 0.00 0.41 0.00 0.00 41.25 40.94 3kpr s ASN 56 CO 0.07 0.24 0.08 0.20 -1.51 0.00 0.00 177.10 176.18 3kpr s ASN 57 N -0.26 2.50 0.00 -1.22 0.01 -0.17 -5.01 114.94 110.79 3kpr s ASN 57 Ca 0.01 -1.47 0.31 0.00 -0.71 0.00 0.00 52.86 51.00 3kpr s ASN 57 Cb -0.11 0.11 1.67 0.00 0.41 0.00 0.00 41.25 43.33 3kpr s ASN 57 CO 0.01 -0.71 2.11 -2.11 -1.51 0.00 0.00 177.10 174.89 3kpr n ARG 58 N -0.76 0.90 0.00 -0.60 1.85 -1.26 -3.94 116.66 112.85 3kpr n ARG 58 Ca -0.04 -0.11 0.00 0.00 -1.00 0.00 0.00 57.85 56.70 3kpr n ARG 58 Cb 0.66 -1.50 0.00 0.00 -1.05 0.00 0.00 32.46 30.57 3kpr n ARG 58 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 3kpr n MET 61 N -0.95 0.50 -4.32 2.89 0.00 -1.26 -4.93 117.12 109.06 3kpr n MET 61 Ca 0.20 0.00 -0.18 0.00 0.00 0.00 0.00 57.70 57.72 3kpr n MET 61 Cb 0.18 -0.96 -0.14 0.00 0.00 0.00 0.00 33.22 32.30 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 -1.91 0.83 0.11 3.17 0.00 -1.25 -1.63 121.76 121.08 3kpr s ALA 62 Ca 0.00 -0.55 0.07 0.00 0.00 0.00 0.00 51.96 51.48 3kpr s ALA 62 Cb 0.00 -0.15 -0.04 0.00 0.00 0.00 0.00 23.12 22.93 3kpr s ALA 62 CO 0.00 0.16 -0.18 -1.12 0.00 0.00 0.00 175.76 174.62 3kpr s SER 63 N -0.64 2.32 -0.13 0.00 0.01 0.12 -1.00 113.70 114.38 3kpr s SER 63 Ca 0.01 -0.74 0.01 0.00 1.31 0.00 0.00 55.95 56.55 3kpr s SER 63 Cb -0.05 -0.11 -0.01 0.00 0.21 0.00 0.00 66.02 66.05 3kpr s SER 63 CO 0.00 -0.02 -0.17 -0.22 0.41 0.00 0.00 173.24 173.24 3kpr s LEU 64 N -2.15 2.46 -0.17 2.44 2.96 -0.74 -0.29 118.68 123.19 3kpr s LEU 64 Ca 0.07 -0.44 0.01 0.00 -0.22 0.00 0.00 54.13 53.56 3kpr s LEU 64 Cb -0.08 -1.54 0.02 0.00 0.50 0.00 0.00 46.19 45.09 3kpr s LEU 64 CO 0.04 0.14 -0.20 0.00 -1.32 0.00 0.00 176.35 175.02 3kpr s ALA 65 N 0.49 2.26 -0.11 5.97 0.00 -0.47 -2.31 121.76 127.59 3kpr s ALA 65 Ca -0.12 -1.17 -0.01 0.00 0.00 0.00 0.00 51.96 50.67 3kpr s ALA 65 Cb -0.16 -1.14 -0.02 0.00 0.00 0.00 0.00 23.12 21.79 3kpr s ALA 65 CO 0.05 -0.32 -0.08 0.42 0.00 0.00 0.00 175.76 175.83 3kpr s ILE 66 N 1.26 3.54 0.84 0.00 1.01 -1.26 -0.38 121.20 126.20 3kpr s ILE 66 Ca 0.04 -0.51 -0.11 0.00 0.00 0.00 0.00 60.65 60.06 3kpr s ILE 66 Cb -0.13 -2.49 0.10 0.00 0.01 0.00 0.00 42.46 39.95 3kpr s ILE 66 CO -0.12 0.54 1.15 0.00 0.00 0.00 0.00 174.94 176.52 3kpr s ALA 67 N -0.10 1.81 0.12 9.38 0.00 -0.83 -4.89 121.76 127.25 3kpr s ALA 67 Ca 0.00 0.60 -0.20 0.00 0.00 0.00 0.00 51.96 52.36 3kpr s ALA 67 Cb -0.13 -3.42 -0.05 0.00 0.00 0.00 0.00 23.12 19.52 3kpr s ALA 67 CO 0.03 -2.32 1.73 1.49 0.00 0.00 0.00 175.76 176.69 3kpr h GLU 68 N -1.30 0.07 0.00 0.00 4.57 -1.94 -1.75 114.58 114.23 3kpr h GLU 68 Ca -0.44 -0.00 0.00 0.00 -1.18 0.00 0.00 59.36 57.73 3kpr h GLU 68 Cb 1.27 -0.02 0.00 0.00 -0.16 0.00 0.00 28.75 29.84 3kpr h GLU 68 CO 0.46 0.04 0.00 -0.40 -1.18 0.00 0.00 179.01 177.93 3kpr n ASP 69 N -5.12 0.00 0.00 1.04 5.68 -1.26 -4.90 116.55 111.99 3kpr n ASP 69 Ca -0.03 -0.15 0.00 0.00 -0.50 0.00 0.00 54.79 54.11 3kpr n ASP 69 Cb 0.09 -0.27 0.00 0.00 -1.14 0.00 0.00 41.12 39.81 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 -1.27 -0.96 0.12 0.11 1.74 -0.66 -4.87 116.66 110.87 3kpr n ARG 70 Ca 0.13 0.24 0.13 0.00 -0.77 0.00 0.00 57.85 57.58 3kpr n ARG 70 Cb 0.21 -4.07 0.43 0.00 -1.02 0.00 0.00 32.46 28.01 3kpr n ARG 70 CO 0.00 0.00 0.00 0.87 -1.52 0.00 0.00 177.63 176.98 3kpr h LYS 71 N 0.56 0.00 -3.85 5.56 1.57 -1.83 -3.46 116.57 115.13 3kpr h LYS 71 Ca 0.00 0.00 -0.10 0.00 -1.87 0.00 0.00 60.65 58.68 3kpr h LYS 71 Cb 0.48 0.00 -0.13 0.00 0.08 0.00 0.00 32.23 32.66 3kpr h LYS 71 CO 0.00 0.00 -0.33 -1.54 -0.57 0.00 0.00 179.45 177.01 3kpr s SER 72 N -4.51 0.06 0.33 0.86 1.04 -1.26 -0.47 113.70 109.75 3kpr s SER 72 Ca 0.08 -0.79 -0.04 0.00 0.48 0.00 0.00 55.95 55.69 3kpr s SER 72 Cb 0.11 0.41 0.00 0.00 0.10 0.00 0.00 66.02 66.64 3kpr s SER 72 CO 0.53 -0.84 0.46 -0.94 0.98 0.00 0.00 173.24 173.43 3kpr s SER 73 N -2.93 0.78 -0.04 7.02 1.04 -0.55 -1.97 113.70 117.06 3kpr s SER 73 Ca 0.13 -1.43 -0.02 0.00 0.48 0.00 0.00 55.95 55.12 3kpr s SER 73 Cb 0.04 0.65 0.03 0.00 0.10 0.00 0.00 66.02 66.84 3kpr s SER 73 CO -0.04 -1.27 0.09 -0.89 0.98 0.00 0.00 173.24 172.11 3kpr s THR 74 N -3.18 -0.05 -0.37 2.02 2.01 0.49 -1.67 115.64 114.89 3kpr s THR 74 Ca 0.30 0.17 -0.20 0.00 0.31 0.00 0.00 61.69 62.27 3kpr s THR 74 Cb -0.00 -0.16 0.01 0.00 0.01 0.00 0.00 72.50 72.35 3kpr s THR 74 CO 0.19 0.07 0.61 -0.22 -0.69 0.00 0.00 174.62 174.58 3kpr s LEU 75 N 0.96 4.32 -0.34 4.42 2.96 0.65 -1.37 118.68 130.29 3kpr s LEU 75 Ca -0.08 0.02 -0.11 0.00 -0.22 0.00 0.00 54.13 53.75 3kpr s LEU 75 Cb -0.10 -2.73 0.00 0.00 0.50 0.00 0.00 46.19 43.85 3kpr s LEU 75 CO -0.04 -0.61 0.19 -0.63 -1.32 0.00 0.00 176.35 173.94 3kpr s ILE 76 N 2.67 4.72 -0.12 6.68 1.01 0.61 -0.32 121.20 136.45 3kpr s ILE 76 Ca 0.23 -0.53 -0.18 0.00 0.00 0.00 0.00 60.65 60.17 3kpr s ILE 76 Cb -0.15 -3.48 -0.04 