#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1rnf h GLN 1 N 0.00 0.00 0.23 3.17 7.50 -1.98 -2.13 115.11 121.90 1rnf h GLN 1 Ca 0.00 0.00 -0.01 0.00 0.50 0.00 0.00 58.65 59.14 1rnf h GLN 1 Cb 0.00 0.00 0.00 0.00 0.05 0.00 0.00 27.48 27.53 1rnf h GLN 1 CO 0.00 0.26 -0.11 -0.44 -1.50 0.00 0.00 178.83 177.04 1rnf h ASP 2 N 0.00 -0.26 -0.20 1.46 3.32 -1.98 -2.78 116.42 115.98 1rnf h ASP 2 Ca -0.00 0.01 0.06 0.00 0.02 0.00 0.00 57.03 57.11 1rnf h ASP 2 Cb 0.57 0.07 -0.01 0.00 0.22 0.00 0.00 39.33 40.18 1rnf h ASP 2 CO 0.03 0.13 0.17 1.23 -1.72 0.00 0.00 179.24 179.08 1rnf h GLY 3 N -0.94 0.00 2.00 2.75 0.00 -2.02 0.15 103.07 105.01 1rnf h GLY 3 Ca -0.03 0.00 -0.08 0.00 0.00 0.00 0.00 47.33 47.22 1rnf h GLY 3 CO 0.05 0.00 -0.39 -0.33 0.00 0.00 0.00 176.54 175.87 1rnf h MET 4 N 0.00 0.00 0.12 4.80 2.86 -1.46 -2.77 114.93 118.48 1rnf h MET 4 Ca 0.10 0.00 -0.01 0.00 -2.06 0.00 0.00 59.70 57.73 1rnf h MET 4 Cb 0.43 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.09 1rnf h MET 4 CO -0.00 0.39 -0.06 -0.92 1.06 0.00 0.00 176.91 177.38 1rnf h TYR 5 N 0.00 -0.15 -0.68 -0.22 3.20 -0.41 0.45 116.97 119.15 1rnf h TYR 5 Ca -0.00 -0.00 0.05 0.00 3.14 0.00 0.00 58.73 61.92 1rnf h TYR 5 Cb 0.98 0.05 -0.04 0.00 1.54 0.00 0.00 36.73 39.26 1rnf h TYR 5 CO 0.00 0.19 0.45 1.96 -1.64 0.00 0.00 178.16 179.12 1rnf h GLN 6 N -0.51 0.71 -0.42 1.82 7.50 -1.53 0.35 115.11 123.03 1rnf h GLN 6 Ca -0.02 -0.04 -0.10 0.00 0.50 0.00 0.00 58.65 58.99 1rnf h GLN 6 Cb 0.41 -0.16 -0.01 0.00 0.05 0.00 0.00 27.48 27.77 1rnf h GLN 6 CO 0.03 0.47 -0.12 -0.09 -1.50 0.00 0.00 178.83 177.62 1rnf h ARG 7 N 0.73 0.82 -0.79 1.46 2.43 -1.18 -1.48 114.38 116.37 1rnf h ARG 7 Ca 0.29 -0.32 -0.03 0.00 -0.81 0.00 0.00 59.98 59.10 1rnf h ARG 7 Cb 0.21 -0.04 -0.04 0.00 -0.42 0.00 0.00 29.97 29.68 1rnf h ARG 7 CO -0.09 0.95 0.36 0.35 -1.51 0.00 0.00 179.97 180.03 1rnf h PHE 8 N 0.64 1.14 -0.04 2.20 3.57 0.17 -2.64 116.94 121.98 1rnf h PHE 8 Ca 0.10 -0.06 -0.01 0.00 3.53 0.00 0.00 57.97 61.54 1rnf h PHE 8 Cb 0.66 -0.35 -0.00 0.00 2.79 0.00 0.00 35.95 39.04 1rnf h PHE 8 CO 0.05 0.84 0.00 -0.07 -2.23 0.00 0.00 178.31 176.90 1rnf h LEU 9 N 1.12 0.06 -1.57 0.59 3.38 -0.76 -2.23 115.31 115.90 1rnf h LEU 9 Ca 0.27 -0.28 0.00 0.00 0.09 0.00 0.00 57.88 57.96 1rnf h LEU 9 Cb 0.14 -0.02 -0.02 0.00 0.09 0.00 0.00 40.66 40.85 1rnf h LEU 9 CO -0.03 0.33 0.28 0.08 0.09 0.00 0.00 178.44 179.19 1rnf h ARG 10 N -0.21 0.56 0.06 1.13 0.11 -1.17 -2.20 114.38 112.68 1rnf h ARG 10 Ca 0.01 -0.04 -0.36 0.00 0.10 0.00 0.00 59.98 59.69 1rnf h ARG 10 Cb 0.30 -0.13 -0.04 0.00 1.11 0.00 0.00 29.97 31.21 1rnf h ARG 10 CO 0.00 0.38 -2.11 1.04 0.10 0.00 0.00 179.97 179.38 1rnf n GLN 11 N -4.47 0.70 -0.07 0.08 6.02 -1.00 -4.67 117.38 113.98 1rnf n GLN 11 Ca 0.03 0.21 0.02 0.00 -0.01 0.00 0.00 57.00 57.26 1rnf n GLN 11 Cb 0.06 -1.66 0.06 0.00 1.02 0.00 0.00 30.24 29.72 1rnf n GLN 11 CO 0.00 0.00 0.00 0.72 -1.01 0.00 0.00 177.06 176.77 1rnf n HIS 12 N -3.29 0.17 -4.55 1.08 8.25 -0.84 -4.70 115.22 111.34 1rnf n HIS 12 Ca -0.33 -0.51 -0.26 0.00 -0.26 0.00 0.00 57.72 56.35 1rnf n HIS 12 Cb 1.04 -0.05 -0.17 0.00 1.12 0.00 0.00 29.99 31.94 1rnf n HIS 12 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 1rnf s VAL 13 N -1.05 1.28 -0.40 1.59 1.01 -0.83 0.14 120.40 122.15 1rnf s VAL 13 Ca 0.09 -0.54 0.05 0.00 0.00 0.00 0.00 61.98 61.58 1rnf s VAL 13 Cb 0.05 -1.17 0.17 0.00 0.00 0.00 0.00 36.38 35.43 1rnf s VAL 13 CO 0.06 0.39 0.49 -2.28 0.00 0.00 0.00 175.10 173.76 1rnf s HIS 14 N 0.80 -0.87 0.83 5.22 2.46 0.11 -4.82 115.29 119.02 1rnf s HIS 14 Ca -0.12 -0.45 -0.12 0.00 0.47 0.00 0.00 55.06 54.84 1rnf s HIS 14 Cb -0.16 -0.11 0.09 0.00 -0.13 0.00 0.00 32.58 32.28 1rnf s HIS 14 