#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3knf s ARG 2 N 0.00 0.47 -0.04 2.12 0.52 -1.04 -1.26 118.95 119.73 3knf s ARG 2 Ca 0.00 0.03 0.03 0.00 -0.52 0.00 0.00 55.73 55.27 3knf s ARG 2 Cb 0.00 -0.62 0.00 0.00 0.52 0.00 0.00 34.95 34.85 3knf s ARG 2 CO 0.00 -0.14 -0.12 0.54 0.02 0.00 0.00 175.30 175.61 3knf s VAL 3 N 1.08 1.04 -0.90 3.52 0.11 -0.51 -0.81 120.40 123.93 3knf s VAL 3 Ca -0.09 -0.48 -0.05 0.00 -2.93 0.00 0.00 61.98 58.43 3knf s VAL 3 Cb -0.14 -0.92 0.23 0.00 -1.53 0.00 0.00 36.38 34.02 3knf s VAL 3 CO -0.01 0.32 0.81 -0.69 -3.33 0.00 0.00 175.10 172.19 3knf s VAL 4 N 0.31 4.84 0.29 2.04 1.01 -1.14 -2.40 120.40 125.34 3knf s VAL 4 Ca -0.07 -3.43 -0.29 0.00 0.00 0.00 0.00 61.98 58.19 3knf s VAL 4 Cb -0.12 -3.99 -0.10 0.00 0.00 0.00 0.00 36.38 32.18 3knf s VAL 4 CO 0.02 -1.07 1.22 -0.63 0.00 0.00 0.00 175.10 174.63 3knf s ILE 5 N -0.93 3.14 -0.06 2.22 1.01 -0.97 -3.43 121.20 122.16 3knf s ILE 5 Ca 0.25 1.10 -0.03 0.00 0.00 0.00 0.00 60.65 61.98 3knf s ILE 5 Cb -0.10 -3.70 0.04 0.00 0.01 0.00 0.00 42.46 38.70 3knf s ILE 5 CO -0.09 0.25 0.13 -1.10 0.00 0.00 0.00 174.94 174.12 3knf s GLN 6 N -1.35 0.05 -0.15 2.79 -0.21 -0.21 -2.07 119.66 118.51 3knf s GLN 6 Ca 0.48 0.41 -0.29 0.00 0.02 0.00 0.00 55.36 55.98 3knf s GLN 6 Cb -0.36 -0.24 -0.00 0.00 1.00 0.00 0.00 33.01 33.41 3knf s GLN 6 CO 0.45 -0.22 1.01 0.50 -2.12 0.00 0.00 175.29 174.92 3knf s ARG 7 N 1.57 4.36 0.16 2.91 3.52 -0.94 -2.47 118.95 128.07 3knf s ARG 7 Ca -0.04 1.37 0.06 0.00 -0.13 0.00 0.00 55.73 56.99 3knf s ARG 7 Cb -0.12 -3.58 -0.04 0.00 -1.56 0.00 0.00 34.95 29.65 3knf s ARG 7 CO -0.05 -0.42 -0.13 0.14 -0.81 0.00 0.00 175.30 174.02 3knf s VAL 8 N 2.43 1.46 -0.74 7.11 -7.23 0.63 -0.28 120.40 123.77 3knf s VAL 8 Ca 0.47 -2.02 0.24 0.00 -1.81 0.00 0.00 61.98 58.86 3knf s VAL 8 Cb -0.17 -1.84 0.04 0.00 0.56 0.00 0.00 36.38 34.97 3knf s VAL 8 CO 0.14 -0.58 1.35 0.29 -0.31 0.00 0.00 175.10 175.99 3knf n LYS 9 N -0.05 0.21 0.00 4.82 4.76 0.38 -1.30 118.16 126.99 3knf n LYS 9 Ca -0.11 0.06 0.00 0.00 -2.87 0.00 0.00 58.31 55.39 3knf n LYS 9 Cb 0.59 -1.63 0.00 0.00 -1.84 0.00 0.00 35.03 32.15 3knf n LYS 9 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3knf n GLY 10 N 1.38 2.70 2.87 0.72 0.00 -1.25 -0.21 105.19 111.40 3knf n GLY 10 Ca 0.04 -0.31 -0.13 0.00 0.00 0.00 0.00 46.02 45.62 3knf n GLY 10 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3knf s ALA 11 N -1.60 -0.05 -0.23 4.61 0.00 -0.54 -1.96 121.76 121.99 3knf s ALA 11 Ca 0.00 0.18 0.02 0.00 0.00 0.00 0.00 51.96 52.16 3knf s ALA 11 Cb 0.00 -0.13 0.05 0.00 0.00 0.00 0.00 23.12 23.04 3knf s ALA 11 CO 0.00 -0.05 -0.10 0.42 0.00 0.00 0.00 175.76 176.03 3knf s ILE 12 N 0.37 1.89 0.04 0.00 1.01 0.57 -1.35 121.20 123.73 3knf s ILE 12 Ca -0.03 -1.34 -0.15 0.00 0.00 0.00 0.00 60.65 59.13 3knf s ILE 12 Cb -0.04 -2.00 -0.06 0.00 0.01 0.00 0.00 42.46 40.36 3knf s ILE 12 CO -0.01 0.05 0.46 -0.22 0.00 0.00 0.00 174.94 175.22 3knf s LEU 13 N 1.25 4.47 0.02 2.97 0.20 0.17 -1.33 118.68 126.44 3knf s LEU 13 Ca -0.05 1.04 0.03 0.00 0.69 0.00 0.00 54.13 55.83 3knf s LEU 13 Cb -0.18 -2.75 -0.02 0.00 -0.43 0.00 0.00 46.19 42.81 3knf s LEU 13 CO -0.07 0.28 -0.09 -0.44 -0.29 0.00 0.00 176.35 175.75 3knf s SER 14 N -1.19 1.03 0.34 3.68 0.01 -0.74 -2.29 113.70 114.54 3knf s SER 14 Ca 0.27 -0.36 0.06 0.00 1.31 0.00 0.00 55.95 57.23 3knf s SER 14 Cb -0.17 -0.05 -0.07 0.00 0.21 0.00 0.00 66.02 65.95 3knf s SER 14 CO 0.16 -0.03 -0.00 0.68 0.41 0.00 0.00 173.24 174.45 3knf s VAL 15 N -0.77 1.63 -0.23 3.43 -7.23 -0.61 -1.20 120.40 115.41 3knf s VAL 15 Ca -0.02 -2.05 -0.11 0.00 -1.81 0.00 0.00 61.98 57.98 3knf s VAL 15 Cb -0.07 -2.74 -0.05 0.00 0.56 0.00 0.00 36.38 34.09 3knf s VAL 15 CO 0.00 -0.10 0.20 -0.13 -0.31 0.00 0.00 175.10 174.76 3knf s ARG 16 N -3.77 4.10 -0.12 4.82 0.52 -1.26 -0.52 118.95 122.72 3knf s ARG 16 Ca 0.34 -0.18 -0.04 0.00 -0.52 0.00 0.00 55.73 55.33 3knf s ARG 16 Cb 0.07 -3.52 -0.03 0.00 0.52 0.00 0.00 34.95 31.98 3knf s ARG 16 CO 0.15 0.07 0.02 -0.51 0.02 0.00 0.00 175.30 175.06 3knf s LEU 27 N 1.01 3.65 -0.02 2.53 1.43 -1.26 -5.11 118.68 120.91 3knf s LEU 27 Ca 0.10 0.11 0.05 0.00 -1.03 0.00 0.00 54.13 53.36 3knf s LEU 27 Cb -0.13 -1.87 -0.01 0.00 0.03 0.00 0.00 46.19 44.21 3knf s LEU 27 CO 0.04 0.29 -0.17 -1.83 0.23 0.00 0.00 176.35 174.92 3knf s GLU 28 N -0.37 1.43 -0.20 1.70 -1.05 0.32 -5.11 118.70 115.41 3knf s GLU 28 Ca 0.08 -0.60 -0.29 0.00 -0.15 0.00 0.00 54.97 54.01 3knf s GLU 28 Cb -0.12 -1.36 -0.01 0.00 -0.44 0.00 0.00 34.13 32.20 3knf s GLU 28 CO 0.02 0.34 1.26 0.42 0.95 0.00 0.00 175.26 178.25 3knf s ILE 29 N -0.31 4.27 -0.04 1.83 -1.09 -1.26 -1.58 121.20 123.02 3knf s ILE 29 Ca 0.05 1.51 0.01 0.00 -2.23 0.00 0.00 60.65 59.99 3knf s ILE 29 Cb -0.07 -4.05 -0.02 0.00 -1.58 0.00 0.00 42.46 36.74 3knf s ILE 29 CO -0.00 -0.22 0.04 2.30 -1.23 0.00 0.00 174.94 175.84 3knf n ILE 30 N 5.57 0.00 -3.98 2.92 -0.00 -0.97 -4.98 119.36 117.92 3knf n ILE 30 