0.00 0.01 0.00 0.00 42.46 38.80 3kpr s ILE 76 CO 0.15 -0.05 0.48 -0.76 0.00 0.00 0.00 174.94 174.77 3kpr s LEU 77 N 1.61 4.27 -0.11 2.97 1.43 -0.07 0.12 118.68 128.90 3kpr s LEU 77 Ca 0.04 0.82 -0.14 0.00 -1.03 0.00 0.00 54.13 53.82 3kpr s LEU 77 Cb -0.18 -2.70 -0.12 0.00 0.03 0.00 0.00 46.19 43.22 3kpr s LEU 77 CO 0.07 -0.01 0.40 0.45 0.23 0.00 0.00 176.35 177.49 3kpr h HIS 78 N 6.75 -0.02 -3.09 0.29 3.86 -1.60 -0.12 115.15 121.22 3kpr h HIS 78 Ca -0.41 -0.00 -0.62 0.00 -1.16 0.00 0.00 60.37 58.18 3kpr h HIS 78 Cb 1.18 0.01 -0.41 0.00 1.06 0.00 0.00 27.41 29.25 3kpr h HIS 78 CO 0.62 0.44 -0.66 0.50 0.86 0.00 0.00 177.93 179.70 3kpr s ARG 79 N -1.98 1.93 0.08 2.45 3.52 -1.26 -3.06 118.95 120.63 3kpr s ARG 79 Ca -0.09 -2.74 -0.31 0.00 -0.13 0.00 0.00 55.73 52.46 3kpr s ARG 79 Cb -0.01 -2.99 -0.07 0.00 -1.56 0.00 0.00 34.95 30.32 3kpr s ARG 79 CO 0.33 -1.22 1.35 0.00 -0.81 0.00 0.00 175.30 174.95 3kpr s ALA 80 N -0.59 3.54 0.42 6.12 0.00 -1.16 -4.78 121.76 125.31 3kpr s ALA 80 Ca 0.22 1.02 0.07 0.00 0.00 0.00 0.00 51.96 53.27 3kpr s ALA 80 Cb -0.14 -3.53 -0.03 0.00 0.00 0.00 0.00 23.12 19.42 3kpr s ALA 80 CO -0.08 -0.63 0.31 0.95 0.00 0.00 0.00 175.76 176.31 3kpr s THR 81 N 1.32 2.48 0.34 0.00 -4.23 -1.26 0.17 115.64 114.47 3kpr s THR 81 Ca 0.63 -1.47 0.03 0.00 -1.18 0.00 0.00 61.69 59.70 3kpr s THR 81 Cb -0.34 -2.95 0.22 0.00 1.34 0.00 0.00 72.50 70.76 3kpr s THR 81 CO 0.29 0.00 1.95 -0.07 -0.54 0.00 0.00 174.62 176.26 3kpr h LEU 82 N 1.15 0.63 -2.26 4.79 3.38 -1.94 -1.47 115.31 119.58 3kpr h LEU 82 Ca -0.42 -0.06 0.04 0.00 0.09 0.00 0.00 57.88 57.54 3kpr h LEU 82 Cb 1.26 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 41.85 3kpr h LEU 82 CO 0.62 0.55 0.14 0.03 0.09 0.00 0.00 178.44 179.86 3kpr h ARG 83 N 0.71 0.00 0.00 1.13 3.08 -1.96 -2.21 114.38 115.12 3kpr h ARG 83 Ca 0.18 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.23 3kpr h ARG 83 Cb 0.08 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.13 3kpr h ARG 83 CO -0.02 0.00 0.00 -0.25 -1.07 0.00 0.00 179.97 178.63 3kpr n ASP 84 N -3.89 0.00 -4.62 7.04 10.43 -0.55 -4.78 116.55 120.18 3kpr n ASP 84 Ca 0.00 0.31 -0.43 0.00 2.57 0.00 0.00 54.79 57.25 3kpr n ASP 84 Cb 0.25 -0.43 -0.03 0.00 1.84 0.00 0.00 41.12 42.76 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 -2.86 2.99 0.31 2.24 0.00 -0.84 -4.87 121.76 118.73 3kpr s ALA 85 Ca 0.15 0.84 -0.18 0.00 0.00 0.00 0.00 51.96 52.77 3kpr s ALA 85 Cb 0.15 -4.00 0.07 0.00 0.00 0.00 0.00 23.12 19.34 3kpr s ALA 85 CO 0.40 -2.42 0.89 0.00 0.00 0.00 0.00 175.76 174.63 3kpr s ALA 86 N 7.02 -1.06 -0.15 0.00 0.00 -1.25 -4.47 121.76 121.86 3kpr s ALA 86 Ca 0.93 -0.63 -0.09 0.00 0.00 0.00 0.00 51.96 52.18 3kpr s ALA 86 Cb -0.34 0.71 -0.05 0.00 0.00 0.00 0.00 23.12 23.44 3kpr s ALA 86 CO 0.36 -1.02 0.17 0.08 0.00 0.00 0.00 175.76 175.35 3kpr s VAL 87 N -2.14 5.42 -0.17 0.00 1.01 -0.82 0.43 120.40 124.13 3kpr s VAL 87 Ca 0.19 0.28 0.01 0.00 0.00 0.00 0.00 61.98 62.46 3kpr s VAL 87 Cb -0.04 -3.47 0.01 0.00 0.00 0.00 0.00 36.38 32.88 3kpr s VAL 87 CO 0.09 0.53 -0.18 -0.31 0.00 0.00 0.00 175.10 175.23 3kpr s TYR 88 N -0.37 2.76 -0.14 5.22 2.02 0.39 -0.81 117.35 126.42 3kpr s TYR 88 Ca 0.13 -1.35 -0.03 0.00 -0.37 0.00 0.00 57.07 55.45 3kpr s TYR 88 Cb -0.12 -1.90 -0.03 0.00 -0.40 0.00 0.00 41.96 39.51 3kpr s TYR 88 CO 0.02 -0.65 -0.03 0.71 -1.57 0.00 0.00 175.55 174.03 3kpr s TYR 89 N 1.05 3.04 -0.32 2.71 1.51 0.55 -2.02 117.35 123.87 3kpr s TYR 89 Ca -0.01 -0.19 -0.08 0.00 -1.01 0.00 0.00 57.07 55.78 3kpr s TYR 89 Cb -0.14 -1.92 0.02 0.00 -0.11 0.00 0.00 41.96 39.81 3kpr s TYR 89 CO -0.06 0.07 0.12 0.00 -1.11 0.00 0.00 175.55 174.58 3kpr s ILE 91 N 1.50 1.63 -0.83 0.00 1.01 0.62 -4.65 121.20 120.48 3kpr s ILE 91 Ca 0.02 -1.01 -0.02 0.00 0.00 0.00 0.00 60.65 59.64 3kpr s ILE 91 Cb -0.18 -1.38 0.21 0.00 0.01 0.00 0.00 42.46 41.11 3kpr s ILE 91 CO 0.04 0.34 0.70 -0.76 0.00 0.00 0.00 174.94 175.26 3kpr s LEU 92 N -0.78 5.47 0.36 2.97 1.02 -1.26 -0.36 118.68 126.10 3kpr s LEU 92 Ca 0.08 -3.55 0.07 0.00 0.02 0.00 0.00 54.13 50.75 3kpr s LEU 92 Cb -0.08 -1.89 0.76 0.00 0.02 0.00 0.00 46.19 45.00 3kpr s LEU 92 CO 0.00 -0.22 1.95 -0.65 0.02 0.00 0.00 176.35 177.45 3kpr h PRO 93 N 6.20 0.72 0.00 1.29 0.11 -1.90 0.36 132.00 138.78 3kpr h PRO 93 Ca 0.12 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 66.19 3kpr h PRO 93 Cb 0.84 -0.16 0.00 0.00 0.11 0.00 0.00 31.00 31.79 3kpr h PRO 93 CO 0.82 0.47 0.00 -0.07 -0.21 0.00 0.00 178.00 179.01 3kpr h LEU 94 N 0.74 0.00 -0.89 2.35 3.38 -1.88 -3.36 115.31 115.65 3kpr h LEU 94 Ca 0.33 0.00 -0.51 0.00 0.09 0.00 0.00 57.88 57.79 3kpr h LEU 94 Cb 0.34 0.00 -0.14 0.00 0.09 0.00 0.00 40.66 40.95 3kpr h LEU 94 CO -0.12 0.00 -0.78 0.00 0.09 0.00 0.00 178.44 177.63 3kpr n ALA 95 N -1.89 -1.24 -1.18 1.53 0.00 0.11 -0.87 120.51 116.97 3kpr n ALA 95 Ca 