CO 0.02 -1.06 1.14 -2.14 -2.47 0.00 0.00 174.74 170.23 1rnf s PRO 15 N 1.51 1.77 -2.01 2.88 0.02 -1.25 -3.85 135.00 134.06 1rnf s PRO 15 Ca 0.18 0.30 0.00 0.00 0.02 0.00 0.00 61.00 61.50 1rnf s PRO 15 Cb -0.10 -1.91 0.00 0.00 0.02 0.00 0.00 34.50 32.51 1rnf s PRO 15 CO -0.05 -1.77 0.00 -0.85 -0.33 0.00 0.00 177.00 174.01 1rnf n GLU 16 N -3.47 -1.53 -4.34 5.54 0.28 -1.26 -4.95 120.64 110.91 1rnf n GLU 16 Ca 0.07 1.13 -0.20 0.00 -0.16 0.00 0.00 57.16 58.01 1rnf n GLU 16 Cb 0.59 -5.62 -0.10 0.00 1.43 0.00 0.00 31.44 27.73 1rnf n GLU 16 CO 0.00 0.00 0.00 -1.21 -0.16 0.00 0.00 177.13 175.76 1rnf s GLU 17 N -4.30 1.32 -0.11 3.44 0.41 -1.25 -5.01 118.70 113.19 1rnf s GLU 17 Ca 0.00 -1.53 0.12 0.00 -0.41 0.00 0.00 54.97 53.15 1rnf s GLU 17 Cb 0.00 -1.21 -0.17 0.00 -1.78 0.00 0.00 34.13 30.97 1rnf s GLU 17 CO 0.00 0.22 0.10 0.25 -0.49 0.00 0.00 175.26 175.34 1rnf n THR 18 N -0.15 0.73 0.00 3.63 -2.24 -1.26 -4.89 114.28 110.09 1rnf n THR 18 Ca -0.10 -0.51 0.00 0.00 -2.27 0.00 0.00 64.05 61.17 1rnf n THR 18 Cb 0.59 -0.49 0.00 0.00 -2.10 0.00 0.00 70.33 68.33 1rnf n THR 18 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1rnf n GLY 19 N 2.09 2.61 2.77 3.38 0.00 -1.26 -4.81 105.19 109.97 1rnf n GLY 19 Ca -0.18 0.07 -0.06 0.00 0.00 0.00 0.00 46.02 45.85 1rnf n GLY 19 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1rnf n GLY 20 N 0.00 0.66 3.27 -0.02 0.00 -1.26 -4.99 105.19 102.85 1rnf n GLY 20 Ca 0.00 -0.04 -0.24 0.00 0.00 0.00 0.00 46.02 45.74 1rnf n GLY 20 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1rnf s SER 21 N -2.28 2.44 0.16 1.61 1.04 -1.26 -4.40 113.70 111.02 1rnf s SER 21 Ca 0.00 -0.65 -0.15 0.00 0.48 0.00 0.00 55.95 55.63 1rnf s SER 21 Cb 0.00 -0.14 0.09 0.00 0.10 0.00 0.00 66.02 66.07 1rnf s SER 21 CO 0.00 0.06 1.76 0.44 0.98 0.00 0.00 173.24 176.48 1rnf h ASP 22 N 4.24 0.19 -0.42 7.02 3.32 -1.86 -0.14 116.42 128.77 1rnf h ASP 22 Ca -0.45 0.04 0.04 0.00 0.02 0.00 0.00 57.03 56.68 1rnf h ASP 22 Cb 1.18 0.01 -0.02 0.00 0.22 0.00 0.00 39.33 40.72 1rnf h ASP 22 CO 0.40 0.15 0.28 -0.09 -1.72 0.00 0.00 179.24 178.26 1rnf h ARG 23 N 0.34 0.39 -0.35 3.56 2.43 -1.97 0.10 114.38 118.88 1rnf h ARG 23 Ca 0.19 -0.02 -0.07 0.00 -0.81 0.00 0.00 59.98 59.26 1rnf h ARG 23 Cb 0.15 -0.09 -0.01 0.00 -0.42 0.00 0.00 29.97 29.60 1rnf h ARG 23 CO -0.17 0.26 -0.04 -0.92 -1.51 0.00 0.00 179.97 177.58 1rnf h TYR 24 N 0.40 0.73 -0.03 2.20 3.20 -1.46 -2.25 116.97 119.76 1rnf h TYR 24 Ca 0.18 -0.14 -0.00 0.00 3.14 0.00 0.00 58.73 61.90 1rnf h TYR 24 Cb 0.20 -0.18 -0.00 0.00 1.54 0.00 0.00 36.73 38.28 1rnf h TYR 24 CO -0.00 0.79 0.02 0.00 -1.64 0.00 0.00 178.16 177.33 1rnf h ASN 26 N -0.00 -0.18 0.34 0.00 2.35 -0.80 -1.20 115.58 116.08 1rnf h ASN 26 Ca 0.01 0.07 -0.02 0.00 -0.55 0.00 0.00 56.30 55.82 1rnf h ASN 26 Cb 0.05 0.14 0.00 0.00 0.05 0.00 0.00 38.32 38.56 1rnf h ASN 26 CO -0.00 -0.06 -0.16 -0.07 -1.65 0.00 0.00 177.43 175.49 1rnf h LEU 27 N 0.05 -0.39 -0.73 1.61 4.07 -1.27 -3.01 115.31 115.64 1rnf h LEU 27 Ca 0.14 -0.05 -0.07 0.00 0.08 0.00 0.00 57.88 57.98 1rnf h LEU 27 Cb 0.20 0.10 -0.03 0.00 1.08 0.00 0.00 40.66 42.01 1rnf h LEU 27 CO -0.26 -0.20 0.13 0.24 -1.08 0.00 0.00 178.44 177.26 1rnf h MET 28 N -0.55 1.10 -0.22 1.13 2.86 -1.11 -0.33 114.93 117.81 1rnf h MET 28 Ca -0.05 -0.28 -0.08 0.00 -2.06 0.00 0.00 59.70 57.23 1rnf h MET 28 Cb 0.41 -0.14 -0.01 0.00 0.06 0.00 0.00 31.60 31.92 1rnf h MET 28 CO 0.08 0.99 -0.22 0.52 1.06 0.00 0.00 176.91 179.34 1rnf h MET 29 N 1.03 0.39 0.34 1.72 2.86 -1.30 -0.37 114.93 119.60 1rnf h MET 29 Ca 0.21 -0.13 -0.02 0.00 -2.06 0.00 0.00 59.70 57.70 1rnf h MET 29 Cb 0.41 -0.03 0.00 0.00 0.06 0.00 0.00 31.60 32.05 1rnf h MET 29 CO 0.01 0.60 -0.16 0.37 1.06 