#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1s5k s ILE 3 N 0.00 3.93 0.06 5.18 1.01 -1.26 -1.69 121.20 128.43 1s5k s ILE 3 Ca 0.00 -0.33 0.01 0.00 0.00 0.00 0.00 60.65 60.33 1s5k s ILE 3 Cb 0.00 -2.75 -0.03 0.00 0.01 0.00 0.00 42.46 39.68 1s5k s ILE 3 CO 0.00 0.46 -0.06 0.00 0.00 0.00 0.00 174.94 175.34 1s5k s ARG 4 N 0.72 0.64 0.09 2.79 1.70 0.38 -4.94 118.95 120.33 1s5k s ARG 4 Ca -0.01 -1.05 -0.30 0.00 -0.47 0.00 0.00 55.73 53.90 1s5k s ARG 4 Cb -0.14 -0.12 -0.06 0.00 -0.57 0.00 0.00 34.95 34.06 1s5k s ARG 4 CO 0.02 -0.02 1.11 -1.14 -1.08 0.00 0.00 175.30 174.20 1s5k s GLN 5 N -2.86 4.52 0.33 3.89 0.74 -1.26 -0.22 119.66 124.80 1s5k s GLN 5 Ca 0.01 1.67 -0.29 0.00 0.05 0.00 0.00 55.36 56.80 1s5k s GLN 5 Cb -0.01 -3.35 -0.11 0.00 1.10 0.00 0.00 33.01 30.65 1s5k s GLN 5 CO -0.04 -0.09 1.42 1.41 -0.55 0.00 0.00 175.29 177.45 1s5k s MET 6 N 0.52 4.23 0.31 1.67 -2.45 0.43 -4.90 119.30 119.11 1s5k s MET 6 Ca 0.54 2.39 0.04 0.00 -1.25 0.00 0.00 55.69 57.41 1s5k s MET 6 Cb -0.28 -3.03 -0.02 0.00 1.25 0.00 0.00 34.83 32.76 1s5k s MET 6 CO 0.31 -0.39 0.15 0.27 1.05 0.00 0.00 175.02 176.41 1s5k n ASN 7 N 0.99 0.61 -0.25 1.11 0.23 -1.26 -4.86 115.26 111.83 1s5k n ASN 7 Ca 0.02 -2.76 0.01 0.00 -0.53 0.00 0.00 54.58 51.33 1s5k n ASN 7 Cb 0.40 1.00 0.14 0.00 -2.08 0.00 0.00 39.78 39.24 1s5k n ASN 7 CO 0.00 0.00 0.00 0.50 -0.93 0.00 0.00 177.26 176.83 1s5k h LYS 8 N 0.00 0.63 -0.33 -3.83 3.64 -1.96 -2.53 116.57 112.19 1s5k h LYS 8 Ca -0.23 -0.04 0.07 0.00 -1.27 0.00 0.00 60.65 59.18 1s5k h LYS 8 Cb 0.97 -0.14 -0.08 0.00 -0.41 0.00 0.00 32.23 32.57 1s5k h LYS 8 CO 0.36 0.42 -0.36 1.79 -2.27 0.00 0.00 179.45 179.39 1s5k h THR 9 N 0.65 0.20 0.00 1.00 1.35 -2.01 0.02 112.91 114.13 1s5k h THR 9 Ca 0.36 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 66.22 1s5k h THR 9 Cb 0.35 0.20 0.00 0.00 -1.73 0.00 0.00 68.15 66.98 1s5k h THR 9 CO -0.26 0.00 0.00 1.41 -0.25 0.00 0.00 175.52 176.42 1s5k n HIS 10 N -5.42 0.42 -0.33 4.73 8.25 -0.97 -3.80 115.22 118.11 1s5k n HIS 10 Ca -0.00 0.20 0.17 0.00 -0.26 0.00 0.00 57.72 57.83 1s5k n HIS 10 Cb 0.34 -0.83 0.37 0.00 1.12 0.00 0.00 29.99 31.00 1s5k n HIS 10 CO 0.00 0.00 0.00 -0.07 0.64 0.00 0.00 176.34 176.91 1s5k h LEU 11 N 0.00 0.49 0.34 2.41 3.38 -0.86 -1.53 115.31 119.54 1s5k h LEU 11 Ca 0.00 0.16 -0.02 0.00 0.09 0.00 0.00 57.88 58.11 1s5k h LEU 11 Cb 0.09 0.10 0.00 0.00 0.09 0.00 0.00 40.66 40.94 1s5k h LEU 11 CO 0.00 0.00 -0.16 -0.08 0.09 0.00 0.00 178.44 178.29 1s5k h GLU 12 N 0.44 -0.44 -0.97 1.13 4.57 -1.77 -2.22 114.58 115.32 1s5k h GLU 12 Ca 0.63 0.03 0.03 0.00 -1.18 0.00 0.00 59.36 58.87 1s5k h GLU 12 Cb 1.26 0.10 -0.05 0.00 -0.16 0.00 0.00 28.75 29.90 1s5k h GLU 12 CO -0.53 -0.15 0.64 0.45 -1.18 0.00 0.00 179.01 178.23 1s5k h HIS 13 N -0.71 1.20 -0.81 0.92 3.86 -1.73 -2.32 115.15 115.57 1s5k h HIS 13 Ca -0.05 0.03 0.04 0.00 -1.16 0.00 0.00 60.37 59.23 1s5k h HIS 13 Cb 0.49 -0.40 -0.05 0.00 1.06 0.00 0.00 27.41 28.50 1s5k h HIS 13 CO 0.01 0.71 0.51 2.35 0.86 0.00 0.00 177.93 182.37 1s5k h TRP 14 N 1.26 0.95 -0.56 2.45 7.01 -1.27 -2.64 115.95 123.14 1s5k h TRP 14 Ca 0.38 0.03 -0.09 0.00 2.11 0.00 0.00 58.89 61.32 1s5k h TRP 14 Cb -0.04 -0.31 -0.02 0.00 -2.10 0.00 0.00 29.16 26.68 1s5k h TRP 14 CO -0.00 0.52 -0.00 0.00 -2.79 0.00 0.00 178.44 176.17 1s5k h ARG 15 N 0.97 0.97 -0.79 2.65 3.08 -0.82 -1.27 114.38 119.17 1s5k h ARG 15 Ca 0.33 -0.29 0.02 0.00 0.07 0.00 0.00 59.98 60.11 1s5k h ARG 15 Cb 0.07 -0.10 -0.04 0.00 0.08 0.00 0.00 29.97 29.98 1s5k h ARG 15 CO -0.13 0.96 0.52 0.78 -1.07 0.00 0.00 179.97 181.02 1s5k h GLY 16 N 1.00 1.14 1.27 0.04 0.00 -1.34 -0.13 103.07 105.04 1s5k h GLY 16 Ca 0.16 -0.40 -0.21 0.00 0.00 0.00 0.00 47.33 46.89 1s5k h GLY 16 CO 0.03 0.36 -0.73 1.41 0.00 0.00 0.00 176.54 177.61 1s5k h LEU 17 N 1.03 0.85 -1.12 3.11 3.38 -1.38 -3.02 115.31 118.15 1s5k h LEU 17 Ca 0.31 -0.54 -0.03 0.00 0.09 0.00 0.00 57.88 57.71 1s5k h LEU 17 Cb -0.05 -0.25 -0.03 0.00 0.09 0.00 0.00 40.66 40.42 1s5k h LEU 17 CO -0.09 1.33 0.26 -0.09 0.09 0.00 0.00 178.44 179.93 1s5k h ARG 18 N 0.51 0.88 -0.67 1.13 2.43 -0.86 -0.88 114.38 116.92 1s5k h ARG 18 Ca -0.04 -0.13 0.04 0.00 -0.81 0.00 0.00 59.98 59.04 1s5k h ARG 18 Cb 1.35 -0.16 -0.04 0.00 -0.42 0.00 0.00 29.97 30.70 1s5k h ARG 18 CO 0.15 0.71 0.44 -0.22 -1.51 0.00 0.00 179.97 179.54 1s5k h LYS 19 N 0.87 0.75 0.06 0.20 1.63 -0.94 -2.29 116.57 116.85 