0.03 0.08 0.00 0.00 0.00 0.00 0.00 53.44 53.55 3kpr n ALA 95 Cb 0.34 -3.80 0.00 0.00 0.00 0.00 0.00 19.45 15.99 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 -1.47 0.38 0.77 0.00 0.00 -1.26 -3.96 105.19 99.65 3kpr n GLY 96 Ca 0.06 -1.06 0.00 0.00 0.00 0.00 0.00 46.02 45.03 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 -2.62 1.01 0.00 -0.02 0.00 -0.22 -4.95 105.19 98.39 3kpr n GLY 97 Ca 0.00 -0.35 0.00 0.00 0.00 0.00 0.00 46.02 45.67 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 -1.39 0.00 -3.86 2.61 -2.24 -0.05 -5.11 114.28 104.24 3kpr n THR 98 Ca 0.00 -0.20 -0.09 0.00 -2.27 0.00 0.00 64.05 61.49 3kpr n THR 98 Cb 0.25 1.54 -0.07 0.00 -2.10 0.00 0.00 70.33 69.94 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 -0.04 0.11 0.00 3.42 0.15 -0.95 -5.00 113.70 111.39 3kpr s SER 99 Ca 0.00 -0.62 0.17 0.00 0.70 0.00 0.00 55.95 56.19 3kpr s SER 99 Cb 0.00 0.33 0.10 0.00 -1.71 0.00 0.00 66.02 64.75 3kpr s SER 99 CO 0.00 -0.71 0.99 0.00 1.20 0.00 0.00 173.24 174.72 3kpr n TYR 100 N 0.02 0.00 0.00 3.44 0.18 -1.26 -4.32 117.16 115.22 3kpr n TYR 100 Ca -0.15 0.00 0.00 0.00 1.88 0.00 0.00 57.90 59.63 3kpr n TYR 100 Cb 0.62 0.00 0.00 0.00 -0.38 0.00 0.00 39.34 39.58 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 0.98 1.44 3.61 -7.48 0.00 -1.26 -5.02 105.19 97.46 3kpr n GLY 102 Ca 0.09 0.00 -0.49 0.00 0.00 0.00 0.00 46.02 45.62 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 1.45 -3.42 1.61 4.81 -1.26 -4.93 118.16 116.42 3kpr n LYS 103 Ca 0.00 0.52 -0.37 0.00 -0.87 0.00 0.00 58.31 57.59 3kpr n LYS 103 Cb 0.00 -2.14 -0.06 0.00 0.02 0.00 0.00 35.03 32.84 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 0.56 4.30 -0.31 3.14 1.43 -1.26 -4.88 118.68 121.66 3kpr s LEU 104 Ca 0.78 0.74 -0.03 0.00 -1.03 0.00 0.00 54.13 54.59 3kpr s LEU 104 Cb -0.83 -2.57 0.05 0.00 0.03 0.00 0.00 46.19 42.86 3kpr s LEU 104 CO 0.47 0.08 0.03 -0.89 0.23 0.00 0.00 176.35 176.27 3kpr s THR 105 N 0.30 3.15 0.03 5.49 2.01 -1.26 -5.07 115.64 120.29 3kpr s THR 105 Ca 0.23 -1.37 -0.29 0.00 0.31 0.00 0.00 61.69 60.57 3kpr s THR 105 Cb -0.15 -2.82 -0.16 0.00 0.01 0.00 0.00 72.50 69.38 3kpr s THR 105 CO 0.09 -0.15 1.28 -0.26 -0.69 0.00 0.00 174.62 174.88 3kpr h PHE 106 N 8.04 -0.96 0.00 4.92 -1.00 -1.96 -3.45 116.94 122.53 3kpr h PHE 106 Ca -0.21 -0.02 0.00 0.00 2.81 0.00 0.00 57.97 60.55 3kpr h PHE 106 Cb 1.06 0.32 0.00 0.00 3.61 0.00 0.00 35.95 40.94 3kpr h PHE 106 CO 0.61 -0.60 -0.99 0.41 -1.61 0.00 0.00 178.31 176.13 3kpr n GLY 107 N -1.08 0.00 3.07 -1.45 0.00 -1.26 -3.90 105.19 100.56 3kpr n GLY 107 Ca -0.13 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.57 3kpr n GLY 107 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3kpr s GLN 108 N -1.99 2.18 0.02 1.61 -1.52 -1.26 -5.11 119.66 113.58 3kpr s GLN 108 Ca 0.00 -1.39 0.00 0.00 -1.95 0.00 0.00 55.36 52.02 3kpr s GLN 108 Cb 0.00 -2.92 0.00 0.00 -0.22 0.00 0.00 33.01 29.87 3kpr s GLN 108 CO 0.00 -0.60 0.01 0.41 -0.25 0.00 0.00 175.29 174.85 3kpr n GLY 109 N 4.42 3.69 3.44 3.09 0.00 -1.26 -4.52 105.19 114.05 3kpr n GLY 109 Ca -0.12 -2.20 -0.38 0.00 0.00 0.00 0.00 46.02 43.32 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 -0.66 4.52 -0.17 2.61 2.01 -0.85 -4.63 115.64 118.47 3kpr s THR 110 Ca 0.01 -0.40 -0.29 0.00 0.31 0.00 0.00 61.69 61.32 3kpr s THR 110 Cb -0.00 -3.28 -0.04 0.00 0.01 0.00 0.00 72.50 69.19 3kpr s THR 110 CO 0.00 0.11 1.73 -0.63 -0.69 0.00 0.00 174.62 175.15 3kpr s ILE 111 N 1.61 3.52 0.18 1.82 1.01 -1.24 -0.46 121.20 127.63 3kpr s ILE 111 Ca 0.05 0.59 -0.30 0.00 0.00 0.00 0.00 60.65 60.99 3kpr s ILE 111 Cb -0.17 -3.51 -0.08 0.00 0.01 0.00 0.00 42.46 38.71 3kpr s ILE 111 CO 0.06 -0.19 1.19 -0.22 0.00 0.00 0.00 174.94 175.78 3kpr s LEU 112 N 5.33 4.45 -0.10 2.97 2.96 1.47 -2.53 118.68 133.23 3kpr s LEU 112 Ca 0.77 2.22 0.03 0.00 -0.22 0.00 0.00 54.13 56.93 3kpr s LEU 112 Cb -0.29 -3.61 0.01 0.00 0.50 0.00 0.00 46.19 42.80 3kpr s LEU 112 CO 0.31 -0.37 -0.20 -0.89 -1.32 0.00 0.00 176.35 173.88 3kpr s THR 113 N -0.02 1.81 -0.24 3.68 2.01 0.10 -3.83 115.64 119.15 3kpr s THR 113 Ca 0.53 -0.86 -0.07 0.00 0.31 0.00 0.00 61.69 61.60 3kpr s THR 113 Cb -0.32 -1.59 -0.03 0.00 0.01 0.00 0.00 72.50 70.56 3kpr s THR 113 CO 0.36 0.50 0.06 -0.69 -0.69 0.00 0.00 174.62 174.16 3kpr s VAL 114 N 0.57 4.28 -0.07 3.82 1.01 -1.26 -1.85 120.40 126.90 3kpr s VAL 114 Ca -0.15 -0.19 -0.11 0.00 0.00 0.00 0.00 61.98 61.53 3kpr s VAL 114 Cb -0.17 -2.98 -0.05 0.00 0.00 0.00 0.00 36.38 33.18 3kpr s VAL 114 CO 0.05 0.36 0.28 -1.00 0.00 0.00 0.00 175.10 174.80 3kpr s HIS 115 N 1.41 3.65 0.47 5.22 3.76 -0.19 -4.85 115.29 124.76 3kpr s HIS 115 Ca 0.05 0.76 -0.22 0.00 -0.15 0.00 0.00 55.06 55.50 3kpr s HIS 115 Cb -0.15 -2.15 -0.07 0.00 1.11 0.00 0.00 32.58 31.32 3kpr s HIS 115 CO 0.03 0.64 1.13 -1.25 -0.85 0.00 0.00 174.74 174.44 3kpr s PRO 