0.00 0.00 176.91 178.78 1rnf h GLN 30 N 0.35 -0.44 -0.83 1.72 4.15 -1.37 0.27 115.11 118.96 1rnf h GLN 30 Ca 0.06 0.03 0.16 0.00 0.77 0.00 0.00 58.65 59.67 1rnf h GLN 30 Cb 0.59 0.10 -0.06 0.00 0.21 0.00 0.00 27.48 28.32 1rnf h GLN 30 CO 0.04 -0.29 0.55 0.00 -1.93 0.00 0.00 178.83 177.20 1rnf h ARG 31 N -0.98 0.47 -0.32 1.69 3.08 -1.09 0.11 114.38 117.34 1rnf h ARG 31 Ca -0.05 -0.03 0.00 0.00 0.07 0.00 0.00 59.98 59.97 1rnf h ARG 31 Cb 0.35 -0.11 0.00 0.00 0.08 0.00 0.00 29.97 30.29 1rnf h ARG 31 CO 0.08 0.31 0.00 0.54 -1.07 0.00 0.00 179.97 179.83 1rnf n ARG 32 N -4.51 1.43 -3.40 0.04 1.74 -0.15 -4.91 116.66 106.89 1rnf n ARG 32 Ca 0.16 -0.53 -0.21 0.00 -0.77 0.00 0.00 57.85 56.51 1rnf n ARG 32 Cb 0.56 -1.23 0.07 0.00 -1.02 0.00 0.00 32.46 30.83 1rnf n ARG 32 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 1rnf n LYS 33 N -0.04 -6.66 -0.34 5.56 4.01 0.37 -4.92 118.16 116.13 1rnf n LYS 33 Ca 0.05 0.72 0.08 0.00 -0.51 0.00 0.00 58.31 58.64 1rnf n LYS 33 Cb 0.19 -5.41 0.20 0.00 -0.51 0.00 0.00 35.03 29.51 1rnf n LYS 33 CO 0.00 0.00 0.00 -1.33 -1.11 0.00 0.00 177.40 174.96 1rnf n MET 34 N -4.32 2.08 -0.43 1.97 2.81 0.93 -4.42 117.12 115.74 1rnf n MET 34 Ca -0.00 -2.80 0.00 0.00 -1.81 0.00 0.00 57.70 53.09 1rnf n MET 34 Cb 0.56 -1.69 0.00 0.00 -0.71 0.00 0.00 33.22 31.37 1rnf n MET 34 CO 0.00 0.00 0.00 0.25 1.51 0.00 0.00 175.97 177.73 1rnf n THR 35 N -0.98 0.00 0.16 2.03 -2.24 -1.23 -1.73 114.28 110.29 1rnf n THR 35 Ca 0.20 0.00 -0.06 0.00 -2.27 0.00 0.00 64.05 61.92 1rnf n THR 35 Cb 0.80 0.48 -0.03 0.00 -2.10 0.00 0.00 70.33 69.47 1rnf n THR 35 CO 0.00 0.00 0.00 0.25 -0.57 0.00 0.00 175.07 174.75 1rnf h LEU 36 N 0.00 -0.35 0.00 3.22 5.85 -1.90 -3.39 115.31 118.73 1rnf h LEU 36 Ca 0.00 0.01 -0.16 0.00 0.84 0.00 0.00 57.88 58.57 1rnf h LEU 36 Cb 1.28 0.09 -0.03 0.00 0.37 0.00 0.00 40.66 42.37 1rnf h LEU 36 CO 0.00 -0.25 -1.92 -1.22 -0.34 0.00 0.00 178.44 174.71 1rnf n TYR 37 N -3.16 0.00 -3.87 1.25 4.01 -1.26 -4.79 117.16 109.34 1rnf n TYR 37 Ca -0.05 0.00 -0.09 0.00 -0.16 0.00 0.00 57.90 57.60 1rnf n TYR 37 Cb 0.17 -0.60 -0.07 0.00 -0.31 0.00 0.00 39.34 38.53 1rnf n TYR 37 CO 0.00 0.00 0.00 -3.38 -0.46 0.00 0.00 176.86 173.02 1rnf s HIS 38 N -2.68 0.19 -0.29 -0.72 -3.43 -1.26 -4.72 115.29 102.38 1rnf s HIS 38 Ca -0.07 -0.61 -0.22 0.00 -0.80 0.00 0.00 55.06 53.35 1rnf s HIS 38 Cb 0.07 -0.07 -0.01 0.00 -1.43 0.00 0.00 32.58 31.15 1rnf s HIS 38 CO 0.64 -0.56 0.73 0.00 -2.00 0.00 0.00 174.74 173.55 1rnf s LYS 40 N 2.78 4.18 0.17 0.00 2.20 -0.71 -4.88 119.74 123.48 1rnf s LYS 40 Ca 0.30 2.45 -0.13 0.00 -0.36 0.00 0.00 55.97 58.23 1rnf s LYS 40 Cb -0.15 -3.27 0.07 0.00 -1.51 0.00 0.00 37.83 32.97 1rnf s LYS 40 CO 0.11 -0.70 1.79 -0.09 -0.36 0.00 0.00 175.35 176.10 1rnf h ARG 41 N 7.33 0.77 -3.07 4.03 9.65 -1.94 -3.41 114.38 127.74 1rnf h ARG 41 Ca -0.43 -0.08 -0.16 0.00 -1.10 0.00 0.00 59.98 58.21 1rnf h ARG 41 Cb 1.20 -0.15 -0.25 0.00 -1.39 0.00 0.00 29.97 29.38 1rnf h ARG 41 CO 0.93 0.59 -0.39 0.12 2.80 0.00 0.00 179.97 184.01 1rnf s PHE 42 N -5.89 -0.30 -0.07 2.20 5.36 -1.26 -0.35 117.98 117.67 1rnf s PHE 42 Ca -0.13 0.72 -0.13 0.00 -0.96 0.00 0.00 56.93 56.44 1rnf s PHE 42 Cb 0.12 0.10 0.03 0.00 -0.34 0.00 0.00 43.02 42.93 1rnf s PHE 42 CO 0.76 -0.15 0.31 1.21 -1.46 0.00 0.00 175.22 175.90 1rnf s ASN 43 N 0.11 -0.26 -0.19 6.13 2.47 -0.75 -5.01 114.94 117.44 1rnf s ASN 43 Ca -0.00 0.37 -0.02 0.00 0.42 0.00 0.00 52.86 53.63 1rnf s ASN 43 Cb -0.02 0.49 -0.00 0.00 -1.45 0.00 0.00 41.25 40.27 1rnf s ASN 43 CO 0.00 -0.27 -0.10 -0.89 -3.72 0.00 0.00 177.10 172.12 1rnf s THR 44 N -0.55 2.94 -0.25 -5.21 2.01 -1.26 -0.51 115.64 112.81 1rnf s THR 44 Ca -0.07 -0.65 -0.09 0.00 0.31 0.00 0.00 61.69 61.19 