1s5k h LYS 19 Ca 0.21 -0.05 -0.24 0.00 -0.85 0.00 0.00 60.65 59.73 1s5k h LYS 19 Cb 0.15 -0.17 -0.01 0.00 -0.60 0.00 0.00 32.23 31.60 1s5k h LYS 19 CO -0.02 0.50 -1.09 1.96 -3.45 0.00 0.00 179.45 177.34 1s5k h GLN 20 N 0.77 0.18 0.00 1.90 4.20 -1.08 -3.52 115.11 117.57 1s5k h GLN 20 Ca 0.27 -0.28 -0.00 0.00 0.06 0.00 0.00 58.65 58.70 1s5k h GLN 20 Cb 0.11 0.10 -0.00 0.00 0.30 0.00 0.00 27.48 27.99 1s5k h GLN 20 CO -0.08 1.10 -0.02 1.25 -0.67 0.00 0.00 178.83 180.42 1s5k h LEU 21 N 0.06 0.00 0.00 1.46 5.85 -0.68 -3.52 115.31 118.48 1s5k h LEU 21 Ca -0.08 -0.24 0.00 0.00 0.84 0.00 0.00 57.88 58.40 1s5k h LEU 21 Cb 1.81 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.84 1s5k h LEU 21 CO 0.17 0.63 0.00 0.00 -0.34 0.00 0.00 178.44 178.90 1s5k n ALA 32 N -2.76 0.00 -0.01 1.25 0.00 -1.26 -5.10 120.51 112.63 1s5k n ALA 32 Ca -0.03 0.00 -0.17 0.00 0.00 0.00 0.00 53.44 53.24 1s5k n ALA 32 Cb 0.12 0.00 -0.09 0.00 0.00 0.00 0.00 19.45 19.49 1s5k n ALA 32 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 1s5k h ASP 33 N 0.00 0.71 -0.83 0.00 3.32 -2.04 -2.91 116.42 114.69 1s5k h ASP 33 Ca 0.00 -0.67 0.21 0.00 0.02 0.00 0.00 57.03 56.59 1s5k h ASP 33 Cb 0.00 -0.21 -0.05 0.00 0.22 0.00 0.00 39.33 39.29 1s5k h ASP 33 CO 0.00 1.27 0.57 1.23 -1.72 0.00 0.00 179.24 180.59 1s5k h GLY 34 N 0.21 0.41 0.87 2.75 0.00 -1.98 0.19 103.07 105.51 1s5k h GLY 34 Ca -0.06 -0.09 -0.04 0.00 0.00 0.00 0.00 47.33 47.14 1s5k h GLY 34 CO 0.13 0.00 -0.42 0.83 0.00 0.00 0.00 176.54 177.09 1s5k h GLU 35 N 0.20 -1.12 -0.88 4.80 4.39 -1.95 -1.10 114.58 118.90 1s5k h GLU 35 Ca 0.41 0.08 0.07 0.00 0.34 0.00 0.00 59.36 60.25 1s5k h GLU 35 Cb 1.31 0.25 -0.06 0.00 -0.10 0.00 0.00 28.75 30.16 1s5k h GLU 35 CO -0.08 -0.75 0.58 1.49 -1.16 0.00 0.00 179.01 179.08 1s5k h GLU 36 N -1.31 0.96 -0.59 2.33 4.57 -1.03 -0.71 114.58 118.81 1s5k h GLU 36 Ca -0.12 -0.06 -0.06 0.00 -1.18 0.00 0.00 59.36 57.94 1s5k h GLU 36 Cb 0.89 -0.22 -0.02 0.00 -0.16 0.00 0.00 28.75 29.24 1s5k h GLU 36 CO 0.20 0.64 0.12 0.82 -1.18 0.00 0.00 179.01 179.61 1s5k h ILE 37 N 0.99 1.25 -0.51 2.32 2.04 -0.62 0.46 117.51 123.45 1s5k h ILE 37 Ca 0.38 -0.93 -0.08 0.00 1.00 0.00 0.00 64.86 65.23 1s5k h ILE 37 Cb 0.22 0.73 -0.02 0.00 -0.74 0.00 0.00 36.82 37.01 1s5k h ILE 37 CO -0.14 0.34 0.01 -0.07 0.00 0.00 0.00 178.15 178.29 1s5k h LEU 38 N 0.85 0.87 -0.45 1.44 4.07 -0.43 -3.11 115.31 118.55 1s5k h LEU 38 Ca 0.18 -0.30 -0.18 0.00 0.08 0.00 0.00 57.88 57.66 1s5k h LEU 38 Cb 0.38 -0.23 -0.01 0.00 1.08 0.00 0.00 40.66 41.88 1s5k h LEU 38 CO 0.01 0.96 -0.70 1.56 -1.08 0.00 0.00 178.44 179.18 1s5k h GLN 39 N 0.75 0.37 -6.75 1.13 4.20 -0.81 -3.47 115.11 110.53 1s5k h GLN 39 Ca 0.14 -0.29 -0.49 0.00 0.06 0.00 0.00 58.65 58.08 1s5k h GLN 39 Cb 0.50 0.06 -0.03 0.00 0.30 0.00 0.00 27.48 28.32 1s5k h GLN 39 CO 0.02 0.93 0.12 0.00 -0.67 0.00 0.00 178.83 179.23 1s5k s ALA 40 N -3.64 3.30 0.03 3.87 0.00 0.16 -5.01 121.76 120.48 1s5k s ALA 40 Ca -0.05 0.09 -0.01 0.00 0.00 0.00 0.00 51.96 51.98 1s5k s ALA 40 Cb 0.11 -2.81 -0.27 0.00 0.00 0.00 0.00 23.12 20.15 1s5k s ALA 40 CO 0.83 0.31 0.97 0.22 0.00 0.00 0.00 175.76 178.09 1s5k h ASP 41 N 2.30 0.34 -0.09 0.00 3.58 -1.89 -3.26 116.42 117.39 1s5k h ASP 41 Ca -0.48 -0.43 0.00 0.00 0.42 0.00 0.00 57.03 56.54 1s5k h ASP 41 Cb 1.18 -0.11 0.00 0.00 1.72 0.00 0.00 39.33 42.12 1s5k h ASP 41 CO 0.65 1.35 0.00 0.00 -2.88 0.00 0.00 179.24 178.36 1s5k n HIS 42 N -3.44 0.12 -4.99 0.28 1.44 -1.26 -4.86 115.22 102.51 1s5k n HIS 42 Ca -0.12 -0.06 -0.31 0.00 -2.01 0.00 0.00 57.72 55.22 1s5k n HIS 42 Cb 1.03 0.00 -0.15 0.00 0.12 0.00 0.00 29.99 30.99 1s5k n HIS 42 CO 0.00 0.00 0.00 -0.51 -2.81 0.00 0.00 176.34 173.02 1s5k s LEU 43 N -1.44 2.23 -0.22 2.39 1.02 -1.23 -1.04 118.68 120.39 1s5k s LEU 43 Ca 0.25 -0.51 -0.23 0.00 0.02 0.00 0.00 54.13 53.67 1s5k s LEU 43 Cb 0.13 -1.35 0.06 0.00 0.02 0.00 0.00 46.19 45.05 1s5k s LEU 43 CO 0.20 0.28 0.64 0.00 0.02 0.00 0.00 176.35 177.49 1s5k s ALA 44 N -0.76 -1.58 0.04 4.21 0.00 -0.82 -4.82 121.76 118.02 1s5k s ALA 44 Ca 0.12 1.74 0.06 0.00 0.00 0.00 0.00 51.96 53.88 1s5k s ALA 44 Cb -0.10 -0.95 -0.02 0.00 0.00 0.00 0.00 23.12 22.05 1s5k s ALA 44 CO 0.02 -0.31 -0.17 -1.12 0.00 0.00 0.00 175.76 174.17 1s5k s SER 45 N 0.20 2.07 0.12 0.00 0.01 -1.26 0.22 113.70 115.06 1s5k s SER 45 Ca -0.01 -0.47 0.11 0.00 1.31 0.00 0.00 55.95 56.89 1s5k s SER 45 Cb -0.04 -0.16 -0.04 