#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1bnp s SER 2 N 0.00 5.28 -0.06 6.12 1.04 -1.26 -4.94 113.70 119.88 1bnp s SER 2 Ca 0.00 2.28 0.03 0.00 0.48 0.00 0.00 55.95 58.75 1bnp s SER 2 Cb 0.00 -2.59 0.09 0.00 0.10 0.00 0.00 66.02 63.62 1bnp s SER 2 CO 0.00 -1.53 1.10 2.29 0.98 0.00 0.00 173.24 176.08 1bnp n LYS 3 N -1.66 0.24 -1.25 4.02 2.85 -1.26 -4.94 118.16 116.15 1bnp n LYS 3 Ca 0.13 -1.10 -0.10 0.00 -1.05 0.00 0.00 58.31 56.19 1bnp n LYS 3 Cb 0.50 0.45 0.12 0.00 -0.65 0.00 0.00 35.03 35.46 1bnp n LYS 3 CO 0.00 0.00 0.00 -2.13 -0.05 0.00 0.00 177.40 175.22 1bnp n ARG 4 N -0.23 2.51 0.00 -1.58 0.63 -1.26 -5.03 116.66 111.70 1bnp n ARG 4 Ca -0.25 -3.65 0.00 0.00 -0.92 0.00 0.00 57.85 53.04 1bnp n ARG 4 Cb 0.75 -1.95 0.00 0.00 0.45 0.00 0.00 32.46 31.71 1bnp n ARG 4 CO 0.00 0.00 0.00 1.63 -2.51 0.00 0.00 177.63 176.75 1bnp n LYS 5 N -0.94 0.00 -2.05 -0.14 5.02 -1.26 -4.72 118.16 114.07 1bnp n LYS 5 Ca 0.33 0.00 -0.33 0.00 -2.02 0.00 0.00 58.31 56.30 1bnp n LYS 5 Cb 0.86 0.00 0.01 0.00 -0.02 0.00 0.00 35.03 35.88 1bnp n LYS 5 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1bnp s ALA 6 N -1.00 2.76 -0.49 7.82 0.00 -1.26 -4.90 121.76 124.69 1bnp s ALA 6 Ca 0.00 0.37 -0.26 0.00 0.00 0.00 0.00 51.96 52.07 1bnp s ALA 6 Cb 0.00 -3.22 -0.06 0.00 0.00 0.00 0.00 23.12 19.83 1bnp s ALA 6 CO 0.00 -0.79 2.33 -1.25 0.00 0.00 0.00 175.76 176.05 1bnp s PRO 7 N -4.10 2.24 0.04 0.00 0.04 -1.26 -4.79 135.00 127.17 1bnp s PRO 7 Ca 0.63 1.35 0.04 0.00 0.04 0.00 0.00 61.00 63.06 1bnp s PRO 7 Cb -0.16 -4.54 -0.24 0.00 0.04 0.00 0.00 34.50 29.60 1bnp s PRO 7 CO 0.37 -3.13 0.97 0.37 0.04 0.00 0.00 177.00 175.62 1bnp h GLN 8 N 18.69 0.11 0.00 4.56 5.75 -1.90 -3.47 115.11 138.85 1bnp h GLN 8 Ca -0.26 -0.19 -0.25 0.00 -0.15 0.00 0.00 58.65 57.80 1bnp h GLN 8 Cb 1.25 0.07 0.02 0.00 1.07 0.00 0.00 27.48 29.89 1bnp h GLN 8 CO 1.15 0.94 -0.03 0.39 -2.65 0.00 0.00 178.83 178.64 1bnp n GLU 9 N -3.33 0.76 -0.68 1.69 1.02 -1.26 -5.09 120.64 113.75 1bnp n GLU 9 Ca -0.11 -1.61 -0.29 0.00 -0.02 0.00 0.00 57.16 55.13 1bnp n GLU 9 Cb 1.01 -0.14 0.25 0.00 -0.02 0.00 0.00 31.44 32.54 1bnp n GLU 9 CO 0.00 0.00 0.00 0.95 1.18 0.00 0.00 177.13 179.26 1bnp s THR 10 N -0.90 1.81 0.05 2.62 -4.23 -1.26 -4.98 115.64 108.75 1bnp s THR 10 Ca 0.32 0.00 -0.20 0.00 -1.18 0.00 0.00 61.69 60.63 1bnp s THR 10 Cb -0.02 -2.19 -0.06 0.00 1.34 0.00 0.00 72.50 71.57 1bnp s THR 10 CO 0.20 0.00 0.59 -0.76 -0.54 0.00 0.00 174.62 174.11 1bnp s LEU 11 N -7.20 4.50 0.00 4.79 1.43 -1.26 -5.08 118.68 115.86 1bnp s LEU 11 Ca 0.68 1.25 0.04 0.00 -1.03 0.00 0.00 54.13 55.08 1bnp s LEU 11 Cb -0.20 -2.93 0.05 0.00 0.03 0.00 0.00 46.19 43.14 1bnp s LEU 11 CO 0.61 0.21 0.39 0.59 0.23 0.00 0.00 176.35 178.39 1bnp n ASN 12 N 2.05 0.96 0.00 2.29 3.02 -1.26 -4.96 115.26 117.36 1bnp n ASN 12 Ca -0.09 -1.71 0.00 0.00 -0.03 0.00 0.00 54.58 52.75 1bnp n ASN 12 Cb 0.51 -0.21 0.00 0.00 -0.61 0.00 0.00 39.78 39.46 1bnp n ASN 12 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1bnp n GLY 13 N 1.61 0.70 0.61 7.41 0.00 -1.26 -4.92 105.19 109.33 