116 N -0.88 3.76 -1.28 8.40 0.04 -1.26 -1.46 135.00 142.32 3kpr s PRO 116 Ca 0.19 1.68 -0.16 0.00 0.04 0.00 0.00 61.00 62.75 3kpr s PRO 116 Cb -0.14 -2.34 0.11 0.00 0.04 0.00 0.00 34.50 32.16 3kpr s PRO 116 CO 0.08 -0.53 1.66 0.09 0.04 0.00 0.00 177.00 178.35 3kpr n ASN 117 N -0.58 4.99 -4.56 6.66 3.02 -1.26 -4.66 115.26 118.87 3kpr n ASN 117 Ca 0.08 -2.94 -0.33 0.00 -0.03 0.00 0.00 54.58 51.35 3kpr n ASN 117 Cb 0.49 -1.67 -0.04 0.00 -0.61 0.00 0.00 39.78 37.95 3kpr n ASN 117 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 3kpr s ILE 118 N 3.10 3.61 -0.20 2.41 -1.09 -1.26 -4.77 121.20 123.00 3kpr s ILE 118 Ca 0.49 -0.38 0.18 0.00 -2.23 0.00 0.00 60.65 58.71 3kpr s ILE 118 Cb 0.02 -4.39 0.16 0.00 -1.58 0.00 0.00 42.46 36.67 3kpr s ILE 118 CO 0.04 -1.32 1.53 -0.61 -1.23 0.00 0.00 174.94 173.36 3kpr h GLN 119 N 11.13 0.00 -2.85 2.79 4.15 -1.96 -3.38 115.11 124.99 3kpr h GLN 119 Ca 0.07 0.00 -0.61 0.00 0.77 0.00 0.00 58.65 58.87 3kpr h GLN 119 Cb 1.03 0.00 -0.41 0.00 0.21 0.00 0.00 27.48 28.30 3kpr h GLN 119 CO 1.29 0.34 -0.64 0.09 -1.93 0.00 0.00 178.83 177.98 3kpr n ASN 120 N -3.21 2.64 -4.77 -0.69 3.02 -1.26 -5.10 115.26 105.89 3kpr n ASN 120 Ca 0.02 -3.13 -0.40 0.00 -0.03 0.00 0.00 54.58 51.04 3kpr n ASN 120 Cb 0.64 -0.72 -0.01 0.00 -0.61 0.00 0.00 39.78 39.09 3kpr n ASN 120 CO 0.00 0.00 0.00 -2.16 -2.62 0.00 0.00 177.26 172.48 3kpr s PRO 121 N -1.42 4.07 -0.38 3.52 0.04 -1.26 -4.98 135.00 134.59 3kpr s PRO 121 Ca 0.28 2.15 0.11 0.00 0.04 0.00 0.00 61.00 63.59 3kpr s PRO 121 Cb -0.00 -2.83 0.35 0.00 0.04 0.00 0.00 34.50 32.06 3kpr s PRO 121 CO -0.15 -0.41 0.83 -3.47 0.04 0.00 0.00 177.00 173.84 3kpr n ASP 122 N 0.29 0.26 -4.73 6.66 -0.08 0.18 -5.01 116.55 114.12 3kpr n ASP 122 Ca 0.03 -3.10 -0.42 0.00 -1.51 0.00 0.00 54.79 49.79 3kpr n ASP 122 Cb 0.43 -0.12 -0.02 0.00 2.34 0.00 0.00 41.12 43.75 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 -1.95 4.12 -0.19 -0.67 0.04 -1.18 -4.58 135.00 130.58 3kpr s PRO 123 Ca 0.35 2.61 -0.24 0.00 0.04 0.00 0.00 61.00 63.76 3kpr s PRO 123 Cb 0.35 -3.05 0.06 0.00 0.04 0.00 0.00 34.50 31.90 3kpr s PRO 123 CO -0.06 -0.71 0.64 0.00 0.04 0.00 0.00 177.00 176.90 3kpr s ALA 124 N 0.70 -1.60 -0.25 8.56 0.00 -0.75 -0.24 121.76 128.18 3kpr s ALA 124 Ca 0.70 1.63 -0.06 0.00 0.00 0.00 0.00 51.96 54.23 3kpr s ALA 124 Cb -0.49 -0.75 -0.01 0.00 0.00 0.00 0.00 23.12 21.87 3kpr s ALA 124 CO 0.39 -0.32 0.03 0.08 0.00 0.00 0.00 175.76 175.94 3kpr s VAL 125 N -0.11 3.87 0.16 0.00 1.01 -0.97 -0.94 120.40 123.41 3kpr s VAL 125 Ca -0.03 -0.42 0.08 0.00 0.00 0.00 0.00 61.98 61.60 3kpr s VAL 125 Cb -0.03 -2.84 -0.04 0.00 0.00 0.00 0.00 36.38 33.47 3kpr s VAL 125 CO 0.03 0.31 -0.05 -0.31 0.00 0.00 0.00 175.10 175.08 3kpr s TYR 126 N 1.53 2.77 -0.12 5.22 2.02 0.13 -4.32 117.35 124.58 3kpr s TYR 126 Ca 0.05 -0.16 -0.02 0.00 -0.37 0.00 0.00 57.07 56.57 3kpr s TYR 126 Cb -0.15 -1.37 -0.03 0.00 -0.40 0.00 0.00 41.96 40.01 3kpr s TYR 126 CO 0.01 0.50 -0.04 -1.14 -1.57 0.00 0.00 175.55 173.30 3kpr s GLN 127 N -2.73 3.33 -0.12 -0.62 0.74 -1.26 0.24 119.66 119.24 3kpr s GLN 127 Ca 0.25 -0.52 0.01 0.00 0.05 0.00 0.00 55.36 55.16 3kpr s GLN 127 Cb -0.10 -2.80 0.02 0.00 1.10 0.00 0.00 33.01 31.23 3kpr s GLN 127 CO 0.17 0.42 -0.15 -0.51 -0.55 0.00 0.00 175.29 174.66 3kpr s LEU 128 N -0.12 1.72 0.19 3.68 1.02 0.03 -5.00 118.68 120.20 3kpr s LEU 128 Ca 0.02 -0.45 -0.06 0.00 0.02 0.00 0.00 54.13 53.66 3kpr s LEU 128 Cb -0.13 -1.12 -0.06 0.00 0.02 0.00 0.00 46.19 44.90 3kpr s LEU 128 CO 0.03 -0.00 0.45 -0.13 0.02 0.00 0.00 176.35 176.72 3kpr s ARG 129 N 1.11 3.69 0.28 1.70 0.52 -1.26 -1.49 118.95 123.50 3kpr s ARG 129 Ca -0.04 0.05 -0.29 0.00 -0.52 0.00 0.00 55.73 54.93 3kpr s ARG 129 Cb -0.14 -2.76 -0.10 0.00 0.52 0.00 0.00 34.95 32.47 3kpr s ARG 129 CO -0.04 0.39 1.41 0.34 0.02 0.00 0.00 175.30 177.42 3kpr s ASP 130 N -2.48 6.66 0.55 0.23 2.15 -1.14 -4.91 116.67 117.73 3kpr s ASP 130 Ca 0.44 2.71 0.31 0.00 0.43 0.00 0.00 52.55 56.43 3kpr s ASP 130 Cb -0.12 -2.63 1.59 0.00 -0.30 0.00 0.00 42.92 41.46 3kpr s ASP 130 CO 0.24 -0.67 2.11 0.77 -0.17 0.00 0.00 175.17 177.44 3kpr h SER 131 N 4.37 0.00 0.00 -0.34 4.64 -1.96 -3.38 113.55 116.88 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 1.22 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.31 3kpr h SER 131 CO 0.73 0.08 -0.04 1.17 -0.87 0.00 0.00 176.83 177.90 3kpr n LYS 132 N -3.49 0.02 -2.19 4.77 4.81 -1.26 -5.09 118.16 115.73 3kpr n LYS 132 Ca -0.02 0.01 -0.34 0.00 -0.87 0.00 0.00 58.31 57.10 3kpr n LYS 132 Cb 0.22 -0.52 0.00 0.00 0.02 0.00 0.00 35.03 34.75 3kpr n LYS 132 CO 0.00 0.00 0.00 -1.12 1.17 0.00 0.00 177.40 177.45 3kpr s SER 133 N -5.95 5.83 -0.02 3.14 0.01 -1.26 -5.02 113.70 110.43 3kpr s SER 133 Ca -0.01 1.96 -0.07 0.00 1.31 0.00 0.00 55.95 59.14 3kpr s SER 133 Cb 0.00 -2.55 -0.04 0.00 0.21 0.00 0.00 