0.00 0.21 0.00 0.00 66.02 65.98 1s5k s SER 45 CO 0.02 0.11 -0.25 -0.36 0.41 0.00 0.00 173.24 173.16 1s5k s PHE 46 N -0.77 2.35 -0.01 2.43 0.40 0.08 -0.43 117.98 122.03 1s5k s PHE 46 Ca 0.05 -0.36 0.02 0.00 -0.60 0.00 0.00 56.93 56.04 1s5k s PHE 46 Cb -0.08 -1.28 -0.00 0.00 0.51 0.00 0.00 43.02 42.17 1s5k s PHE 46 CO 0.01 0.34 -0.08 0.42 0.70 0.00 0.00 175.22 176.61 1s5k s ILE 47 N -1.06 0.68 -0.18 0.64 1.01 0.69 -1.40 121.20 121.58 1s5k s ILE 47 Ca 0.15 -0.34 -0.07 0.00 0.00 0.00 0.00 60.65 60.38 1s5k s ILE 47 Cb -0.10 -0.59 -0.04 0.00 0.01 0.00 0.00 42.46 41.74 1s5k s ILE 47 CO 0.06 0.20 0.05 0.00 0.00 0.00 0.00 174.94 175.26 1s5k s ALA 48 N -0.04 3.37 -0.04 9.38 0.00 -0.04 -0.47 121.76 133.92 1s5k s ALA 48 Ca 0.01 -0.75 0.02 0.00 0.00 0.00 0.00 51.96 51.24 1s5k s ALA 48 Cb -0.05 -1.87 -0.03 0.00 0.00 0.00 0.00 23.12 21.17 1s5k s ALA 48 CO -0.00 0.20 -0.08 -1.64 0.00 0.00 0.00 175.76 174.23 1s5k s MET 49 N 0.33 2.62 -0.10 0.00 1.00 -0.68 0.26 119.30 122.72 1s5k s MET 49 Ca 0.02 -0.65 0.01 0.00 0.00 0.00 0.00 55.69 55.07 1s5k s MET 49 Cb -0.12 -2.51 0.02 0.00 0.00 0.00 0.00 34.83 32.21 1s5k s MET 49 CO 0.00 0.63 -0.11 0.00 0.00 0.00 0.00 175.02 175.55 1s5k s ALA 50 N -0.87 1.41 -1.71 3.03 0.00 0.20 -4.52 121.76 119.30 1s5k s ALA 50 Ca 0.14 -0.56 -0.18 0.00 0.00 0.00 0.00 51.96 51.36 1s5k s ALA 50 Cb -0.11 -0.81 0.16 0.00 0.00 0.00 0.00 23.12 22.36 1s5k s ALA 50 CO 0.04 -0.20 0.71 -3.47 0.00 0.00 0.00 175.76 172.83 1s5k n ASP 51 N 4.47 -2.72 -0.02 0.00 2.03 -1.26 -0.58 116.55 118.47 1s5k n ASP 51 Ca -0.17 -1.06 -0.00 0.00 0.52 0.00 0.00 54.79 54.07 1s5k n ASP 51 Cb 0.51 -2.54 -0.00 0.00 -0.72 0.00 0.00 41.12 38.37 1s5k n ASP 51 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1s5k n GLY 52 N -1.42 0.46 3.34 0.27 0.00 -1.26 -5.02 105.19 101.57 1s5k n GLY 52 Ca 0.05 -0.13 -0.32 0.00 0.00 0.00 0.00 46.02 45.61 1s5k n GLY 52 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1s5k s VAL 53 N -1.93 2.54 -0.23 1.61 1.01 0.26 -5.06 120.40 118.59 1s5k s VAL 53 Ca 0.00 -0.88 -0.29 0.00 0.00 0.00 0.00 61.98 60.81 1s5k s VAL 53 Cb 0.00 -1.98 -0.01 0.00 0.00 0.00 0.00 36.38 34.39 1s5k s VAL 53 CO 0.00 0.56 1.33 0.00 0.00 0.00 0.00 175.10 176.99 1s5k s ALA 54 N -0.17 3.47 -0.72 5.51 0.00 -1.26 0.62 121.76 129.21 1s5k s ALA 54 Ca -0.02 0.30 0.07 0.00 0.00 0.00 0.00 51.96 52.30 1s5k s ALA 54 Cb -0.14 -3.72 0.12 0.00 0.00 0.00 0.00 23.12 19.38 1s5k s ALA 54 CO 0.04 -1.55 0.93 0.44 0.00 0.00 0.00 175.76 175.61 1s5k n ILE 55 N 5.89 0.49 -3.58 0.00 -6.64 0.14 -4.93 119.36 110.73 1s5k n ILE 55 Ca 0.15 -0.74 -0.08 0.00 -1.77 0.00 0.00 62.75 60.30 1s5k n ILE 55 Cb 0.46 0.83 -0.04 0.00 -1.44 0.00 0.00 39.64 39.45 1s5k n ILE 55 CO 0.00 0.00 0.00 -0.83 -1.77 0.00 0.00 176.55 173.95 1s5k s GLY 56 N -0.78 -0.25 0.16 3.28 0.00 -1.20 -1.46 107.32 107.07 1s5k s GLY 56 Ca 0.11 1.95 -0.12 0.00 0.00 0.00 0.00 44.72 46.66 1s5k s GLY 56 CO 0.09 0.89 0.34 -0.11 0.00 0.00 0.00 173.10 174.31 1s5k s PHE 57 N -1.52 0.19 -0.04 1.90 -0.71 0.35 -0.86 117.98 117.29 1s5k s PHE 57 Ca 0.02 -0.55 -0.01 0.00 -1.04 0.00 0.00 56.93 55.35 1s5k s PHE 57 Cb -0.01 0.08 0.03 0.00 -1.21 0.00 0.00 43.02 41.91 1s5k s PHE 57 CO -0.02 -0.74 0.07 0.00 -1.34 0.00 0.00 175.22 173.19 1s5k s ALA 58 N -3.92 -0.01 -0.08 1.99 0.00 -0.49 -1.26 121.76 117.99 1s5k s ALA 58 Ca 0.12 0.41 -0.06 0.00 0.00 0.00 0.00 51.96 52.43 1s5k s ALA 58 Cb 0.02 -0.34 -0.04 0.00 0.00 0.00 0.00 23.12 22.76 1s5k s ALA 58 CO -0.03 -0.16 0.17 -0.51 0.00 0.00 0.00 175.76 175.23 1s5k s ASP 59 N 1.21 6.40 0.17 0.00 1.01 0.22 -0.74 116.67 124.95 1s5k s ASP 59 Ca -0.08 0.46 -0.01 0.00 0.71 0.00 0.00 52.55 53.63 1s5k s ASP 59 Cb -0.13 -2.06 -0.04 0.00 1.01 0.00 0.00 42.92 41.71 1s5k s ASP 59 CO -0.04 0.36 0.09 0.00 0.21 0.00 0.00 175.17 175.79 1s5k s ALA 60 N -1.13 1.05 0.18 5.23 0.00 0.13 -0.20 121.76 127.02 1s5k s ALA 60 Ca 0.19 -1.60 -0.18 0.00 0.00 0.00 0.00 51.96 50.37 1s5k s ALA 60 Cb -0.12 1.13 0.04 0.00 0.00 0.00 0.00 23.12 24.16 1s5k s ALA 60 CO 0.09 -0.53 0.52 -1.54 0.00 0.00 0.00 175.76 174.29 1s5k s SER 61 N -3.11 -0.31 -0.31 0.00 1.04 -0.73 -1.95 113.70 108.33 1s5k s SER 61 Ca 0.32 -0.36 -0.11 0.00 0.48 0.00 0.00 55.95 56.28 1s5k s SER 61 Cb 0.07 0.57 -0.02 0.00 0.10 0.00 0.00 66.02 66.74 1s5k s SER 61 CO 0.07 -1.00 0.19 -0.63 0.98 0.00 0.00 173.24 172.84 1s5k s ILE 62 N -3.84 4.98 -0.15 -1.02 -1.09 -0.20 -0.45 121.20 119.43 