#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1f5k s ILE 17 N 0.00 4.98 0.00 1.39 -1.09 0.30 -4.13 121.20 122.65 1f5k s ILE 17 Ca 0.00 1.47 0.00 0.00 -2.23 0.00 0.00 60.65 59.89 1f5k s ILE 17 Cb 0.00 -4.06 0.00 0.00 -1.58 0.00 0.00 42.46 36.82 1f5k s ILE 17 CO 0.00 0.15 0.00 0.61 -1.23 0.00 0.00 174.94 174.47 1f5k n GLY 18 N 3.35 0.73 7.00 6.18 0.00 -1.26 -2.86 105.19 118.33 1f5k n GLY 18 Ca 0.01 -0.79 0.00 0.00 0.00 0.00 0.00 46.02 45.24 1f5k n GLY 18 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1f5k n GLY 19 N 0.00 -0.87 3.20 -0.02 0.00 -1.26 -4.88 105.19 101.36 1f5k n GLY 19 Ca 0.00 -1.18 -0.12 0.00 0.00 0.00 0.00 46.02 44.72 1f5k n GLY 19 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1f5k s GLU 20 N 0.00 1.13 0.08 1.61 2.02 -0.62 -4.99 118.70 117.93 1f5k s GLU 20 Ca 0.00 -1.57 0.02 0.00 0.02 0.00 0.00 54.97 53.43 1f5k s GLU 20 Cb 0.00 0.14 -0.04 0.00 0.10 0.00 0.00 34.13 34.33 1f5k s GLU 20 CO 0.00 -0.31 0.15 -0.06 0.02 0.00 0.00 175.26 175.06 1f5k s PHE 21 N -4.02 3.35 0.22 1.61 0.40 -1.26 -2.33 117.98 115.94 1f5k s PHE 21 Ca 0.32 0.15 0.03 0.00 -0.60 0.00 0.00 56.93 56.84 1f5k s PHE 21 Cb 0.07 -1.68 -0.01 0.00 0.51 0.00 0.00 43.02 41.91 1f5k s PHE 21 CO 0.08 0.55 0.22 -2.37 0.70 0.00 0.00 175.22 174.40 1f5k n THR 22 N 0.30 0.00 -4.59 0.64 5.66 -0.20 -4.87 114.28 111.21 1f5k n THR 22 Ca -0.07 -1.45 -0.28 0.00 -3.05 0.00 0.00 64.05 59.20 1f5k n THR 22 Cb 0.52 0.76 -0.09 0.00 -1.55 0.00 0.00 70.33 69.97 1f5k n THR 22 CO 0.00 0.00 0.00 0.42 -3.05 0.00 0.00 175.07 172.44 1f5k s THR 23 N -2.82 1.04 -2.07 1.09 -4.23 -1.26 -4.31 115.64 103.08 1f5k s THR 23 Ca 0.24 -2.00 0.30 0.00 -1.18 0.00 0.00 61.69 59.04 1f5k s THR 23 Cb 0.01 -2.44 0.64 0.00 1.34 0.00 0.00 72.50 72.05 1f5k s THR 23 CO 0.17 0.00 1.94 0.00 -0.54 0.00 0.00 174.62 176.19 1f5k n ILE 24 N -0.99 0.00 0.12 2.99 0.13 -1.26 -1.96 119.36 118.40 1f5k n ILE 24 Ca -0.09 -0.11 -0.02 0.00 -1.10 0.00 0.00 62.75 61.43 1f5k n ILE 24 Cb 0.66 -0.01 0.12 0.00 -0.84 0.00 0.00 39.64 39.57 1f5k n ILE 24 CO 0.00 0.00 0.00 -0.33 2.80 0.00 0.00 176.55 179.02 1f5k h GLU 25 N 1.02 0.00 0.00 9.51 5.08 -1.87 0.21 114.58 128.54 1f5k h GLU 25 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1f5k h GLU 25 Cb 0.29 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.54 1f5k h GLU 25 CO 0.00 0.68 -0.61 -0.91 -1.00 0.00 0.00 179.01 177.17 1f5k h ASN 26 N 0.00 0.00 -1.83 1.42 2.35 -1.73 -3.38 115.58 112.41 1f5k h ASN 26 Ca -0.01 -0.10 -0.47 0.00 -0.55 0.00 0.00 56.30 55.17 1f5k h ASN 26 Cb 1.22 0.00 -0.40 0.00 0.05 0.00 0.00 38.32 39.19 1f5k h ASN 26 CO 0.09 0.05 -1.14 0.00 -1.65 0.00 0.00 177.43 174.77 1f5k n GLN 27 N -2.44 1.24 0.16 0.81 1.13 -0.89 -4.99 117.38 112.40 1f5k n GLN 27 Ca 0.03 -3.50 0.09 0.00 -1.94 0.00 0.00 57.00 51.67 1f5k n GLN 27 Cb 0.49 -1.68 0.48 0.00 0.11 0.00 0.00 30.24 29.64 1f5k n GLN 27 CO 0.00 0.00 0.00 -0.35 -1.44 0.00 0.00 177.06 175.27 1f5k n PRO 28 N 0.16 0.12 0.00 -1.09 -0.04 0.70 -2.04 135.00 132.80 1f5k n PRO 28 Ca 0.23 0.60 0.11 0.00 -0.04 0.00 0.00 63.50 64.41 1f5k n PRO 28 Cb 0.67 -1.99 0.06 0.00 -0.04 0.00 0.00 33.50 32.20 1f5k n PRO 28 CO 0.00 0.00 0.00 -2.67 -0.04 0.00 0.00 175.50 172.79 1f5k n TRP 29 N -2.15 0.00 -2.10 0.54 2.14 -1.13 -1.49 117.44 113.25 1f5k n TRP 29 Ca -0.01 0.00 -0.43 0.00 2.07 0.00 0.00 57.50 59.13 1f5k n TRP 29 Cb 0.14 -0.05 -0.03 0.00 -0.81 0.00 0.00 31.31 30.56 1f5k n TRP 29 CO 0.00 0.00 0.00 0.12 2.07 0.00 0.00 177.69 179.88 1f5k s PHE 30 N -2.68 2.15 0.01 -2.67 2.19 -0.87 -0.51 117.98 115.60 1f5k s PHE 30 Ca 0.16 0.41 -0.01 0.00 0.33 0.00 0.00 56.93 57.83 1f5k s PHE 30 Cb 0.18 -3.86 -0.04 0.00 -1.31 0.00 0.00 43.02 37.99 1f5k s PHE 30 CO 0.66 -3.28 0.12 0.00 1.83 0.00 0.00 175.22 174.55 1f5k s ALA 31 N 4.25 3.73 -0.51 11.12 0.00 0.83 -4.53 121.76 136.66 1f5k s ALA 31 Ca 0.70 -0.85 -0.15 0.00 0.00 0.00 0.00 51.96 51.65 1f5k s ALA 31 Cb -0.29 -1.67 0.11 0.00 0.00 0.00 0.00 23.12 21.26 1f5k s ALA 31 CO 0.27 0.73 0.45 0.00 0.00 0.00 0.00 175.76 177.20 1f5k s ALA 32 N -1.28 3.59 -0.22 0.00 0.00 -0.12 -1.80 121.76 121.94 1f5k s ALA 32 Ca 0.26 -2.36 -0.15 0.00 0.00 0.00 0.00 51.96 49.71 1f5k s ALA 32 Cb -0.12 -3.15 -0.04 0.00 0.00 0.00 0.00 23.12 19.80 1f5k s ALA 32 CO 0.17 -1.89 0.36 0.42 0.00 0.00 0.00 175.76 174.82 1f5k s ILE 33 N 1.60 5.22 0.28 0.00 1.01 -0.13 -1.99 121.20 127.19 1f5k s ILE 33 Ca 0.04 0.61 0.10 0.00 0.00 0.00 0.00 60.65 61.40 1f5k s ILE 33 Cb -0.27 -3.69 -0.05 0.00 0.01 0.00 0.00 42.46 38.46 1f5k s ILE 33 CO 0.04 0.25 -0.08 -0.31 0.00 0.00 0.00 174.94 174.85 1f5k s TYR 34 N 1.39 2.53 -0.05 3.97 2.02 0.55 -0.55 117.35 127.20 1f5k s TYR 34 Ca 0.17 -0.27 0.05 0.00 -0.37 0.00 0.00 57.07 56.65 1f5k s TYR 34 Cb -0.15 -1.13 -0.01 0.00 -0.40 0.00 0.00 41.96 40.27 1f5k s TYR 34 CO 0.08 0.65 -0.22 0.50 -1.57 0.00 0.00 175.55 174.99 1f5k s ARG 35 N -3.61 2.28 0.49 -0.62 3.52 -0.23 -0.88 118.95 119.89 1f5k s ARG 35 Ca 0.31 -0.79 -0.19 0.00 -0.13 0.00 0.00 55.73 54.94 1f5k s ARG 35 Cb -0.06 -1.93 -0.09 0.00 -1.56 0.00 0.00 34.95 31.32 1f5k s ARG 35 CO 0.18 0.32 0.99 1.03 -0.81 0.00 0.00 175.30 177.01 1f5k s ARG 36 N -0.06 3.95 0.21 5.12 0.52 0.33 -2.32 118.95 126.71 1f5k s ARG 36 Ca -0.05 1.11 0.04 0.00 -0.52 0.00 0.00 55.73 56.32 1f5k s ARG 36 Cb -0.13 -2.13 -0.05 0.00 0.52 0.00 0.00 34.95 33.16 1f5k s ARG 36 CO 0.03 -0.28 -0.04 -1.01 0.02 0.00 0.00 175.30 174.03 1f5k s HIS 37 N -2.34 1.54 -0.54 -0.53 3.76 -0.68 -4.95 115.29 111.55 1f5k s HIS 37 Ca 0.62 -0.84 -0.03 0.00 -0.15 0.00 0.00 55.06 54.65 1f5k s HIS 37 Cb -0.11 -0.86 -0.04 0.00 1.11 0.00 0.00 32.58 32.68 1f5k s HIS 37 CO 0.24 0.04 1.71 0.54 -0.85 0.00 0.00 174.74 176.42 1f5k n ARG 37 N -0.38 1.29 -0.00 1.40 1.74 -1.26 -4.27 116.66 115.18 1f5k n ARG 37 Ca -0.06 -1.05 0.14 0.00 -0.77 0.00 0.00 57.85 56.11 1f5k n ARG 37 Cb 0.63 -2.23 0.80 0.00 -1.02 0.00 0.00 32.46 30.63 1f5k n ARG 37 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1f5k n GLY 37 N 3.75 -0.83 3.70 -0.13 0.00 -1.26 -5.15 105.19 105.28 1f5k n GLY 37 Ca 0.27 -0.22 -0.42 0.00 0.00 0.00 0.00 46.02 45.65 1f5k n GLY 37 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1f5k s SER 37 N -1.90 7.29 -0.17 1.61 1.04 -1.26 -5.04 113.70 115.27 1f5k s SER 37 Ca 0.42 1.57 -0.02 0.00 0.48 0.00 0.00 55.95 58.40 1f5k s SER 37 Cb 0.20 -2.55 -0.01 0.00 0.10 0.00 0.00 66.02 63.76 1f5k s SER 37 CO 0.33 -0.32 -0.10 -0.69 0.98 0.00 0.00 173.24 173.45 1f5k s VAL 38 N 1.36 3.16 0.13 5.02 1.01 -1.26 -1.69 120.40 128.13 1f5k s VAL 38 Ca 0.49 -0.60 0.10 0.00 0.00 0.00 0.00 61.98 61.98 1f5k s VAL 38 Cb -0.20 -2.37 -0.04 0.00 0.00 0.00 0.00 36.38 33.77 1f5k s VAL 38 CO 0.23 0.49 -0.24 0.42 0.00 0.00 0.00 175.10 176.01 1f5k s THR 39 N 0.79 2.47 0.14 3.92 -4.23 -0.98 -4.95 115.64 112.80 1f5k s THR 39 Ca -0.04 -1.68 -0.30 0.00 -1.18 0.00 0.00 61.69 58.49 1f5k s THR 39 Cb -0.15 -2.11 -0.07 0.00 1.34 0.00 0.00 72.50 71.51 1f5k s THR 39 CO 0.01 0.09 1.17 -0.47 -0.54 0.00 0.00 174.62 174.88 1f5k s TYR 40 N -1.11 3.48 -0.06 3.99 5.04 -1.26 -1.07 117.35 126.36 1f5k s TYR 40 Ca 0.16 1.44 -0.06 0.00 -2.44 0.00 0.00 57.07 56.16 1f5k s TYR 40 Cb -0.10 -3.38 -0.02 0.00 0.35 0.00 0.00 41.96 38.81 1f5k s TYR 40 CO 0.08 -1.04 -0.12 0.28 -1.34 0.00 0.00 175.55 173.40 1f5k n VAL 41 N 2.94 0.63 -3.90 3.14 0.31 0.29 -4.90 118.33 116.84 1f5k n VAL 41 Ca 0.05 0.31 -0.08 0.00 -0.01 0.00 0.00 64.34 64.61 1f5k n VAL 41 Cb 0.46 -1.76 -0.02 0.00 -0.91 0.00 0.00 33.84 31.61 1f5k n VAL 41 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1f5k s GLY 43 N -3.00 1.75 0.12 0.00 0.00 -0.25 -0.95 107.32 104.99 1f5k s GLY 43 Ca 0.16 -1.78 -0.25 0.00 0.00 0.00 0.00 44.72 42.85 1f5k s GLY 43 CO 0.09 -1.18 1.08 -0.32 0.00 0.00 0.00 173.10 172.77 1f5k s GLY 44 N -4.78 -0.12 -0.00 0.20 0.00 -0.74 -3.83 107.32 98.04 1f5k s GLY 44 Ca 0.68 0.03 0.02 0.00 0.00 0.00 0.00 44.72 45.45 1f5k s GLY 44 CO 0.45 1.44 -0.08 -0.56 0.00 0.00 0.00 173.10 174.35 1f5k s SER 45 N -3.20 0.89 -0.50 1.64 0.01 -1.17 -0.12 113.70 111.24 1f5k s SER 45 Ca 0.18 -0.15 -0.25 0.00 1.31 0.00 0.00 55.95 57.04 1f5k s SER 45 Cb -0.01 -0.10 0.03 0.00 0.21 0.00 0.00 66.02 66.16 1f5k s SER 45 CO 0.02 0.09 0.94 -0.22 0.41 0.00 0.00 173.24 174.47 1f5k s LEU 46 N -0.21 4.04 0.02 2.44 2.96 0.34 0.39 118.68 128.65 1f5k s LEU 46 Ca 0.03 -0.09 0.22 0.00 -0.22 0.00 0.00 54.13 54.07 1f5k s LEU 46 Cb -0.03 -3.03 -0.02 0.00 0.50 0.00 0.00 46.19 43.62 1f5k s LEU 46 CO -0.00 -1.14 0.98 2.30 -1.32 0.00 0.00 176.35 177.17 1f5k n ILE 47 N 6.32 0.08 -3.80 6.68 -5.35 -1.14 -1.37 119.36 120.79 1f5k n ILE 47 Ca 0.04 -0.17 -0.05 0.00 -0.27 0.00 0.00 62.75 62.31 1f5k n ILE 47 Cb 0.48 0.43 -0.01 0.00 -1.74 0.00 0.00 39.64 38.80 1f5k n ILE 47 CO 0.00 0.00 0.00 -0.94 -1.76 0.00 0.00 176.55 173.85 1f5k s SER 48 N -3.59 -0.19 0.41 7.28 1.04 -1.22 -4.67 113.70 112.75 1f5k s SER 48 Ca 0.05 -0.52 0.07 0.00 0.48 0.00 0.00 55.95 56.03 1f5k s SER 48 Cb 0.15 0.59 0.86 0.00 0.10 0.00 0.00 66.02 67.72 1f5k s SER 48 CO 0.82 -1.10 2.04 -0.65 0.98 0.00 0.00 173.24 175.33 1f5k h PRO 49 N 2.00 0.55 -0.19 4.02 0.11 -1.95 -3.26 132.00 133.29 1f5k h PRO 49 Ca -0.23 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.85 1f5k h PRO 49 Cb 1.24 -0.12 0.00 0.00 0.11 0.00 0.00 31.00 32.22 1f5k h PRO 49 CO 0.26 0.37 0.00 0.00 -0.21 0.00 0.00 178.00 178.41 1f5k s TRP 51 N -0.93 1.04 -0.19 0.00 0.52 -1.23 -0.34 118.94 117.81 1f5k s TRP 51 Ca 0.17 -0.26 -0.01 0.00 0.02 0.00 0.00 56.10 56.02 1f5k s TRP 51 Cb 0.10 -0.73 0.05 0.00 -1.15 0.00 0.00 33.47 31.74 1f5k s TRP 51 CO 0.13 -0.10 -0.01 0.08 0.02 0.00 0.00 176.95 177.07 1f5k s VAL 52 N 0.13 0.92 0.97 4.03 1.01 -0.16 -2.88 120.40 124.43 1f5k s VAL 52 Ca -0.02 -0.72 -0.16 0.00 0.00 0.00 0.00 61.98 61.08 1f5k s VAL 52 Cb -0.08 -1.27 0.22 0.00 0.00 0.00 0.00 36.38 35.24 1f5k s VAL 52 CO 0.01 -0.08 1.32 0.00 0.00 0.00 0.00 175.10 176.34 1f5k n ILE 53 N 4.91 0.00 -3.44 2.22 3.06 0.16 0.78 119.36 127.06 1f5k n ILE 53 Ca -0.10 -1.02 0.00 0.00 -2.50 0.00 0.00 62.75 59.12 1f5k n ILE 53 Cb 0.47 -1.47 0.00 0.00 0.54 0.00 0.00 39.64 39.18 1f5k n ILE 53 CO 0.00 0.00 0.00 -0.24 -2.50 0.00 0.00 176.55 173.81 1f5k n SER 54 N -3.80 0.00 -4.61 9.51 2.88 -0.45 -3.07 113.62 114.08 1f5k n SER 54 Ca 0.17 0.00 -0.33 0.00 -1.33 0.00 0.00 58.87 57.38 1f5k n SER 54 Cb 0.58 0.00 -0.10 0.00 -0.75 0.00 0.00 64.21 63.94 1f5k n SER 54 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1f5k s ALA 55 N -1.04 3.07 0.27 -1.46 0.00 -1.26 -0.10 121.76 121.25 1f5k s ALA 55 Ca 0.00 -0.94 -0.03 0.00 0.00 0.00 0.00 51.96 50.99 1f5k s ALA 55 Cb 0.00 -1.23 0.36 0.00 0.00 0.00 0.00 23.12 22.24 1f5k s ALA 55 CO 0.00 0.60 1.84 1.15 0.00 0.00 0.00 175.76 179.35 1f5k h THR 56 N 3.95 1.23 0.00 0.00 2.02 -1.76 -2.73 112.91 115.61 1f5k h THR 56 Ca -0.49 -0.73 0.00 0.00 0.77 0.00 0.00 66.41 65.96 1f5k h THR 56 Cb 1.17 0.46 0.00 0.00 -1.74 0.00 0.00 68.15 68.04 1f5k h THR 56 CO 0.54 0.29 0.05 1.12 0.37 0.00 0.00 175.52 177.89 1f5k h HIS 57 N 0.94 0.00 -0.00 3.16 2.07 -1.93 -0.39 115.15 119.01 1f5k h HIS 57 Ca 0.22 0.00 -0.14 0.00 -2.85 0.00 0.00 60.37 57.60 1f5k h HIS 57 Cb 0.19 0.00 -0.02 0.00 2.57 0.00 0.00 27.41 30.15 1f5k h HIS 57 CO 0.01 0.00 -0.68 0.00 -3.07 0.00 0.00 177.93 174.20 1f5k n PHE 59 N -3.73 0.00 -0.29 0.00 3.72 -0.26 -4.80 117.46 112.09 1f5k n PHE 59 Ca -0.01 0.00 0.26 0.00 -0.05 0.00 0.00 57.45 57.65 1f5k n PHE 59 Cb 0.67 0.00 0.60 0.00 -0.94 0.00 0.00 39.48 39.81 1f5k n PHE 59 CO 0.00 0.00 0.00 0.97 -0.05 0.00 0.00 176.76 177.68 1f5k h ILE 60 N 0.00 0.51 0.00 4.37 6.09 -1.43 -0.73 117.51 126.33 1f5k h ILE 60 Ca 0.00 -0.08 -0.05 0.00 -1.37 0.00 0.00 64.86 63.36 1f5k h ILE 60 Cb 0.01 0.25 -0.01 0.00 0.47 0.00 0.00 36.82 37.54 1f5k h ILE 60 CO 0.00 0.04 -0.39 0.44 -3.07 0.00 0.00 178.15 175.17 1f5k h ASP 60 N 0.24 0.00 -2.16 2.19 3.32 -1.87 -3.38 116.42 114.76 1f5k h ASP 60 Ca 0.55 0.00 -0.57 0.00 0.02 0.00 0.00 57.03 57.02 1f5k h ASP 60 Cb 1.69 0.00 -0.39 0.00 0.22 0.00 0.00 39.33 40.85 1f5k h ASP 60 CO -0.17 0.20 -0.99 -1.22 -1.72 0.00 0.00 179.24 175.34 1f5k n TYR 60 N -3.07 0.15 0.32 4.55 4.02 -0.32 -4.97 117.16 117.84 1f5k n TYR 60 Ca 0.02 -3.61 0.00 0.00 -0.01 0.00 0.00 57.90 54.30 1f5k n TYR 60 Cb 0.62 -0.24 0.00 0.00 -0.02 0.00 0.00 39.34 39.70 1f5k n TYR 60 CO 0.00 0.00 0.00 -2.30 -1.01 0.00 0.00 176.86 173.55 1f5k n PRO 60 N 1.70 0.32 -3.69 -0.72 -0.02 -0.99 -4.76 135.00 126.84 1f5k n PRO 60 Ca 0.24 0.00 -0.38 0.00 -2.02 0.00 0.00 63.50 61.34 1f5k n PRO 60 Cb 0.50 -1.31 -0.10 0.00 -0.02 0.00 0.00 33.50 32.56 1f5k n PRO 60 CO 0.00 0.00 0.00 0.21 1.98 0.00 0.00 175.50 177.69 1f5k s LYS 61 N 0.42 2.28 0.52 -0.52 2.20 -1.26 -4.93 119.74 118.45 1f5k s LYS 61 Ca 0.00 -1.94 0.26 0.00 -0.36 0.00 0.00 55.97 53.94 1f5k s LYS 61 Cb 0.00 -3.74 1.39 0.00 -1.51 0.00 0.00 37.83 33.98 1f5k s LYS 61 CO 0.00 -1.13 1.96 1.57 -0.36 0.00 0.00 175.35 177.38 1f5k h LYS 62 N 8.00 0.03 0.00 4.03 2.10 -1.90 0.54 116.57 129.38 1f5k h LYS 62 Ca -0.13 -0.00 -0.01 0.00 -2.00 0.00 0.00 60.65 58.50 1f5k h LYS 62 Cb 1.04 -0.01 -0.00 0.00 -0.90 0.00 0.00 32.23 32.36 1f5k h LYS 62 CO 0.75 0.02 -0.06 0.93 -2.00 0.00 0.00 179.45 179.10 1f5k h GLU 62 N 0.04 0.00 0.00 0.07 4.39 -1.92 -2.43 114.58 114.72 1f5k h GLU 62 Ca 0.31 0.00 0.00 0.00 0.34 0.00 0.00 59.36 60.01 1f5k h GLU 62 Cb 1.21 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.86 1f5k h GLU 62 CO -0.01 0.06 0.00 -0.25 -1.16 0.00 0.00 179.01 177.64 1f5k n ASP 63 N -3.24 0.00 -4.87 1.42 8.00 0.18 -4.89 116.55 113.16 1f5k n ASP 63 Ca -0.01 0.36 -0.31 0.00 0.71 0.00 0.00 54.79 55.54 1f5k n ASP 63 Cb 0.27 -0.45 -0.05 0.00 -0.02 0.00 0.00 41.12 40.87 1f5k n ASP 63 CO 0.00 0.00 0.00 -0.31 -0.39 0.00 0.00 177.20 176.50 1f5k s TYR 64 N -2.91 3.42 -0.05 1.24 1.51 -0.92 0.12 117.35 119.77 1f5k s TYR 64 Ca 0.17 0.22 0.01 0.00 -1.01 0.00 0.00 57.07 56.46 1f5k s TYR 64 Cb 0.19 -1.73 0.02 0.00 -0.11 0.00 0.00 41.96 40.33 1f5k s TYR 64 CO 0.50 0.58 -0.06 0.42 -1.11 0.00 0.00 175.55 175.88 1f5k s ILE 65 N -1.42 0.68 -0.10 2.71 1.01 -0.06 -4.15 121.20 119.87 1f5k s ILE 65 Ca 0.31 -0.20 0.01 0.00 0.00 0.00 0.00 60.65 60.78 1f5k s ILE 65 Cb -0.13 -0.68 -0.02 0.00 0.01 0.00 0.00 42.46 41.65 1f5k s ILE 65 CO 0.24 0.26 -0.14 -0.69 0.00 0.00 0.00 174.94 174.60 1f5k s VAL 66 N 0.92 2.99 -0.07 2.92 1.01 -0.56 -0.33 120.40 127.27 1f5k s VAL 66 Ca -0.11 -0.71 0.04 0.00 0.00 0.00 0.00 61.98 61.20 1f5k s VAL 66 Cb -0.15 -2.22 -0.02 0.00 0.00 0.00 0.00 36.38 34.00 1f5k s VAL 66 CO 0.00 0.55 -0.18 -0.31 0.00 0.00 0.00 175.10 175.16 1f5k s TYR 67 N -0.00 2.63 0.08 5.22 2.02 -0.84 -0.34 117.35 126.11 1f5k s TYR 67 Ca -0.04 -0.49 0.09 0.00 -0.37 0.00 0.00 57.07 56.26 1f5k s TYR 67 Cb -0.14 -1.67 -0.03 0.00 -0.40 0.00 0.00 41.96 39.71 1f5k s TYR 67 CO 0.04 -0.06 -0.25 -0.51 -1.57 0.00 0.00 175.55 173.20 1f5k s LEU 68 N -0.25 2.23 -0.65 -1.29 1.43 -0.64 -0.94 118.68 118.56 1f5k s LEU 68 Ca 0.00 -0.63 0.00 0.00 -1.03 0.00 0.00 54.13 52.47 1f5k s LEU 68 Cb -0.13 -1.17 0.00 0.00 0.03 0.00 0.00 46.19 44.92 1f5k s LEU 68 CO 0.03 0.20 0.00 0.61 0.23 0.00 0.00 176.35 177.42 1f5k n GLY 69 N 1.47 0.85 3.53 -3.19 0.00 -1.25 -1.34 105.19 105.27 1f5k n GLY 69 Ca -0.18 -0.72 -0.36 0.00 0.00 0.00 0.00 46.02 44.76 1f5k n GLY 69 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1f5k s ARG 70 N -2.44 3.82 0.09 1.61 3.52 -1.26 -4.17 118.95 120.12 1f5k s ARG 70 Ca 0.00 -0.40 0.22 0.00 -0.13 0.00 0.00 55.73 55.43 1f5k s ARG 70 Cb 0.00 -3.39 -0.10 0.00 -1.56 0.00 0.00 34.95 29.89 1f5k s ARG 70 CO 0.00 -0.07 0.86 0.43 -0.81 0.00 0.00 175.30 175.70 1f5k n SER 71 N 4.62 0.52 -4.32 -2.12 7.64 -1.26 -4.77 113.62 113.94 1f5k n SER 71 Ca -0.16 0.09 -0.28 0.00 1.01 0.00 0.00 58.87 59.54 1f5k n SER 71 Cb 0.52 1.03 -0.14 0.00 -1.01 0.00 0.00 64.21 64.61 1f5k n SER 71 CO 0.00 0.00 0.00 -0.13 -3.01 0.00 0.00 175.04 171.90 1f5k s ARG 72 N -3.38 1.55 0.03 1.43 0.52 -1.26 -2.21 118.95 115.63 1f5k s ARG 72 Ca -0.02 -1.09 -0.27 