66.02 63.64 3kpr s SER 133 CO 0.02 -1.14 0.43 -1.28 0.41 0.00 0.00 173.24 171.68 3kpr h SER 134 N 0.87 -0.20 0.48 2.44 0.87 -1.98 -3.40 113.55 112.62 3kpr h SER 134 Ca -0.48 0.01 -0.02 0.00 -1.23 0.00 0.00 61.79 60.07 3kpr h SER 134 Cb 1.23 0.05 -0.01 0.00 -0.44 0.00 0.00 62.40 63.24 3kpr h SER 134 CO 0.57 0.03 -0.31 0.44 -0.53 0.00 0.00 176.83 177.04 3kpr h ASP 135 N -0.59 -0.79 -1.41 6.23 3.32 -1.98 -3.46 116.42 117.74 3kpr h ASP 135 Ca -0.02 0.05 -0.70 0.00 0.02 0.00 0.00 57.03 56.38 3kpr h ASP 135 Cb 0.18 0.24 0.08 0.00 0.22 0.00 0.00 39.33 40.05 3kpr h ASP 135 CO 0.04 -0.48 -0.01 0.29 -1.72 0.00 0.00 179.24 177.35 3kpr n LYS 136 N -5.44 0.50 -3.88 3.56 5.02 -1.26 -4.92 118.16 111.73 3kpr n LYS 136 Ca -0.11 0.18 -0.09 0.00 -2.02 0.00 0.00 58.31 56.27 3kpr n LYS 136 Cb 0.34 -1.54 -0.08 0.00 -0.02 0.00 0.00 35.03 33.73 3kpr n LYS 136 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 3kpr s SER 137 N -0.29 0.14 -0.01 4.39 0.15 -1.26 -2.86 113.70 113.96 3kpr s SER 137 Ca 0.76 -0.60 -0.03 0.00 0.70 0.00 0.00 55.95 56.77 3kpr s SER 137 Cb -1.00 0.30 -0.00 0.00 -1.71 0.00 0.00 66.02 63.62 3kpr s SER 137 CO 0.55 -0.65 0.06 -0.69 1.20 0.00 0.00 173.24 173.71 3kpr s VAL 138 N -3.43 0.06 -0.12 4.45 1.01 -0.56 -4.66 120.40 117.15 3kpr s VAL 138 Ca 0.02 -0.47 -0.01 0.00 0.00 0.00 0.00 61.98 61.51 3kpr s VAL 138 Cb 0.03 -0.25 -0.03 0.00 0.00 0.00 0.00 36.38 36.13 3kpr s VAL 138 CO -0.09 -0.26 -0.07 0.00 0.00 0.00 0.00 175.10 174.69 3kpr s LEU 140 N -0.02 3.10 -0.37 0.00 2.96 0.14 -0.29 118.68 124.20 3kpr s LEU 140 Ca -0.00 -1.23 -0.17 0.00 -0.22 0.00 0.00 54.13 52.51 3kpr s LEU 140 Cb -0.14 -1.49 -0.00 0.00 0.50 0.00 0.00 46.19 45.07 3kpr s LEU 140 CO 0.03 -0.16 0.44 0.12 -1.32 0.00 0.00 176.35 175.45 3kpr s PHE 141 N 1.17 3.19 0.16 5.38 5.36 -0.39 0.21 117.98 133.06 3kpr s PHE 141 Ca -0.06 -0.04 -0.02 0.00 -0.96 0.00 0.00 56.93 55.84 3kpr s PHE 141 Cb -0.19 -2.82 -0.04 0.00 -0.34 0.00 0.00 43.02 39.64 3kpr s PHE 141 CO -0.07 -0.54 0.12 -0.08 -1.46 0.00 0.00 175.22 173.19 3kpr s THR 142 N 2.19 0.07 -0.84 0.12 -1.32 -0.12 -0.62 115.64 115.12 3kpr s THR 142 Ca 0.14 -1.86 0.00 0.00 -1.21 0.00 0.00 61.69 58.76 3kpr s THR 142 Cb -0.16 -2.15 0.00 0.00 -1.51 0.00 0.00 72.50 68.68 3kpr s THR 142 CO 0.13 -0.30 0.00 0.47 -2.21 0.00 0.00 174.62 172.71 3kpr n ASP 143 N -0.17 -4.66 -4.85 8.08 9.92 -0.57 -1.81 116.55 122.50 3kpr n ASP 143 Ca -0.03 0.20 -0.32 0.00 -0.53 0.00 0.00 54.79 54.11 3kpr n ASP 143 Cb 0.64 -2.85 -0.03 0.00 -0.64 0.00 0.00 41.12 38.24 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 -2.06 3.47 0.89 1.24 -0.12 -1.26 0.50 117.98 120.63 3kpr s PHE 144 Ca 0.00 1.36 -0.12 0.00 -0.05 0.00 0.00 56.93 58.12 3kpr s PHE 144 Cb 0.00 -2.70 0.17 0.00 -0.63 0.00 0.00 43.02 39.86 3kpr s PHE 144 CO 0.00 -0.33 1.23 0.16 -0.05 0.00 0.00 175.22 176.23 3kpr s ASP 145 N -3.16 3.53 0.10 1.98 -4.77 -1.26 -4.38 116.67 108.72 3kpr s ASP 145 Ca 0.57 0.14 0.19 0.00 -3.30 0.00 0.00 52.55 50.15 3kpr s ASP 145 Cb -0.10 -0.31 0.79 0.00 -1.09 0.00 0.00 42.92 42.21 3kpr s ASP 145 CO 0.33 -2.45 1.59 -1.20 0.70 0.00 0.00 175.17 174.13 3kpr n SER 146 N -3.49 0.28 0.26 2.11 7.64 -1.26 -2.51 113.62 116.64 3kpr n SER 146 Ca 0.15 0.56 0.15 0.00 1.01 0.00 0.00 58.87 60.74 3kpr n SER 146 Cb 0.60 -0.62 0.62 0.00 -1.01 0.00 0.00 64.21 63.79 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 -5.99 1.43 1.08 -1.97 -3.43 115.11 106.22 3kpr h GLN 147 Ca 0.00 0.00 -0.58 0.00 -1.45 0.00 0.00 58.65 56.62 3kpr h GLN 147 Cb 0.32 0.00 -0.06 0.00 -0.05 0.00 0.00 27.48 27.68 3kpr h GLN 147 CO 0.00 0.07 0.45 0.99 -0.95 0.00 0.00 178.83 179.39 3kpr s THR 148 N -3.68 4.85 0.03 -0.54 2.01 -1.05 -5.05 115.64 112.21 3kpr s THR 148 Ca 0.01 1.71 -0.07 0.00 0.31 0.00 0.00 61.69 63.65 3kpr s THR 148 Cb 0.09 -4.17 -0.05 0.00 0.01 0.00 0.00 72.50 68.38 3kpr s THR 148 CO 0.57 0.01 0.30 0.20 -0.69 0.00 0.00 174.62 175.01 3kpr s ASN 149 N 1.16 6.53 -0.27 3.53 0.01 -1.26 -5.00 114.94 119.64 3kpr s ASN 149 Ca 0.40 0.62 -0.04 0.00 -0.71 0.00 0.00 52.86 53.13 3kpr s ASN 149 Cb -0.17 -2.11 0.02 0.00 0.41 0.00 0.00 41.25 39.40 3kpr s ASN 149 CO 0.12 0.23 0.00 -0.69 -1.51 0.00 0.00 177.10 175.26 3kpr s VAL 150 N -1.32 3.38 0.24 1.60 1.01 -1.26 -4.36 120.40 119.68 3kpr s VAL 150 Ca 0.29 -0.85 -0.19 0.00 0.00 0.00 0.00 61.98 61.23 3kpr s VAL 150 Cb -0.13 -2.72 -0.08 0.00 0.00 0.00 0.00 36.38 33.44 3kpr s VAL 150 CO 0.17 0.16 0.73 -0.44 0.00 0.00 0.00 175.10 175.71 3kpr s SER 151 N 1.41 7.00 0.53 3.32 0.01 -1.26 -4.84 113.70 119.87 3kpr s SER 151 Ca 0.02 1.39 -0.20 0.00 1.31 0.00 0.00 55.95 58.47 3kpr s SER 151 Cb -0.17 -2.41 -0.06 0.00 0.21 0.00 0.00 66.02 63.59 3kpr s SER 151 CO -0.01 -0.02 1.12 -1.10 0.41 0.00 0.00 173.24 173.64 3kpr s GLN 152 N -2.18 3.46 0.29 12.44 -1.52 -1.26 -4.79 119.66 126.10 3kpr s GLN 152 Ca 0.45 1.58 -0.29 0.00 -1.95 