1s5k s ILE 62 Ca 0.06 -0.21 -0.10 0.00 -2.23 0.00 0.00 60.65 58.18 1s5k s ILE 62 Cb -0.01 -3.50 -0.05 0.00 -1.58 0.00 0.00 42.46 37.33 1s5k s ILE 62 CO -0.06 0.09 0.18 -0.13 -1.23 0.00 0.00 174.94 173.79 1s5k s ARG 63 N 1.68 3.88 0.00 2.79 1.81 0.12 -4.91 118.95 124.32 1s5k s ARG 63 Ca 0.06 -0.09 0.13 0.00 -1.72 0.00 0.00 55.73 54.11 1s5k s ARG 63 Cb -0.17 -3.31 -0.09 0.00 -0.45 0.00 0.00 34.95 30.93 1s5k s ARG 63 CO 0.09 0.51 0.60 0.72 -0.68 0.00 0.00 175.30 176.54 1s5k n HIS 64 N 2.78 0.00 -2.63 -0.53 8.25 -1.26 -1.09 115.22 120.74 1s5k n HIS 64 Ca -0.17 0.00 -0.23 0.00 -0.26 0.00 0.00 57.72 57.06 1s5k n HIS 64 Cb 0.53 0.00 0.12 0.00 1.12 0.00 0.00 29.99 31.76 1s5k n HIS 64 CO 0.00 0.00 0.00 -0.25 0.64 0.00 0.00 176.34 176.73 1s5k n ASP 65 N -0.92 1.37 -4.77 0.41 8.00 -1.26 -4.97 116.55 114.40 1s5k n ASP 65 Ca 0.03 -2.15 -0.41 0.00 0.71 0.00 0.00 54.79 52.98 1s5k n ASP 65 Cb 0.22 -0.64 -0.01 0.00 -0.02 0.00 0.00 41.12 40.68 1s5k n ASP 65 CO 0.00 0.00 0.00 -0.47 -0.39 0.00 0.00 177.20 176.34 1s5k s TYR 66 N -3.06 2.63 -0.21 1.24 5.04 -1.26 -4.94 117.35 116.80 1s5k s TYR 66 Ca 0.66 1.08 0.00 0.00 -2.44 0.00 0.00 57.07 56.37 1s5k s TYR 66 Cb -0.04 -4.03 0.05 0.00 0.35 0.00 0.00 41.96 38.30 1s5k s TYR 66 CO 0.44 -3.12 -0.05 0.08 -1.34 0.00 0.00 175.55 171.56 1s5k s VAL 67 N -0.85 1.35 -0.05 3.14 1.01 -1.26 -5.11 120.40 118.63 1s5k s VAL 67 Ca 0.55 -0.97 -0.39 0.00 0.00 0.00 0.00 61.98 61.17 1s5k s VAL 67 Cb -0.47 -1.58 -0.18 0.00 0.00 0.00 0.00 36.38 34.15 1s5k s VAL 67 CO 0.59 -0.01 1.36 0.59 0.00 0.00 0.00 175.10 177.64 1s5k n ASN 68 N 4.76 1.29 0.00 3.32 4.13 -1.26 -1.18 115.26 126.32 1s5k n ASN 68 Ca -0.12 1.13 0.00 0.00 1.68 0.00 0.00 54.58 57.27 1s5k n ASN 68 Cb 0.46 -1.08 0.00 0.00 -1.54 0.00 0.00 39.78 37.61 1s5k n ASN 68 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1s5k n GLY 69 N 2.65 0.87 3.54 7.41 0.00 -1.26 -4.92 105.19 113.49 1s5k n GLY 69 Ca 0.21 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.90 1s5k n GLY 69 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1s5k n ASP 71 N 2.64 2.83 -4.51 0.00 5.68 -1.26 -4.78 116.55 117.15 1s5k n ASP 71 Ca -0.18 -1.83 -0.24 0.00 -0.50 0.00 0.00 54.79 52.05 1s5k n ASP 71 Cb 0.53 -0.15 -0.11 0.00 -1.14 0.00 0.00 41.12 40.25 1s5k n ASP 71 CO 0.00 0.00 0.00 -0.94 -1.33 0.00 0.00 177.20 174.93 1s5k s SER 72 N -1.21 2.93 -0.17 -1.12 1.04 -1.26 -5.16 113.70 108.75 1s5k s SER 72 Ca 0.26 -1.35 -0.18 0.00 0.48 0.00 0.00 55.95 55.16 1s5k s SER 72 Cb 0.16 -0.20 0.05 0.00 0.10 0.00 0.00 66.02 66.12 1s5k s SER 72 CO 0.22 -0.52 0.50 -0.55 0.98 0.00 0.00 173.24 173.87 1s5k s SER 73 N -3.56 -0.51 0.97 7.02 0.15 -1.26 -4.57 113.70 111.95 1s5k s SER 73 Ca 0.35 0.93 -0.14 0.00 0.70 0.00 0.00 55.95 57.79 1s5k s SER 73 Cb 0.09 0.95 0.17 0.00 -1.71 0.00 0.00 66.02 65.51 1s5k s SER 73 CO 0.16 -0.23 1.15 -2.16 1.20 0.00 0.00 173.24 173.37 1s5k s PRO 74 N 0.05 0.65 0.04 5.44 0.04 -1.26 -4.96 135.00 135.00 1s5k s PRO 74 Ca -0.02 0.16 0.07 0.00 0.04 0.00 0.00 61.00 61.26 1s5k s PRO 74 Cb -0.03 -1.79 -0.02 0.00 0.04 0.00 0.00 34.50 32.69 1s5k s PRO 74 CO 0.02 -2.50 -0.20 0.08 0.04 0.00 0.00 177.00 174.43 1s5k s VAL 75 N -3.29 1.62 -0.16 -0.36 1.01 -0.25 -4.05 120.40 114.92 1s5k s VAL 75 Ca 0.66 -1.17 -0.18 0.00 0.00 0.00 0.00 61.98 61.29 1s5k s VAL 75 Cb -0.13 -1.41 -0.04 0.00 0.00 0.00 0.00 36.38 34.80 1s5k s VAL 75 CO 0.54 0.20 0.49 -0.69 0.00 0.00 0.00 175.10 175.65 1s5k s VAL 76 N -0.79 5.15 -0.13 2.92 1.01 -0.87 0.14 120.40 127.83 1s5k s VAL 76 Ca 0.07 0.94 0.01 0.00 0.00 0.00 0.00 61.98 63.00 1s5k s VAL 76 Cb -0.09 -3.82 -0.01 0.00 0.00 0.00 0.00 36.38 32.46 1s5k s VAL 76 CO 0.02 0.25 -0.18 0.12 0.00 0.00 0.00 175.10 175.31 1s5k s PHE 77 N 1.18 2.71 -0.76 5.22 2.19 0.40 -0.70 117.98 128.22 1s5k s PHE 77 Ca 0.25 -0.89 -0.27 0.00 0.33 0.00 0.00 56.93 56.34 1s5k s PHE 77 Cb -0.15 -1.81 0.03 0.00 -1.31 0.00 0.00 43.02 39.78 1s5k s PHE 77 CO 0.10 -0.36 1.29 -1.17 1.83 0.00 0.00 175.22 176.91 1s5k s LEU 78 N 0.47 3.18 0.34 6.12 2.96 -0.45 -1.77 118.68 129.53 1s5k s LEU 78 Ca -0.12 -0.51 0.15 0.00 -0.22 0.00 0.00 54.13 53.43 1s5k s LEU 78 Cb -0.16 -2.56 0.58 0.00 0.50 0.00 0.00 46.19 44.54 1s5k s LEU 78 CO 0.05 -1.82 1.70 -0.33 -1.32 0.00 0.00 176.35 174.63 1s5k h GLU 79 N 10.03 0.00 -1.54 1.98 4.39 -0.91 -3.42 114.58 125.11 1s5k h GLU 79 Ca -0.25 0.00 0.17 0.00 0.34 0.00 0.00 59.36 59.62 1s5k h GLU 79 Cb 