Ca 0.14 -0.32 -0.09 0.00 -0.00 0.00 0.00 62.75 62.48 3knf n ILE 30 Cb 0.45 0.81 -0.11 0.00 -0.00 0.00 0.00 39.64 40.80 3knf n ILE 30 CO 0.00 0.00 0.00 -0.44 -0.00 0.00 0.00 176.55 176.11 3knf s SER 31 N -1.48 0.24 -0.13 7.28 0.01 -1.20 -5.00 113.70 113.44 3knf s SER 31 Ca 0.00 -0.53 -0.30 0.00 1.31 0.00 0.00 55.95 56.43 3knf s SER 31 Cb 0.01 0.13 0.12 0.00 0.21 0.00 0.00 66.02 66.49 3knf s SER 31 CO 0.05 -0.36 0.97 -0.70 0.41 0.00 0.00 173.24 173.61 3knf s GLU 32 N -1.85 0.64 0.26 12.44 2.12 -1.26 -0.65 118.70 130.40 3knf s GLU 32 Ca -0.12 0.06 -0.10 0.00 0.36 0.00 0.00 54.97 55.18 3knf s GLU 32 Cb -0.07 0.30 -0.01 0.00 0.26 0.00 0.00 34.13 34.62 3knf s GLU 32 CO -0.02 -0.22 0.44 0.96 -0.54 0.00 0.00 175.26 175.88 3knf s ILE 33 N -1.51 0.00 0.00 -3.70 -4.36 -0.46 -4.94 121.20 106.23 3knf s ILE 33 Ca -0.01 -1.51 0.00 0.00 -0.26 0.00 0.00 60.65 58.87 3knf s ILE 33 Cb -0.01 -2.34 0.00 0.00 1.25 0.00 0.00 42.46 41.37 3knf s ILE 33 CO -0.00 0.00 0.00 0.29 0.24 0.00 0.00 174.94 175.47 3knf n LYS 34 N -0.40 4.00 -0.72 0.37 4.76 -1.26 -1.47 118.16 123.43 3knf n LYS 34 Ca -0.01 0.00 -0.25 0.00 -2.87 0.00 0.00 58.31 55.19 3knf n LYS 34 Cb 0.62 0.00 -0.02 0.00 -1.84 0.00 0.00 35.03 33.80 3knf n LYS 34 CO 0.00 0.00 0.00 0.09 -1.37 0.00 0.00 177.40 176.12 3knf n ASN 35 N 0.00 -0.65 0.00 4.39 3.02 0.71 -3.82 115.26 118.91 3knf n ASN 35 Ca 0.00 0.58 0.00 0.00 -0.03 0.00 0.00 54.58 55.13 3knf n ASN 35 Cb 0.00 -0.49 0.00 0.00 -0.61 0.00 0.00 39.78 38.68 3knf n ASN 35 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3knf n GLY 36 N 1.03 0.67 3.07 7.41 0.00 -0.42 -2.70 105.19 114.26 3knf n GLY 36 Ca 0.09 -1.57 -0.18 0.00 0.00 0.00 0.00 46.02 44.36 3knf n GLY 36 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3knf n LEU 37 N 0.00 0.00 -3.58 0.99 4.77 -0.71 -0.27 117.00 118.19 3knf n LEU 37 Ca 0.00 -2.11 -0.02 0.00 -0.03 0.00 0.00 56.01 53.85 3knf n LEU 37 Cb 0.00 -0.21 -0.05 0.00 -2.33 0.00 0.00 43.42 40.82 3knf n LEU 37 CO 0.00 -0.61 0.47 -0.51 -1.33 0.00 0.00 177.39 175.42 3knf s ILE 38 N -1.99 -0.40 -0.09 -0.08 2.07 -1.03 -3.53 121.20 116.15 3knf s ILE 38 Ca 0.39 0.00 0.01 0.00 -1.41 0.00 0.00 60.65 59.64 3knf s ILE 38 Cb -0.03 -1.00 0.02 0.00 0.13 0.00 0.00 42.46 41.58 3knf s ILE 38 CO 0.25 0.00 -0.11 0.00 -1.91 0.00 0.00 174.94 173.17 3knf s PHE 40 N 1.14 2.94 -0.12 0.00 0.08 -1.22 -1.90 117.98 118.90 3knf s PHE 40 Ca -0.05 -0.58 -0.18 0.00 0.12 0.00 0.00 56.93 56.24 3knf s PHE 40 Cb -0.14 -3.85 -0.04 0.00 -0.57 0.00 0.00 43.02 38.41 3knf s PHE 40 CO -0.02 -1.24 0.47 -1.17 -0.10 0.00 0.00 175.22 173.16 3knf s LEU 41 N 3.04 4.27 -0.19 -0.37 0.20 -0.01 -2.86 118.68 122.76 3knf s LEU 41 Ca 0.17 0.80 -0.05 0.00 0.69 0.00 0.00 54.13 55.75 3knf s LEU 41 Cb -0.19 -2.69 -0.02 0.00 -0.43 0.00 0.00 46.19 42.86 3knf s LEU 41 CO 0.11 -0.00 -0.01 -0.83 -0.29 0.00 0.00 176.35 175.33 3knf s GLY 42 N 0.64 1.72 -0.26 7.98 0.00 0.01 0.73 107.32 118.13 3knf s GLY 42 Ca 0.26 -0.95 -0.14 0.00 0.00 0.00 0.00 44.72 43.89 3knf s GLY 42 CO 0.10 0.16 0.34 -0.42 0.00 0.00 0.00 173.10 173.28 3knf s ILE 43 N 0.84 5.21 0.55 0.90 -1.09 -1.26 -2.48 121.20 123.86 3knf s ILE 43 Ca 0.00 0.51 -0.11 0.00 -2.23 0.00 0.00 60.65 58.82 3knf s ILE 43 Cb -0.14 -3.67 -0.05 0.00 -1.58 0.00 0.00 42.46 37.02 3knf s ILE 43 CO 0.02 0.19 0.95 -2.28 -1.23 0.00 0.00 174.94 172.59 3knf s HIS 44 N 1.88 3.57 0.40 3.97 5.65 -1.26 -1.77 115.29 127.73 3knf s HIS 44 Ca 0.14 1.21 0.12 0.00 0.25 0.00 0.00 55.06 56.78 3knf s HIS 44 Cb -0.16 -2.63 0.84 0.00 -1.18 0.00 0.00 32.58 29.46 3knf s HIS 44 CO 0.09 -0.49 1.92 1.57 -0.65 0.00 0.00 174.74 177.19 3knf h LYS 45 N 0.19 0.11 -0.40 2.88 2.10 -1.04 -3.10 116.57 117.31 3knf h LYS 45 Ca -0.45 -0.03 0.00 0.00 -2.00 0.00 0.00 60.65 58.17 3knf h LYS 45 Cb 1.19 -0.01 0.00 0.00 -0.90 0.00 0.00 32.23 32.51 3knf h LYS 45 CO 0.62 0.31 0.00 0.09 -2.00 0.00 0.00 179.45 178.47 3knf n ASN 46 N -4.25 3.21 -4.75 7.07 3.02 -1.26 -4.87 115.26 113.43 3knf n ASN 46 Ca -0.02 -2.10 -0.42 0.00 -0.03 0.00 0.00 54.58 52.02 3knf n ASN 46 Cb 0.29 -0.30 -0.01 0.00 -0.61 0.00 0.00 39.78 39.15 3knf n ASN 46 CO 0.00 0.00 0.00 0.47 -2.62 0.00 0.00 177.26 175.11 3knf n ASP 47 N 0.60 3.52 -4.86 6.41 8.00 -1.17 -4.98 116.55 124.06 3knf n ASP 47 Ca 0.15 1.21 -0.22 0.00 0.71 0.00 0.00 54.79 56.63 3knf n ASP 47 Cb 0.51 -1.58 -0.03 0.00 -0.02 0.00 0.00 41.12 40.00 3knf n ASP 47 CO 0.00 0.00 0.00 0.42 -0.39 0.00 0.00 177.20 177.23 3knf s THR 48 N -0.90 2.42 0.36 -3.53 -4.23 -1.26 -4.99 115.64 103.51 3knf s THR 48 Ca 0.56 -1.43 0.08 0.00 -1.18 0.00 0.00 61.69 59.73 3knf s THR 48 Cb -0.51 -2.85 0.13 0.00 1.34 0.00 0.00 72.50 70.62 3knf s THR 48 CO 0.61 0.00 1.86 -0.25 -0.54 0.00 0.00 174.62 176.30 3knf h TRP 49 N 1.04 0.29 0.00 3.99 -0.00 -2.01 -1.51 115.95 117.75 3knf h TRP 49 Ca -0.41 -0.04 -0.05 0.00 -0.00 0.00 0.00 58.89 58.39 3knf h TRP 49 Cb 1.27 -0.08 -0.01 0.00 -0.00 0.00 0.00 29.16 30.34 3knf h TRP 49 CO 0.61 0.44 -0.25 0.93 -0.00 0.00 0.00 