0.00 0.00 55.36 55.16 3kpr s GLN 152 Cb -0.15 -2.05 -0.09 0.00 -0.22 0.00 0.00 33.01 30.49 3kpr s GLN 152 CO 0.20 -0.75 1.03 -1.54 -0.25 0.00 0.00 175.29 173.98 3kpr s SER 153 N -1.77 7.32 0.00 5.90 1.04 -1.26 -4.95 113.70 119.98 3kpr s SER 153 Ca 0.71 2.11 0.22 0.00 0.48 0.00 0.00 55.95 59.48 3kpr s SER 153 Cb -0.23 -2.61 0.80 0.00 0.10 0.00 0.00 66.02 64.07 3kpr s SER 153 CO 0.26 -0.09 1.58 2.29 0.98 0.00 0.00 173.24 178.26 3kpr n LYS 154 N 1.07 1.73 -4.16 4.02 2.85 -1.26 -4.84 118.16 117.57 3kpr n LYS 154 Ca -0.00 -1.09 -0.34 0.00 -1.05 0.00 0.00 58.31 55.83 3kpr n LYS 154 Cb 0.46 -1.41 -0.11 0.00 -0.65 0.00 0.00 35.03 33.32 3kpr n LYS 154 CO 0.00 0.00 0.00 0.34 -0.05 0.00 0.00 177.40 177.69 3kpr s ASP 155 N -1.64 5.18 0.39 -5.58 3.68 -1.26 -5.01 116.67 112.43 3kpr s ASP 155 Ca 0.33 -0.05 0.08 0.00 2.13 0.00 0.00 52.55 55.04 3kpr s ASP 155 Cb 0.18 -1.87 0.83 0.00 -1.45 0.00 0.00 42.92 40.60 3kpr s ASP 155 CO 0.28 0.15 1.99 0.28 0.13 0.00 0.00 175.17 178.00 3kpr h SER 156 N 6.87 0.55 -0.12 -0.34 0.02 -2.05 -2.60 113.55 115.88 3kpr h SER 156 Ca -0.34 -0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.60 3kpr h SER 156 Cb 1.18 -0.12 0.00 0.00 0.14 0.00 0.00 62.40 63.60 3kpr h SER 156 CO 0.66 0.37 0.00 0.47 -1.14 0.00 0.00 176.83 177.18 3kpr n ASP 157 N -4.47 2.01 -4.35 3.07 9.92 -1.26 -4.79 116.55 116.68 3kpr n ASP 157 Ca 0.08 -1.71 -0.33 0.00 -0.53 0.00 0.00 54.79 52.30 3kpr n ASP 157 Cb 0.20 -0.07 -0.14 0.00 -0.64 0.00 0.00 41.12 40.47 3kpr n ASP 157 CO 0.00 0.00 0.00 -0.69 0.13 0.00 0.00 177.20 176.64 3kpr s VAL 158 N -1.86 3.08 -0.27 2.53 1.01 -0.98 -4.28 120.40 119.63 3kpr s VAL 158 Ca 0.35 -0.64 -0.05 0.00 0.00 0.00 0.00 61.98 61.63 3kpr s VAL 158 Cb 0.20 -2.31 0.01 0.00 0.00 0.00 0.00 36.38 34.27 3kpr s VAL 158 CO 0.30 0.51 0.03 -0.31 0.00 0.00 0.00 175.10 175.63 3kpr s TYR 159 N 0.59 3.11 -0.17 5.22 2.02 -0.50 -4.74 117.35 122.88 3kpr s TYR 159 Ca -0.07 -1.09 0.01 0.00 -0.37 0.00 0.00 57.07 55.55 3kpr s TYR 159 Cb -0.15 -2.19 0.02 0.00 -0.40 0.00 0.00 41.96 39.24 3kpr s TYR 159 CO 0.03 -0.60 -0.17 0.42 -1.57 0.00 0.00 175.55 173.66 3kpr s ILE 160 N 1.46 1.83 0.69 2.71 1.01 -1.26 -1.74 121.20 125.90 3kpr s ILE 160 Ca 0.02 -0.79 -0.11 0.00 0.00 0.00 0.00 60.65 59.77 3kpr s ILE 160 Cb -0.17 -1.68 0.01 0.00 0.01 0.00 0.00 42.46 40.63 3kpr s ILE 160 CO 0.00 0.50 1.08 0.42 0.00 0.00 0.00 174.94 176.95 3kpr s THR 161 N 1.38 3.69 0.88 2.92 -4.23 -0.47 -4.66 115.64 115.14 3kpr s THR 161 Ca 0.05 0.54 -0.12 0.00 -1.18 0.00 0.00 61.69 60.98 3kpr s THR 161 Cb -0.13 -3.54 0.12 0.00 1.34 0.00 0.00 72.50 70.29 3kpr s THR 161 CO -0.12 -0.71 1.10 -0.62 -0.54 0.00 0.00 174.62 173.73 3kpr s ASP 162 N -4.33 3.75 0.25 3.99 -1.08 -1.26 -4.57 116.67 113.42 3kpr s ASP 162 Ca 0.58 1.28 -0.30 0.00 -0.52 0.00 0.00 52.55 53.59 3kpr s ASP 162 Cb -0.11 -1.95 -0.09 0.00 -1.46 0.00 0.00 42.92 39.31 3kpr s ASP 162 CO 0.52 -2.44 1.11 -1.59 0.52 0.00 0.00 175.17 173.29 3kpr s LYS 163 N -5.09 4.61 0.01 4.34 -2.85 -1.26 -4.62 119.74 114.89 3kpr s LYS 163 Ca 0.63 1.80 0.03 0.00 -1.00 0.00 0.00 55.97 57.42 3kpr s LYS 163 Cb -0.16 -3.21 -0.01 0.00 -2.06 0.00 0.00 37.83 32.39 3kpr s LYS 163 CO 0.55 0.15 -0.08 -0.08 0.10 0.00 0.00 175.35 175.99 3kpr s THR 164 N -0.86 0.63 -0.15 3.79 -1.32 -0.86 -4.98 115.64 111.89 3kpr s THR 164 Ca 0.46 -0.58 -0.15 0.00 -1.21 0.00 0.00 61.69 60.21 3kpr s THR 164 Cb -0.32 -0.58 -0.04 0.00 -1.51 0.00 0.00 72.50 70.05 3kpr s THR 164 CO 0.39 0.01 0.36 -0.69 -2.21 0.00 0.00 174.62 172.48 3kpr s VAL 165 N -0.55 5.26 -0.08 5.08 1.01 -1.26 -2.88 120.40 126.99 3kpr s VAL 165 Ca -0.00 0.69 -0.06 0.00 0.00 0.00 0.00 61.98 62.61 3kpr s VAL 165 Cb -0.05 -3.70 -0.04 0.00 0.00 0.00 0.00 36.38 32.59 3kpr s VAL 165 CO 0.00 0.36 0.16 -0.22 0.00 0.00 0.00 175.10 175.41 3kpr s LEU 166 N 0.54 4.38 -0.31 3.92 1.98 0.16 -4.97 118.68 124.40 3kpr s LEU 166 Ca 0.20 0.44 -0.02 0.00 -2.89 0.00 0.00 54.13 51.86 3kpr s LEU 166 Cb -0.14 -2.28 0.10 0.00 0.66 0.00 0.00 46.19 44.54 3kpr s LEU 166 CO 0.06 0.35 0.13 -0.62 -1.89 0.00 0.00 176.35 174.38 3kpr s ASP 167 N -1.36 3.69 -0.81 3.68 2.15 -1.26 -1.96 116.67 120.81 3kpr s ASP 167 Ca 0.20 -1.56 -0.21 0.00 0.43 0.00 0.00 52.55 51.41 3kpr s ASP 167 Cb -0.12 -0.59 0.09 0.00 -0.30 0.00 0.00 42.92 42.00 3kpr s ASP 167 CO 0.09 -0.41 1.09 -0.04 -0.17 0.00 0.00 175.17 175.73 3kpr s MET 168 N 1.75 3.36 0.20 4.34 -1.94 0.73 -4.89 119.30 122.84 3kpr s MET 168 Ca 0.10 -1.21 0.24 0.00 -1.71 0.00 0.00 55.69 53.11 3kpr s MET 168 Cb -0.17 -4.62 0.91 0.00 2.01 0.00 0.00 34.83 32.96 3kpr s MET 168 CO -0.28 -1.85 1.72 0.54 -0.01 0.00 0.00 175.02 175.14 3kpr n ARG 169 N 7.43 0.18 0.04 2.03 1.74 -1.26 -1.25 116.66 125.57 3kpr n ARG 169 Ca 0.11 0.31 -0.14 0.00 -0.77 0.00 0.00 57.85 57.37 3kpr n ARG 169 Cb 0.48 -1.78 -0.03 0.00 -1.02 0.00 0.00 32.46 30.10 3kpr n ARG 169 CO 0.00 