1.05 0.00 -0.21 0.00 -0.10 0.00 0.00 28.75 29.48 1s5k h GLU 79 CO 1.29 0.46 0.70 0.20 -1.16 0.00 0.00 179.01 180.50 1s5k s GLY 80 N -4.39 -0.23 -0.17 -3.84 0.00 -1.15 -4.94 107.32 92.59 1s5k s GLY 80 Ca -0.01 1.90 -0.15 0.00 0.00 0.00 0.00 44.72 46.46 1s5k s GLY 80 CO 0.72 0.78 0.46 -1.50 0.00 0.00 0.00 173.10 173.55 1s5k s ILE 81 N -1.81 -0.00 -0.16 0.90 2.07 -1.26 -0.61 121.20 120.33 1s5k s ILE 81 Ca 0.05 0.01 -0.16 0.00 -1.41 0.00 0.00 60.65 59.14 1s5k s ILE 81 Cb -0.01 -0.64 0.04 0.00 0.13 0.00 0.00 42.46 41.99 1s5k s ILE 81 CO -0.04 0.00 0.45 0.12 -1.91 0.00 0.00 174.94 173.57 1s5k s PHE 82 N 0.36 -0.49 -0.05 3.50 5.36 -0.39 -5.01 117.98 121.27 1s5k s PHE 82 Ca -0.01 1.18 0.01 0.00 -0.96 0.00 0.00 56.93 57.15 1s5k s PHE 82 Cb -0.04 0.17 0.02 0.00 -0.34 0.00 0.00 43.02 42.84 1s5k s PHE 82 CO -0.01 -0.25 -0.04 0.08 -1.46 0.00 0.00 175.22 173.54 1s5k s VAL 83 N 0.16 0.52 0.22 3.12 1.01 -1.26 -0.50 120.40 123.67 1s5k s VAL 83 Ca -0.01 -0.10 -0.30 0.00 0.00 0.00 0.00 61.98 61.57 1s5k s VAL 83 Cb -0.03 -0.55 -0.15 0.00 0.00 0.00 0.00 36.38 35.64 1s5k s VAL 83 CO 0.01 0.22 1.03 0.18 0.00 0.00 0.00 175.10 176.54 1s5k n LEU 84 N 4.12 1.34 -0.23 3.92 4.77 -0.53 -4.81 117.00 125.57 1s5k n LEU 84 Ca -0.24 1.16 -0.01 0.00 -0.03 0.00 0.00 56.01 56.89 1s5k n LEU 84 Cb 0.51 -1.22 0.06 0.00 -2.33 0.00 0.00 43.42 40.44 1s5k n LEU 84 CO 0.22 -1.52 0.70 -0.65 -1.33 0.00 0.00 177.39 174.81 1s5k h PRO 85 N 2.54 -0.04 0.00 3.23 0.11 -2.00 0.42 132.00 136.26 1s5k h PRO 85 Ca -0.40 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.71 1s5k h PRO 85 Cb 1.35 0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.47 1s5k h PRO 85 CO 0.65 -0.03 0.00 0.66 -0.21 0.00 0.00 178.00 179.07 1s5k h SER 86 N -0.04 0.00 -0.60 -2.05 4.64 -1.98 -1.73 113.55 111.79 1s5k h SER 86 Ca 0.31 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.63 1s5k h SER 86 Cb 0.52 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.61 1s5k h SER 86 CO -0.70 0.00 0.00 0.49 -0.87 0.00 0.00 176.83 175.75 1s5k n PHE 87 N -2.64 1.18 -2.22 4.77 3.01 0.13 -5.00 117.46 116.70 1s5k n PHE 87 Ca -0.01 -0.59 -0.33 0.00 1.01 0.00 0.00 57.45 57.53 1s5k n PHE 87 Cb 0.11 -0.16 -0.01 0.00 -0.01 0.00 0.00 39.48 39.41 1s5k n PHE 87 CO 0.00 0.00 0.00 1.03 1.01 0.00 0.00 176.76 178.80 1s5k s ARG 88 N -1.60 3.57 -1.03 -1.08 0.52 -0.65 -4.10 118.95 114.58 1s5k s ARG 88 Ca 0.46 1.16 -0.03 0.00 -0.52 0.00 0.00 55.73 56.80 1s5k s ARG 88 Cb 0.28 -2.07 0.00 0.00 0.52 0.00 0.00 34.95 33.69 1s5k s ARG 88 CO 0.24 -0.60 0.42 1.04 0.02 0.00 0.00 175.30 176.42 1s5k n GLN 89 N -1.73 -3.32 0.00 3.54 6.02 -1.26 -4.89 117.38 115.74 1s5k n GLN 89 Ca 0.08 0.60 0.00 0.00 -0.01 0.00 0.00 57.00 57.67 1s5k n GLN 89 Cb 0.53 -4.82 0.00 0.00 1.02 0.00 0.00 30.24 26.97 1s5k n GLN 89 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.06 176.59 1s5k n ARG 90 N -2.93 1.75 -0.56 -1.09 1.74 -1.26 -5.00 116.66 109.30 1s5k n ARG 90 Ca -0.07 -1.10 0.00 0.00 -0.77 0.00 0.00 57.85 55.91 1s5k n ARG 90 Cb 0.58 -0.86 0.00 0.00 -1.02 0.00 0.00 32.46 31.16 1s5k n ARG 90 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1s5k n GLY 91 N -0.31 0.75 0.08 -0.13 0.00 -1.26 -4.96 105.19 99.36 1s5k n GLY 91 Ca 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.91 1s5k n GLY 91 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 1s5k h VAL 92 N 0.00 1.02 -0.70 1.61 2.07 -1.95 -1.01 116.25 117.30 1s5k h VAL 92 Ca 0.00 -0.05 -0.05 0.00 0.82 0.00 0.00 66.70 67.42 1s5k h VAL 92 Cb 0.00 0.87 -0.03 0.00 -1.52 0.00 0.00 31.29 30.61 1s5k h VAL 92 CO 0.00 0.02 0.22 0.00 0.02 0.00 0.00 177.57 177.84 1s5k h ALA 93 N 1.04 0.91 -0.79 1.67 0.00 -1.94 0.23 119.26 120.39 1s5k h ALA 93 Ca 0.04 -0.22 0.06 0.00 0.00 0.00 0.00 54.91 54.79 1s5k h ALA 93 Cb -0.01 -0.27 -0.05 0.00 0.00 0.00 0.00 17.79 17.46 1s5k h ALA 93 CO -0.01 0.59 0.52 -0.22 0.00 0.00 0.00 179.25 180.12 1s5k h LYS 94 N 1.02 0.87 -0.10 0.00 3.64 -1.91 0.23 116.57 120.31 1s5k h LYS 94 Ca 0.23 -0.05 -0.06 0.00 -1.27 0.00 0.00 60.65 59.49 1s5k h LYS 94 Cb 0.30 -0.20 0.00 0.00 -0.41 0.00 0.00 32.23 31.92 1s5k h LYS 94 CO -0.01 0.57 -0.18 0.37 -2.27 0.00 0.00 179.45 177.93 1s5k h GLN 95 N 0.89 0.31 -0.21 1.90 5.75 0.03 -1.83 115.11 121.96 1s5k h GLN 95 Ca 0.33 -0.19 -0.02 0.00 -0.15 0.00 0.00 58.65 58.63 1s5k h GLN 95 Cb 0.18 0.02 -0.01 0.00 1.07 0.00 0.00 27.48 28.74 1s5k h GLN 95 CO -0.11 0.78 0.06 -0.07 -2.65 