1rnf s THR 44 Cb -0.04 -2.29 -0.04 0.00 0.01 0.00 0.00 72.50 70.14 1rnf s THR 44 CO 0.02 0.48 0.13 -0.36 -0.69 0.00 0.00 174.62 174.19 1rnf s PHE 45 N 1.20 3.18 -0.25 4.92 0.08 -0.75 -4.30 117.98 122.06 1rnf s PHE 45 Ca 0.02 -0.07 -0.20 0.00 0.12 0.00 0.00 56.93 56.80 1rnf s PHE 45 Cb -0.14 -2.28 -0.02 0.00 -0.57 0.00 0.00 43.02 40.00 1rnf s PHE 45 CO -0.04 -0.17 0.60 0.42 -0.10 0.00 0.00 175.22 175.93 1rnf s ILE 46 N 1.47 5.01 -1.13 0.64 1.01 0.38 -2.00 121.20 126.58 1rnf s ILE 46 Ca 0.06 1.07 -0.03 0.00 0.00 0.00 0.00 60.65 61.75 1rnf s ILE 46 Cb -0.15 -3.91 0.26 0.00 0.01 0.00 0.00 42.46 38.67 1rnf s ILE 46 CO 0.06 0.06 1.90 1.41 0.00 0.00 0.00 174.94 178.37 1rnf n HIS 47 N 5.55 2.63 -4.21 3.97 8.25 -0.52 0.06 115.22 130.95 1rnf n HIS 47 Ca -0.02 -2.64 -0.13 0.00 -0.26 0.00 0.00 57.72 54.68 1rnf n HIS 47 Cb 0.49 -1.42 -0.10 0.00 1.12 0.00 0.00 29.99 30.08 1rnf n HIS 47 CO 0.00 0.00 0.00 -1.21 0.64 0.00 0.00 176.34 175.77 1rnf s GLU 48 N -2.88 1.24 0.29 -0.41 0.41 -1.26 -4.66 118.70 111.42 1rnf s GLU 48 Ca 0.41 -1.66 -0.29 0.00 -0.41 0.00 0.00 54.97 53.02 1rnf s GLU 48 Cb 0.15 0.24 -0.09 0.00 -1.78 0.00 0.00 34.13 32.65 1rnf s GLU 48 CO -0.06 -0.40 1.09 -0.51 -0.49 0.00 0.00 175.26 174.89 1rnf s ASP 49 N -3.18 7.23 0.21 -0.19 1.01 -1.26 -3.93 116.67 116.56 1rnf s ASP 49 Ca 0.39 2.25 -0.13 0.00 0.71 0.00 0.00 52.55 55.76 1rnf s ASP 49 Cb 0.07 -2.62 0.23 0.00 1.01 0.00 0.00 42.92 41.61 1rnf s ASP 49 CO 0.13 -0.17 1.64 0.40 0.21 0.00 0.00 175.17 177.38 1rnf h ILE 50 N 3.02 0.42 -0.51 0.77 5.03 -1.98 0.34 117.51 124.60 1rnf h ILE 50 Ca -0.47 -0.01 0.09 0.00 -0.12 0.00 0.00 64.86 64.36 1rnf h ILE 50 Cb 1.21 0.40 -0.07 0.00 -3.03 0.00 0.00 36.82 35.33 1rnf h ILE 50 CO 0.67 0.00 0.09 -0.25 -0.68 0.00 0.00 178.15 177.98 1rnf h TRP 51 N 0.02 0.14 -0.33 1.37 2.91 -2.00 -0.12 115.95 117.95 1rnf h TRP 51 Ca 0.29 0.03 -0.07 0.00 1.13 0.00 0.00 58.89 60.27 1rnf h TRP 51 Cb 0.46 0.02 -0.02 0.00 -0.51 0.00 0.00 29.16 29.10 1rnf h TRP 51 CO -0.47 -0.03 -0.09 -0.91 -1.03 0.00 0.00 178.44 175.92 1rnf h ASN 52 N 0.22 0.53 0.29 2.65 2.35 -1.13 -2.48 115.58 118.01 1rnf h ASN 52 Ca 0.26 -0.13 -0.14 0.00 -0.55 0.00 0.00 56.30 55.74 1rnf h ASN 52 Cb 0.36 -0.14 -0.01 0.00 0.05 0.00 0.00 38.32 38.58 1rnf h ASN 52 CO -0.35 0.67 -0.55 0.40 -1.65 0.00 0.00 177.43 175.95 1rnf h ILE 53 N 0.52 1.36 0.00 2.81 2.04 0.72 -3.10 117.51 121.86 1rnf h ILE 53 Ca 0.10 -1.86 -0.13 0.00 1.00 0.00 0.00 64.86 63.97 1rnf h ILE 53 Cb 0.47 1.90 -0.02 0.00 -0.74 0.00 0.00 36.82 38.44 1rnf h ILE 53 CO 0.03 0.55 -0.60 -0.09 0.00 0.00 0.00 178.15 178.04 1rnf h ARG 54 N 0.22 0.00 0.00 2.37 2.43 -0.79 -3.09 114.38 115.52 1rnf h ARG 54 Ca 0.00 0.00 -0.01 0.00 -0.81 0.00 0.00 59.98 59.16 1rnf h ARG 54 Cb 1.04 0.00 -0.00 0.00 -0.42 0.00 0.00 29.97 30.59 1rnf h ARG 54 CO 0.09 0.60 -0.06 0.66 -1.51 0.00 0.00 179.97 179.74 1rnf h SER 55 N 0.00 0.00 -0.61 -3.80 4.64 -1.37 -1.71 113.55 110.70 1rnf h SER 55 Ca -0.01 0.00 0.05 0.00 -0.47 0.00 0.00 61.79 61.37 1rnf h SER 55 Cb 1.21 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 63.27 1rnf h SER 55 CO 0.08 0.06 0.40 0.40 -0.87 0.00 0.00 176.83 176.91 1rnf h ILE 56 N 0.00 1.02 0.00 0.95 2.04 -1.61 0.14 117.51 120.05 1rnf h ILE 56 Ca -0.00 -0.22 0.00 0.00 1.00 0.00 0.00 64.86 65.64 1rnf h ILE 56 Cb 0.24 0.34 0.00 0.00 -0.74 0.00 0.00 36.82 36.66 1rnf h ILE 56 CO 0.01 0.12 0.00 0.00 0.00 0.00 0.00 178.15 178.27 1rnf n SER 58 N -2.08 1.64 -4.97 0.00 3.41 0.48 -4.91 113.62 107.19 1rnf n SER 58 Ca 0.00 -1.72 -0.20 0.00 -0.26 0.00 0.00 58.87 56.70 1rnf n SER 58 Cb 0.11 -0.11 0.03 0.00 -0.26 0.00 0.00 64.21 63.98 1rnf n SER 58 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 175.04 175.30 1rnf s