178.44 180.17 3knf h GLU 50 N 0.25 0.00 0.22 2.65 4.39 -1.99 -1.90 114.58 118.20 3knf h GLU 50 Ca 0.05 0.00 -0.01 0.00 0.34 0.00 0.00 59.36 59.74 3knf h GLU 50 Cb 0.46 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.10 3knf h GLU 50 CO 0.03 0.25 -0.23 -0.44 -1.16 0.00 0.00 179.01 177.45 3knf h ASP 51 N 0.00 -0.64 -0.55 1.42 3.32 -1.66 -3.02 116.42 115.29 3knf h ASP 51 Ca -0.00 0.05 0.03 0.00 0.02 0.00 0.00 57.03 57.13 3knf h ASP 51 Cb 0.44 0.21 -0.03 0.00 0.22 0.00 0.00 39.33 40.17 3knf h ASP 51 CO 0.03 -0.30 0.36 0.00 -1.72 0.00 0.00 179.24 177.61 3knf h ALA 52 N -1.35 1.70 -0.04 3.45 0.00 -1.51 -1.22 119.26 120.30 3knf h ALA 52 Ca -0.03 -0.03 0.01 0.00 0.00 0.00 0.00 54.91 54.87 3knf h ALA 52 Cb 0.39 -0.19 -0.00 0.00 0.00 0.00 0.00 17.79 18.00 3knf h ALA 52 CO -0.04 0.25 0.15 1.25 0.00 0.00 0.00 179.25 180.86 3knf h LEU 53 N 0.66 0.00 0.00 0.00 5.85 -1.22 -1.27 115.31 119.33 3knf h LEU 53 Ca 0.22 0.00 -0.09 0.00 0.84 0.00 0.00 57.88 58.84 3knf h LEU 53 Cb 0.05 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.07 3knf h LEU 53 CO -0.05 0.00 -0.58 0.22 -0.34 0.00 0.00 178.44 177.69 3knf h TYR 54 N 0.00 0.00 -0.99 1.25 3.20 -1.18 -3.14 116.97 116.11 3knf h TYR 54 Ca 0.02 0.00 0.37 0.00 3.14 0.00 0.00 58.73 62.26 3knf h TYR 54 Cb 0.32 0.00 -0.17 0.00 1.54 0.00 0.00 36.73 38.42 3knf h TYR 54 CO 0.00 0.91 0.45 0.82 -1.64 0.00 0.00 178.16 178.70 3knf h ILE 55 N -1.00 0.08 0.24 1.81 1.08 -1.14 -0.87 117.51 117.70 3knf h ILE 55 Ca -0.14 -0.03 -0.01 0.00 -0.39 0.00 0.00 64.86 64.29 3knf h ILE 55 Cb 0.91 -0.00 0.00 0.00 -3.07 0.00 0.00 36.82 34.66 3knf h ILE 55 CO -0.08 0.01 -0.11 0.40 -0.69 0.00 0.00 178.15 177.68 3knf h ILE 56 N 0.07 0.29 -0.78 -0.67 2.04 -1.40 -1.21 117.51 115.86 3knf h ILE 56 Ca 0.77 -0.90 0.07 0.00 1.00 0.00 0.00 64.86 65.81 3knf h ILE 56 Cb 1.92 0.50 -0.09 0.00 -0.74 0.00 0.00 36.82 38.41 3knf h ILE 56 CO -0.76 0.08 -0.46 -1.14 0.00 0.00 0.00 178.15 175.88 3knf n ARG 57 N -4.98 -0.34 0.45 2.37 0.63 -0.62 0.79 116.66 114.96 3knf n ARG 57 Ca -0.06 1.19 -0.19 0.00 -0.92 0.00 0.00 57.85 57.88 3knf n ARG 57 Cb 0.19 -1.75 -0.09 0.00 0.45 0.00 0.00 32.46 31.26 3knf n ARG 57 CO 0.00 0.00 0.00 0.87 -2.51 0.00 0.00 177.63 175.99 3knf h LYS 58 N 0.00 -1.10 -0.90 -0.14 1.79 -1.30 0.55 116.57 115.47 3knf h LYS 58 Ca 0.12 0.07 0.26 0.00 -2.18 0.00 0.00 60.65 58.93 3knf h LYS 58 Cb 0.32 0.25 -0.04 0.00 -1.58 0.00 0.00 32.23 31.18 3knf h LYS 58 CO -0.73 -0.72 0.96 0.00 -1.08 0.00 0.00 179.45 177.87 3knf n LEU 60 N -3.50 0.00 -0.00 0.00 4.77 0.24 -4.67 117.00 113.84 3knf n LEU 60 Ca 0.20 0.00 0.01 0.00 -0.03 0.00 0.00 56.01 56.19 3knf n LEU 60 Cb 1.25 0.33 -0.02 0.00 -2.33 0.00 0.00 43.42 42.65 3knf n LEU 60 CO 0.27 0.33 -0.33 0.59 -1.33 0.00 0.00 177.39 176.93 3knf n ASN 61 N -2.57 2.65 -4.59 -1.43 3.02 0.18 -4.25 115.26 108.28 3knf n ASN 61 Ca -0.23 -0.23 -0.48 0.00 -0.03 0.00 0.00 54.58 53.62 3knf n ASN 61 Cb 0.95 1.08 -0.03 0.00 -0.61 0.00 0.00 39.78 41.17 3knf n ASN 61 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 3knf n LEU 62 N -1.39 1.73 -4.39 3.41 4.77 0.63 -4.64 117.00 117.13 3knf n LEU 62 Ca -0.00 1.15 -0.45 0.00 -0.03 0.00 0.00 56.01 56.68 3knf n LEU 62 Cb 0.07 -1.25 -0.05 0.00 -2.33 0.00 0.00 43.42 39.85 3knf n LEU 62 CO 0.06 -1.24 0.29 -0.13 -1.33 0.00 0.00 177.39 175.04 3knf s ARG 63 N -0.60 3.05 0.00 3.23 0.52 -1.26 -4.24 118.95 119.65 3knf s ARG 63 Ca 0.70 -1.27 0.00 0.00 -0.52 0.00 0.00 55.73 54.64 3knf s ARG 63 Cb -0.80 -4.21 0.00 0.00 0.52 0.00 0.00 34.95 30.46 3knf s ARG 63 CO 0.53 -1.35 0.01 1.28 0.02 0.00 0.00 175.30 175.79 3knf n LEU 64 N 5.96 0.02 -4.69 2.53 4.77 0.29 -4.11 117.00 121.77 3knf n LEU 64 Ca -0.10 -0.30 -0.35 0.00 -0.03 0.00 0.00 56.01 55.23 3knf n LEU 64 Cb 0.43 0.00 -0.09 0.00 -2.33 0.00 0.00 43.42 41.43 3knf n LEU 64 CO 0.55 0.01 -0.25 0.26 -1.33 0.00 0.00 177.39 176.62 3knf s TRP 65 N -0.56 3.29 -0.70 -1.77 0.51 -1.04 -4.70 118.94 113.96 3knf s TRP 65 Ca 0.00 0.18 -0.26 0.00 -2.12 0.00 0.00 56.10 53.89 3knf s TRP 65 Cb 0.00 -1.97 0.04 0.00 -0.81 0.00 0.00 33.47 30.72 3knf s TRP 65 CO 0.00 0.34 1.22 -0.80 -0.51 0.00 0.00 176.95 177.20 3knf s ASN 66 N -0.22 6.20 -0.71 2.95 0.01 -1.26 -1.66 114.94 120.25 3knf s ASN 66 Ca 0.08 -0.45 -0.27 0.00 -0.71 0.00 0.00 52.86 51.51 3knf s ASN 66 Cb -0.12 -2.54 0.01 0.00 0.41 0.00 0.00 41.25 39.01 3knf s ASN 66 CO 0.01 -1.72 1.51 0.21 -1.51 0.00 0.00 177.10 175.60 3knf s ASN 67 N 3.61 5.83 0.19 -1.22 2.47 -1.24 -4.94 114.94 119.63 3knf s ASN 67 Ca 0.34 -0.22 -0.07 0.00 0.42 0.00 0.00 52.86 53.33 3knf s ASN 67 Cb -0.09 -2.55 -0.06 0.00 -1.45 0.00 0.00 41.25 37.10 3knf s ASN 67 CO 0.16 -2.04 -0.05 -0.67 -3.72 0.00 0.00 177.10 170.77 3knf n ASP 68 N 10.69 -1.36 0.00 -4.21 2.03 -1.26 -2.04 116.55 120.39 3knf n ASP 68 Ca 0.11 0.24 0.00 0.00 0.52 0.00 0.00 54.79 55.66 3knf n ASP 68 Cb 0.50 -0.31 0.00 0.00 -0.72 0.00 0.00 41.12 40.59 3knf n ASP 68 CO 0.00 0.00 0.00 0.59 -1.92 0.00 0.00 177.20 175.87 3knf