0.00 -0.52 0.00 0.00 55.73 53.83 1f5k s ARG 72 Cb 0.12 -1.76 -0.15 0.00 0.52 0.00 0.00 34.95 33.68 1f5k s ARG 72 CO 0.83 0.44 1.31 -0.07 0.02 0.00 0.00 175.30 177.83 1f5k h LEU 73 N 4.62 -0.82 -3.39 2.53 3.38 -1.39 -3.36 115.31 116.89 1f5k h LEU 73 Ca -0.46 0.03 -0.18 0.00 0.09 0.00 0.00 57.88 57.36 1f5k h LEU 73 Cb 1.16 0.21 -0.11 0.00 0.09 0.00 0.00 40.66 42.01 1f5k h LEU 73 CO 0.43 -0.55 -0.01 0.59 0.09 0.00 0.00 178.44 178.99 1f5k n ASN 74 N -4.80 2.77 -3.86 -0.43 3.02 -1.26 -5.00 115.26 105.68 1f5k n ASN 74 Ca -0.12 -3.66 -0.09 0.00 -0.03 0.00 0.00 54.58 50.68 1f5k n ASN 74 Cb 0.38 -0.64 -0.08 0.00 -0.61 0.00 0.00 39.78 38.83 1f5k n ASN 74 CO 0.00 0.00 0.00 -0.94 -2.62 0.00 0.00 177.26 173.70 1f5k s SER 75 N -2.36 0.10 0.48 6.41 1.04 -1.26 -5.16 113.70 112.95 1f5k s SER 75 Ca 0.45 -0.54 -0.19 0.00 0.48 0.00 0.00 55.95 56.15 1f5k s SER 75 Cb 0.40 0.31 -0.09 0.00 0.10 0.00 0.00 66.02 66.74 1f5k s SER 75 CO 0.02 -0.64 0.99 0.20 0.98 0.00 0.00 173.24 174.79 1f5k s ASN 76 N -2.50 6.60 -0.10 7.02 0.01 -1.26 -4.56 114.94 120.15 1f5k s ASN 76 Ca 0.00 1.74 0.03 0.00 -0.71 0.00 0.00 52.86 53.93 1f5k s ASN 76 Cb 0.02 -2.54 -0.00 0.00 0.41 0.00 0.00 41.25 39.14 1f5k s ASN 76 CO -0.08 -0.60 -0.23 -0.89 -1.51 0.00 0.00 177.10 173.80 1f5k s THR 77 N -2.25 2.18 0.46 1.60 2.01 -1.26 -4.94 115.64 113.44 1f5k s THR 77 Ca 0.63 -0.98 -0.21 0.00 0.31 0.00 0.00 61.69 61.44 1f5k s THR 77 Cb -0.12 -1.84 -0.11 0.00 0.01 0.00 0.00 72.50 70.44 1f5k s THR 77 CO 0.21 0.56 0.57 0.00 -0.69 0.00 0.00 174.62 175.26 1f5k n GLN 78 N 3.53 0.61 -0.54 4.92 10.64 -1.26 -1.82 117.38 133.47 1f5k n GLN 78 Ca -0.19 0.23 0.00 0.00 -1.83 0.00 0.00 57.00 55.21 1f5k n GLN 78 Cb 0.53 -1.59 0.00 0.00 -0.86 0.00 0.00 30.24 28.31 1f5k n GLN 78 CO 0.00 0.00 0.00 0.41 -1.83 0.00 0.00 177.06 175.64 1f5k n GLY 79 N 1.75 1.46 3.79 2.61 0.00 -1.26 -4.99 105.19 108.54 1f5k n GLY 79 Ca 0.11 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.80 1f5k n GLY 79 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1f5k s GLU 80 N -0.11 3.05 -0.04 1.61 -1.05 -0.75 -4.79 118.70 116.61 1f5k s GLU 80 Ca 0.00 1.28 0.02 0.00 -0.15 0.00 0.00 54.97 56.12 1f5k s GLU 80 Cb 0.00 -1.99 0.01 0.00 -0.44 0.00 0.00 34.13 31.71 1f5k s GLU 80 CO 0.00 -1.03 -0.06 -1.64 0.95 0.00 0.00 175.26 173.47 1f5k s MET 81 N -4.13 0.93 -0.08 -4.83 -1.94 -0.45 -5.00 119.30 103.80 1f5k s MET 81 Ca 0.65 -0.19 -0.11 0.00 -1.71 0.00 0.00 55.69 54.32 1f5k s MET 81 Cb -0.18 -0.88 -0.05 0.00 2.01 0.00 0.00 34.83 35.73 1f5k s MET 81 CO 0.40 -0.01 0.26 0.21 -0.01 0.00 0.00 175.02 175.88 1f5k s LYS 82 N 0.63 3.76 0.04 2.03 2.20 -1.26 -1.63 119.74 125.52 1f5k s LYS 82 Ca -0.09 0.11 0.03 0.00 -0.36 0.00 0.00 55.97 55.65 1f5k s LYS 82 Cb -0.12 -3.24 -0.02 0.00 -1.51 0.00 0.00 37.83 32.93 1f5k s LYS 82 CO 0.01 0.66 -0.09 -0.06 -0.36 0.00 0.00 175.35 175.51 1f5k s PHE 83 N -0.80 0.75 0.45 4.03 0.08 0.53 -4.59 117.98 118.43 1f5k s PHE 83 Ca 0.18 -0.46 0.03 0.00 0.12 0.00 0.00 56.93 56.80 1f5k s PHE 83 Cb -0.14 -0.45 0.01 0.00 -0.57 0.00 0.00 43.02 41.87 1f5k s PHE 83 CO 0.07 -0.05 0.65 -1.21 -0.10 0.00 0.00 175.22 174.58 1f5k s GLU 84 N -1.48 2.92 -0.39 0.44 0.41 0.16 -1.49 118.70 119.27 1f5k s GLU 84 Ca -0.08 -0.74 -0.12 0.00 -0.41 0.00 0.00 54.97 53.63 1f5k s GLU 84 Cb -0.09 -2.61 0.04 0.00 -1.78 0.00 0.00 34.13 29.68 1f5k s GLU 84 CO 0.01 -0.31 0.24 0.08 -0.49 0.00 0.00 175.26 174.78 1f5k s VAL 85 N -2.51 4.66 0.18 2.63 1.01 -1.26 -2.17 120.40 122.95 1f5k s VAL 85 Ca 0.50 -0.91 0.03 0.00 0.00 0.00 0.00 61.98 61.60 1f5k s VAL 85 Cb -0.10 -3.65 -0.12 0.00 0.00 0.00 0.00 36.38 32.52 1f5k s VAL 85 CO 0.36 -0.30 1.43 -0.08 0.00 0.00 0.00 175.10 176.51 1f5k h GLU 86 N 8.48 0.21 -2.48 2.72 4.81 -0.91 -3.42 114.58 123.98 1f5k h GLU 86 Ca -0.25 -0.20 -0.08 0.00 -0.13 0.00 0.00 59.36 58.70 1f5k h GLU 86 Cb 1.10 0.05 -0.25 0.00 0.63 0.00 0.00 28.75 30.28 1f5k h GLU 86 CO 0.70 0.90 -0.23 1.21 -0.73 0.00 0.00 179.01 180.86 1f5k s ASN 87 N -6.92 -0.61 -0.33 1.04 3.04 -1.16 -4.97 114.94 105.04 1f5k s ASN 87 Ca -0.03 1.05 -0.05 0.00 0.04 0.00 0.00 52.86 53.87 1f5k s ASN 87 Cb 0.11 0.97 0.05 0.00 -1.54 0.00 0.00 41.25 40.84 1f5k s ASN 87 CO 0.82 -0.21 0.09 -0.22 -3.04 0.00 0.00 177.10 174.54 1f5k s LEU 88 N 1.56 4.27 -0.34 3.21 2.96 -1.26 -0.46 118.68 128.63 1f5k s LEU 88 Ca -0.09 -1.22 -0.08 0.00 -0.22 0.00 0.00 54.13 52.52 1f5k s LEU 88 Cb -0.08 -1.83 0.03 0.00 0.50 0.00 0.00 46.19 44.81 1f5k s LEU 88 CO -0.15 -0.32 0.13 -0.63 -1.32 0.00 0.00 176.35 174.06 1f5k s ILE 89 N 1.36 4.06 0.10 6.68 1.01 0.88 -5.00 121.20 130.28 1f5k s ILE 89 Ca -0.02 -0.94 0.02 0.00 0.00 0.00 0.00 60.65 59.71 1f5k s ILE 89 Cb -0.20 -3.23 -0.04 0.00 0.01 0.00 0.00 42.46 39.00 1f5k s ILE 89 CO 0.02 -0.13 0.19 -0.76 0.00 0.00 0.00 174.94 174.26 1f5k s LEU 90 N 1.47 4.16 -0.13 2.97 1.43 -1.26 -0.79 118.68 126.53 1f5k s LEU 90 Ca 0.00 0.13 -0.29 0.00 -1.03 0.00 0.00 54.13 52.94 1f5k s LEU 90 Cb -0.19 -2.77 -0.02 0.00 0.03 0.00 0.00 46.19 43.24 1f5k s LEU 90 CO 0.04 0.13 1.23 -2.28 0.23 0.00 0.00 176.35 175.69 1f5k s HIS 91 N -1.57 2.99 0.57 0.29 5.65 -1.21 -4.92 115.29 117.09 1f5k s HIS 91 Ca 0.33 1.10 0.26 0.00 0.25 0.00 0.00 55.06 57.01 1f5k s HIS 91 Cb -0.12 -3.46 1.65 0.00 -1.18 0.00 0.00 32.58 29.47 1f5k s HIS 91 CO 0.26 -1.50 2.20 -0.22 -0.65 0.00 0.00 174.74 174.83 1f5k h LYS 92 N 7.90 0.00 -0.61 2.88 3.64 -1.94 -2.22 116.57 126.23 1f5k h LYS 92 Ca -0.29 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.09 1f5k h LYS 92 Cb 1.12 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.94 1f5k h LYS 92 CO 0.94 0.00 0.00 -0.25 -2.27 0.00 0.00 179.45 177.87 1f5k n ASP 93 N -4.03 3.58 -4.77 4.20 8.00 -1.26 -4.97 116.55 117.30 1f5k n ASP 93 Ca -0.02 -2.29 -0.40 0.00 0.71 0.00 0.00 54.79 52.79 1f5k n ASP 93 Cb 0.14 -0.48 0.01 0.00 -0.02 0.00 0.00 41.12 40.77 1f5k n ASP 93 CO 0.00 0.00 0.00 -0.47 -0.39 0.00 0.00 177.20 176.34 1f5k s TYR 94 N -1.71 2.59 -0.01 1.24 5.04 -0.84 -4.72 117.35 118.94 1f5k s TYR 94 Ca 0.38 1.31 -0.29 0.00 -2.44 0.00 0.00 57.07 56.03 1f5k s TYR 94 Cb 0.24 -3.83 0.07 0.00 0.35 0.00 0.00 41.96 38.78 1f5k s TYR 94 CO 0.19 -2.63 0.65 -1.54 -1.34 0.00 0.00 175.55 170.88 1f5k s SER 95 N -0.58 -0.62 -0.11 4.32 1.04 -1.16 -5.01 113.70 111.58 1f5k s SER 95 Ca 0.59 0.55 0.02 0.00 0.48 0.00 0.00 55.95 57.59 1f5k s SER 95 Cb -0.42 0.54 0.01 0.00 0.10 0.00 0.00 66.02 66.26 1f5k s SER 95 CO 0.54 -0.67 -0.17 0.00 0.98 0.00 0.00 173.24 173.92 1f5k s ALA 96 N -1.69 1.81 0.04 5.32 0.00 -1.26 -0.72 121.76 125.26 1f5k s ALA 96 Ca -0.09 -0.80 0.00 0.00 0.00 0.00 0.00 51.96 51.07 1f5k s ALA 96 Cb -0.00 -0.85 0.00 0.00 0.00 0.00 0.00 23.12 22.26 1f5k s ALA 96 CO 0.05 -0.05 0.00 -0.25 0.00 0.00 0.00 175.76 175.52 1f5k n ASP 97 N 4.13 0.00 -0.19 0.00 9.92 0.51 -4.99 116.55 125.94 1f5k n ASP 97 Ca -0.19 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.07 1f5k n ASP 97 Cb 0.51 0.00 0.10 0.00 -0.64 0.00 0.00 41.12 41.09 1f5k n ASP 97 CO 0.00 0.00 0.00 0.74 0.13 0.00 0.00 177.20 178.07 1f5k h THR 97 N 0.00 0.59 0.00 -3.53 2.02 -2.02 -3.39 112.91 106.58 1f5k h THR 97 Ca 0.00 -0.06 0.00 0.00 0.77 0.00 0.00 66.41 67.12 1f5k h THR 97 Cb 0.00 0.39 0.00 0.00 -1.74 0.00 0.00 68.15 66.80 1f5k h THR 97 CO 0.00 0.03 -0.52 0.18 0.37 0.00 0.00 175.52 175.58 1f5k n LEU 97 N -5.20 0.75 -4.77 2.58 4.77 -1.26 -5.10 117.00 108.78 1f5k n LEU 97 Ca 0.08 0.00 -0.40 0.00 -0.03 0.00 0.00 56.01 55.66 1f5k n LEU 97 Cb 0.32 0.00 -0.02 0.00 -2.33 0.00 0.00 43.42 41.39 1f5k n LEU 97 CO 0.15 0.00 0.90 0.00 -1.33 0.00 0.00 177.39 177.11 1f5k s ALA 98 N -1.77 3.34 -0.16 -1.18 0.00 -1.26 -4.75 121.76 115.97 1f5k s ALA 98 Ca 0.00 1.11 -0.00 0.00 0.00 0.00 0.00 51.96 53.07 1f5k s ALA 98 Cb 0.00 -3.43 -0.00 0.00 0.00 0.00 0.00 23.12 19.69 1f5k s ALA 98 CO 0.00 -0.56 -0.13 -1.01 0.00 0.00 0.00 175.76 174.05 1f5k s HIS 99 N -1.25 2.82 0.01 0.00 3.76 -1.26 -0.36 115.29 119.01 1f5k s HIS 99 Ca 0.52 -0.99 -0.01 0.00 -0.15 0.00 0.00 