THR 59 N -1.78 2.71 0.02 6.66 -4.23 -0.54 -5.03 115.64 113.45 1rnf s THR 59 Ca 0.31 -0.79 -0.37 0.00 -1.18 0.00 0.00 61.69 59.66 1rnf s THR 59 Cb 0.17 -2.92 -0.17 0.00 1.34 0.00 0.00 72.50 70.92 1rnf s THR 59 CO 0.25 0.00 1.40 0.41 -0.54 0.00 0.00 174.62 176.14 1rnf n THR 60 N -2.21 0.05 -2.11 3.99 -1.04 -1.26 -4.89 114.28 106.81 1rnf n THR 60 Ca 0.09 -0.01 -0.42 0.00 -2.04 0.00 0.00 64.05 61.67 1rnf n THR 60 Cb 0.60 -0.86 -0.03 0.00 -1.82 0.00 0.00 70.33 68.21 1rnf n THR 60 CO 0.00 0.00 0.00 0.20 -0.64 0.00 0.00 175.07 174.63 1rnf s ASN 61 N 0.98 6.77 0.09 8.00 -0.87 -1.26 -4.53 114.94 124.11 1rnf s ASN 61 Ca 0.87 2.40 0.04 0.00 -1.57 0.00 0.00 52.86 54.60 1rnf s ASN 61 Cb -0.98 -2.59 -0.03 0.00 -0.02 0.00 0.00 41.25 37.62 1rnf s ASN 61 CO 0.50 -0.69 -0.11 0.27 -2.57 0.00 0.00 177.10 174.50 1rnf s ILE 62 N 1.11 0.98 0.22 0.60 -4.36 0.42 -4.96 121.20 115.21 1rnf s ILE 62 Ca 0.66 -1.50 -0.30 0.00 -0.26 0.00 0.00 60.65 59.25 1rnf s ILE 62 Cb -0.38 -1.22 -0.08 0.00 1.25 0.00 0.00 42.46 42.02 1rnf s ILE 62 CO 0.30 -0.44 1.08 0.00 0.24 0.00 0.00 174.94 176.12 1rnf s GLN 63 N -2.37 4.65 0.00 0.37 -2.07 -1.25 -0.76 119.66 118.22 1rnf s GLN 63 Ca 0.02 1.71 -0.00 0.00 -1.82 0.00 0.00 55.36 55.27 1rnf s GLN 63 Cb -0.06 -3.25 0.00 0.00 -1.09 0.00 0.00 33.01 28.61 1rnf s GLN 63 CO 0.01 0.18 0.00 0.00 -1.32 0.00 0.00 175.29 174.16 1rnf n LYS 65 N -1.01 0.09 0.00 0.00 5.02 -1.26 -2.59 118.16 118.41 1rnf n LYS 65 Ca 0.00 0.23 0.09 0.00 -2.02 0.00 0.00 58.31 56.61 1rnf n LYS 65 Cb 0.00 -1.64 -0.03 0.00 -0.02 0.00 0.00 35.03 33.34 1rnf n LYS 65 CO 0.00 0.00 0.00 0.27 -0.52 0.00 0.00 177.40 177.15 1rnf n ASN 66 N -1.81 1.53 0.00 4.39 0.23 -1.26 -4.98 115.26 113.36 1rnf n ASN 66 Ca 0.04 -1.26 0.00 0.00 -0.53 0.00 0.00 54.58 52.83 1rnf n ASN 66 Cb 0.26 0.62 0.00 0.00 -2.08 0.00 0.00 39.78 38.59 1rnf n ASN 66 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1rnf n GLY 67 N 1.31 2.80 3.72 4.83 0.00 -1.07 -5.08 105.19 111.70 1rnf n GLY 67 Ca 0.07 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.77 1rnf n GLY 67 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1rnf s LYS 68 N -0.48 1.62 -0.14 1.61 -0.14 -1.26 -4.60 119.74 116.34 1rnf s LYS 68 Ca 0.00 1.37 0.15 0.00 -1.36 0.00 0.00 55.97 56.14 1rnf s LYS 68 Cb 0.00 -1.81 0.48 0.00 -1.68 0.00 0.00 37.83 34.82 1rnf s LYS 68 CO 0.00 -2.15 1.38 -1.33 -0.76 0.00 0.00 175.35 172.49 1rnf n MET 69 N -3.88 2.90 -0.36 1.68 2.81 -1.26 0.11 117.12 119.12 1rnf n MET 69 Ca 0.11 -2.67 -0.05 0.00 -1.81 0.00 0.00 57.70 53.27 1rnf n MET 69 Cb 0.52 -1.72 0.03 0.00 -0.71 0.00 0.00 33.22 31.34 1rnf n MET 69 CO 0.00 0.00 0.00 0.27 1.51 0.00 0.00 175.97 177.75 1rnf n ASN 70 N -0.31 3.86 -4.68 7.83 6.94 -1.25 -3.65 115.26 124.01 1rnf n ASN 70 Ca 0.19 -2.42 -0.31 0.00 -0.02 0.00 0.00 54.58 52.02 1rnf n ASN 70 Cb 0.79 -0.71 -0.08 0.00 -2.36 0.00 0.00 39.78 37.42 1rnf n ASN 70 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1rnf s HIS 72 N -1.24 0.04 0.07 0.00 3.76 -0.09 0.16 115.29 117.98 1rnf s HIS 72 Ca 0.24 0.03 0.02 0.00 -0.15 0.00 0.00 55.06 55.20 1rnf s HIS 72 Cb -0.12 -0.09 -0.04 0.00 1.11 0.00 0.00 32.58 33.45 1rnf s HIS 72 CO 0.16 -0.03 0.13 -2.00 -0.85 0.00 0.00 174.74 172.15 1rnf s GLU 73 N 0.31 3.09 0.16 1.40 2.12 -1.26 -1.66 118.70 122.86 1rnf s GLU 73 Ca -0.03 -0.59 -0.23 0.00 0.36 0.00 0.00 54.97 54.48 1rnf s GLU 73 Cb -0.04 -2.85 0.07 0.00 0.26 0.00 0.00 34.13 31.57 1rnf s GLU 73 CO -0.01 0.58 0.63 0.20 -0.54 0.00 0.00 175.26 176.13 1rnf s GLY 74 N -2.42 -0.57 -0.28 -1.50 0.00 -0.22 -4.98 107.32 97.35 1rnf s GLY 74 Ca 0.31 0.47 -0.05 0.00 0.00 0.00 0.00 44.72 45.46 1rnf s GLY 74 CO 0.24 0.16 0.03 0.14 0.00 0.00 0.00 173.10 173.67 1rnf s VAL 75 N -3.71 3.64 