n ASN 69 N 0.93 0.00 -3.85 1.67 3.02 -1.26 -4.93 115.26 110.84 3knf n ASN 69 Ca 0.03 0.00 -0.09 0.00 -0.03 0.00 0.00 54.58 54.49 3knf n ASN 69 Cb 0.17 -0.27 -0.08 0.00 -0.61 0.00 0.00 39.78 38.99 3knf n ASN 69 CO 0.00 0.00 0.00 -0.54 -2.62 0.00 0.00 177.26 174.10 3knf s LYS 70 N -0.07 0.80 0.18 3.52 1.02 -0.87 -5.18 119.74 119.15 3knf s LYS 70 Ca 0.00 -0.86 0.06 0.00 0.02 0.00 0.00 55.97 55.20 3knf s LYS 70 Cb 0.00 0.33 -0.05 0.00 -0.52 0.00 0.00 37.83 37.59 3knf s LYS 70 CO 0.00 -0.25 -0.13 0.95 -0.92 0.00 0.00 175.35 175.01 3knf s THR 71 N -3.47 1.51 -1.53 2.17 -4.23 -1.26 -3.74 115.64 105.10 3knf s THR 71 Ca 0.02 -2.15 -0.01 0.00 -1.18 0.00 0.00 61.69 58.36 3knf s THR 71 Cb 0.03 -1.97 0.01 0.00 1.34 0.00 0.00 72.50 71.91 3knf s THR 71 CO -0.09 -0.65 0.14 0.79 -0.54 0.00 0.00 174.62 174.27 3knf n TRP 72 N -0.31 -1.37 -0.05 3.99 7.02 -1.26 -4.82 117.44 120.64 3knf n TRP 72 Ca -0.09 0.65 -0.06 0.00 -1.02 0.00 0.00 57.50 56.98 3knf n TRP 72 Cb 0.60 -3.02 -0.02 0.00 -2.42 0.00 0.00 31.31 26.45 3knf n TRP 72 CO 0.00 0.00 0.00 -3.47 -2.02 0.00 0.00 177.69 172.20 3knf n ASP 73 N -2.90 1.65 -4.97 -0.99 2.03 -1.03 -4.62 116.55 105.73 3knf n ASP 73 Ca -0.30 0.27 -0.22 0.00 0.52 0.00 0.00 54.79 55.06 3knf n ASP 73 Cb 0.68 -0.62 0.01 0.00 -0.72 0.00 0.00 41.12 40.47 3knf n ASP 73 CO 0.00 0.00 0.00 -0.54 -1.92 0.00 0.00 177.20 174.74 3knf s LYS 74 N -2.60 2.98 0.34 -0.67 -0.14 -0.66 -4.70 119.74 114.28 3knf s LYS 74 Ca -0.20 -0.67 0.06 0.00 -1.36 0.00 0.00 55.97 53.80 3knf s LYS 74 Cb 0.03 -2.60 -0.07 0.00 -1.68 0.00 0.00 37.83 33.51 3knf s LYS 74 CO 0.30 -0.28 -0.01 0.54 -0.76 0.00 0.00 175.35 175.14 3knf s ASN 75 N -4.25 3.06 0.27 2.83 2.20 -1.26 -0.55 114.94 117.25 3knf s ASN 75 Ca 0.49 -1.30 -0.10 0.00 -0.94 0.00 0.00 52.86 51.02 3knf s ASN 75 Cb -0.10 -0.23 0.42 0.00 -2.00 0.00 0.00 41.25 39.34 3knf s ASN 75 CO 0.36 -0.44 1.56 1.33 -2.94 0.00 0.00 177.10 176.97 3knf n VAL 76 N -0.74 -0.44 -0.08 3.54 0.24 -1.26 0.07 118.33 119.65 3knf n VAL 76 Ca -0.04 2.29 -0.10 0.00 -2.04 0.00 0.00 64.34 64.45 3knf n VAL 76 Cb 0.65 -3.15 -0.03 0.00 -1.47 0.00 0.00 33.84 29.84 3knf n VAL 76 CO 0.00 0.00 0.00 0.11 -2.14 0.00 0.00 176.83 174.80 3knf h LYS 77 N 0.00 0.39 -0.60 7.34 1.57 -1.84 0.44 116.57 123.86 3knf h LYS 77 Ca 0.46 -0.06 0.17 0.00 -1.87 0.00 0.00 60.65 59.35 3knf h LYS 77 Cb 0.70 -0.07 -0.02 0.00 0.08 0.00 0.00 32.23 32.92 3knf h LYS 77 CO -1.02 0.38 0.43 -0.44 -0.57 0.00 0.00 179.45 178.23 3knf h ASP 78 N 0.30 0.01 -0.55 0.86 3.32 -0.71 0.36 116.42 120.01 3knf h ASP 78 Ca 0.09 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.14 3knf h ASP 78 Cb 0.12 -0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.67 3knf h ASP 78 CO -0.01 0.01 0.00 0.18 -1.72 0.00 0.00 179.24 177.70 3knf n LEU 79 N -4.36 4.09 -3.77 1.55 4.77 -0.46 -4.91 117.00 113.90 3knf n LEU 79 Ca 0.11 -2.32 -0.32 0.00 -0.03 0.00 0.00 56.01 53.46 3knf n LEU 79 Cb 0.67 -0.48 0.03 0.00 -2.33 0.00 0.00 43.42 41.31 3knf n LEU 79 CO 0.37 0.82 -0.11 -3.20 -1.33 0.00 0.00 177.39 173.94 3knf n ASN 80 N 0.91 -4.25 -4.82 -1.43 4.05 0.13 -4.97 115.26 104.88 3knf n ASN 80 Ca 0.22 -1.04 -0.26 0.00 0.45 0.00 0.00 54.58 53.95 3knf n ASN 80 Cb 0.73 -3.15 -0.04 0.00 1.23 0.00 0.00 39.78 38.55 3knf n ASN 80 CO 0.00 0.00 0.00 -0.31 -3.05 0.00 0.00 177.26 173.90 3knf s TYR 81 N -3.56 2.19 0.55 1.20 2.02 0.15 -5.01 117.35 114.88 3knf s TYR 81 Ca 0.39 -0.70 0.08 0.00 -0.37 0.00 0.00 57.07 56.47 3knf s TYR 81 Cb -0.15 -1.94 0.06 0.00 -0.40 0.00 0.00 41.96 39.54 3knf s TYR 81 CO 0.88 -0.09 0.67 -1.21 -1.57 0.00 0.00 175.55 174.22 3knf s GLU 82 N -4.07 2.35 0.06 -0.62 2.02 -1.10 -4.70 118.70 112.64 3knf s GLU 82 Ca 0.36 -1.69 -0.03 0.00 0.02 0.00 0.00 54.97 53.63 3knf s GLU 82 Cb 0.00 -2.52 -0.03 0.00 0.10 0.00 0.00 34.13 31.69 3knf s GLU 82 CO 0.21 -0.73 0.03 -0.51 0.02 0.00 0.00 175.26 174.28 3knf s LEU 83 N -4.53 2.19 -0.35 1.80 1.02 -0.59 -1.74 118.68 116.47 3knf s LEU 83 Ca 0.54 -0.86 0.01 0.00 0.02 0.00 0.00 54.13 53.85 3knf s LEU 83 Cb -0.05 0.41 0.15 0.00 0.02 0.00 0.00 46.19 46.71 3knf s LEU 83 CO 0.34 -0.60 0.30 -0.22 0.02 0.00 0.00 176.35 176.19 3knf s LEU 84 N -2.75 0.27 0.09 1.79 2.96 -1.23 -1.47 118.68 118.34 3knf s LEU 84 Ca 0.04 -1.66 -0.30 0.00 -0.22 0.00 0.00 54.13 51.99 3knf s LEU 84 Cb 0.05 0.21 -0.05 0.00 0.50 0.00 0.00 46.19 46.90 3knf s LEU 84 CO -0.09 -0.30 1.00 -0.63 -1.32 0.00 0.00 176.35 175.01 3knf s ILE 85 N 1.46 4.46 -0.18 6.68 -1.09 0.27 -2.92 121.20 129.88 3knf s ILE 85 Ca 0.16 1.97 -0.04 0.00 -2.23 0.00 0.00 60.65 60.51 3knf s ILE 85 Cb -0.18 -4.26 0.09 0.00 -1.58 0.00 0.00 42.46 36.54 3knf s ILE 85 CO -0.07 0.27 0.27 -0.69 -1.23 0.00 0.00 174.94 173.49 3knf s VAL 86 N 0.23 -0.42 0.40 2.92 1.01 -0.80 -3.63 120.40 120.13 3knf s VAL 86 Ca 0.49 0.04 -0.25 0.00 0.00 0.00 0.00 61.98 62.26 3knf s VAL 86 Cb -0.24 -0.62 -0.08 0.00 0.00 0.00 0.00 36.38 35.43 3knf s VAL 86 CO 0.30 -0.07 1.19 -0.55 0.00 0.00 0.00 175.10 175.97 3knf s