0.00 0.00 0.66 -1.52 0.00 0.00 177.63 176.77 3kpr h SER 170 N 0.00 0.64 -0.02 0.55 4.64 -1.95 -3.29 113.55 114.12 3kpr h SER 170 Ca 0.00 -0.46 0.00 0.00 -0.47 0.00 0.00 61.79 60.86 3kpr h SER 170 Cb 0.47 -0.19 0.00 0.00 -0.31 0.00 0.00 62.40 62.36 3kpr h SER 170 CO 0.00 1.24 -0.10 0.23 -0.87 0.00 0.00 176.83 177.33 3kpr n MET 171 N -3.83 1.74 -3.86 4.77 2.81 -1.09 -4.98 117.12 112.70 3kpr n MET 171 Ca -0.07 -1.52 -0.25 0.00 -1.81 0.00 0.00 57.70 54.06 3kpr n MET 171 Cb 0.78 -1.39 -0.00 0.00 -0.71 0.00 0.00 33.22 31.90 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 0.85 -0.93 -4.07 7.83 2.03 -0.38 -4.98 116.55 116.90 3kpr n ASP 172 Ca 0.11 -0.95 -0.30 0.00 0.52 0.00 0.00 54.79 54.17 3kpr n ASP 172 Cb 0.48 -3.38 -0.17 0.00 -0.72 0.00 0.00 41.12 37.34 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 -3.84 2.13 0.12 -0.67 5.36 -0.38 -5.01 117.98 115.69 3kpr s PHE 173 Ca 0.04 -1.06 0.07 0.00 -0.96 0.00 0.00 56.93 55.02 3kpr s PHE 173 Cb -0.01 -1.53 -0.04 0.00 -0.34 0.00 0.00 43.02 41.10 3kpr s PHE 173 CO 0.86 -0.54 -0.08 0.15 -1.46 0.00 0.00 175.22 174.15 3kpr s LYS 174 N 1.07 2.17 -0.22 10.12 1.02 -1.26 -0.19 119.74 132.44 3kpr s LYS 174 Ca -0.04 -1.05 -0.21 0.00 0.02 0.00 0.00 55.97 54.69 3kpr s LYS 174 Cb -0.15 -2.31 0.06 0.00 -0.52 0.00 0.00 37.83 34.92 3kpr s LYS 174 CO -0.04 0.50 0.60 -1.54 -0.92 0.00 0.00 175.35 173.95 3kpr s SER 175 N -2.35 -0.62 0.38 2.83 1.04 -0.83 -4.91 113.70 109.23 3kpr s SER 175 Ca 0.23 1.20 -0.10 0.00 0.48 0.00 0.00 55.95 57.75 3kpr s SER 175 Cb -0.11 1.22 -0.07 0.00 0.10 0.00 0.00 66.02 67.16 3kpr s SER 175 CO 0.15 -0.21 0.73 0.20 0.98 0.00 0.00 173.24 175.09 3kpr s ASN 176 N 0.31 6.54 -0.04 7.02 0.01 -1.26 -0.66 114.94 126.86 3kpr s ASN 176 Ca -0.00 1.09 -0.29 0.00 -0.71 0.00 0.00 52.86 52.95 3kpr s ASN 176 Cb -0.04 -2.30 0.09 0.00 0.41 0.00 0.00 41.25 39.41 3kpr s ASN 176 CO 0.01 -0.34 0.78 -0.94 -1.51 0.00 0.00 177.10 175.10 3kpr s SER 177 N -3.03 -0.53 0.02 -1.22 1.04 -1.14 -1.51 113.70 107.33 3kpr s SER 177 Ca 0.50 0.42 0.04 0.00 0.48 0.00 0.00 55.95 57.39 3kpr s SER 177 Cb -0.10 0.47 -0.02 0.00 0.10 0.00 0.00 66.02 66.47 3kpr s SER 177 CO 0.29 -0.60 -0.11 0.00 0.98 0.00 0.00 173.24 173.80 3kpr s ALA 178 N -1.85 0.90 -0.07 5.32 0.00 0.21 -2.03 121.76 124.25 3kpr s ALA 178 Ca -0.04 -0.64 -0.01 0.00 0.00 0.00 0.00 51.96 51.27 3kpr s ALA 178 Cb -0.00 -0.15 -0.03 0.00 0.00 0.00 0.00 23.12 22.93 3kpr s ALA 178 CO 0.01 0.17 -0.00 0.08 0.00 0.00 0.00 175.76 176.02 3kpr s VAL 179 N -0.68 4.23 0.01 0.00 1.01 -1.26 -1.26 120.40 122.44 3kpr s VAL 179 Ca 0.00 -0.33 0.03 0.00 0.00 0.00 0.00 61.98 61.68 3kpr s VAL 179 Cb -0.06 -2.79 -0.01 0.00 0.00 0.00 0.00 36.38 33.51 3kpr s VAL 179 CO 0.00 0.56 -0.10 0.00 0.00 0.00 0.00 175.10 175.56 3kpr s ALA 180 N -0.92 0.86 0.16 5.51 0.00 0.60 -1.37 121.76 126.61 3kpr s ALA 180 Ca 0.14 -0.54 -0.17 0.00 0.00 0.00 0.00 51.96 51.40 3kpr s ALA 180 Cb -0.11 -0.18 0.03 0.00 0.00 0.00 0.00 23.12 22.86 3kpr s ALA 180 CO 0.04 0.18 0.46 1.67 0.00 0.00 0.00 175.76 178.11 3kpr s TRP 181 N -0.46 -0.16 0.02 0.00 -2.14 -0.71 0.20 118.94 115.70 3kpr s TRP 181 Ca 0.02 -0.16 -0.28 0.00 2.66 0.00 0.00 56.10 58.34 3kpr s TRP 181 Cb -0.05 0.31 0.10 0.00 -3.10 0.00 0.00 33.47 30.73 3kpr s TRP 181 CO 0.00 -0.80 0.88 -1.54 -2.66 0.00 0.00 176.95 172.83 3kpr s SER 182 N -2.84 -0.36 0.00 -2.66 1.04 -1.26 -1.41 113.70 106.21 3kpr s SER 182 Ca 0.06 -0.04 0.27 0.00 0.48 0.00 0.00 55.95 56.72 3kpr s SER 182 Cb 0.01 0.41 0.87 0.00 0.10 0.00 0.00 66.02 67.40 3kpr s SER 182 CO -0.08 -0.67 1.64 0.59 0.98 0.00 0.00 173.24 175.69 3kpr n ASN 183 N -0.28 1.04 -4.76 7.02 3.02 -1.26 -4.91 115.26 115.14 3kpr n ASN 183 Ca -0.09 -0.97 -0.38 0.00 -0.03 0.00 0.00 54.58 53.12 3kpr n ASN 183 Cb 0.62 0.09 0.02 0.00 -0.61 0.00 0.00 39.78 39.89 3kpr n ASN 183 CO 0.00 0.00 0.00 -0.54 -2.62 0.00 0.00 177.26 174.10 3kpr s LYS 184 N -2.40 3.41 0.12 3.52 -0.14 -1.26 -4.93 119.74 118.06 3kpr s LYS 184 Ca 0.27 1.99 0.25 0.00 -1.36 0.00 0.00 55.97 57.12 3kpr s LYS 184 Cb 0.20 -2.30 0.52 0.00 -1.68 0.00 0.00 37.83 34.57 3kpr s LYS 184 CO 0.48 -0.90 1.48 0.45 -0.76 0.00 0.00 175.35 176.10 3kpr n SER 185 N -0.82 0.67 0.12 2.83 2.88 -1.26 -3.66 113.62 114.38 3kpr n SER 185 Ca 0.09 0.22 0.03 0.00 -1.33 0.00 0.00 58.87 57.88 3kpr n SER 185 Cb 0.47 -0.10 0.01 0.00 -0.75 0.00 0.00 64.21 63.84 3kpr n SER 185 CO 0.00 0.00 0.00 -0.78 -1.23 0.00 0.00 175.04 173.03 3kpr h ASP 186 N 0.00 0.00 -3.58 -3.46 3.58 -2.00 -3.46 116.42 107.50 3kpr h ASP 186 Ca 0.00 0.00 -0.51 0.00 0.42 0.00 0.00 57.03 56.94 3kpr h ASP 186 Cb 0.71 0.00 -0.00 0.00 1.72 0.00 0.00 39.33 41.75 3kpr h ASP 186 CO 0.00 0.46 0.43 0.12 -2.88 0.00 0.00 179.24 177.37 3kpr s PHE 187 N -2.99 3.68 0.09 0.28 5.36 -1.24 -5.05 117.98 118.11 3kpr s PHE 187 Ca 0.03 1.68 -0.08 0.00 -0.96 0.00 0.00 56.93 57.60 3kpr s PHE 187 