55.06 54.43 1f5k s HIS 99 Cb -0.35 -1.92 -0.04 0.00 1.11 0.00 0.00 32.58 31.38 1f5k s HIS 99 CO 0.46 -0.46 0.13 -1.01 -0.85 0.00 0.00 174.74 173.02 1f5k s HIS 100 N 0.86 3.40 -1.58 1.40 3.76 0.10 -4.45 115.29 118.79 1f5k s HIS 100 Ca -0.04 0.25 -0.11 0.00 -0.15 0.00 0.00 55.06 55.02 1f5k s HIS 100 Cb -0.15 -1.76 0.09 0.00 1.11 0.00 0.00 32.58 31.87 1f5k s HIS 100 CO -0.00 0.59 0.62 0.09 -0.85 0.00 0.00 174.74 175.18 1f5k n ASN 101 N 0.88 -2.04 -4.54 1.40 3.02 -1.26 -3.00 115.26 109.72 1f5k n ASN 101 Ca -0.11 -1.01 -0.43 0.00 -0.03 0.00 0.00 54.58 53.00 1f5k n ASN 101 Cb 0.52 -2.85 0.00 0.00 -0.61 0.00 0.00 39.78 36.84 1f5k n ASN 101 CO 0.00 0.00 0.00 -0.67 -2.62 0.00 0.00 177.26 173.97 1f5k n ASP 102 N -2.80 5.01 -3.72 6.41 2.03 -1.26 -4.54 116.55 117.69 1f5k n ASP 102 Ca -0.09 -2.94 -0.13 0.00 0.52 0.00 0.00 54.79 52.15 1f5k n ASP 102 Cb 0.58 -1.70 -0.10 0.00 -0.72 0.00 0.00 41.12 39.18 1f5k n ASP 102 CO 0.00 0.00 0.00 -0.51 -1.92 0.00 0.00 177.20 174.77 1f5k s ILE 103 N 3.49 -0.00 0.05 5.18 2.07 -1.26 -4.37 121.20 126.36 1f5k s ILE 103 Ca 0.51 0.01 -0.06 0.00 -1.41 0.00 0.00 60.65 59.69 1f5k s ILE 103 Cb 0.02 -0.64 -0.01 0.00 0.13 0.00 0.00 42.46 41.96 1f5k s ILE 103 CO 0.06 0.00 0.11 0.00 -1.91 0.00 0.00 174.94 173.20 1f5k s ALA 104 N 0.32 -0.04 -0.09 1.50 0.00 0.86 -3.33 121.76 120.97 1f5k s ALA 104 Ca -0.01 -0.65 0.03 0.00 0.00 0.00 0.00 51.96 51.34 1f5k s ALA 104 Cb -0.03 0.32 0.01 0.00 0.00 0.00 0.00 23.12 23.41 1f5k s ALA 104 CO -0.00 -0.38 -0.18 -0.51 0.00 0.00 0.00 175.76 174.68 1f5k s LEU 105 N -2.44 1.88 -0.23 0.00 1.43 0.03 -1.34 118.68 118.01 1f5k s LEU 105 Ca -0.00 -0.44 0.02 0.00 -1.03 0.00 0.00 54.13 52.67 1f5k s LEU 105 Cb 0.02 -1.15 0.05 0.00 0.03 0.00 0.00 46.19 45.14 1f5k s LEU 105 CO -0.07 0.10 -0.12 -0.76 0.23 0.00 0.00 176.35 175.73 1f5k s LEU 106 N 0.52 2.86 -0.06 1.79 1.02 0.23 -0.09 118.68 124.96 1f5k s LEU 106 Ca -0.16 -1.13 -0.30 0.00 0.02 0.00 0.00 54.13 52.56 1f5k s LEU 106 Cb -0.17 -1.43 -0.03 0.00 0.02 0.00 0.00 46.19 44.58 1f5k s LEU 106 CO 0.06 -0.15 1.15 -0.75 0.02 0.00 0.00 176.35 176.68 1f5k s LYS 107 N 1.23 4.37 0.19 1.70 2.20 0.39 -0.98 119.74 128.84 1f5k s LYS 107 Ca -0.04 1.61 0.06 0.00 -0.36 0.00 0.00 55.97 57.24 1f5k s LYS 107 Cb -0.18 -3.55 -0.04 0.00 -1.51 0.00 0.00 37.83 32.56 1f5k s LYS 107 CO -0.07 -0.41 0.10 0.96 -0.36 0.00 0.00 175.35 175.57 1f5k s ILE 108 N 2.12 4.18 -0.28 5.43 -4.36 0.54 -0.21 121.20 128.62 1f5k s ILE 108 Ca 0.54 -1.30 -0.22 0.00 -0.26 0.00 0.00 60.65 59.42 1f5k s ILE 108 Cb -0.23 -3.16 0.08 0.00 1.25 0.00 0.00 42.46 40.40 1f5k s ILE 108 CO 0.21 -0.17 0.76 0.00 0.24 0.00 0.00 174.94 175.98 1f5k s ARG 109 N -3.23 0.74 0.94 0.37 1.70 -0.92 -4.76 118.95 113.79 1f5k s ARG 109 Ca 0.30 1.01 -0.14 0.00 -0.47 0.00 0.00 55.73 56.44 1f5k s ARG 109 Cb -0.09 0.29 0.16 0.00 -0.57 0.00 0.00 34.95 34.73 1f5k s ARG 109 CO 0.22 -0.11 1.18 -1.54 -1.08 0.00 0.00 175.30 173.97 1f5k s SER 110 N 0.82 3.28 0.61 -2.89 1.04 -1.11 -0.67 113.70 114.79 1f5k s SER 110 Ca -0.03 0.75 0.32 0.00 0.48 0.00 0.00 55.95 57.47 1f5k s SER 110 Cb -0.05 -1.17 1.84 0.00 0.10 0.00 0.00 66.02 66.75 1f5k s SER 110 CO -0.07 -2.67 2.19 0.11 0.98 0.00 0.00 173.24 173.77 1f5k h LYS 110 N -1.58 0.00 -0.00 4.02 1.57 -1.93 0.10 116.57 118.75 1f5k h LYS 110 Ca -0.48 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.30 1f5k h LYS 110 Cb 1.31 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.62 1f5k h LYS 110 CO 0.54 0.00 -0.22 0.39 -0.57 0.00 0.00 179.45 179.60 1f5k n GLU 110 N -3.63 0.24 -0.51 3.15 4.71 -1.26 -4.93 120.64 118.40 1f5k n GLU 110 Ca -0.01 -0.09 0.00 0.00 -0.01 0.00 0.00 57.16 57.05 1f5k n GLU 110 Cb 0.21 -1.50 0.00 0.00 -1.01 0.00 0.00 31.44 29.14 1f5k n GLU 110 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 1f5k n GLY 110 N 1.43 0.73 3.85 0.62 0.00 0.36 -5.08 105.19 107.10 1f5k n GLY 110 Ca 0.09 -0.08 -0.32 0.00 0.00 0.00 0.00 46.02 45.71 1f5k n GLY 110 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1f5k s ARG 110 N -0.56 3.96 0.00 1.61 1.81 -1.26 -4.76 118.95 119.75 1f5k s ARG 110 Ca 0.00 0.68 0.00 0.00 -1.72 0.00 0.00 55.73 54.69 1f5k s ARG 110 Cb 0.00 -2.37 0.00 0.00 -0.45 0.00 0.00 34.95 32.13 1f5k s ARG 110 CO 0.00 0.05 0.00 0.00 -0.68 0.00 0.00 175.30 174.67 1f5k s ALA 112 N -2.76 3.08 -0.29 0.00 0.00 -0.77 -4.87 121.76 116.15 1f5k s ALA 112 Ca 0.00 1.28 -0.02 0.00 0.00 0.00 0.00 51.96 53.22 1f5k s ALA 112 Cb 0.00 -3.52 0.05 0.00 0.00 0.00 0.00 23.12 19.64 1f5k s ALA 112 CO 0.00 -1.07 -0.01 -0.65 0.00 0.00 0.00 175.76 174.03 1f5k s GLN 113 N -2.57 2.48 0.30 0.00 -1.52 -1.26 -4.82 119.66 112.28 1f5k s GLN 113 Ca 0.63 -1.23 -0.28 0.00 -1.95 0.00 0.00 55.36 52.54 1f5k s GLN 113 Cb -0.39 -3.15 -0.14 0.00 -0.22 0.00 0.00 33.01 29.11 1f5k s GLN 113 CO 0.48 -0.59 1.00 -2.30 -0.25 0.00 0.00 175.29 173.64 1f5k n PRO 114 N 4.63 1.35 -1.45 2.91 -0.02 -1.26 -4.84 135.00 136.31 1f5k n PRO 114 Ca -0.14 0.47 -0.01 0.00 -2.02 0.00 0.00 63.50 61.80 1f5k n PRO 114 Cb 0.44 -1.86 0.00 0.00 -0.02 0.00 0.00 33.50 32.06 1f5k n PRO 114 CO 0.00 0.00 0.00 -1.13 1.98 0.00 0.00 175.50 176.35 1f5k n SER 115 N 1.16 -0.28 0.21 2.55 3.41 0.32 -4.95 113.62 116.04 1f5k n SER 115 Ca 0.09 -1.22 0.15 0.00 -0.26 0.00 0.00 58.87 57.64 1f5k n SER 115 Cb 0.33 0.48 0.59 0.00 -0.26 0.00 0.00 64.21 65.35 1f5k n SER 115 CO 0.00 0.00 0.00 -0.09 -0.16 0.00 0.00 175.04 174.79 1f5k h ARG 116 N 0.00 0.00 -0.01 4.33 2.43 -2.00 -3.00 114.38 116.14 1f5k h ARG 116 Ca -0.04 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.13 1f5k h ARG 116 Cb 0.16 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.71 1f5k h ARG 116 CO 0.05 0.00 -0.14 0.25 -1.51 0.00 0.00 179.97 178.63 1f5k n THR 117 N -2.69 0.00 -3.68 0.20 -2.24 -1.26 -4.59 114.28 100.02 1f5k n THR 117 Ca 0.01 -0.43 -0.28 0.00 -2.27 0.00 0.00 64.05 61.09 1f5k n THR 117 Cb 0.27 1.10 -0.16 0.00 -2.10 0.00 0.00 70.33 69.44 1f5k n THR 117 CO 0.00 0.00 0.00 -0.63 -0.57 0.00 0.00 175.07 173.87 1f5k s ILE 118 N -1.08 0.33 0.03 2.28 1.01 -1.13 -3.78 121.20 118.86 1f5k s ILE 118 Ca 0.07 -0.59 -0.05 0.00 0.00 0.00 0.00 60.65 60.08 1f5k s ILE 118 Cb 0.06 -0.98 -0.01 0.00 0.01 0.00 0.00 42.46 41.53 1f5k s ILE 118 CO 0.18 -0.36 0.08 -1.10 0.00 0.00 0.00 174.94 173.74 1f5k s GLN 119 N 1.93 0.56 0.36 2.79 -0.21 -0.56 -0.52 119.66 124.01 1f5k s GLN 119 Ca 0.02 -0.74 -0.08 0.00 0.02 0.00 0.00 55.36 54.59 1f5k s GLN 119 Cb -0.17 0.22 -0.06 0.00 1.00 0.00 0.00 33.01 34.00 1f5k s GLN 119 CO -0.14 -0.13 0.67 0.95 -2.12 0.00 0.00 175.29 174.52 1f5k s THR 120 N -2.50 4.90 0.02 -0.19 -4.23 -1.26 -2.82 115.64 109.55 1f5k s THR 120 Ca -0.06 0.33 0.03 0.00 -1.18 0.00 0.00 61.69 60.81 1f5k s THR 120 Cb -0.02 -3.74 -0.04 0.00 1.34 0.00 0.00 72.50 70.04 1f5k s THR 120 CO -0.04 -0.46 -0.02 -0.51 -0.54 0.00 0.00 174.62 173.05 1f5k s ILE 121 N -2.27 3.98 0.31 2.99 1.10 -0.47 -4.90 121.20 121.93 1f5k s ILE 121 Ca 0.48 -0.72 -0.27 0.00 -0.51 0.00 0.00 60.65 59.62 1f5k s ILE 121 Cb -0.10 -2.78 -0.09 0.00 0.15 0.00 0.00 42.46 39.63 1f5k s ILE 121 CO 0.32 0.34 1.02 -0.44 -2.11 0.00 0.00 174.94 174.06 1f5k s SER 122 N -1.64 7.24 0.45 4.50 0.01 -1.23 -4.59 113.70 118.44 1f5k s SER 122 Ca 0.20 2.04 -0.06 0.00 1.31 0.00 0.00 55.95 59.44 1f5k s SER 122 Cb -0.11 -2.60 -0.04 0.00 0.21 0.00 0.00 66.02 63.47 1f5k s SER 122 CO 0.11 -0.14 0.77 -0.76 0.41 0.00 0.00 173.24 173.62 1f5k s LEU 123 N -1.82 3.70 0.93 2.44 1.43 -1.26 -0.78 118.68 123.33 1f5k s LEU 123 Ca 0.48 0.96 -0.14 0.00 -1.03 0.00 0.00 54.13 54.40 1f5k s LEU 123 Cb -0.25 -3.89 0.16 0.00 0.03 0.00 0.00 46.19 42.24 1f5k s LEU 123 CO 0.32 -0.51 1.21 -2.84 0.23 0.00 0.00 176.35 174.76 1f5k s PRO 124 N -4.46 0.92 0.42 1.29 0.02 -1.26 -4.83 135.00 127.10 1f5k s PRO 124 Ca 0.48 -0.05 0.01 0.00 0.02 0.00 0.00 61.00 61.46 1f5k s PRO 124 Cb -0.10 -1.85 -0.01 0.00 0.02 0.00 0.00 34.50 32.56 1f5k s PRO 124 CO 0.41 -2.28 0.62 -1.12 -0.33 0.00 0.00 177.00 174.30 1f5k s SER 125 N -4.48 5.92 -0.37 