SER 87 N 2.41 6.46 -0.27 3.32 0.15 -1.26 -0.83 113.70 123.69 3knf s SER 87 Ca 0.06 2.39 -0.02 0.00 0.70 0.00 0.00 55.95 59.08 3knf s SER 87 Cb -0.14 -2.62 0.12 0.00 -1.71 0.00 0.00 66.02 61.67 3knf s SER 87 CO -0.12 -0.72 0.24 -1.10 1.20 0.00 0.00 173.24 172.75 3knf s GLN 88 N -2.31 0.26 0.54 5.44 -1.52 0.22 -4.75 119.66 117.55 3knf s GLN 88 Ca 0.57 -0.15 0.32 0.00 -1.95 0.00 0.00 55.36 54.15 3knf s GLN 88 Cb -0.32 -0.90 1.49 0.00 -0.22 0.00 0.00 33.01 33.06 3knf s GLN 88 CO 0.40 -0.94 2.05 0.27 -0.25 0.00 0.00 175.29 176.82 3knf h PHE 89 N 8.31 0.00 -0.79 0.91 -5.15 -1.93 -2.95 116.94 115.34 3knf h PHE 89 Ca -0.16 0.00 0.15 0.00 -0.20 0.00 0.00 57.97 57.76 3knf h PHE 89 Cb 1.08 0.00 -0.05 0.00 0.22 0.00 0.00 35.95 37.19 3knf h PHE 89 CO 0.25 0.08 0.52 1.79 -2.00 0.00 0.00 178.31 178.95 3knf h THR 90 N 0.00 0.80 0.00 0.88 1.35 -1.93 0.46 112.91 114.47 3knf h THR 90 Ca -0.00 -0.16 0.00 0.00 -0.55 0.00 0.00 66.41 65.70 3knf h THR 90 Cb 0.41 0.28 0.00 0.00 -1.73 0.00 0.00 68.15 67.11 3knf h THR 90 CO 0.01 0.09 0.04 0.18 -0.25 0.00 0.00 175.52 175.59 3knf n LEU 91 N -4.50 0.27 -0.66 3.87 4.77 -1.11 -0.42 117.00 119.22 3knf n LEU 91 Ca 0.15 0.60 0.06 0.00 -0.03 0.00 0.00 56.01 56.80 3knf n LEU 91 Cb 0.52 -0.63 0.13 0.00 -2.33 0.00 0.00 43.42 41.11 3knf n LEU 91 CO 0.32 -0.69 0.58 0.49 -1.33 0.00 0.00 177.39 176.75 3knf n PHE 92 N -1.86 0.33 -2.20 -1.77 3.72 0.16 -4.95 117.46 110.90 3knf n PHE 92 Ca -0.01 -0.31 -0.43 0.00 -0.05 0.00 0.00 57.45 56.66 3knf n PHE 92 Cb 0.06 -0.01 -0.02 0.00 -0.94 0.00 0.00 39.48 38.56 3knf n PHE 92 CO 0.00 0.00 0.00 0.20 -0.05 0.00 0.00 176.76 176.91 3knf s GLY 93 N -1.03 1.28 0.17 1.37 0.00 0.44 -4.51 107.32 105.04 3knf s GLY 93 Ca 0.22 0.38 -0.30 0.00 0.00 0.00 0.00 44.72 45.03 3knf s GLY 93 CO 0.18 2.89 1.02 0.21 0.00 0.00 0.00 173.10 177.39 3knf s ASN 94 N 3.80 7.43 -0.25 1.64 2.47 0.15 -4.82 114.94 125.35 3knf s ASN 94 Ca 0.67 1.97 0.18 0.00 0.42 0.00 0.00 52.86 56.10 3knf s ASN 94 Cb -0.23 -2.60 0.48 0.00 -1.45 0.00 0.00 41.25 37.46 3knf s ASN 94 CO 0.27 -0.08 1.14 0.35 -3.72 0.00 0.00 177.10 175.06 3knf n THR 95 N 2.26 1.60 0.04 -5.21 -2.24 -1.26 -3.27 114.28 106.21 3knf n THR 95 Ca 0.01 -3.19 -0.14 0.00 -2.27 0.00 0.00 64.05 58.46 3knf n THR 95 Cb 0.47 0.46 -0.14 0.00 -2.10 0.00 0.00 70.33 69.02 3knf n THR 95 CO 0.00 0.00 0.00 0.11 -0.57 0.00 0.00 175.07 174.61 3knf h LYS 96 N 2.28 0.17 0.00 -0.78 1.57 -1.99 -3.44 116.57 114.38 3knf h LYS 96 Ca 0.02 -0.29 0.00 0.00 -1.87 0.00 0.00 60.65 58.51 3knf h LYS 96 Cb 1.39 0.11 0.00 0.00 0.08 0.00 0.00 32.23 33.81 3knf h LYS 96 CO 0.35 0.98 0.00 0.36 -0.57 0.00 0.00 179.45 180.56 3knf n LYS 97 N -3.36 0.00 -4.42 3.15 0.00 -1.26 -5.03 118.16 107.24 3knf n LYS 97 Ca -0.16 0.07 -0.29 0.00 -0.00 0.00 0.00 58.31 57.92 3knf n LYS 97 Cb 1.03 -0.47 -0.06 0.00 -0.00 0.00 0.00 35.03 35.53 3knf n LYS 97 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.40 177.60 3knf s GLY 98 N -1.21 2.68 0.12 2.58 0.00 -1.26 -5.04 107.32 105.20 3knf s GLY 98 Ca 0.00 -1.16 -0.15 0.00 0.00 0.00 0.00 44.72 43.41 3knf s GLY 98 CO 0.00 -2.07 1.59 3.43 0.00 0.00 0.00 173.10 176.05 3knf h ASN 99 N 1.28 0.63 -0.46 1.64 2.35 -1.95 -3.41 115.58 115.66 3knf h ASN 99 Ca -0.42 -0.27 -0.13 0.00 -0.55 0.00 0.00 56.30 54.93 3knf h ASN 99 Cb 1.29 -0.17 -0.02 0.00 0.05 0.00 0.00 38.32 39.47 3knf h ASN 99 CO 0.70 0.75 0.33 -0.54 -1.65 0.00 0.00 177.43 177.02 3knf s LYS 100 N -5.14 1.93 0.59 0.81 3.01 -1.26 -4.90 119.74 114.78 3knf s LYS 100 Ca -0.13 0.03 -0.19 0.00 -1.01 0.00 0.00 55.97 54.67 3knf s LYS 100 Cb 0.10 -4.93 -0.04 0.00 -1.01 0.00 0.00 37.83 31.95 3knf s LYS 100 CO 0.78 -4.17 1.22 -1.25 0.51 0.00 0.00 175.35 172.44 3knf s PRO 101 N 8.06 3.00 0.12 -1.68 0.04 -1.26 -5.07 135.00 138.21 3knf s PRO 101 Ca 0.82 1.86 0.05 0.00 0.04 0.00 0.00 61.00 63.77 3knf s PRO 101 Cb -0.09 -1.96 -0.04 0.00 0.04 0.00 0.00 34.50 32.44 3knf s PRO 101 CO 0.06 -1.20 -0.12 0.16 0.04 0.00 0.00 177.00 175.95 3knf s ASP 102 N -1.53 1.77 -0.43 6.66 1.47 -1.20 -4.95 116.67 118.44 3knf s ASP 102 Ca 0.77 -0.87 0.10 0.00 1.18 0.00 0.00 52.55 53.73 3knf s ASP 102 Cb -0.31 -0.03 0.38 0.00 -0.34 0.00 0.00 42.92 42.62 3knf s ASP 102 CO 0.34 -0.23 0.90 0.49 0.68 0.00 0.00 175.17 177.35 3knf n PHE 103 N 0.34 2.08 0.07 2.11 3.72 -1.26 0.32 117.46 124.83 3knf n PHE 103 Ca -0.14 -3.56 -0.11 0.00 -0.05 0.00 0.00 57.45 53.60 3knf n PHE 103 Cb 0.58 -0.38 -0.13 0.00 -0.94 0.00 0.00 39.48 38.62 3knf n PHE 103 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 176.76 177.16 3knf h HIS 104 N 2.92 0.18 0.00 1.38 3.86 -1.99 -3.18 115.15 118.33 3knf h HIS 104 Ca 0.10 -0.13 0.00 0.00 -1.16 0.00 0.00 60.37 59.18 3knf h HIS 104 Cb 0.86 -0.01 0.00 0.00 1.06 0.00 0.00 27.41 29.32 3knf h HIS 104 CO 0.64 1.11 0.00 -0.11 0.86 0.00 0.00 177.93 180.43 3knf n LEU 105 N -3.40 0.00 0.00 2.43 7.94 -1.26 -4.71 117.00 118.00 3knf n LEU 105 Ca -0.05 0.33 0.00 0.00 -1.11 0.00 0.00 56.01 55.18 3knf n LEU 105 Cb 