0.00 0.00 178.83 176.84 1s5k h LEU 96 N -0.13 0.26 -0.16 -2.39 3.38 -0.04 -1.42 115.31 114.82 1s5k h LEU 96 Ca 0.01 -0.02 -0.22 0.00 0.09 0.00 0.00 57.88 57.74 1s5k h LEU 96 Cb 0.76 -0.06 -0.01 0.00 0.09 0.00 0.00 40.66 41.44 1s5k h LEU 96 CO 0.04 0.26 -0.97 0.40 0.09 0.00 0.00 178.44 178.26 1s5k h ILE 97 N 0.29 1.49 -0.48 1.22 2.04 -0.92 -1.51 117.51 119.63 1s5k h ILE 97 Ca 0.07 -2.73 -0.09 0.00 1.00 0.00 0.00 64.86 63.11 1s5k h ILE 97 Cb 0.10 2.58 -0.02 0.00 -0.74 0.00 0.00 36.82 38.74 1s5k h ILE 97 CO -0.00 0.80 -0.06 0.00 0.00 0.00 0.00 178.15 178.89 1s5k h ALA 98 N 0.85 0.99 -0.44 1.87 0.00 -0.95 0.11 119.26 121.69 1s5k h ALA 98 Ca -0.07 -0.30 -0.07 0.00 0.00 0.00 0.00 54.91 54.47 1s5k h ALA 98 Cb 1.63 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 19.21 1s5k h ALA 98 CO 0.15 0.61 -0.03 0.00 0.00 0.00 0.00 179.25 179.98 1s5k h ALA 99 N 1.16 1.12 -0.54 0.00 0.00 -0.96 -1.12 119.26 118.92 1s5k h ALA 99 Ca 0.14 -0.27 -0.11 0.00 0.00 0.00 0.00 54.91 54.67 1s5k h ALA 99 Cb 0.55 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 18.14 1s5k h ALA 99 CO 0.03 0.56 -0.09 0.28 0.00 0.00 0.00 179.25 180.03 1s5k h VAL 100 N 0.68 1.27 -0.15 0.00 2.07 -0.77 -2.01 116.25 117.34 1s5k h VAL 100 Ca 0.13 -1.24 -0.01 0.00 0.82 0.00 0.00 66.70 66.40 1s5k h VAL 100 Cb 0.47 0.97 -0.01 0.00 -1.52 0.00 0.00 31.29 31.20 1s5k h VAL 100 CO 0.02 0.44 0.04 -0.61 0.02 0.00 0.00 177.57 177.48 1s5k h GLN 101 N 0.88 0.24 -0.31 1.57 4.15 -0.47 -0.69 115.11 120.48 1s5k h GLN 101 Ca 0.14 -0.05 0.06 0.00 0.77 0.00 0.00 58.65 59.56 1s5k h GLN 101 Cb 0.66 -0.03 -0.05 0.00 0.21 0.00 0.00 27.48 28.26 1s5k h GLN 101 CO 0.05 0.38 -0.03 -0.09 -1.93 0.00 0.00 178.83 177.20 1s5k h ARG 102 N 0.06 0.05 -0.84 1.69 2.43 -1.09 0.11 114.38 116.78 1s5k h ARG 102 Ca 0.05 -0.00 0.04 0.00 -0.81 0.00 0.00 59.98 59.26 1s5k h ARG 102 Cb 0.24 -0.01 -0.05 0.00 -0.42 0.00 0.00 29.97 29.73 1s5k h ARG 102 CO -0.00 0.03 0.53 2.35 -1.51 0.00 0.00 179.97 181.37 1s5k h TRP 103 N 0.05 0.99 -0.02 2.20 7.01 -1.19 -1.82 115.95 123.17 1s5k h TRP 103 Ca 0.15 0.03 -0.00 0.00 2.11 0.00 0.00 58.89 61.17 1s5k h TRP 103 Cb 0.21 -0.32 -0.00 0.00 -2.10 0.00 0.00 29.16 26.95 1s5k h TRP 103 CO -0.25 0.54 -0.00 0.78 -2.79 0.00 0.00 178.44 176.71 1s5k h GLY 104 N 1.01 0.03 0.70 2.65 0.00 -0.33 -2.77 103.07 104.36 1s5k h GLY 104 Ca 0.35 -0.03 0.08 0.00 0.00 0.00 0.00 47.33 47.73 1s5k h GLY 104 CO -0.14 0.03 0.63 0.00 0.00 0.00 0.00 176.54 177.06 1s5k h THR 105 N -0.34 1.05 -0.46 4.70 1.03 -0.64 0.49 112.91 118.73 1s5k h THR 105 Ca 0.00 -0.38 0.00 0.00 -0.01 0.00 0.00 66.41 66.02 1s5k h THR 105 Cb 0.39 -0.16 0.00 0.00 -1.07 0.00 0.00 68.15 67.31 1s5k h THR 105 CO 0.00 0.20 0.00 -0.46 -0.01 0.00 0.00 175.52 175.25 1s5k n ASN 106 N -4.52 2.60 -1.31 0.00 0.23 -0.70 -2.23 115.26 109.32 1s5k n ASN 106 Ca 0.16 -1.98 0.09 0.00 -0.53 0.00 0.00 54.58 52.32 1s5k n ASN 106 Cb 0.23 -0.31 0.30 0.00 -2.08 0.00 0.00 39.78 37.92 1s5k n ASN 106 CO 0.00 0.00 0.00 0.29 -0.93 0.00 0.00 177.26 176.62 1s5k n LYS 107 N 0.92 2.97 -1.15 -3.83 4.76 0.09 -4.95 118.16 116.98 1s5k n LYS 107 Ca 0.17 -2.40 0.00 0.00 -2.87 0.00 0.00 58.31 53.20 1s5k n LYS 107 Cb 0.42 -1.67 0.00 0.00 -1.84 0.00 0.00 35.03 31.94 1s5k n LYS 107 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1s5k n GLY 108 N 1.26 0.42 3.71 0.72 0.00 -0.94 -4.98 105.19 105.38 1s5k n GLY 108 Ca 0.22 -1.00 -0.38 0.00 0.00 0.00 0.00 46.02 44.86 1s5k n GLY 108 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1s5k n ARG 110 N 3.83 0.19 -3.82 0.00 1.74 -1.26 -4.26 116.66 113.09 1s5k n ARG 110 Ca -0.07 -0.09 -0.11 0.00 -0.77 0.00 0.00 57.85 56.81 1s5k n ARG 110 Cb 0.51 -1.50 -0.08 0.00 -1.02 0.00 0.00 32.46 30.37 1s5k n ARG 110 CO 0.00 0.00 0.00 -1.83 -1.52 0.00 0.00 177.63 174.28 1s5k s GLU 111 N -2.87 0.70 -0.04 5.56 -1.05 -1.26 -5.11 118.70 114.63 1s5k s GLU 111 Ca 0.15 -0.54 0.04 0.00 -0.15 0.00 0.00 54.97 54.47 1s5k s GLU 111 Cb 0.18 0.30 -0.03 0.00 -0.44 0.00 0.00 34.13 34.14 1s5k s GLU 111 CO 0.62 -0.20 -0.14 1.41 0.95 0.00 0.00 175.26 177.89 1s5k s MET 112 N -2.36 2.49 0.19 -4.83 -2.45 -1.26 -2.05 119.30 109.03 1s5k s MET 112 Ca -0.07 -0.71 0.03 0.00 -1.25 0.00 0.00 55.69 53.70 1s5k s MET 112 Cb -0.02 -2.38 -0.05 0.00 1.25 0.00 0.00 34.83 33.64 1s5k s MET 112 CO -0.03 0.62 -0.01 0.00 1.05 0.00 0.00 175.02 176.65 1s5k s ALA 113 N -0.75 1.52 0.31 4.11 0.00 0.12 -4.95 121.76 122.12 