Cb 0.08 -3.19 -0.01 0.00 -0.34 0.00 0.00 43.02 39.56 3kpr s PHE 187 CO 0.75 -0.30 0.17 0.00 -1.46 0.00 0.00 175.22 174.38 3kpr s ALA 188 N -0.24 -0.12 0.44 11.12 0.00 -1.26 -4.97 121.76 126.73 3kpr s ALA 188 Ca 0.48 -0.70 0.21 0.00 0.00 0.00 0.00 51.96 51.94 3kpr s ALA 188 Cb -0.27 0.48 1.22 0.00 0.00 0.00 0.00 23.12 24.55 3kpr s ALA 188 CO 0.33 -0.50 2.03 0.00 0.00 0.00 0.00 175.76 177.63 3kpr h ALA 190 N 1.85 1.34 -0.01 0.00 0.00 -1.96 -3.18 119.26 117.29 3kpr h ALA 190 Ca -0.00 -0.27 0.00 0.00 0.00 0.00 0.00 54.91 54.64 3kpr h ALA 190 Cb 0.32 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.06 3kpr h ALA 190 CO 0.02 0.36 -0.22 0.27 0.00 0.00 0.00 179.25 179.69 3kpr n ASN 191 N -3.93 1.13 -0.28 0.00 6.94 -0.94 -4.76 115.26 113.42 3kpr n ASN 191 Ca -0.02 -1.07 0.01 0.00 -0.02 0.00 0.00 54.58 53.49 3kpr n ASN 191 Cb 0.36 0.51 0.14 0.00 -2.36 0.00 0.00 39.78 38.43 3kpr n ASN 191 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 3kpr h ALA 192 N 1.64 1.10 -0.42 -2.53 0.00 -1.13 -2.87 119.26 115.05 3kpr h ALA 192 Ca 0.00 0.01 -0.04 0.00 0.00 0.00 0.00 54.91 54.89 3kpr h ALA 192 Cb 0.32 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.92 3kpr h ALA 192 CO 0.00 0.15 0.03 1.19 0.00 0.00 0.00 179.25 180.62 3kpr n PHE 193 N -4.71 1.48 0.30 0.00 3.01 -1.26 -4.59 117.46 111.68 3kpr n PHE 193 Ca 0.12 -0.92 0.18 0.00 1.01 0.00 0.00 57.45 57.84 3kpr n PHE 193 Cb 0.21 -0.43 1.02 0.00 -0.01 0.00 0.00 39.48 40.27 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 2.50 0.00 1.05 4.37 4.21 -1.83 -0.24 115.58 125.64 3kpr h ASN 194 Ca 0.05 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.56 3kpr h ASN 194 Cb 1.73 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 38.93 3kpr h ASN 194 CO 0.38 0.00 0.00 -1.13 -1.29 0.00 0.00 177.43 175.39 3kpr h ASN 195 N 0.00 0.00 -2.66 5.81 -1.24 -1.84 -3.45 115.58 112.20 3kpr h ASN 195 Ca 0.01 0.00 -0.56 0.00 0.71 0.00 0.00 56.30 56.46 3kpr h ASN 195 Cb 0.09 0.00 -0.05 0.00 0.73 0.00 0.00 38.32 39.09 3kpr h ASN 195 CO -0.00 0.00 -0.52 -0.44 -1.29 0.00 0.00 177.43 175.18 3kpr s SER 196 N -5.18 5.91 -0.47 1.15 0.01 -0.10 -4.71 113.70 110.30 3kpr s SER 196 Ca 0.03 0.02 -0.25 0.00 1.31 0.00 0.00 55.95 57.07 3kpr s SER 196 Cb 0.09 -1.67 0.03 0.00 0.21 0.00 0.00 66.02 64.68 3kpr s SER 196 CO 0.51 0.07 0.90 -0.63 0.41 0.00 0.00 173.24 174.50 3kpr s ILE 197 N -1.72 4.49 0.08 1.44 1.01 -1.26 -5.03 121.20 120.21 3kpr s ILE 197 Ca 0.33 0.61 0.05 0.00 0.00 0.00 0.00 60.65 61.63 3kpr s ILE 197 Cb -0.11 -4.43 -0.04 0.00 0.01 0.00 0.00 42.46 37.90 3kpr s ILE 197 CO 0.26 -0.85 -0.01 0.27 0.00 0.00 0.00 174.94 174.60 3kpr s ILE 198 N 3.69 3.95 0.30 2.92 -4.36 -1.26 -4.56 121.20 121.88 3kpr s ILE 198 Ca 0.35 -0.96 -0.29 0.00 -0.26 0.00 0.00 60.65 59.49 3kpr s ILE 198 Cb -0.11 -2.86 -0.13 0.00 1.25 0.00 0.00 42.46 40.61 3kpr s ILE 198 CO 0.25 0.16 1.24 -2.65 0.24 0.00 0.00 174.94 174.18 3kpr n PRO 199 N 0.73 1.87 0.19 0.37 -0.02 -1.26 -4.86 135.00 132.03 3kpr n PRO 199 Ca -0.12 0.66 0.14 0.00 -2.02 0.00 0.00 63.50 62.16 3kpr n PRO 199 Cb 0.52 -2.20 0.67 0.00 -0.02 0.00 0.00 33.50 32.47 3kpr n PRO 199 CO 0.00 0.00 0.00 0.93 1.98 0.00 0.00 175.50 178.41 3kpr h GLU 200 N 2.80 0.00 -0.71 -0.52 4.39 -2.01 -1.95 114.58 116.58 3kpr h GLU 200 Ca -0.44 0.00 -0.36 0.00 0.34 0.00 0.00 59.36 58.90 3kpr h GLU 200 Cb 1.30 0.00 -0.22 0.00 -0.10 0.00 0.00 28.75 29.73 3kpr h GLU 200 CO 0.65 0.00 0.33 -0.40 -1.16 0.00 0.00 179.01 178.43 3kpr n ASP 201 N -2.47 3.26 -4.69 1.42 5.68 -1.26 -4.99 116.55 113.51 3kpr n ASP 201 Ca -0.00 -3.66 -0.42 0.00 -0.50 0.00 0.00 54.79 50.20 3kpr n ASP 201 Cb 0.13 -0.75 -0.03 0.00 -1.14 0.00 0.00 41.12 39.33 3kpr n ASP 201 CO 0.00 0.00 0.00 -0.89 -1.33 0.00 0.00 177.20 174.98 3kpr s THR 202 N -3.26 3.76 -0.17 2.12 2.01 -0.73 -4.65 115.64 114.71 3kpr s THR 202 Ca 0.52 1.13 -0.29 0.00 0.31 0.00 0.00 61.69 63.35 3kpr s THR 202 Cb 0.45 -3.73 -0.00 0.00 0.01 0.00 0.00 72.50 69.23 3kpr s THR 202 CO 0.06 -0.01 1.03 0.12 -0.69 0.00 0.00 174.62 175.14 3kpr s PHE 203 N 2.44 3.41 -0.44 4.92 5.36 0.67 -4.92 117.98 129.42 3kpr s PHE 203 Ca 0.63 1.52 0.01 0.00 -0.96 0.00 0.00 56.93 58.13 3kpr s PHE 203 Cb -0.31 -3.24 0.12 0.00 -0.34 0.00 0.00 43.02 39.25 3kpr s PHE 203 CO 0.26 -0.39 0.20 -0.06 -1.46 0.00 0.00 175.22 173.76 3kpr s PHE 204 N 2.62 3.54 0.01 10.12 0.40 -1.26 -2.30 117.98 131.12 3kpr s PHE 204 Ca 0.46 -2.84 -0.30 0.00 -0.60 0.00 0.00 56.93 53.65 3kpr s PHE 204 Cb -0.17 -3.03 -0.07 0.00 0.51 0.00 0.00 43.02 40.27 3kpr s PHE 204 CO 0.12 -0.90 1.59 -1.25 0.70 0.00 0.00 175.22 175.48 3kpr s PRO 205 N 0.56 4.21 0.00 0.24 0.04 -1.26 -5.08 135.00 133.71 3kpr s PRO 205 Ca 0.12 2.19 0.32 0.00 0.04 0.00 0.00 61.00 63.67 3kpr s PRO 205 Cb -0.22 -3.72 1.83 0.00 0.04 0.00 0.00 34.50 32.43 3kpr s PRO 205 CO -0.05 -0.73 2.18 -1.13 0.04 0.00 0.00 177.00 177.32