0.98 -0.33 0.00 0.00 0.53 0.00 0.00 43.42 44.60 3knf n LEU 105 CO 0.49 -0.11 0.00 0.00 -1.11 0.00 0.00 177.39 176.66 3knf n ALA 106 N -1.33 0.00 -2.37 1.96 0.00 -1.20 -2.05 120.51 115.51 3knf n ALA 106 Ca 0.09 0.00 -0.31 0.00 0.00 0.00 0.00 53.44 53.21 3knf n ALA 106 Cb 0.18 0.00 -0.15 0.00 0.00 0.00 0.00 19.45 19.48 3knf n ALA 106 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.50 177.71 3knf s LYS 107 N -2.87 2.15 0.02 0.00 2.20 -0.73 -2.39 119.74 118.13 3knf s LYS 107 Ca 0.00 -0.91 -0.30 0.00 -0.36 0.00 0.00 55.97 54.40 3knf s LYS 107 Cb 0.00 -2.13 -0.07 0.00 -1.51 0.00 0.00 37.83 34.12 3knf s LYS 107 CO 0.00 0.57 1.68 -2.00 -0.36 0.00 0.00 175.35 175.23 3knf s GLU 108 N -0.83 4.19 0.09 4.03 -6.30 -1.26 -4.82 118.70 113.79 3knf s GLU 108 Ca 0.11 2.30 0.02 0.00 -2.50 0.00 0.00 54.97 54.91 3knf s GLU 108 Cb -0.10 -3.78 0.27 0.00 0.00 0.00 0.00 34.13 30.51 3knf s GLU 108 CO 0.01 -0.79 0.43 -2.30 0.02 0.00 0.00 175.26 172.63 3knf n PRO 109 N 6.29 -0.02 -0.03 4.30 -0.02 -1.26 -1.95 135.00 142.32 3knf n PRO 109 Ca 0.17 0.40 -0.15 0.00 -2.02 0.00 0.00 63.50 61.90 3knf n PRO 109 Cb 0.41 -0.67 -0.10 0.00 -0.02 0.00 0.00 33.50 33.13 3knf n PRO 109 CO 0.00 0.00 0.00 -0.91 1.98 0.00 0.00 175.50 176.57 3knf h ASN 110 N 0.00 0.40 1.02 2.55 2.35 -2.00 -2.98 115.58 116.92 3knf h ASN 110 Ca 0.19 -0.66 0.00 0.00 -0.55 0.00 0.00 56.30 55.28 3knf h ASN 110 Cb 0.45 -0.12 0.00 0.00 0.05 0.00 0.00 38.32 38.70 3knf h ASN 110 CO -0.24 1.00 0.00 -0.62 -1.65 0.00 0.00 177.43 175.92 3knf n GLU 111 N -4.42 0.15 0.07 0.81 1.02 -0.82 -2.83 120.64 114.62 3knf n GLU 111 Ca -0.09 0.23 0.08 0.00 -0.02 0.00 0.00 57.16 57.36 3knf n GLU 111 Cb 0.51 -1.71 -0.05 0.00 -0.02 0.00 0.00 31.44 30.18 3knf n GLU 111 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3knf n ALA 112 N -1.68 2.36 1.97 0.62 0.00 -1.22 -2.79 120.51 119.77 3knf n ALA 112 Ca 0.05 -0.37 0.05 0.00 0.00 0.00 0.00 53.44 53.16 3knf n ALA 112 Cb 0.32 -1.01 0.28 0.00 0.00 0.00 0.00 19.45 19.04 3knf n ALA 112 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 3knf n LEU 113 N -2.70 0.06 -0.08 0.00 7.94 -1.13 -1.43 117.00 119.66 3knf n LEU 113 Ca -0.04 -0.03 -0.16 0.00 -1.11 0.00 0.00 56.01 54.67 3knf n LEU 113 Cb 0.65 -0.01 -0.05 0.00 0.53 0.00 0.00 43.42 44.54 3knf n LEU 113 CO 0.42 0.01 -0.97 -0.38 -1.11 0.00 0.00 177.39 175.36 3knf n ILE 114 N -0.61 1.11 0.28 1.96 2.08 -1.20 -4.39 119.36 118.59 3knf n ILE 114 Ca 0.07 -0.14 -0.16 0.00 0.56 0.00 0.00 62.75 63.08 3knf n ILE 114 Cb 0.04 -1.83 -0.08 0.00 -0.75 0.00 0.00 39.64 37.02 3knf n ILE 114 CO 0.00 0.00 0.00 0.15 0.56 0.00 0.00 176.55 177.26 3knf h PHE 115 N -0.66 -0.70 -0.87 1.39 3.04 -1.53 -2.85 116.94 114.77 3knf h PHE 115 Ca -0.35 -0.01 0.21 0.00 3.98 0.00 0.00 57.97 61.80 3knf h PHE 115 Cb 1.23 0.24 -0.13 0.00 2.56 0.00 0.00 35.95 39.85 3knf h PHE 115 CO -0.11 -0.42 0.32 -0.92 -2.02 0.00 0.00 178.31 175.15 3knf h TYR 116 N -0.70 0.51 -0.02 0.41 5.03 -1.50 0.49 116.97 121.18 3knf h TYR 116 Ca -0.06 0.04 -0.15 0.00 2.58 0.00 0.00 58.73 61.15 3knf h TYR 116 Cb 0.56 -0.09 -0.02 0.00 1.55 0.00 0.00 36.73 38.73 3knf h TYR 116 CO -0.07 -0.10 -0.66 -0.91 -1.32 0.00 0.00 178.16 175.10 3knf h ASN 117 N 0.33 0.10 0.05 -2.11 2.35 -1.76 0.03 115.58 114.57 3knf h ASN 117 Ca 0.53 -0.07 -0.00 0.00 -0.55 0.00 0.00 56.30 56.22 3knf h ASN 117 Cb 1.02 -0.03 0.00 0.00 0.05 0.00 0.00 38.32 39.36 3knf h ASN 117 CO -0.56 0.73 -0.02 0.11 -1.65 0.00 0.00 177.43 176.04 3knf h LYS 118 N 0.06 -0.06 0.10 0.81 1.57 0.11 -2.07 116.57 117.08 3knf h LYS 118 Ca -0.01 0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 58.77 3knf h LYS 118 Cb 1.18 0.01 -0.01 0.00 0.08 0.00 0.00 32.23 33.49 3knf h LYS 118 CO 0.09 -0.02 -0.13 0.82 -0.57 0.00 0.00 179.45 179.64 3knf h ILE 119 N -0.08 0.00 -1.74 1.86 5.03 -0.67 -1.42 117.51 120.49 3knf h ILE 119 Ca -0.01 0.00 0.52 0.00 -0.12 0.00 0.00 64.86 65.26 3knf h ILE 119 Cb 0.07 0.00 -0.09 0.00 -3.03 0.00 0.00 36.82 33.77 3knf h ILE 119 CO 0.01 0.00 1.23 -0.38 -0.68 0.00 0.00 178.15 178.33 3knf n ILE 120 N -3.13 -0.06 -0.03 -0.67 2.08 -0.03 0.21 119.36 117.75 3knf n ILE 120 Ca -0.03 1.49 -0.15 0.00 0.56 0.00 0.00 62.75 64.62 3knf n ILE 120 Cb 0.11 -2.47 -0.11 0.00 -0.75 0.00 0.00 39.64 36.42 3knf n ILE 120 CO 0.00 0.00 0.00 0.44 0.56 0.00 0.00 176.55 177.55 3knf h ASP 121 N 0.00 0.25 -0.79 4.38 3.32 -0.56 -1.24 116.42 121.79 3knf h ASP 121 Ca 0.88 -0.74 0.08 0.00 0.02 0.00 0.00 57.03 57.27 3knf h ASP 121 Cb 3.37 -0.08 -0.07 0.00 0.22 0.00 0.00 39.33 42.78 3knf h ASP 121 CO -0.12 0.96 0.45 -0.08 -1.72 0.00 0.00 179.24 178.72 3knf h GLU 122 N -0.43 0.75 -0.71 3.56 4.57 0.35 1.04 114.58 123.71 3knf h GLU 122 Ca -0.03 -0.04 0.07 0.00 -1.18 0.00 0.00 59.36 58.18 3knf h GLU 122 Cb 0.99 -0.17 -0.06 0.00 -0.16 0.00 0.00 28.75 29.35 3knf h GLU 122 CO 0.05 0.49 0.39 0.74 -1.18 0.00 0.00 179.01 179.51 3knf h PHE 123 N 0.77 0.71 -0.01 0.92 0.04 0.17 0.21 116.94 119.76 3knf h PHE 123 Ca 0.37 0.03 -0.17 0.00 