1s5k s ALA 113 Ca 0.12 -1.63 -0.19 0.00 0.00 0.00 0.00 51.96 50.25 1s5k s ALA 113 Cb -0.11 0.46 0.04 0.00 0.00 0.00 0.00 23.12 23.52 1s5k s ALA 113 CO 0.01 -0.27 0.80 0.45 0.00 0.00 0.00 175.76 176.75 1s5k s SER 114 N -3.22 -0.12 0.16 0.00 0.15 -1.26 -1.34 113.70 108.07 1s5k s SER 114 Ca 0.24 -0.83 -0.14 0.00 0.70 0.00 0.00 55.95 55.92 1s5k s SER 114 Cb 0.05 0.75 0.02 0.00 -1.71 0.00 0.00 66.02 65.13 1s5k s SER 114 CO 0.05 -1.44 0.39 1.51 1.20 0.00 0.00 173.24 174.96 1s5k s ASP 115 N -3.02 -0.13 0.08 5.45 1.47 -1.26 -5.03 116.67 114.22 1s5k s ASP 115 Ca 0.14 -0.57 -0.26 0.00 1.18 0.00 0.00 52.55 53.04 1s5k s ASP 115 Cb -0.05 0.49 0.08 0.00 -0.34 0.00 0.00 42.92 43.10 1s5k s ASP 115 CO 0.08 -0.93 0.72 0.28 0.68 0.00 0.00 175.17 176.00 1s5k s THR 116 N -3.88 0.00 0.47 2.11 -1.32 -1.26 -5.06 115.64 106.70 1s5k s THR 116 Ca 0.10 0.00 -0.22 0.00 -1.21 0.00 0.00 61.69 60.35 1s5k s THR 116 Cb 0.01 -1.00 -0.07 0.00 -1.51 0.00 0.00 72.50 69.93 1s5k s THR 116 CO -0.05 0.00 1.14 -0.55 -2.21 0.00 0.00 174.62 172.95 1s5k s SER 117 N -2.50 6.13 0.56 8.08 0.15 -1.26 -4.92 113.70 119.94 1s5k s SER 117 Ca 0.01 2.24 0.26 0.00 0.70 0.00 0.00 55.95 59.16 1s5k s SER 117 Cb -0.01 -2.59 1.62 0.00 -1.71 0.00 0.00 66.02 63.32 1s5k s SER 117 CO -0.10 -0.94 2.20 -0.65 1.20 0.00 0.00 173.24 174.95 1s5k h PRO 118 N 1.89 0.00 0.00 5.44 0.11 -2.01 -0.52 132.00 136.91 1s5k h PRO 118 Ca -0.49 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.62 1s5k h PRO 118 Cb 1.25 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.36 1s5k h PRO 118 CO 0.60 0.02 -0.26 0.39 -0.21 0.00 0.00 178.00 178.54 1s5k n GLU 119 N -4.00 0.00 -2.80 1.05 4.71 -1.26 -4.49 120.64 113.85 1s5k n GLU 119 Ca -0.03 0.00 -0.44 0.00 -0.01 0.00 0.00 57.16 56.69 1s5k n GLU 119 Cb 0.11 -1.50 0.00 0.00 -1.01 0.00 0.00 31.44 29.04 1s5k n GLU 119 CO 0.00 0.00 0.00 -1.71 0.09 0.00 0.00 177.13 175.51 1s5k n ASN 120 N -1.51 5.13 -0.21 1.62 2.85 -0.20 -4.79 115.26 118.14 1s5k n ASN 120 Ca 0.06 -2.97 -0.06 0.00 -0.11 0.00 0.00 54.58 51.49 1s5k n ASN 120 Cb 0.34 -1.60 0.03 0.00 1.24 0.00 0.00 39.78 39.79 1s5k n ASN 120 CO 0.00 0.00 0.00 0.74 -2.11 0.00 0.00 177.26 175.89 1s5k h THR 121 N 4.74 1.17 -0.36 -0.44 2.02 -1.82 -1.08 112.91 117.14 1s5k h THR 121 Ca 0.36 -0.37 -0.03 0.00 0.77 0.00 0.00 66.41 67.15 1s5k h THR 121 Cb 0.85 0.34 -0.02 0.00 -1.74 0.00 0.00 68.15 67.58 1s5k h THR 121 CO 1.33 0.17 0.12 0.40 0.37 0.00 0.00 175.52 177.92 1s5k h ILE 122 N 0.81 1.21 -0.17 3.11 2.04 -1.98 -2.03 117.51 120.50 1s5k h ILE 122 Ca 0.22 -0.66 0.03 0.00 1.00 0.00 0.00 64.86 65.45 1s5k h ILE 122 Cb -0.04 0.96 -0.03 0.00 -0.74 0.00 0.00 36.82 36.97 1s5k h ILE 122 CO -0.04 0.23 -0.04 -1.28 0.00 0.00 0.00 178.15 177.02 1s5k h SER 123 N 0.44 -0.15 -0.77 1.72 0.87 -1.90 0.28 113.55 114.03 1s5k h SER 123 Ca 0.12 0.05 0.10 0.00 -1.23 0.00 0.00 61.79 60.83 1s5k h SER 123 Cb 0.24 0.10 -0.07 0.00 -0.44 0.00 0.00 62.40 62.22 1s5k h SER 123 CO -0.01 -0.05 0.41 1.56 -0.53 0.00 0.00 176.83 178.21 1s5k h GLN 124 N 0.01 0.66 -0.40 2.24 4.20 -1.05 0.34 115.11 121.10 1s5k h GLN 124 Ca 0.08 -0.04 -0.11 0.00 0.06 0.00 0.00 58.65 58.64 1s5k h GLN 124 Cb 0.12 -0.15 -0.01 0.00 0.30 0.00 0.00 27.48 27.74 1s5k h GLN 124 CO -0.17 0.44 -0.20 0.87 -0.67 0.00 0.00 178.83 179.09 1s5k h LYS 125 N 0.68 0.79 -0.08 1.46 1.57 -0.59 -0.95 116.57 119.44 1s5k h LYS 125 Ca 0.38 -0.31 -0.01 0.00 -1.87 0.00 0.00 60.65 58.84 1s5k h LYS 125 Cb 0.40 -0.04 -0.00 0.00 0.08 0.00 0.00 32.23 32.67 1s5k h LYS 125 CO -0.27 0.93 0.02 0.28 -0.57 0.00 0.00 179.45 179.83 1s5k h VAL 126 N 0.69 1.20 -0.51 0.50 2.07 0.80 0.15 116.25 121.15 1s5k h VAL 126 Ca 0.10 -0.61 0.04 0.00 0.82 0.00 0.00 66.70 67.05 1s5k h VAL 126 Cb 0.72 1.44 -0.04 0.00 -1.52 0.00 0.00 31.29 31.89 1s5k h VAL 126 CO 0.06 0.17 0.27 0.45 0.02 0.00 0.00 177.57 178.53 1s5k h HIS 127 N -0.08 0.49 -0.49 1.57 3.86 -0.11 -1.16 115.15 119.23 1s5k h HIS 127 Ca 0.03 0.02 -0.04 0.00 -1.16 0.00 0.00 60.37 59.22 1s5k h HIS 127 Cb 0.25 -0.15 -0.02 0.00 1.06 0.00 0.00 27.41 28.56 1s5k h HIS 127 CO 0.01 0.25 0.17 1.96 0.86 0.00 0.00 177.93 181.17 1s5k h GLN 128 N 0.52 0.76 -0.38 2.45 4.20 -1.01 -1.48 115.11 120.17 1s5k h GLN 128 Ca 0.22 -0.16 0.04 0.00 0.06 0.00 0.00 58.65 58.82 1s5k h GLN 128 Cb 0.11 -0.11 -0.02 0.00 0.30 0.00 0.00 27.48 27.76 1s5k h GLN 128 CO -0.15 0.70 0.25 0.00 -0.67 0.00 0.00 178.83 178.97 1s5k h ALA 129 N 