0.16 1.40 1.01 -1.26 0.40 120.40 122.04 1rnf s VAL 75 Ca 0.02 -0.75 0.01 0.00 0.00 0.00 0.00 61.98 61.26 1rnf s VAL 75 Cb -0.01 -2.85 -0.04 0.00 0.00 0.00 0.00 36.38 33.47 1rnf s VAL 75 CO -0.11 0.14 0.02 0.68 0.00 0.00 0.00 175.10 175.83 1rnf s VAL 76 N 1.45 0.52 -0.03 2.92 -7.23 -0.61 -4.92 120.40 112.50 1rnf s VAL 76 Ca 0.02 -1.96 -0.26 0.00 -1.81 0.00 0.00 61.98 57.97 1rnf s VAL 76 Cb -0.17 -2.11 -0.04 0.00 0.56 0.00 0.00 36.38 34.63 1rnf s VAL 76 CO 0.00 -0.46 0.82 -0.75 -0.31 0.00 0.00 175.10 174.40 1rnf s LYS 77 N -3.95 4.49 0.21 4.82 2.20 -1.26 -1.88 119.74 124.37 1rnf s LYS 77 Ca 0.24 1.11 -0.00 0.00 -0.36 0.00 0.00 55.97 56.96 1rnf s LYS 77 Cb 0.07 -3.45 -0.04 0.00 -1.51 0.00 0.00 37.83 32.89 1rnf s LYS 77 CO 0.03 0.03 0.12 0.14 -0.36 0.00 0.00 175.35 175.31 1rnf s VAL 78 N 0.83 0.18 -0.18 4.02 -7.23 0.75 -1.43 120.40 117.32 1rnf s VAL 78 Ca 0.43 -2.00 0.00 0.00 -1.81 0.00 0.00 61.98 58.61 1rnf s VAL 78 Cb -0.19 -2.52 0.04 0.00 0.56 0.00 0.00 36.38 34.27 1rnf s VAL 78 CO 0.22 -0.02 -0.07 -0.89 -0.31 0.00 0.00 175.10 174.03 1rnf s THR 79 N -4.03 1.35 -0.15 5.32 2.01 -0.85 -1.81 115.64 117.49 1rnf s THR 79 Ca 0.38 -0.82 -0.18 0.00 0.31 0.00 0.00 61.69 61.38 1rnf s THR 79 Cb 0.07 -1.49 -0.04 0.00 0.01 0.00 0.00 72.50 71.05 1rnf s THR 79 CO 0.12 0.13 0.46 -1.81 -0.69 0.00 0.00 174.62 172.83 1rnf s ASP 80 N 1.52 6.60 -0.20 3.53 1.01 -0.32 -1.81 116.67 127.01 1rnf s ASP 80 Ca -0.00 0.72 -0.03 0.00 0.71 0.00 0.00 52.55 53.94 1rnf s ASP 80 Cb -0.16 -2.27 -0.01 0.00 1.01 0.00 0.00 42.92 41.49 1rnf s ASP 80 CO -0.08 -0.04 -0.07 0.00 0.21 0.00 0.00 175.17 175.19 1rnf s ARG 82 N 1.17 2.90 0.04 0.00 0.52 0.06 -1.81 118.95 121.83 1rnf s ARG 82 Ca 0.02 -0.74 -0.30 0.00 -0.52 0.00 0.00 55.73 54.18 1rnf s ARG 82 Cb -0.14 -2.43 -0.06 0.00 0.52 0.00 0.00 34.95 32.83 1rnf s ARG 82 CO -0.02 0.38 1.38 0.34 0.02 0.00 0.00 175.30 177.41 1rnf s ASP 83 N -0.12 6.87 0.09 0.23 2.15 0.52 0.13 116.67 126.55 1rnf s ASP 83 Ca -0.02 2.16 0.24 0.00 0.43 0.00 0.00 52.55 55.36 1rnf s ASP 83 Cb -0.14 -2.57 0.96 0.00 -0.30 0.00 0.00 42.92 40.87 1rnf s ASP 83 CO 0.04 -0.68 1.76 0.35 -0.17 0.00 0.00 175.17 176.47 1rnf n THR 84 N 4.40 0.49 -0.34 1.71 -2.24 -0.28 -4.88 114.28 113.14 1rnf n THR 84 Ca 0.12 0.01 0.00 0.00 -2.27 0.00 0.00 64.05 61.91 1rnf n THR 84 Cb 0.44 -0.72 0.00 0.00 -2.10 0.00 0.00 70.33 67.94 1rnf n THR 84 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1rnf n GLY 85 N 0.92 2.12 0.31 3.38 0.00 -1.26 -4.86 105.19 105.79 1rnf n GLY 85 Ca 0.05 0.00 0.19 0.00 0.00 0.00 0.00 46.02 46.26 1rnf n GLY 85 CO 0.00 0.00 0.00 0.23 0.00 0.00 0.00 173.32 173.55 1rnf h SER 86 N 0.00 0.00 -5.18 1.61 0.87 -1.90 -3.45 113.55 105.51 1rnf h SER 86 Ca 0.00 0.00 -0.06 0.00 -1.23 0.00 0.00 61.79 60.50 1rnf h SER 86 Cb 0.00 0.00 -0.11 0.00 -0.44 0.00 0.00 62.40 61.85 1rnf h SER 86 CO 0.00 0.02 -0.15 -0.44 -0.53 0.00 0.00 176.83 175.73 1rnf s SER 87 N -5.58 -0.10 0.40 6.23 0.01 -1.26 -5.04 113.70 108.35 1rnf s SER 87 Ca -0.03 -0.70 0.07 0.00 1.31 0.00 0.00 55.95 56.60 1rnf s SER 87 Cb 0.13 0.51 -0.07 0.00 0.21 0.00 0.00 66.02 66.80 1rnf s SER 87 CO 0.49 -0.98 0.06 -0.13 0.41 0.00 0.00 173.24 173.09 1rnf s ARG 88 N -3.93 2.05 0.36 12.44 0.52 -1.26 -4.69 118.95 124.44 1rnf s ARG 88 Ca 0.14 -1.98 -0.25 0.00 -0.52 0.00 0.00 55.73 53.11 1rnf s ARG 88 Cb 0.01 -1.78 -0.13 0.00 0.52 0.00 0.00 34.95 33.57 1rnf s ARG 88 CO -0.01 -0.05 0.79 0.00 0.02 0.00 0.00 175.30 176.05 1rnf n ALA 89 N -1.05 -0.87 0.38 2.13 0.00 -1.26 -2.26 120.51 117.58 1rnf n ALA 89 Ca -0.04 0.28 0.12 0.00 0.00 0.00 0.00 53.44 53.81 1rnf n ALA 89 Cb 0.66 -1.90 0.24 0.00 0.00 0.00 0.00 19.45 18.44 1rnf n ALA 89 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 