2.80 0.00 0.00 57.97 60.99 3knf h PHE 123 Cb 0.31 -0.22 -0.02 0.00 2.20 0.00 0.00 35.95 38.23 3knf h PHE 123 CO -0.07 0.32 -0.79 0.87 -0.60 0.00 0.00 178.31 178.04 3knf h LYS 124 N 0.70 0.10 0.36 1.51 1.57 0.24 -2.77 116.57 118.28 3knf h LYS 124 Ca 0.33 -0.10 -0.02 0.00 -1.87 0.00 0.00 60.65 58.99 3knf h LYS 124 Cb 0.25 0.03 0.00 0.00 0.08 0.00 0.00 32.23 32.59 3knf h LYS 124 CO -0.21 0.84 -0.17 -0.22 -0.57 0.00 0.00 179.45 179.12 3knf h LYS 125 N 0.06 -0.46 -0.40 3.15 3.64 0.29 -3.22 116.57 119.63 3knf h LYS 125 Ca -0.02 0.03 -0.01 0.00 -1.27 0.00 0.00 60.65 59.38 3knf h LYS 125 Cb 1.39 0.11 -0.02 0.00 -0.41 0.00 0.00 32.23 33.30 3knf h LYS 125 CO 0.11 -0.15 0.23 1.96 -2.27 0.00 0.00 179.45 179.33 3knf h GLN 126 N -0.80 0.56 0.00 1.90 4.20 -0.80 -3.44 115.11 116.73 3knf h GLN 126 Ca -0.05 -0.06 0.00 0.00 0.06 0.00 0.00 58.65 58.60 3knf h GLN 126 Cb 0.52 -0.11 0.00 0.00 0.30 0.00 0.00 27.48 28.19 3knf h GLN 126 CO 0.08 0.44 0.00 0.98 -0.67 0.00 0.00 178.83 179.66 3knf n TYR 127 N -4.74 0.00 -3.37 2.96 9.36 -1.05 -5.07 117.16 115.25 3knf n TYR 127 Ca 0.00 0.00 -0.38 0.00 3.32 0.00 0.00 57.90 60.84 3knf n TYR 127 Cb 0.07 0.00 -0.06 0.00 -0.63 0.00 0.00 39.34 38.72 3knf n TYR 127 CO 0.00 0.00 0.00 1.21 0.22 0.00 0.00 176.86 178.29 3knf s ASN 128 N -1.00 6.88 0.00 2.98 2.47 -1.25 -4.80 114.94 120.22 3knf s ASN 128 Ca 0.00 1.04 0.17 0.00 0.42 0.00 0.00 52.86 54.50 3knf s ASN 128 Cb 0.00 -2.30 0.95 0.00 -1.45 0.00 0.00 41.25 38.45 3knf s ASN 128 CO 0.00 0.23 1.49 -0.67 -3.72 0.00 0.00 177.10 174.44 3knf n ASP 129 N 2.20 0.00 -0.38 -4.21 2.03 -1.22 -2.18 116.55 112.78 3knf n ASP 129 Ca -0.11 -0.21 0.13 0.00 0.52 0.00 0.00 54.79 55.12 3knf n ASP 129 Cb 0.52 -0.17 0.29 0.00 -0.72 0.00 0.00 41.12 41.04 3knf n ASP 129 CO 0.00 0.00 0.00 -0.67 -1.92 0.00 0.00 177.20 174.61 3knf n ASP 130 N -1.17 1.45 -0.04 1.67 2.03 -1.26 -4.32 116.55 114.91 3knf n ASP 130 Ca 0.10 -1.19 0.03 0.00 0.52 0.00 0.00 54.79 54.25 3knf n ASP 130 Cb 0.11 0.19 -0.16 0.00 -0.72 0.00 0.00 41.12 40.54 3knf n ASP 130 CO 0.00 0.00 0.00 0.29 -1.92 0.00 0.00 177.20 175.57 3knf n LYS 131 N -0.27 0.67 -2.73 -0.67 4.76 -0.93 -4.95 118.16 114.04 3knf n LYS 131 Ca 0.13 -0.11 -0.41 0.00 -2.87 0.00 0.00 58.31 55.05 3knf n LYS 131 Cb 0.39 -1.54 -0.04 0.00 -1.84 0.00 0.00 35.03 32.00 3knf n LYS 131 CO 0.00 0.00 0.00 0.42 -1.37 0.00 0.00 177.40 176.45 3knf s ILE 132 N -3.12 4.52 0.07 -0.18 -1.09 -1.26 -1.55 121.20 118.60 3knf s ILE 132 Ca -0.08 2.06 0.06 0.00 -2.23 0.00 0.00 60.65 60.46 3knf s ILE 132 Cb 0.11 -4.32 -0.03 0.00 -1.58 0.00 0.00 42.46 36.64 3knf s ILE 132 CO 0.87 0.31 -0.16 -0.54 -1.23 0.00 0.00 174.94 174.19 3knf s LYS 133 N 0.05 0.95 0.27 2.79 -0.14 -0.54 -4.95 119.74 118.17 3knf s LYS 133 Ca 0.47 -0.97 0.01 0.00 -1.36 0.00 0.00 55.97 54.13 3knf s LYS 133 Cb -0.23 -1.03 -0.01 0.00 -1.68 0.00 0.00 37.83 34.88 3knf s LYS 133 CO 0.30 0.24 0.05 0.44 -0.76 0.00 0.00 175.35 175.62 3knf n ILE 134 N 1.38 0.00 -4.21 2.17 -5.35 -1.26 -0.56 119.36 111.53 3knf n ILE 134 Ca -0.20 -1.46 -0.10 0.00 -0.27 0.00 0.00 62.75 60.72 3knf n ILE 134 Cb 0.54 0.43 -0.02 0.00 -1.74 0.00 0.00 39.64 38.85 3knf n ILE 134 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3knf n GLY 135 N 0.78 3.94 3.55 3.28 0.00 -1.24 -4.62 105.19 110.88 3knf n GLY 135 Ca -0.07 -2.26 -0.41 0.00 0.00 0.00 0.00 46.02 43.28 3knf n GLY 135 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3knf s LYS 136 N -2.59 3.29 -0.39 1.61 -0.14 -1.26 -4.94 119.74 115.32 3knf s LYS 136 Ca 0.01 -0.47 -0.44 0.00 -1.36 0.00 0.00 55.97 53.71 3knf s LYS 136 Cb -0.00 -4.47 -0.18 0.00 -1.68 0.00 0.00 37.83 31.49 3knf s LYS 136 CO 0.00 -2.16 1.66 0.34 -0.76 0.00 0.00 175.35 174.43 3knf n PHE 137 N 9.22 1.88 0.00 3.18 7.35 -1.26 -1.60 117.46 136.23 3knf n PHE 137 Ca 0.10 0.87 0.00 0.00 -0.76 0.00 0.00 57.45 57.67 3knf n PHE 137 Cb 0.49 -2.33 0.00 0.00 0.35 0.00 0.00 39.48 37.99 3knf n PHE 137 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 3knf n GLY 138 N 4.05 2.21 3.54 7.13 0.00 -1.26 -5.01 105.19 115.86 3knf n GLY 138 Ca 0.29 -0.38 -0.42 0.00 0.00 0.00 0.00 46.02 45.51 3knf n GLY 138 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3knf n ASN 139 N 2.78 0.38 -4.72 1.61 5.03 -0.63 -4.86 115.26 114.85 3knf n ASN 139 Ca 0.00 0.99 -0.43 0.00 0.87 0.00 0.00 54.58 56.01 3knf n ASN 139 Cb 0.00 -1.25 -0.01 0.00 -1.02 0.00 0.00 39.78 37.50 3knf n ASN 139 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 3knf n TYR 140 N -0.63 2.50 -4.30 3.10 9.36 -1.26 -4.81 117.16 121.11 3knf n TYR 140 Ca 0.11 0.45 -0.23 0.00 3.32 0.00 0.00 57.90 61.54 3knf n TYR 140 Cb 0.39 -2.48 -0.12 0.00 -0.63 0.00 0.00 39.34 36.50 3knf n TYR 140 CO 0.00 0.00 0.00 -1.64 0.22 0.00 0.00 176.86 175.44 3knf s MET 141 N -1.34 1.18 -0.33 2.98 -1.94 -1.26 -4.50 119.30 114.09 3knf s MET 141 Ca 0.59 -1.25 0.01 0.00 -1.71 0.00 0.00 55.69 53.34 3knf s MET 141 Cb -0.56 -1.37 0.10 0.00 2.01 0.00 0.00 34.83 35.02 3knf s MET 141 