2.53 0.01 -1.26 -4.95 113.70 111.10 1f5k s SER 125 Ca 0.68 0.23 -0.37 0.00 1.31 0.00 0.00 55.95 57.80 1f5k s SER 125 Cb -0.09 -1.55 -0.13 0.00 0.21 0.00 0.00 66.02 64.45 1f5k s SER 125 CO 0.52 -0.60 2.15 0.23 0.41 0.00 0.00 173.24 175.95 1f5k n MET 126 N -1.97 0.88 -3.91 12.44 2.81 -1.26 -1.46 117.12 124.64 1f5k n MET 126 Ca 0.00 0.25 -0.29 0.00 -1.81 0.00 0.00 57.70 55.85 1f5k n MET 126 Cb 0.58 -2.25 0.02 0.00 -0.71 0.00 0.00 33.22 30.86 1f5k n MET 126 CO 0.00 0.00 0.00 0.66 1.51 0.00 0.00 175.97 178.14 1f5k n TYR 127 N 9.06 -2.16 -3.95 2.03 4.02 -1.25 -4.95 117.16 119.97 1f5k n TYR 127 Ca 0.43 0.88 -0.30 0.00 -0.01 0.00 0.00 57.90 58.90 1f5k n TYR 127 Cb 0.17 -3.95 -0.14 0.00 -0.02 0.00 0.00 39.34 35.39 1f5k n TYR 127 CO 0.00 0.00 0.00 1.21 -1.01 0.00 0.00 176.86 177.06 1f5k s ASN 128 N -3.55 4.37 0.27 7.72 2.47 -0.54 -5.09 114.94 120.59 1f5k s ASN 128 Ca 0.52 -2.76 0.09 0.00 0.42 0.00 0.00 52.86 51.13 1f5k s ASN 128 Cb -0.26 -1.58 -0.04 0.00 -1.45 0.00 0.00 41.25 37.91 1f5k s ASN 128 CO 0.84 -0.27 0.00 -1.81 -3.72 0.00 0.00 177.10 172.14 1f5k s ASP 129 N 0.07 4.54 0.73 -4.21 1.01 -1.26 -4.33 116.67 113.21 1f5k s ASP 129 Ca 0.15 -0.66 -0.13 0.00 0.71 0.00 0.00 52.55 52.62 1f5k s ASP 129 Cb -0.24 -0.83 0.04 0.00 1.01 0.00 0.00 42.92 42.90 1f5k s ASP 129 CO -0.02 -0.02 1.13 -2.84 0.21 0.00 0.00 175.17 173.63 1f5k s PRO 130 N -3.68 2.33 0.53 8.23 0.02 -1.26 -4.98 135.00 136.19 1f5k s PRO 130 Ca 0.32 1.44 -0.21 0.00 0.02 0.00 0.00 61.00 62.57 1f5k s PRO 130 Cb -0.06 -1.89 -0.05 0.00 0.02 0.00 0.00 34.50 32.52 1f5k s PRO 130 CO 0.20 -1.62 1.24 -0.65 -0.33 0.00 0.00 177.00 175.84 1f5k s GLN 131 N -4.30 3.33 0.26 5.54 -1.52 -1.26 -4.94 119.66 116.77 1f5k s GLN 131 Ca 0.67 1.94 -0.30 0.00 -1.95 0.00 0.00 55.36 55.72 1f5k s GLN 131 Cb -0.22 -2.21 -0.10 0.00 -0.22 0.00 0.00 33.01 30.25 1f5k s GLN 131 CO 0.47 -0.95 1.49 -0.06 -0.25 0.00 0.00 175.29 175.99 1f5k s PHE 132 N -1.48 2.95 0.00 0.91 2.99 -1.26 -2.22 117.98 119.87 1f5k s PHE 132 Ca 0.70 0.94 0.00 0.00 0.00 0.00 0.00 56.93 58.57 1f5k s PHE 132 Cb -0.33 -3.89 0.00 0.00 0.00 0.00 0.00 43.02 38.80 1f5k s PHE 132 CO 0.38 -2.95 0.00 0.41 -0.00 0.00 0.00 175.22 173.06 1f5k n GLY 133 N 2.28 0.60 3.77 4.36 0.00 -0.25 -4.99 105.19 110.95 1f5k n GLY 133 Ca 0.07 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.70 1f5k n GLY 133 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1f5k s THR 134 N -2.00 3.47 0.07 2.61 2.01 -0.94 -4.67 115.64 116.19 1f5k s THR 134 Ca 0.00 1.38 -0.25 0.00 0.31 0.00 0.00 61.69 63.13 1f5k s THR 134 Cb 0.00 -3.83 -0.06 0.00 0.01 0.00 0.00 72.50 68.62 1f5k s THR 134 CO 0.00 0.25 0.76 -0.44 -0.69 0.00 0.00 174.62 174.50 1f5k s SER 135 N -1.04 7.25 0.12 3.53 0.01 -1.26 -1.29 113.70 121.01 1f5k s SER 135 Ca 0.49 1.48 0.00 0.00 1.31 0.00 0.00 55.95 59.23 1f5k s SER 135 Cb -0.30 -2.47 -0.04 0.00 0.21 0.00 0.00 66.02 63.42 1f5k s SER 135 CO 0.38 0.06 0.00 0.00 0.41 0.00 0.00 173.24 174.10 1f5k s GLU 137 N -3.95 1.71 0.07 0.00 -1.05 0.09 -0.74 118.70 114.82 1f5k s GLU 137 Ca 0.18 -1.21 0.06 0.00 -0.15 0.00 0.00 54.97 53.85 1f5k s GLU 137 Cb 0.07 -2.07 -0.03 0.00 -0.44 0.00 0.00 34.13 31.66 1f5k s GLU 137 CO -0.01 0.47 -0.17 0.96 0.95 0.00 0.00 175.26 177.46 1f5k s ILE 138 N -1.13 1.33 0.03 1.83 -4.36 -0.72 -0.54 121.20 117.63 1f5k s ILE 138 Ca 0.17 -1.26 0.03 0.00 -0.26 0.00 0.00 60.65 59.33 1f5k s ILE 138 Cb -0.10 -1.22 -0.02 0.00 1.25 0.00 0.00 42.46 42.37 1f5k s ILE 138 CO 0.09 -0.06 -0.08 -0.89 0.24 0.00 0.00 174.94 174.24 1f5k s THR 139 N -1.06 0.61 0.00 8.37 2.01 -1.23 -1.91 115.64 122.43 1f5k s THR 139 Ca 0.02 -0.85 0.00 0.00 0.31 0.00 0.00 61.69 61.17 1f5k s THR 139 Cb -0.09 -0.61 0.00 0.00 0.01 0.00 0.00 72.50 71.80 1f5k s THR 139 CO 0.02 -0.19 0.00 0.61 -0.69 0.00 0.00 174.62 174.38 1f5k n GLY 140 N 1.91 0.62 1.52 4.40 0.00 -0.65 -4.39 105.19 108.60 1f5k n GLY 140 Ca -0.19 -0.91 0.08 0.00 0.00 0.00 0.00 46.02 44.99 1f5k n GLY 140 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1f5k n PHE 141 N -0.25 1.66 -1.06 1.61 3.72 -1.26 -1.98 117.46 119.90 1f5k n PHE 141 Ca 0.00 -0.78 -0.29 0.00 -0.05 0.00 0.00 57.45 56.32 1f5k n PHE 141 Cb 0.00 -0.44 0.22 0.00 -0.94 0.00 0.00 39.48 38.32 1f5k n PHE 141 CO 0.00 0.00 0.00 0.20 -0.05 0.00 0.00 176.76 176.91 1f5k s GLY 142 N -1.21 1.57 0.46 1.37 0.00 -1.25 -4.14 107.32 104.11 1f5k s GLY 142 Ca 0.50 -0.72 -0.25 0.00 0.00 0.00 0.00 44.72 44.25 1f5k s GLY 142 CO 0.13 0.07 1.36 0.28 0.00 0.00 0.00 173.10 174.95 1f5k n LYS 143 N -4.62 2.04 0.08 2.90 4.76 0.38 -2.49 118.16 121.21 1f5k n LYS 143 Ca 0.10 0.73 0.06 0.00 -2.87 0.00 0.00 58.31 56.33 1f5k n LYS 143 Cb 0.59 -2.53 -0.02 0.00 -1.84 0.00 0.00 35.03 31.22 1f5k n LYS 143 CO 0.00 0.00 0.00 0.93 -1.37 0.00 0.00 177.40 176.96 1f5k h GLU 144 N 2.07 0.00 -3.17 1.97 5.08 -1.85 -1.46 114.58 117.22 1f5k h GLU 144 Ca -0.50 0.00 -0.13 0.00 -1.00 0.00 0.00 59.36 57.73 1f5k h GLU 144 Cb 1.28 0.00 -0.21 0.00 0.50 0.00 0.00 28.75 30.32 1f5k h GLU 144 CO 0.60 0.15 -0.36 -0.80 -1.00 0.00 0.00 179.01 177.59 1f5k s ASN 145 N -5.64 -0.15 0.52 1.42 -0.87 -1.26 -4.26 114.94 104.69 1f5k s ASN 145 Ca -0.01 0.12 0.17 0.00 -1.57 0.00 0.00 52.86 51.56 1f5k s ASN 145 Cb 0.09 0.34 1.28 0.00 -0.02 0.00 0.00 41.25 42.94 1f5k s ASN 145 CO 0.79 -0.34 2.15 0.28 -2.57 0.00 0.00 177.10 177.40 1f5k h SER 146 N 4.42 0.00 0.84 -1.22 0.02 -1.91 -1.76 113.55 113.93 1f5k h SER 146 Ca -0.29 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.66 1f5k h SER 146 Cb 1.18 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.72 1f5k h SER 146 CO 0.39 0.01 -0.11 0.35 -1.14 0.00 0.00 176.83 176.33 1f5k n THR 147 N -4.50 0.00 -2.35 -2.27 -2.24 -1.26 -4.87 114.28 96.80 1f5k n THR 147 Ca -0.03 -0.00 -0.36 0.00 -2.27 0.00 0.00 64.05 61.39 1f5k n THR 147 Cb 0.10 -0.32 -0.01 0.00 -2.10 0.00 0.00 70.33 67.99 1f5k n THR 147 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 1f5k s ASP 148 N -2.95 6.14 0.00 3.42 1.01 -0.66 -4.94 116.67 118.69 1f5k s ASP 148 Ca 0.15 2.17 0.06 0.00 0.71 0.00 0.00 52.55 55.63 1f5k s ASP 148 Cb 0.19 -2.59 -0.06 0.00 1.01 0.00 0.00 42.92 41.47 1f5k s ASP 148 CO 0.56 -0.93 0.27 0.00 0.21 0.00 0.00 175.17 175.28 1f5k n TYR 149 N -0.76 0.00 -4.33 4.23 4.11 -1.26 -4.97 117.16 114.18 1f5k n TYR 149 Ca 0.09 0.00 -0.26 0.00 -0.00 0.00 0.00 57.90 57.73 1f5k n TYR 149 Cb 0.50 0.00 -0.09 0.00 -0.00 0.00 0.00 39.34 39.74 1f5k n TYR 149 CO 0.00 0.00 0.00 -0.51 -0.00 0.00 0.00 176.86 176.35 1f5k s LEU 150 N -2.18 2.89 0.20 -3.48 1.43 -1.26 -5.14 118.68 111.13 1f5k s LEU 150 Ca 0.02 -0.68 -0.00 0.00 -1.03 0.00 0.00 54.13 52.44 1f5k s LEU 150 Cb 0.04 -1.53 -0.04 0.00 0.03 0.00 0.00 46.19 44.69 1f5k s LEU 150 CO 0.23 0.08 0.38 -0.31 0.23 0.00 0.00 176.35 176.96 1f5k s TYR 151 N -1.89 3.48 0.67 0.29 2.02 -1.26 -4.73 117.35 115.93 1f5k s TYR 151 Ca 0.26 0.31 -0.16 0.00 -0.37 0.00 0.00 57.07 57.11 1f5k s TYR 151 Cb -0.08 -1.82 0.00 0.00 -0.40 0.00 0.00 41.96 39.66 1f5k s TYR 151 CO 0.15 0.39 1.16 -1.25 -1.57 0.00 0.00 175.55 174.43 1f5k s PRO 152 N -3.35 2.63 0.27 -1.71 0.04 -1.26 -4.94 135.00 126.68 1f5k s PRO 152 Ca 0.38 1.60 0.16 0.00 0.04 0.00 0.00 61.00 63.18 1f5k s PRO 152 Cb -0.11 -1.91 0.06 0.00 0.04 0.00 0.00 34.50 32.59 1f5k s PRO 152 CO 0.29 -1.43 1.40 1.49 0.04 0.00 0.00 177.00 178.80 1f5k h GLU 153 N 0.13 0.00 -6.14 4.56 4.57 -1.97 -3.43 114.58 112.29 1f5k h GLU 153 Ca -0.48 0.00 -0.68 0.00 -1.18 0.00 0.00 59.36 57.02 1f5k h GLU 153 Cb 1.27 0.00 -0.17 0.00 -0.16 0.00 0.00 28.75 29.69 1f5k h GLU 153 CO 0.53 0.45 -0.67 -1.14 -1.18 0.00 0.00 179.01 177.00 1f5k s GLN 154 N -2.98 2.77 0.46 1.92 2.00 -1.26 -1.10 119.66 121.46 1f5k s GLN 154 Ca 0.04 -0.56 -0.25 0.00 -2.00 0.00 0.00 55.36 52.59 1f5k s GLN 154 Cb 0.07 -2.63 -0.08 0.00 0.80 0.00 0.00 33.01 31.17 1f5k s GLN 154 CO 0.75 0.65 1.40 -0.11 -0.50 0.00 0.00 175.29 177.48 1f5k n LEU 155 N 1.93 4.98 -4.41 3.68 7.94 -0.94 -4.88 117.00 125.29 1f5k n LEU 155 Ca -0.17 1.10 -0.21 