1rnf h PRO 90 N 1.36 0.00 -2.66 0.00 0.13 -1.87 -3.48 132.00 125.48 1rnf h PRO 90 Ca -0.40 0.00 -0.60 0.00 -0.87 0.00 0.00 66.00 64.14 1rnf h PRO 90 Cb 1.37 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 32.46 1rnf h PRO 90 CO 0.56 0.00 2.53 0.09 -0.23 0.00 0.00 178.00 180.96 1rnf n ASN 91 N -2.69 7.84 -4.77 1.44 3.02 -0.96 -4.99 115.26 114.16 1rnf n ASN 91 Ca 0.04 -2.75 -0.40 0.00 -0.03 0.00 0.00 54.58 51.45 1rnf n ASN 91 Cb 0.49 -1.46 -0.03 0.00 -0.61 0.00 0.00 39.78 38.17 1rnf n ASN 91 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1rnf s ARG 93 N -1.84 1.89 0.35 0.00 0.52 -1.26 -4.93 118.95 113.68 1rnf s ARG 93 Ca 0.50 -0.94 0.06 0.00 -0.52 0.00 0.00 55.73 54.84 1rnf s ARG 93 Cb -0.33 -2.51 -0.01 0.00 0.52 0.00 0.00 34.95 32.62 1rnf s ARG 93 CO 0.43 -0.50 0.49 0.71 0.02 0.00 0.00 175.30 176.45 1rnf s TYR 94 N 1.37 3.10 -0.13 -0.53 1.51 -1.26 -1.12 117.35 120.29 1rnf s TYR 94 Ca -0.04 -0.20 0.01 0.00 -1.01 0.00 0.00 57.07 55.83 1rnf s TYR 94 Cb -0.17 -2.04 -0.01 0.00 -0.11 0.00 0.00 41.96 39.63 1rnf s TYR 94 CO -0.07 -0.06 -0.17 0.50 -1.11 0.00 0.00 175.55 174.64 1rnf s ARG 95 N -4.21 3.24 -0.14 -0.62 3.52 0.12 -4.78 118.95 116.08 1rnf s ARG 95 Ca 0.46 -0.76 -0.09 0.00 -0.13 0.00 0.00 55.73 55.21 1rnf s ARG 95 Cb -0.10 -2.54 -0.04 0.00 -1.56 0.00 0.00 34.95 30.70 1rnf s ARG 95 CO 0.32 0.14 0.17 0.00 -0.81 0.00 0.00 175.30 175.12 1rnf s ALA 96 N 0.50 3.78 -0.34 6.12 0.00 -1.26 -0.76 121.76 129.80 1rnf s ALA 96 Ca -0.11 -0.61 0.02 0.00 0.00 0.00 0.00 51.96 51.26 1rnf s ALA 96 Cb -0.16 -2.10 0.10 0.00 0.00 0.00 0.00 23.12 20.96 1rnf s ALA 96 CO 0.05 0.42 0.08 0.42 0.00 0.00 0.00 175.76 176.73 1rnf s ILE 97 N -0.48 1.73 0.05 0.00 -1.09 0.80 -4.75 121.20 117.47 1rnf s ILE 97 Ca 0.14 -2.05 -0.28 0.00 -2.23 0.00 0.00 60.65 56.23 1rnf s ILE 97 Cb -0.12 -2.28 -0.05 0.00 -1.58 0.00 0.00 42.46 38.43 1rnf s ILE 97 CO 0.03 -0.65 0.90 0.00 -1.23 0.00 0.00 174.94 173.98 1rnf s ALA 98 N 1.09 3.26 -0.04 9.38 0.00 -1.26 -1.17 121.76 133.02 1rnf s ALA 98 Ca 0.11 0.46 -0.31 0.00 0.00 0.00 0.00 51.96 52.22 1rnf s ALA 98 Cb -0.19 -3.20 0.12 0.00 0.00 0.00 0.00 23.12 19.85 1rnf s ALA 98 CO -0.14 -0.07 1.21 -1.54 0.00 0.00 0.00 175.76 175.22 1rnf s SER 99 N 0.34 -0.11 -0.32 0.00 1.04 -0.75 -5.01 113.70 108.90 1rnf s SER 99 Ca 0.45 -0.13 -0.04 0.00 0.48 0.00 0.00 55.95 56.72 1rnf s SER 99 Cb -0.21 0.21 0.04 0.00 0.10 0.00 0.00 66.02 66.15 1rnf s SER 99 CO 0.27 -0.37 0.05 -0.89 0.98 0.00 0.00 173.24 173.28 1rnf s THR 100 N -2.56 3.42 0.21 2.02 2.01 -1.26 -0.18 115.64 119.31 1rnf s THR 100 Ca 0.12 -1.21 -0.00 0.00 0.31 0.00 0.00 61.69 60.91 1rnf s THR 100 Cb 0.02 -2.93 -0.04 0.00 0.01 0.00 0.00 72.50 69.56 1rnf s THR 100 CO -0.04 -0.12 0.12 0.00 -0.69 0.00 0.00 174.62 173.89 1rnf s ARG 101 N 1.34 1.24 -0.08 4.92 1.70 -0.79 -4.92 118.95 122.37 1rnf s ARG 101 Ca -0.03 -1.66 -0.28 0.00 -0.47 0.00 0.00 55.73 53.30 1rnf s ARG 101 Cb -0.19 0.13 -0.02 0.00 -0.57 0.00 0.00 34.95 34.29 1rnf s ARG 101 CO 0.01 -0.36 0.92 0.50 -1.08 0.00 0.00 175.30 175.29 1rnf s ARG 102 N -4.12 4.45 0.32 3.89 3.52 -1.26 -1.57 118.95 124.17 1rnf s ARG 102 Ca 0.38 1.25 0.06 0.00 -0.13 0.00 0.00 55.73 57.30 1rnf s ARG 102 Cb 0.07 -3.51 -0.06 0.00 -1.56 0.00 0.00 34.95 29.89 1rnf s ARG 102 CO 0.12 -0.17 -0.02 0.14 -0.81 0.00 0.00 175.30 174.56 1rnf s VAL 103 N 1.51 1.65 -0.09 7.11 -7.23 0.16 -4.95 120.40 118.56 1rnf s VAL 103 Ca 0.46 -2.08 0.01 0.00 -1.81 0.00 0.00 61.98 58.56 1rnf s VAL 103 Cb -0.19 -2.64 0.02 0.00 0.56 0.00 0.00 36.38 34.13 1rnf s VAL 103 CO 0.20 -0.17 -0.11 -0.69 -0.31 0.00 0.00 175.10 174.02 1rnf s VAL 104 N -3.00 1.16 0.04 1.32 1.01 -1.26 -1.05 120.40 118.63 1rnf s VAL 104 Ca 0.32 -0.45 0.09 0.00 0.00 0.00 