CO 0.57 0.30 0.09 1.21 -0.01 0.00 0.00 175.02 177.19 3knf s ASN 142 N -2.18 4.28 -0.26 3.03 2.47 -0.34 -4.95 114.94 116.99 3knf s ASN 142 Ca 0.10 -1.93 -0.07 0.00 0.42 0.00 0.00 52.86 51.38 3knf s ASN 142 Cb -0.08 -1.17 -0.01 0.00 -1.45 0.00 0.00 41.25 38.53 3knf s ASN 142 CO 0.05 -0.39 0.06 -0.63 -3.72 0.00 0.00 177.10 172.47 3knf s ILE 143 N 1.23 4.06 -0.18 -5.21 1.01 -1.26 -1.79 121.20 119.06 3knf s ILE 143 Ca 0.11 -0.42 -0.29 0.00 0.00 0.00 0.00 60.65 60.05 3knf s ILE 143 Cb -0.19 -2.97 -0.01 0.00 0.01 0.00 0.00 42.46 39.31 3knf s ILE 143 CO -0.17 0.25 1.16 -1.81 0.00 0.00 0.00 174.94 174.37 3knf s ASP 144 N 1.55 7.02 0.21 3.58 1.01 -0.44 -4.89 116.67 124.71 3knf s ASP 144 Ca 0.05 1.57 0.08 0.00 0.71 0.00 0.00 52.55 54.96 3knf s ASP 144 Cb -0.16 -2.54 -0.04 0.00 1.01 0.00 0.00 42.92 41.19 3knf s ASP 144 CO 0.02 -0.70 0.01 -0.69 0.21 0.00 0.00 175.17 174.03 3knf s VAL 145 N 3.23 3.69 -0.49 -1.27 1.01 -1.26 -0.32 120.40 124.99 3knf s VAL 145 Ca 0.50 -1.57 0.04 0.00 0.00 0.00 0.00 61.98 60.95 3knf s VAL 145 Cb -0.19 -2.90 0.16 0.00 0.00 0.00 0.00 36.38 33.45 3knf s VAL 145 CO 0.12 -0.21 0.37 -0.89 0.00 0.00 0.00 175.10 174.49 3knf s THR 146 N -1.93 1.13 0.19 3.92 2.01 -0.83 -4.99 115.64 115.13 3knf s THR 146 Ca 0.29 -3.04 -0.33 0.00 0.31 0.00 0.00 61.69 58.93 3knf s THR 146 Cb -0.08 -1.77 -0.13 0.00 0.01 0.00 0.00 72.50 70.53 3knf s THR 146 CO 0.19 -1.13 1.69 0.59 -0.69 0.00 0.00 174.62 175.27 3knf n ASN 147 N 2.74 3.71 -4.05 3.53 3.02 -1.26 -0.47 115.26 122.49 3knf n ASN 147 Ca 0.24 1.06 -0.34 0.00 -0.03 0.00 0.00 54.58 55.51 3knf n ASN 147 Cb 0.42 -1.53 -0.12 0.00 -0.61 0.00 0.00 39.78 37.95 3knf n ASN 147 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 3knf s ASP 148 N 1.21 4.91 0.00 6.41 2.15 0.61 -4.69 116.67 127.27 3knf s ASP 148 Ca 0.77 -2.79 0.00 0.00 0.43 0.00 0.00 52.55 50.96 3knf s ASP 148 Cb -0.56 -1.77 0.00 0.00 -0.30 0.00 0.00 42.92 40.29 3knf s ASP 148 CO 0.34 -0.34 0.00 0.61 -0.17 0.00 0.00 175.17 175.61 3knf n GLY 149 N 3.51 -0.24 3.76 2.66 0.00 -1.26 -4.00 105.19 109.61 3knf n GLY 149 Ca 0.06 0.14 -0.40 0.00 0.00 0.00 0.00 46.02 45.82 3knf n GLY 149 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3knf s PRO 150 N 0.00 4.74 -0.10 1.61 0.04 -1.26 -5.17 135.00 134.86 3knf s PRO 150 Ca 0.00 1.35 0.01 0.00 0.04 0.00 0.00 61.00 62.40 3knf s PRO 150 Cb 0.00 -3.27 -0.02 0.00 0.04 0.00 0.00 34.50 31.24 3knf s PRO 150 CO 0.00 0.54 -0.12 0.08 0.04 0.00 0.00 177.00 177.54 3knf s VAL 151 N -1.15 3.19 -0.35 -0.36 1.01 -1.26 -5.03 120.40 116.45 3knf s VAL 151 Ca 0.39 -0.64 0.01 0.00 0.00 0.00 0.00 61.98 61.74 3knf s VAL 151 Cb -0.25 -2.31 0.15 0.00 0.00 0.00 0.00 36.38 33.97 3knf s VAL 151 CO 0.30 0.55 0.31 -0.89 0.00 0.00 0.00 175.10 175.37 3knf s THR 152 N -0.17 -0.18 0.67 3.92 2.01 -1.26 -2.23 115.64 118.41 3knf s THR 152 Ca 0.00 -1.17 -0.09 0.00 0.31 0.00 0.00 61.69 60.74 3knf s THR 152 Cb -0.13 -0.85 0.01 0.00 0.01 0.00 0.00 72.50 71.54 3knf s THR 152 CO 0.03 -0.71 1.03 -0.63 -0.69 0.00 0.00 174.62 173.65 3knf s ILE 153 N 1.42 3.51 -0.24 1.82 1.09 -0.88 -4.94 121.20 122.99 3knf s ILE 153 Ca 0.16 0.30 -0.08 0.00 -1.10 0.00 0.00 60.65 59.92 3knf s ILE 153 Cb -0.18 -3.46 0.10 0.00 -1.06 0.00 0.00 42.46 37.87 3knf s ILE 153 CO -0.06 -0.56 0.51 -0.47 -0.10 0.00 0.00 174.94 174.27 3knf s TYR 154 N -3.23 -1.01 -0.01 3.97 6.14 -1.26 -2.29 117.35 119.66 3knf s TYR 154 Ca 0.57 1.84 0.06 0.00 0.64 0.00 0.00 57.07 60.18 3knf s TYR 154 Cb -0.11 0.50 -0.02 0.00 0.42 0.00 0.00 41.96 42.75 3knf s TYR 154 CO 0.49 -0.55 -0.21 0.42 0.64 0.00 0.00 175.55 176.34 3knf s ILE 155 N 2.67 2.53 -0.47 3.14 1.01 -1.01 -5.00 121.20 124.06 3knf s ILE 155 Ca -0.04 -1.02 0.03 0.00 0.00 0.00 0.00 60.65 59.63 3knf s ILE 155 Cb -0.12 -1.96 0.12 0.00 0.01 0.00 0.00 42.46 40.52 3knf s ILE 155 CO -0.15 0.52 0.21 -0.62 0.00 0.00 0.00 174.94 174.90 3knf s ASP 156 N -0.85 4.52 0.51 3.58 -1.08 -1.26 -1.43 116.67 120.67 3knf s ASP 156 Ca 0.11 -2.73 0.42 0.00 -0.52 0.00 0.00 52.55 49.83 3knf s ASP 156 Cb -0.10 -1.65 1.43 0.00 -1.46 0.00 0.00 42.92 41.13 3knf s ASP 156 CO 0.01 -0.29 1.36 0.35 0.52 0.00 0.00 175.17 177.12 3knf n THR 157 N 3.50 0.00 0.18 1.71 -2.24 -0.39 -1.28 114.28 115.76 3knf n THR 157 Ca 0.05 1.30 0.00 0.00 -2.27 0.00 0.00 64.05 63.13 3knf n THR 157 Cb 0.35 -2.20 0.00 0.00 -2.10 0.00 0.00 70.33 66.39 3knf n THR 157 CO 0.00 0.00 0.00 1.41 -0.57 0.00 0.00 175.07 175.91 3knf n HIS 158 N -3.60 0.00 -1.01 4.78 8.25 -1.26 -2.91 115.22 119.47 3knf n HIS 158 Ca 0.37 -0.35 0.01 0.00 -0.26 0.00 0.00 57.72 57.49 3knf n HIS 158 Cb 1.74 -0.26 0.02 0.00 1.12 0.00 0.00 29.99 32.61 3knf n HIS 158 CO 0.00 0.00 0.00 -0.25 0.64 0.00 0.00 176.34 176.73 3knf n ASP 159 N 1.18 0.77 -0.42 0.41 8.00 -0.40 -5.15 116.55 120.93 3knf n ASP 159 Ca 0.00 -1.74 0.05 0.00 0.71 0.00 0.00 54.79 53.82 3knf n ASP 159 Cb 0.25 -0.10 0.04 0.00 -0.02 0.00 0.00 41.12 41.29 3knf n ASP 159 CO 0.00 0.00 0.00 -0.38 -0.39 0.00 0.00 177.20 176.43