0.00 -1.11 0.00 0.00 56.01 55.62 1f5k n LEU 155 Cb 0.53 -1.58 -0.10 0.00 0.53 0.00 0.00 43.42 42.79 1f5k n LEU 155 CO 0.29 -0.29 -0.40 -0.54 -1.11 0.00 0.00 177.39 175.34 1f5k s LYS 156 N -2.45 1.51 0.06 1.96 1.02 -0.84 -1.03 119.74 119.96 1f5k s LYS 156 Ca 0.62 -1.73 -0.12 0.00 0.02 0.00 0.00 55.97 54.76 1f5k s LYS 156 Cb -0.46 -1.24 0.02 0.00 -0.52 0.00 0.00 37.83 35.63 1f5k s LYS 156 CO 0.57 0.12 0.28 0.00 -0.92 0.00 0.00 175.35 175.39 1f5k s MET 157 N -3.67 0.82 0.26 1.68 0.23 -0.99 -1.64 119.30 115.99 1f5k s MET 157 Ca 0.27 -0.61 -0.14 0.00 -1.03 0.00 0.00 55.69 54.19 1f5k s MET 157 Cb 0.01 0.35 0.00 0.00 -1.53 0.00 0.00 34.83 33.66 1f5k s MET 157 CO 0.11 -0.26 0.53 -0.08 -2.03 0.00 0.00 175.02 173.28 1f5k s THR 158 N -2.85 0.00 -0.10 3.16 -1.32 -0.80 -1.58 115.64 112.14 1f5k s THR 158 Ca -0.03 -1.34 0.03 0.00 -1.21 0.00 0.00 61.69 59.14 1f5k s THR 158 Cb 0.00 -2.23 -0.00 0.00 -1.51 0.00 0.00 72.50 68.76 1f5k s THR 158 CO -0.05 0.00 -0.22 -0.69 -2.21 0.00 0.00 174.62 171.45 1f5k s VAL 159 N -3.88 2.26 0.21 5.08 1.01 -1.26 -1.76 120.40 122.07 1f5k s VAL 159 Ca 0.21 -0.95 0.05 0.00 0.00 0.00 0.00 61.98 61.29 1f5k s VAL 159 Cb -0.02 -1.88 -0.05 0.00 0.00 0.00 0.00 36.38 34.43 1f5k s VAL 159 CO 0.09 0.55 -0.05 0.68 0.00 0.00 0.00 175.10 176.38 1f5k s VAL 160 N 0.29 1.22 -0.04 2.92 -7.23 0.08 -4.82 120.40 112.83 1f5k s VAL 160 Ca -0.16 -2.07 0.02 0.00 -1.81 0.00 0.00 61.98 57.96 1f5k s VAL 160 Cb -0.17 -2.21 -0.03 0.00 0.56 0.00 0.00 36.38 34.53 1f5k s VAL 160 CO 0.08 -0.45 -0.07 -0.54 -0.31 0.00 0.00 175.10 173.80 1f5k s LYS 161 N -3.79 2.65 0.28 4.82 1.02 -0.45 -0.56 119.74 123.71 1f5k s LYS 161 Ca 0.25 -0.63 -0.29 0.00 0.02 0.00 0.00 55.97 55.32 1f5k s LYS 161 Cb 0.04 -2.54 -0.10 0.00 -0.52 0.00 0.00 37.83 34.71 1f5k s LYS 161 CO 0.07 0.64 1.30 -0.51 -0.92 0.00 0.00 175.35 175.93 1f5k s LEU 162 N -1.03 4.43 -0.07 3.17 1.02 -0.41 -1.21 118.68 124.58 1f5k s LEU 162 Ca 0.14 2.56 0.04 0.00 0.02 0.00 0.00 54.13 56.88 1f5k s LEU 162 Cb -0.11 -3.63 -0.02 0.00 0.02 0.00 0.00 46.19 42.45 1f5k s LEU 162 CO 0.04 -0.51 -0.18 -0.63 0.02 0.00 0.00 176.35 175.09 1f5k s ILE 163 N -0.65 2.70 0.94 -0.59 1.01 -1.20 -1.09 121.20 122.32 1f5k s ILE 163 Ca 0.52 -0.83 -0.11 0.00 0.00 0.00 0.00 60.65 60.23 1f5k s ILE 163 Cb -0.38 -2.06 0.16 0.00 0.01 0.00 0.00 42.46 40.19 1f5k s ILE 163 CO 0.46 0.57 1.12 -0.94 0.00 0.00 0.00 174.94 176.15 1f5k s SER 164 N -0.26 2.77 0.27 3.58 1.04 -1.26 -4.09 113.70 115.75 1f5k s SER 164 Ca 0.01 2.02 0.02 0.00 0.48 0.00 0.00 55.95 58.48 1f5k s SER 164 Cb -0.13 -2.51 0.38 0.00 0.10 0.00 0.00 66.02 63.86 1f5k s SER 164 CO 0.03 -3.17 1.70 -0.74 0.98 0.00 0.00 173.24 172.04 1f5k h HIS 165 N -1.92 0.56 -0.38 5.02 2.76 -1.98 -2.28 115.15 116.92 1f5k h HIS 165 Ca -0.46 -0.12 -0.01 0.00 -2.20 0.00 0.00 60.37 57.57 1f5k h HIS 165 Cb 1.28 -0.13 -0.02 0.00 1.55 0.00 0.00 27.41 30.08 1f5k h HIS 165 CO 0.47 0.72 0.19 -0.09 -1.30 0.00 0.00 177.93 177.92 1f5k h ARG 166 N 0.43 0.55 -0.32 5.26 2.43 -1.97 -1.17 114.38 119.60 1f5k h ARG 166 Ca 0.06 -0.08 -0.12 0.00 -0.81 0.00 0.00 59.98 59.03 1f5k h ARG 166 Cb 0.70 -0.10 -0.01 0.00 -0.42 0.00 0.00 29.97 30.15 1f5k h ARG 166 CO 0.05 0.49 -0.29 1.49 -1.51 0.00 0.00 179.97 180.20 1f5k h GLU 167 N 0.48 0.76 0.00 0.20 4.81 -1.91 -3.08 114.58 115.85 1f5k h GLU 167 Ca 0.13 -0.39 0.00 0.00 -0.13 0.00 0.00 59.36 58.97 1f5k h GLU 167 Cb 0.11 0.01 0.00 0.00 0.63 0.00 0.00 28.75 29.50 1f5k h GLU 167 CO -0.02 1.01 0.00 0.00 -0.73 0.00 0.00 179.01 179.28 1f5k n GLN 169 N -2.79 2.00 -2.03 0.00 7.27 -0.45 -2.24 117.38 119.13 1f5k n GLN 169 Ca 0.02 -1.48 -0.35 0.00 0.07 0.00 0.00 57.00 55.25 1f5k n GLN 169 Cb 0.30 -1.45 0.03 0.00 2.41 0.00 0.00 30.24 31.53 1f5k n GLN 169 CO 0.00 0.00 0.00 -0.65 0.07 0.00 0.00 177.06 176.48 1f5k s GLN 170 N -1.82 3.04 0.23 3.69 -1.52 -0.99 -3.57 119.66 118.73 1f5k s GLN 170 Ca 0.34 1.67 -0.06 0.00 -1.95 0.00 0.00 55.36 55.37 1f5k s GLN 170 Cb 0.20 -1.96 0.40 0.00 -0.22 0.00 0.00 33.01 31.44 1f5k s GLN 170 CO 0.30 -1.11 1.73 -1.35 -0.25 0.00 0.00 175.29 174.61 1f5k h PRO 170 N 0.80 0.42 0.00 2.91 0.11 -1.91 -1.37 132.00 132.96 1f5k h PRO 170 Ca -0.50 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.59 1f5k h PRO 170 Cb 1.28 -0.10 0.00 0.00 0.11 0.00 0.00 31.00 32.29 1f5k h PRO 170 CO 0.55 0.28 0.00 0.72 -0.21 0.00 0.00 178.00 179.34 1f5k n HIS 170 N -5.00 0.30 0.00 0.65 8.25 -1.26 -4.43 115.22 113.73 1f5k n HIS 170 Ca 0.13 0.11 0.00 0.00 -0.26 0.00 0.00 57.72 57.69 1f5k n HIS 170 Cb 0.37 -0.67 0.00 0.00 1.12 0.00 0.00 29.99 30.81 1f5k n HIS 170 CO 0.00 0.00 0.00 0.66 0.64 0.00 0.00 176.34 177.64 1f5k n TYR 171 N -1.77 0.00 -0.06 4.41 4.02 -0.61 -4.79 117.16 118.36 1f5k n TYR 171 Ca 0.04 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.93 1f5k n TYR 171 Cb 0.25 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 39.57 1f5k n TYR 171 CO 0.00 0.00 0.00 0.66 -1.01 0.00 0.00 176.86 176.51 1f5k n TYR 172 N 0.00 0.00 -4.97 -0.72 4.01 -0.95 -4.88 117.16 109.64 1f5k n TYR 172 Ca 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.74 1f5k n TYR 172 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.03 1f5k n TYR 172 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1f5k n GLY 173 N 0.51 2.62 0.00 2.72 0.00 -0.64 -2.40 105.19 108.00 1f5k n GLY 173 Ca 0.00 -0.41 0.10 0.00 0.00 0.00 0.00 46.02 45.70 1f5k n GLY 173 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1f5k n SER 174 N 0.41 0.00 -0.00 1.61 7.64 -1.26 -3.65 113.62 118.37 1f5k n SER 174 Ca 0.00 -1.20 -0.04 0.00 1.01 0.00 0.00 58.87 58.64 1f5k n SER 174 Cb 0.00 0.00 0.19 0.00 -1.01 0.00 0.00 64.21 63.39 1f5k n SER 174 CO 0.00 0.00 0.00 -0.33 -3.01 0.00 0.00 175.04 171.70 1f5k h GLU 175 N 0.00 0.54 -6.29 1.43 5.08 -1.86 -3.42 114.58 110.05 1f5k h GLU 175 Ca 0.00 -0.19 -0.55 0.00 -1.00 0.00 0.00 59.36 57.62 1f5k h GLU 175 Cb 0.00 -0.04 -0.04 0.00 0.50 0.00 0.00 28.75 29.17 1f5k h GLU 175 CO 0.00 0.72 0.12 0.14 -1.00 0.00 0.00 179.01 178.99 1f5k s VAL 176 N -4.56 4.71 0.55 3.13 -7.23 -1.24 -4.88 120.40 110.88 1f5k s VAL 176 Ca -0.07 1.54 0.04 0.00 -1.81 0.00 0.00 61.98 61.68 1f5k s VAL 176 Cb 0.14 -4.07 0.03 0.00 0.56 0.00 0.00 36.38 33.04 1f5k s VAL 176 CO 0.80 0.41 0.33 0.42 -0.31 0.00 0.00 175.10 176.75 1f5k s THR 177 N -0.31 1.49 -0.72 5.32 -4.23 -1.26 -4.97 115.64 110.96 1f5k s THR 177 Ca 0.36 -1.59 0.23 0.00 -1.18 0.00 0.00 61.69 59.51 1f5k s THR 177 Cb -0.20 -2.08 0.23 0.00 1.34 0.00 0.00 72.50 71.79 1f5k s THR 177 CO 0.22 0.00 1.71 0.35 -0.54 0.00 0.00 174.62 176.36 1f5k n THR 178 N -1.70 0.69 1.23 3.99 -2.24 -1.26 -1.99 114.28 113.00 1f5k n THR 178 Ca -0.05 0.07 0.07 0.00 -2.27 0.00 0.00 64.05 61.87 1f5k n THR 178 Cb 0.65 -0.90 0.25 0.00 -2.10 0.00 0.00 70.33 68.23 1f5k n THR 178 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 1f5k n LYS 179 N -1.99 1.62 -4.34 -0.78 5.02 -1.26 -4.86 118.16 111.57 1f5k n LYS 179 Ca 0.04 -0.95 -0.21 0.00 -2.02 0.00 0.00 58.31 55.17 1f5k n LYS 179 Cb 0.28 -1.28 -0.11 0.00 -0.02 0.00 0.00 35.03 33.90 1f5k n LYS 179 CO 0.00 0.00 0.00 -1.64 -0.52 0.00 0.00 177.40 175.24 1f5k s MET 180 N -1.71 1.29 -0.08 1.97 -1.94 -0.84 -1.37 119.30 116.62 1f5k s MET 180 Ca 0.24 -1.45 0.02 0.00 -1.71 0.00 0.00 55.69 52.80 1f5k s MET 180 Cb 0.13 -1.30 0.01 0.00 2.01 0.00 0.00 34.83 35.68 1f5k s MET 180 CO 0.18 0.25 -0.15 -0.51 -0.01 0.00 0.00 175.02 174.79 1f5k s LEU 181 N -2.81 1.72 0.70 -0.03 1.43 0.13 -4.77 118.68 115.04 1f5k s LEU 181 Ca 0.17 -0.37 -0.05 0.00 -1.03 0.00 0.00 54.13 52.86 1f5k s LEU 181 Cb -0.05 -0.98 0.08 0.00 0.03 0.00 0.00 46.19 45.27 1f5k s LEU 181 CO 0.07 0.05 0.99 0.00 0.23 0.00 0.00 176.35 177.68 1f5k n ALA 183 N -2.86 0.00 -3.51 0.00 0.00 -0.99 -3.24 120.51 109.90 1f5k n ALA 183 Ca 0.10 0.00 -0.11 0.00 0.00 0.00 0.00 53.44 53.43 1f5k n ALA 183 Cb 0.60 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.05 1f5k n ALA 183 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1f5k