1.02 1.94 -0.23 3.87 0.00 -0.12 -1.82 119.26 123.92 1s5k h ALA 129 Ca 0.16 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.06 1s5k h ALA 129 Cb 0.25 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.96 1s5k h ALA 129 CO -0.01 0.00 0.00 1.28 0.00 0.00 0.00 179.25 180.52 1s5k n LEU 130 N -4.48 1.36 0.00 0.00 4.77 -0.49 -4.89 117.00 113.27 1s5k n LEU 130 Ca 0.04 -0.68 0.00 0.00 -0.03 0.00 0.00 56.01 55.34 1s5k n LEU 130 Cb 0.20 -0.19 0.00 0.00 -2.33 0.00 0.00 43.42 41.10 1s5k n LEU 130 CO 0.35 0.32 0.00 0.61 -1.33 0.00 0.00 177.39 177.34 1s5k n GLY 131 N 0.82 0.81 3.92 -0.72 0.00 -0.68 -5.07 105.19 104.27 1s5k n GLY 131 Ca 0.08 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.83 1s5k n GLY 131 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1s5k s PHE 132 N -2.02 3.51 -0.13 1.61 0.40 -0.62 -5.03 117.98 115.71 1s5k s PHE 132 Ca 0.00 0.60 0.02 0.00 -0.60 0.00 0.00 56.93 56.95 1s5k s PHE 132 Cb 0.00 -2.10 -0.00 0.00 0.51 0.00 0.00 43.02 41.43 1s5k s PHE 132 CO 0.00 0.01 -0.18 -2.00 0.70 0.00 0.00 175.22 173.75 1s5k s GLU 133 N -4.19 3.20 0.22 0.44 2.56 -1.26 -4.28 118.70 115.40 1s5k s GLU 133 Ca 0.44 -0.78 -0.31 0.00 0.00 0.00 0.00 54.97 54.32 1s5k s GLU 133 Cb -0.10 -2.50 -0.10 0.00 2.00 0.00 0.00 34.13 33.42 1s5k s GLU 133 CO 0.36 0.13 1.53 -2.00 -0.56 0.00 0.00 175.26 174.73 1s5k s GLU 134 N 0.50 4.21 -0.13 4.30 2.12 -1.26 -4.92 118.70 123.52 1s5k s GLU 134 Ca -0.12 2.39 -0.11 0.00 0.36 0.00 0.00 54.97 57.48 1s5k s GLU 134 Cb -0.16 -3.11 -0.06 0.00 0.26 0.00 0.00 34.13 31.06 1s5k s GLU 134 CO 0.05 -0.55 -0.25 0.25 -0.54 0.00 0.00 175.26 174.22 1s5k n THR 135 N 3.05 1.28 -3.60 -1.70 -2.24 -1.26 -5.10 114.28 104.72 1s5k n THR 135 Ca 0.10 0.03 -0.11 0.00 -2.27 0.00 0.00 64.05 61.80 1s5k n THR 135 Cb 0.39 -1.98 -0.04 0.00 -2.10 0.00 0.00 70.33 66.60 1s5k n THR 135 CO 0.00 0.00 0.00 -1.83 -0.57 0.00 0.00 175.07 172.67 1s5k s GLU 136 N -2.52 1.09 -0.04 -0.78 -1.05 -1.26 -5.00 118.70 109.13 1s5k s GLU 136 Ca -0.23 -0.60 0.02 0.00 -0.15 0.00 0.00 54.97 54.01 1s5k s GLU 136 Cb 0.06 0.48 -0.03 0.00 -0.44 0.00 0.00 34.13 34.20 1s5k s GLU 136 CO 0.31 -0.43 -0.08 1.03 0.95 0.00 0.00 175.26 177.05 1s5k s ARG 137 N -3.58 2.63 0.07 -4.83 0.52 -1.26 -5.05 118.95 107.46 1s5k s ARG 137 Ca 0.01 -0.63 -0.10 0.00 -0.52 0.00 0.00 55.73 54.48 1s5k s ARG 137 Cb 0.01 -2.52 0.01 0.00 0.52 0.00 0.00 34.95 32.96 1s5k s ARG 137 CO -0.11 0.64 0.23 0.14 0.02 0.00 0.00 175.30 176.22 1s5k s VAL 138 N -0.86 0.12 -0.11 3.52 -7.23 -1.26 -5.14 120.40 109.43 1s5k s VAL 138 Ca 0.14 -0.95 -0.02 0.00 -1.81 0.00 0.00 61.98 59.33 1s5k s VAL 138 Cb -0.11 -1.14 -0.03 0.00 0.56 0.00 0.00 36.38 35.66 1s5k s VAL 138 CO 0.03 -0.53 -0.02 -0.63 -0.31 0.00 0.00 175.10 173.65 1s5k s ILE 139 N -3.27 4.11 0.03 -0.62 1.01 -1.26 -5.11 121.20 116.09 1s5k s ILE 139 Ca 0.00 -0.30 0.02 0.00 0.00 0.00 0.00 60.65 60.36 1s5k s ILE 139 Cb 0.02 -2.75 -0.04 0.00 0.01 0.00 0.00 42.46 39.70 1s5k s ILE 139 CO -0.08 0.56 0.05 -0.36 0.00 0.00 0.00 174.94 175.11 1s5k s PHE 140 N -0.39 3.18 0.30 3.97 0.08 -1.26 -5.12 117.98 118.75 1s5k s PHE 140 Ca 0.07 0.12 0.06 0.00 0.12 0.00 0.00 56.93 57.29 1s5k s PHE 140 Cb -0.12 -1.67 -0.06 0.00 -0.57 0.00 0.00 43.02 40.60 1s5k s PHE 140 CO 0.02 0.51 -0.01 0.71 -0.10 0.00 0.00 175.22 176.35 1s5k s TYR 141 N -1.23 1.99 -0.05 0.36 2.02 -1.26 -5.16 117.35 114.02 1s5k s TYR 141 Ca 0.24 -0.79 -0.30 0.00 -0.37 0.00 0.00 57.07 55.85 1s5k s TYR 141 Cb -0.12 -1.22 0.08 0.00 -0.40 0.00 0.00 41.96 40.30 1s5k s TYR 141 CO 0.16 0.20 0.73 0.50 -1.57 0.00 0.00 175.55 175.56 1s5k s ARG 142 N -3.78 1.00 -0.18 -0.62 3.52 -1.26 -5.15 118.95 112.48 1s5k s ARG 142 Ca 0.32 0.17 -0.09 0.00 -0.13 0.00 0.00 55.73 56.00 1s5k s ARG 142 Cb 0.06 0.47 0.06 0.00 -1.56 0.00 0.00 34.95 33.99 1s5k s ARG 142 CO 0.13 -0.33 0.42 0.21 -0.81 0.00 0.00 175.30 174.92 1s5k s LYS 143 N -1.45 0.39 0.40 5.12 2.20 -1.26 -5.14 119.74 120.00 1s5k s LYS 143 Ca -0.08 0.83 -0.25 0.00 -0.36 0.00 0.00 55.97 56.11 1s5k s LYS 143 Cb -0.00 0.03 -0.08 0.00 -1.51 0.00 0.00 37.83 36.26 1s5k s LYS 143 CO 0.06 -0.17 1.12 -0.98 -0.36 0.00 0.00 175.35 175.02 1s5k s ARG 144 N 1.59 4.08 0.00 4.03 1.70 -1.26 -5.38 118.95 123.71 1s5k s ARG 144 Ca -0.08 1.71 0.27 0.00 -0.47 0.00 0.00 55.73 57.16 1s5k s ARG 144 Cb -0.09 -2.61 0.90 0.00 -0.57 0.00 0.00 34.95 32.58 1s5k s ARG 144 CO -0.13 -0.26 1.66 0.00 -1.08 0.00 0.00 175.30 175.49