0.00 61.98 61.94 1rnf s VAL 104 Cb 0.06 -1.09 -0.03 0.00 0.00 0.00 0.00 36.38 35.31 1rnf s VAL 104 CO 0.14 0.37 -0.24 -0.63 0.00 0.00 0.00 175.10 174.75 1rnf s ILE 105 N 1.00 2.35 -0.21 2.22 -1.09 -0.66 0.04 121.20 124.85 1rnf s ILE 105 Ca -0.08 -1.33 -0.08 0.00 -2.23 0.00 0.00 60.65 56.93 1rnf s ILE 105 Cb -0.15 -1.94 -0.04 0.00 -1.58 0.00 0.00 42.46 38.75 1rnf s ILE 105 CO -0.00 0.35 0.07 0.00 -1.23 0.00 0.00 174.94 174.13 1rnf s ALA 106 N -0.85 3.32 0.06 9.38 0.00 0.09 -0.91 121.76 132.85 1rnf s ALA 106 Ca 0.13 -0.90 0.07 0.00 0.00 0.00 0.00 51.96 51.25 1rnf s ALA 106 Cb -0.10 -2.01 -0.04 0.00 0.00 0.00 0.00 23.12 20.98 1rnf s ALA 106 CO 0.03 -0.10 -0.14 0.00 0.00 0.00 0.00 175.76 175.55 1rnf s GLU 108 N -1.76 0.61 0.00 0.00 2.02 -0.10 -4.79 118.70 114.67 1rnf s GLU 108 Ca 0.17 -0.55 0.00 0.00 0.02 0.00 0.00 54.97 54.62 1rnf s GLU 108 Cb -0.11 -0.52 0.00 0.00 0.10 0.00 0.00 34.13 33.61 1rnf s GLU 108 CO 0.09 0.12 0.00 0.41 0.02 0.00 0.00 175.26 175.90 1rnf n GLY 109 N 2.14 1.11 2.85 -1.39 0.00 -1.26 -2.10 105.19 106.54 1rnf n GLY 109 Ca -0.18 -2.09 -0.13 0.00 0.00 0.00 0.00 46.02 43.62 1rnf n GLY 109 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1rnf s ASN 110 N 0.00 0.71 0.33 1.61 2.47 -1.26 -3.31 114.94 115.49 1rnf s ASN 110 Ca 0.00 -1.05 -0.27 0.00 0.42 0.00 0.00 52.86 51.96 1rnf s ASN 110 Cb 0.00 0.86 -0.13 0.00 -1.45 0.00 0.00 41.25 40.53 1rnf s ASN 110 CO 0.00 -0.29 0.99 -0.81 -3.72 0.00 0.00 177.10 173.27 1rnf n PRO 111 N 4.71 1.34 -2.99 0.43 -0.04 -1.26 -5.15 135.00 132.04 1rnf n PRO 111 Ca 0.06 0.47 -0.40 0.00 -0.04 0.00 0.00 63.50 63.60 1rnf n PRO 111 Cb 0.48 -1.89 -0.05 0.00 -0.04 0.00 0.00 33.50 32.00 1rnf n PRO 111 CO 0.00 0.00 0.00 -0.65 -0.04 0.00 0.00 175.50 174.81 1rnf s GLN 112 N -1.67 4.47 0.08 0.54 -0.21 -1.21 -4.95 119.66 116.71 1rnf s GLN 112 Ca 0.60 1.00 0.10 0.00 0.02 0.00 0.00 55.36 57.07 1rnf s GLN 112 Cb -0.66 -3.43 -0.03 0.00 1.00 0.00 0.00 33.01 29.89 1rnf s GLN 112 CO 0.59 0.10 -0.26 0.14 -2.12 0.00 0.00 175.29 173.74 1rnf s VAL 113 N 0.61 2.17 0.04 1.09 -7.23 -0.89 -4.90 120.40 111.29 1rnf s VAL 113 Ca 0.40 -1.56 -0.30 0.00 -1.81 0.00 0.00 61.98 58.71 1rnf s VAL 113 Cb -0.19 -1.89 -0.05 0.00 0.56 0.00 0.00 36.38 34.81 1rnf s VAL 113 CO 0.21 0.22 1.22 -2.84 -0.31 0.00 0.00 175.10 173.60 1rnf s PRO 114 N -1.63 4.41 -0.02 4.82 0.02 -1.26 -0.93 135.00 140.41 1rnf s PRO 114 Ca 0.12 1.78 0.02 0.00 0.02 0.00 0.00 61.00 62.94 1rnf s PRO 114 Cb -0.10 -3.39 -0.03 0.00 0.02 0.00 0.00 34.50 31.00 1rnf s PRO 114 CO 0.04 -0.31 -0.00 1.33 -0.33 0.00 0.00 177.00 177.72 1rnf n VAL 115 N 4.09 0.16 -3.73 3.83 0.24 0.62 -4.44 118.33 119.10 1rnf n VAL 115 Ca 0.10 -0.09 -0.12 0.00 -2.04 0.00 0.00 64.34 62.18 1rnf n VAL 115 Cb 0.46 -0.86 -0.13 0.00 -1.47 0.00 0.00 33.84 31.84 1rnf n VAL 115 CO 0.00 0.00 0.00 -2.28 -2.14 0.00 0.00 176.83 172.41 1rnf s HIS 116 N -2.06 -0.33 -0.35 6.34 5.65 -1.04 -4.49 115.29 119.02 1rnf s HIS 116 Ca -0.02 0.78 -0.29 0.00 0.25 0.00 0.00 55.06 55.78 1rnf s HIS 116 Cb 0.01 0.05 0.01 0.00 -1.18 0.00 0.00 32.58 31.46 1rnf s HIS 116 CO 0.09 -0.23 1.32 0.12 -0.65 0.00 0.00 174.74 175.38 1rnf s PHE 117 N 1.22 2.62 -0.34 3.88 5.36 -1.26 -0.73 117.98 128.72 1rnf s PHE 117 Ca -0.09 0.81 0.22 0.00 -0.96 0.00 0.00 56.93 56.91 1rnf s PHE 117 Cb -0.10 -4.06 0.20 0.00 -0.34 0.00 0.00 43.02 38.72 1rnf s PHE 117 CO -0.08 -1.74 1.40 0.22 -1.46 0.00 0.00 175.22 173.56 1rnf h ASP 118 N 9.67 0.00 0.00 6.13 3.58 -0.72 -3.48 116.42 131.60 1rnf h ASP 118 Ca -0.26 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.19 1rnf h ASP 118 Cb 1.10 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.15 1rnf h ASP 118 CO 1.06 0.07 0.00 0.61 -2.88 0.00 0.00 179.24 178.10