s ALA 184 N 0.00 -0.27 -0.22 0.00 0.00 -0.35 -2.42 121.76 118.50 1f5k s ALA 184 Ca 0.00 -0.99 -0.22 0.00 0.00 0.00 0.00 51.96 50.75 1f5k s ALA 184 Cb 0.00 0.84 -0.02 0.00 0.00 0.00 0.00 23.12 23.94 1f5k s ALA 184 CO 0.00 -0.93 0.71 0.34 0.00 0.00 0.00 175.76 175.88 1f5k s ASP 185 N -3.12 6.73 0.64 0.00 2.15 -1.26 -1.34 116.67 120.48 1f5k s ASP 185 Ca 0.20 0.90 0.14 0.00 0.43 0.00 0.00 52.55 54.22 1f5k s ASP 185 Cb -0.04 -2.38 0.59 0.00 -0.30 0.00 0.00 42.92 40.79 1f5k s ASP 185 CO 0.14 -0.37 1.27 1.55 -0.17 0.00 0.00 175.17 177.59 1f5k h PRO 185 N 7.61 0.00 -0.02 4.34 0.13 -1.97 0.19 132.00 142.28 1f5k h PRO 185 Ca -0.28 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.85 1f5k h PRO 185 Cb 1.12 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.25 1f5k h PRO 185 CO 0.81 0.00 -0.16 1.04 -0.23 0.00 0.00 178.00 179.46 1f5k n GLN 185 N -2.87 1.54 -2.81 0.86 6.02 -1.26 -5.03 117.38 113.83 1f5k n GLN 185 Ca 0.08 -1.22 -0.22 0.00 -0.01 0.00 0.00 57.00 55.62 1f5k n GLN 185 Cb 1.07 -1.32 0.02 0.00 1.02 0.00 0.00 30.24 31.03 1f5k n GLN 185 CO 0.00 0.00 0.00 0.91 -1.01 0.00 0.00 177.06 176.96 1f5k n TRP 186 N 0.49 -1.65 -0.05 1.08 7.02 0.67 -4.90 117.44 120.09 1f5k n TRP 186 Ca 0.09 0.35 -0.00 0.00 -1.02 0.00 0.00 57.50 56.92 1f5k n TRP 186 Cb 0.40 -4.34 -0.16 0.00 -2.42 0.00 0.00 31.31 24.79 1f5k n TRP 186 CO 0.00 0.00 0.00 1.63 -2.02 0.00 0.00 177.69 177.30 1f5k n LYS 187 N -3.69 0.67 -4.21 -0.99 4.76 -1.26 -4.63 118.16 108.81 1f5k n LYS 187 Ca -0.16 -0.08 -0.20 0.00 -2.87 0.00 0.00 58.31 55.00 1f5k n LYS 187 Cb 0.64 -1.54 -0.12 0.00 -1.84 0.00 0.00 35.03 32.17 1f5k n LYS 187 CO 0.00 0.00 0.00 -0.08 -1.37 0.00 0.00 177.40 175.95 1f5k s THR 188 N -2.97 1.28 -0.04 -0.18 -1.32 -1.26 -4.48 115.64 106.66 1f5k s THR 188 Ca -0.09 -1.36 -0.31 0.00 -1.21 0.00 0.00 61.69 58.72 1f5k s THR 188 Cb 0.10 -1.20 0.13 0.00 -1.51 0.00 0.00 72.50 70.01 1f5k s THR 188 CO 0.86 -0.18 1.30 -0.62 -2.21 0.00 0.00 174.62 173.78 1f5k s ASP 189 N -1.77 -0.05 0.71 8.08 2.15 -1.14 -3.98 116.67 120.67 1f5k s ASP 189 Ca 0.00 -0.11 -0.08 0.00 0.43 0.00 0.00 52.55 52.79 1f5k s ASP 189 Cb -0.10 0.14 0.05 0.00 -0.30 0.00 0.00 42.92 42.71 1f5k s ASP 189 CO 0.03 -0.26 1.04 -0.94 -0.17 0.00 0.00 175.17 174.87 1f5k s SER 190 N -2.93 4.91 0.03 -0.34 1.04 -1.26 -0.54 113.70 114.62 1f5k s SER 190 Ca 0.14 0.62 -0.01 0.00 0.48 0.00 0.00 55.95 57.19 1f5k s SER 190 Cb 0.05 -1.30 0.00 0.00 0.10 0.00 0.00 66.02 64.87 1f5k s SER 190 CO -0.04 -1.57 0.05 0.00 0.98 0.00 0.00 173.24 172.66 1f5k n GLN 192 N -0.05 2.10 0.00 0.00 7.27 -1.26 -1.31 117.38 124.13 1f5k n GLN 192 Ca -0.00 0.76 0.00 0.00 0.07 0.00 0.00 57.00 57.82 1f5k n GLN 192 Cb 0.05 -2.51 0.00 0.00 2.41 0.00 0.00 30.24 30.18 1f5k n GLN 192 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 1f5k n GLY 193 N 3.30 2.95 0.09 1.69 0.00 -1.26 -0.47 105.19 111.48 1f5k n GLY 193 Ca 0.17 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.31 1f5k n GLY 193 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1f5k h ASP 194 N 0.00 0.00 -2.06 1.61 3.32 -1.52 -3.33 116.42 114.43 1f5k h ASP 194 Ca 0.00 -0.14 -0.62 0.00 0.02 0.00 0.00 57.03 56.28 1f5k h ASP 194 Cb 0.00 0.00 0.11 0.00 0.22 0.00 0.00 39.33 39.66 1f5k h ASP 194 CO 0.00 0.07 -0.04 -1.20 -1.72 0.00 0.00 179.24 176.35 1f5k n SER 195 N -2.26 0.62 0.00 6.45 7.64 -1.26 -1.54 113.62 123.26 1f5k n SER 195 Ca 0.03 1.17 0.00 0.00 1.01 0.00 0.00 58.87 61.08 1f5k n SER 195 Cb 0.46 -1.20 0.00 0.00 -1.01 0.00 0.00 64.21 62.46 1f5k n SER 195 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1f5k n GLY 196 N 1.45 2.64 3.67 0.23 0.00 0.02 -1.10 105.19 112.11 1f5k n GLY 196 Ca 0.12 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.85 1f5k n GLY 196 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1f5k s GLY 197 N -1.88 1.57 0.20 -0.02 0.00 -0.59 -3.18 107.32 103.42 1f5k s GLY 197 Ca 0.00 -0.35 -0.12 0.00 0.00 0.00 0.00 44.72 44.24 1f5k s GLY 197 CO 0.00 0.26 0.57 2.56 0.00 0.00 0.00 173.10 176.49 1f5k s PRO 198 N -4.96 3.91 -0.35 2.90 0.04 -1.26 -1.10 135.00 134.19 1f5k s PRO 198 Ca 0.65 0.42 -0.01 0.00 0.04 0.00 0.00 61.00 62.11 1f5k s PRO 198 Cb -0.19 -2.76 0.08 0.00 0.04 0.00 0.00 34.50 31.68 1f5k s PRO 198 CO 0.58 0.37 0.10 -1.17 0.04 0.00 0.00 177.00 176.92 1f5k s LEU 199 N -2.43 4.63 -0.18 -3.56 2.96 -0.02 -3.50 118.68 116.58 1f5k s LEU 199 Ca 0.44 -1.76 -0.07 0.00 -0.22 0.00 0.00 54.13 52.52 1f5k s LEU 199 Cb -0.13 -1.75 -0.04 0.00 0.50 0.00 0.00 46.19 44.77 1f5k s LEU 199 CO 0.20 -0.40 0.06 -0.69 -1.32 0.00 0.00 176.35 174.19 1f5k s VAL 200 N 1.14 4.78 -0.02 1.68 1.01 0.29 -1.33 120.40 127.95 1f5k s VAL 200 Ca 0.03 -0.04 0.05 0.00 0.00 0.00 0.00 61.98 62.03 1f5k s VAL 200 Cb -0.21 -3.15 -0.01 0.00 0.00 0.00 0.00 36.38 33.01 1f5k s VAL 200 CO -0.04 0.46 -0.18 0.00 0.00 0.00 0.00 175.10 175.35 1f5k s SER 202 N -0.27 6.51 -0.36 0.00 0.15 -1.26 -1.26 113.70 117.21 1f5k s SER 202 Ca 0.03 0.80 -0.00 0.00 0.70 0.00 0.00 55.95 57.48 1f5k s SER 202 Cb -0.09 -2.54 0.09 0.00 -1.71 0.00 0.00 66.02 61.77 1f5k s SER 202 CO 0.00 -1.29 0.10 -0.22 1.20 0.00 0.00 173.24 173.03 1f5k s LEU 203 N 4.87 4.72 -0.07 3.45 0.20 0.86 -4.84 118.68 127.86 1f5k s LEU 203 Ca 0.56 -1.87 -0.05 0.00 0.69 0.00 0.00 54.13 53.46 1f5k s LEU 203 Cb -0.12 -1.73 0.02 0.00 -0.43 0.00 0.00 46.19 43.93 1f5k s LEU 203 CO 0.30 -0.41 0.11 0.00 -0.29 0.00 0.00 176.35 176.05 1f5k n GLN 204 N 4.49 -3.98 0.00 1.98 6.02 -1.26 -3.29 117.38 121.34 1f5k n GLN 204 Ca -0.03 2.97 0.00 0.00 -0.01 0.00 0.00 57.00 59.92 1f5k n GLN 204 Cb 0.42 -3.98 0.00 0.00 1.02 0.00 0.00 30.24 27.70 1f5k n GLN 204 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1f5k n GLY 205 N 1.91 0.00 3.64 1.08 0.00 -1.26 -4.76 105.19 105.80 1f5k n GLY 205 Ca -0.18 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.50 1f5k n GLY 205 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1f5k s ARG 206 N 0.00 3.93 -0.06 1.61 3.52 -1.21 -5.05 118.95 121.69 1f5k s ARG 206 Ca 0.00 -0.34 -0.30 0.00 -0.13 0.00 0.00 55.73 54.96 1f5k s ARG 206 Cb 0.00 -3.20 -0.04 0.00 -1.56 0.00 0.00 34.95 30.15 1f5k s ARG 206 CO 0.00 0.30 1.45 -1.64 -0.81 0.00 0.00 175.30 174.60 1f5k s MET 207 N 0.29 4.24 0.03 5.12 -1.94 -1.26 -0.10 119.30 125.67 1f5k s MET 207 Ca 0.03 1.96 0.07 0.00 -1.71 0.00 0.00 55.69 56.04 1f5k s MET 207 Cb -0.12 -3.76 -0.02 0.00 2.01 0.00 0.00 34.83 32.94 1f5k s MET 207 CO 0.00 -0.70 -0.20 0.99 -0.01 0.00 0.00 175.02 175.10 1f5k s THR 208 N 3.23 1.62 -0.88 2.05 2.01 -0.39 -3.58 115.64 119.71 1f5k s THR 208 Ca 0.64 -1.10 -0.22 0.00 0.31 0.00 0.00 61.69 61.32 1f5k s THR 208 Cb -0.29 -1.40 0.08 0.00 0.01 0.00 0.00 72.50 70.90 1f5k s THR 208 CO 0.24 0.26 1.23 -0.22 -0.69 0.00 0.00 174.62 175.44 1f5k s LEU 209 N -0.99 4.09 0.02 4.42 1.98 0.04 -1.45 118.68 126.79 1f5k s LEU 209 Ca 0.07 -1.38 -0.03 0.00 -2.89 0.00 0.00 54.13 49.90 1f5k s LEU 209 Cb -0.08 -2.49 -0.28 0.00 0.66 0.00 0.00 46.19 44.00 1f5k s LEU 209 CO 0.01 -1.41 0.91 0.74 -1.89 0.00 0.00 176.35 174.70 1f5k h THR 210 N 6.22 1.21 -3.94 3.68 2.02 -1.53 -3.39 112.91 117.18 1f5k h THR 210 Ca 0.01 -2.84 -0.11 0.00 0.77 0.00 0.00 66.41 64.24 1f5k h THR 210 Cb 1.03 2.79 -0.12 0.00 -1.74 0.00 0.00 68.15 70.11 1f5k h THR 210 CO 1.26 0.83 -0.30 -0.83 0.37 0.00 0.00 175.52 176.84 1f5k s GLY 211 N -4.90 0.70 -0.08 2.16 0.00 -0.91 -2.59 107.32 101.69 1f5k s GLY 211 Ca -0.08 -1.05 0.03 0.00 0.00 0.00 0.00 44.72 43.62 1f5k s GLY 211 CO 0.86 -0.87 -0.18 -0.42 0.00 0.00 0.00 173.10 172.49 1f5k s ILE 212 N -4.03 1.60 -0.05 0.90 1.01 -1.05 -0.84 121.20 118.74 1f5k s ILE 212 Ca 0.24 -0.75 -0.32 0.00 0.00 0.00 0.00 60.65 59.82 1f5k s ILE 212 Cb 0.02 -1.41 -0.10 0.00 0.01 0.00 0.00 42.46 40.98 1f5k s ILE 212 CO 0.06 0.46 1.95 0.52 0.00 0.00 0.00 174.94 177.93 1f5k n VAL 213 N 3.66 0.64 0.04 2.92 0.31 -0.25 -1.17 118.33 124.48 1f5k n VAL 213 Ca -0.21 -0.15 -0.01 0.00 -0.01 0.00 0.00 64.34 63.97 1f5k n VAL 213 Cb 0.52 -2.10 -0.00 0.00 -0.91 0.00 0.00 33.84 31.35 1f5k n VAL 213 CO 0.00 0.00 0.00 -0.24 -1.32 0.00 0.00 176.83 175.27 1f5k n SER 214 N 7.43 1.05 -3.21 4.52 2.88 -0.91 -0.80 113.62 124.58 1f5k n SER 214 Ca 0.22 0.14 -0.10 0.00 -1.33 0.00 0.00 58.87 57.80 1f5k n SER 214 Cb 0.35 -0.33 -0.00 0.00 -0.75 0.00 0.00 64.21 63.47 1f5k n SER 214 CO 0.00 0.00 0.00 -1.66 -1.23 0.00 0.00 175.04 172.15 1f5k s TRP 215 N -1.95 0.35 0.00 0.66 1.48 -0.85 -4.94 118.94 113.69 1f5k s TRP 215 Ca -0.02 -0.86 0.00 0.00 -1.06 0.00 0.00 56.10 54.16 1f5k s TRP 215 Cb 0.00 0.53 0.00 0.00 -1.16 0.00 0.00 33.47 32.84 1f5k s TRP 215 CO 0.02 -1.37 0.00 0.41 -4.06 0.00 0.00 176.95 171.95 1f5k n GLY 216 N -0.52 2.15 3.61 3.67 0.00 -1.26 -0.39 105.19 112.46 1f5k n GLY 216 Ca -0.05 -0.39 -0.43 0.00 0.00 0.00 0.00 46.02 45.16 1f5k n GLY 216 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1f5k s ARG 217 N -1.96 3.92 2.98 1.61 6.06 -1.26 -4.87 118.95 125.42 1f5k s ARG 217 Ca 0.00 0.71 0.00 0.00 -2.50 0.00 0.00 55.73 53.94 1f5k s ARG 217 Cb 0.00 -3.77 0.00 0.00 0.06 0.00 0.00 34.95 31.24 1f5k s ARG 217 CO 0.00 -0.89 0.00 0.41 -2.50 0.00 0.00 175.30 172.32 1f5k n GLY 219 N 4.22 0.55 2.72 8.12 0.00 -1.26 -4.60 105.19 114.93 1f5k n GLY 219 Ca 0.08 -0.88 -0.18 0.00 0.00 0.00 0.00 46.02 45.04 1f5k n GLY 219 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1f5k n ALA 221 N 4.87 -0.85 -2.16 0.00 0.00 -1.26 -4.93 120.51 116.18 1f5k n ALA 221 Ca -0.13 0.24 -0.39 0.00 0.00 0.00 0.00 53.44 53.16 1f5k n ALA 221 Cb 0.50 -3.20 -0.06 0.00 0.00 0.00 0.00 19.45 16.69 1f5k n ALA 221 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1f5k s LEU 222 N -6.43 4.54 0.20 0.00 1.43 -1.26 -4.69 118.68 112.46 1f5k s LEU 222 Ca 0.19 1.41 -0.32 0.00 -1.03 0.00 0.00 54.13 54.38 1f5k s LEU 222 Cb -0.09 -3.10 -0.13 0.00 0.03 0.00 0.00 46.19 42.91 1f5k s LEU 222 CO 0.24 0.23 1.65 1.17 0.23 0.00 0.00 176.35 179.87 1f5k n LYS 223 N 1.58 2.52 -1.30 1.70 4.81 -1.26 -1.90 118.16 124.30 1f5k n LYS 223 Ca -0.08 0.91 -0.10 0.00 -0.87 0.00 0.00 58.31 58.16 1f5k n LYS 223 Cb 0.50 -2.71 -0.04 0.00 0.02 0.00 0.00 35.03 32.79 1f5k n LYS 223 CO 0.00 0.00 0.00 -0.25 1.17 0.00 0.00 177.40 178.32 1f5k n ASP 223 N 3.54 -4.71 -3.63 3.14 8.00 -1.26 -4.94 116.55 116.69 1f5k n ASP 223 Ca 0.16 0.26 -0.27 0.00 0.71 0.00 0.00 54.79 55.64 1f5k n ASP 223 Cb 0.33 -3.13 -0.11 0.00 -0.02 0.00 0.00 41.12 38.18 1f5k n ASP 223 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 1f5k n LYS 224 N -2.10 1.06 -1.20 -1.24 4.76 -0.80 -4.11 118.16 114.53 1f5k n LYS 224 Ca -0.10 -3.85 -0.31 0.00 -2.87 0.00 0.00 58.31 51.17 1f5k n LYS 224 Cb 0.42 -1.97 0.10 0.00 -1.84 0.00 0.00 35.03 31.74 1f5k n LYS 224 CO 0.00 0.00 0.00 -2.14 -1.37 0.00 0.00 177.40 173.89 1f5k s PRO 225 N -0.79 2.11 0.35 1.97 0.02 -1.26 -4.37 135.00 133.03 1f5k s PRO 225 Ca 0.29 1.23 -0.26 0.00 0.02 0.00 0.00 61.00 62.28 1f5k s PRO 225 Cb 0.01 -1.88 -0.09 0.00 0.02 0.00 0.00 34.50 32.56 1f5k s PRO 225 CO -0.18 -1.76 1.08 0.20 -0.33 0.00 0.00 177.00 176.01 1f5k s GLY 226 N -3.27 2.89 -0.12 0.52 0.00 -1.02 -4.63 107.32 101.71 1f5k s GLY 226 Ca 0.62 0.82 -0.00 0.00 0.00 0.00 0.00 44.72 46.15 1f5k s GLY 226 CO 0.56 1.33 -0.10 0.14 0.00 0.00 0.00 173.10 175.03 1f5k s VAL 227 N -1.42 3.37 0.11 1.40 1.01 0.48 -2.35 120.40 123.00 1f5k s VAL 227 Ca 0.52 -0.56 0.09 0.00 0.00 0.00 0.00 61.98 62.03 1f5k s VAL 227 Cb -0.27 -2.41 -0.04 0.00 0.00 0.00 0.00 36.38 33.66 1f5k s VAL 227 CO 0.35 0.54 -0.23 -0.31 0.00 0.00 0.00 175.10 175.44 1f5k s TYR 228 N 0.03 2.00 -0.01 5.22 1.51 0.97 -2.02 117.35 125.06 1f5k s TYR 228 Ca -0.03 -0.40 -0.30 0.00 -1.01 0.00 0.00 57.07 55.33 1f5k s TYR 228 Cb -0.14 -1.10 -0.05 0.00 -0.11 0.00 0.00 41.96 40.56 1f5k s TYR 228 CO 0.04 0.25 1.35 0.99 -1.11 0.00 0.00 175.55 177.06 1f5k s THR 229 N -1.09 3.82 -0.88 -0.71 2.01 -0.32 0.18 115.64 118.65 1f5k s THR 229 Ca 0.09 1.20 -0.25 0.00 0.31 0.00 0.00 61.69 63.05 1f5k s THR 229 Cb -0.10 -3.77 0.01 0.00 0.01 0.00 0.00 72.50 68.65 1f5k s THR 229 CO 0.05 0.00 1.57 -0.60 -0.69 0.00 0.00 174.62 174.95 1f5k s ARG 230 N 2.28 3.15 0.29 4.92 3.52 -0.47 -2.53 118.95 130.11 1f5k s ARG 230 Ca 0.62 -0.52 0.04 0.00 -0.13 0.00 0.00 55.73 55.74 1f5k s ARG 230 Cb -0.30 -4.90 0.69 0.00 -1.56 0.00 0.00 34.95 28.88 1f5k s ARG 230 CO 0.26 -2.52 1.77 0.28 -0.81 0.00 0.00 175.30 174.27 1f5k h VAL 231 N 6.74 0.69 0.00 7.11 2.07 -1.80 -1.14 116.25 129.91 1f5k h VAL 231 Ca 0.01 -0.24 0.00 0.00 0.82 0.00 0.00 66.70 67.29 1f5k h VAL 231 Cb 1.04 -0.07 0.00 0.00 -1.52 0.00 0.00 31.29 30.74 1f5k h VAL 231 CO 1.32 0.13 0.00 0.77 0.02 0.00 0.00 177.57 179.81 1f5k h SER 232 N 0.70 0.00 0.25 0.57 4.64 -1.87 -0.77 113.55 117.07 1f5k h SER 232 Ca 0.55 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.87 1f5k h SER 232 Cb 0.85 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.94 1f5k h SER 232 CO -0.39 0.00 -0.21 1.41 -0.87 0.00 0.00 176.83 176.77 1f5k n HIS 233 N -3.07 0.00 -0.82 4.77 8.25 -0.43 -3.75 115.22 120.16 1f5k n HIS 233 Ca -0.02 0.00 0.08 0.00 -0.26 0.00 0.00 57.72 57.51 1f5k n HIS 233 Cb 0.11 -0.13 0.15 0.00 1.12 0.00 0.00 29.99 31.24 1f5k n HIS 233 CO 0.00 0.00 0.00 1.19 0.64 0.00 0.00 176.34 178.17 1f5k n PHE 234 N -0.66 0.26 -0.31 4.41 3.01 -0.30 -4.78 117.46 119.09 1f5k n PHE 234 Ca 0.13 -0.86 -0.02 0.00 1.01 0.00 0.00 57.45 57.71 1f5k n PHE 234 Cb 0.33 -0.17 0.10 0.00 -0.01 0.00 0.00 39.48 39.74 1f5k n PHE 234 CO 0.00 0.00 0.00 -0.07 1.01 0.00 0.00 176.76 177.70 1f5k h LEU 235 N 0.57 0.94 -0.75 4.37 3.38 -1.69 -0.59 115.31 121.54 1f5k h LEU 235 Ca 0.00 -0.01 -0.05 0.00 0.09 0.00 0.00 57.88 57.91 1f5k h LEU 235 Cb 1.01 -0.22 -0.03 0.00 0.09 0.00 0.00 40.66 41.51 1f5k h LEU 235 CO 0.05 0.66 0.28 -0.65 0.09 0.00 0.00 178.44 178.88 1f5k h PRO 236 N 1.11 1.14 -0.48 1.13 0.11 -1.91 -0.40 132.00 132.70 1f5k h PRO 236 Ca 0.33 -0.22 -0.07 0.00 0.11 0.00 0.00 66.00 66.15 1f5k h PRO 236 Cb -0.04 -0.18 -0.02 0.00 0.11 0.00 0.00 31.00 30.87 1f5k h PRO 236 CO -0.10 0.94 0.03 2.35 -0.21 0.00 0.00 178.00 181.01 1f5k h TRP 237 N 1.10 0.89 0.10 0.65 7.01 -1.82 -1.72 115.95 122.16 1f5k h TRP 237 Ca 0.25 -0.14 -0.01 0.00 2.11 0.00 0.00 58.89 61.10 1f5k h TRP 237 Cb 0.24 -0.24 0.00 0.00 -2.10 0.00 0.00 29.16 27.07 1f5k h TRP 237 CO 0.02 0.84 -0.05 0.82 -2.79 0.00 0.00 178.44 177.28 1f5k h ILE 238 N 0.68 0.99 -0.95 2.65 2.04 -0.89 -2.68 117.51 119.36 1f5k h ILE 238 Ca 0.14 -0.34 0.04 0.00 1.00 0.00 0.00 64.86 65.69 1f5k h ILE 238 Cb 0.47 1.21 -0.06 0.00 -0.74 0.00 0.00 36.82 37.70 1f5k h ILE 238 CO 0.02 0.08 0.62 0.03 0.00 0.00 0.00 178.15 178.90 1f5k h ARG 239 N -0.30 1.16 -0.23 2.37 3.08 -1.04 -2.03 114.38 117.39 1f5k h ARG 239 Ca -0.01 -0.07 -0.11 0.00 0.07 0.00 0.00 59.98 59.86 1f5k h ARG 239 Cb 0.25 -0.26 -0.01 0.00 0.08 0.00 0.00 29.97 30.02 1f5k h ARG 239 CO 0.02 0.77 -0.33 0.66 -1.07 0.00 0.00 179.97 180.02 1f5k h SER 240 N 1.19 0.49 0.67 7.04 4.64 -1.27 -3.10 113.55 123.21 1f5k h SER 240 Ca 0.38 -0.19 0.00 0.00 -0.47 0.00 0.00 61.79 61.51 1f5k h SER 240 Cb 0.01 -0.14 0.00 0.00 -0.31 0.00 0.00 62.40 61.97 1f5k h SER 240 CO -0.13 0.79 -0.49 1.41 -0.87 0.00 0.00 176.83 177.55 1f5k n HIS 241 N -4.07 0.18 0.81 4.77 8.25 -1.02 -4.11 115.22 120.04 1f5k n HIS 241 Ca -0.01 0.05 0.10 0.00 -0.26 0.00 0.00 57.72 57.61 1f5k n HIS 241 Cb 0.46 -0.41 -0.09 0.00 1.12 0.00 0.00 29.99 31.07 1f5k n HIS 241 CO 0.00 0.00 0.00 0.25 0.64 0.00 0.00 176.34 177.23 1f5k n THR 242 N -1.70 0.02 0.00 1.59 -2.24 -0.79 -4.74 114.28 106.43 1f5k n THR 242 Ca 0.05 -0.10 0.00 0.00 -2.27 0.00 0.00 64.05 61.73 1f5k n THR 242 Cb 0.37 0.72 0.00 0.00 -2.10 0.00 0.00 70.33 69.32 1f5k n THR 242 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 1f5k n LYS 243 N -1.65 0.00 0.00 -0.78 5.02 -1.18 -5.09 118.16 114.48 1f5k n LYS 243 Ca 0.03 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.32 1f5k n LYS 243 Cb 0.38 -0.80 0.00 0.00 -0.02 0.00 0.00 35.03 34.59 1f5k n LYS 243 CO 0.00 0.00 0.00 -1.91 -0.52 0.00 0.00 177.40 174.97