1bnp n GLY 13 Ca 0.08 -0.38 0.06 0.00 0.00 0.00 0.00 46.02 45.78 1bnp n GLY 13 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1bnp n GLY 14 N 0.00 4.86 0.00 -0.02 0.00 -1.26 -4.82 105.19 103.95 1bnp n GLY 14 Ca 0.00 -1.26 0.00 0.00 0.00 0.00 0.00 46.02 44.76 1bnp n GLY 14 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1bnp n ILE 15 N -1.05 0.00 0.19 -0.61 5.41 -1.26 -2.83 119.36 119.22 1bnp n ILE 15 Ca 0.18 0.96 0.18 0.00 1.00 0.00 0.00 62.75 65.07 1bnp n ILE 15 Cb 0.71 -1.95 0.77 0.00 -0.71 0.00 0.00 39.64 38.47 1bnp n ILE 15 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1bnp h THR 16 N 0.00 0.24 0.05 1.39 1.03 -1.90 -1.75 112.91 111.97 1bnp h THR 16 Ca 0.00 0.00 -0.00 0.00 -0.01 0.00 0.00 66.41 66.40 1bnp h THR 16 Cb 0.00 0.66 0.00 0.00 -1.07 0.00 0.00 68.15 67.74 1bnp h THR 16 CO 0.00 0.00 -0.02 -0.78 -0.01 0.00 0.00 175.52 174.71 1bnp h ASP 17 N 0.00 -0.06 0.16 0.00 3.58 -1.90 -2.67 116.42 115.54 1bnp h ASP 17 Ca 0.12 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.57 1bnp h ASP 17 Cb 0.91 0.01 0.00 0.00 1.72 0.00 0.00 39.33 41.98 1bnp h ASP 17 CO -0.00 0.02 0.00 -0.03 -2.88 0.00 0.00 179.24 176.35 1bnp h MET 18 N -0.20 0.00 0.20 0.28 4.05 -1.40 -1.46 114.93 116.40 1bnp h MET 18 Ca -0.01 0.00 -0.30 0.00 -0.28 0.00 0.00 59.70 59.11 1bnp h MET 18 Cb 0.05 0.00 0.03 0.00 -0.80 0.00 0.00 31.60 30.89 1bnp h MET 18 CO 0.01 0.00 -1.30 1.25 0.23 0.00 0.00 176.91 177.10 1bnp h LEU 19 N 0.00 0.79 -1.33 3.39 5.85 -1.41 -3.06 115.31 119.54 1bnp h LEU 19 Ca 0.00 -0.90 0.00 0.00 0.84 0.00 0.00 57.88 57.82 1bnp h LEU 19 Cb 0.08 -0.25 0.00 0.00 0.37 0.00 0.00 40.66 40.86 1bnp h LEU 19 CO 0.00 1.63 0.00 0.58 -0.34 0.00 0.00 178.44 180.31 1bnp h VAL 20 N 0.08 0.00 -0.04 1.05 2.07 -0.92 -3.00 116.25 115.49 1bnp h VAL 20 Ca -0.22 -0.42 -0.04 0.00 0.82 0.00 0.00 66.70 66.84 1bnp h VAL 20 Cb 2.01 1.36 0.00 0.00 -1.52 0.00 0.00 31.29 33.14 1bnp h VAL 20 CO 0.25 0.00 -0.12 -0.08 0.02 0.00 0.00 177.57 177.64 1bnp h GLU 21 N 0.00 0.15 -0.62 1.57 4.57 -1.30 -1.09 114.58 117.86 1bnp h GLU 21 Ca 0.00 -0.11 0.01 0.00 -1.18 0.00 0.00 59.36 58.09 1bnp h GLU 21 Cb 0.46 0.02 -0.03 0.00 -0.16 0.00 0.00 28.75 29.03 1bnp h GLU 21 CO 0.00 0.73 0.41 1.25 -1.18 0.00 0.00 179.01 180.22 1bnp h LEU 22 N -0.41 0.69 -0.89 1.64 6.46 -1.47 0.10 115.31 121.44 1bnp h LEU 22 Ca -0.00 -0.01 -0.12 0.00 -0.12 0.00 0.00 57.88 57.62 1bnp h LEU 22 Cb 0.74 -0.17 -0.02 0.00 -0.73 0.00 0.00 40.66 40.49 1bnp h LEU 22 CO 0.03 0.49 -0.55 0.00 -0.62 0.00 0.00 178.44 177.78 1bnp h ALA 23 N 1.62 1.08 0.00 1.25 0.00 -1.48 -2.23 119.26 119.50 1bnp h ALA 23 Ca 0.23 -0.50 0.00 0.00 0.00 0.00 0.00 54.91 54.64 1bnp h ALA 23 Cb -0.04 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.66 1bnp h ALA 23 CO -0.06 0.69 0.00 -1.71 0.00 0.00 0.00 179.25 178.18 1bnp n ASN 24 N -3.87 0.00 -0.60 0.00 5.15 0.29 -3.96 115.26 112.27 1bnp n ASN 24 Ca -0.01 -0.39 0.48 0.00 -0.60 0.00 0.00 54.58 54.05 1bnp n ASN 24 Cb 0.56 -0.17 0.78 0.00 -0.53 0.00 0.00 39.78 40.42 1bnp n ASN 24 CO 0.00 0.00 0.00 -0.26 1.40 0.00 0.00 177.26 178.40 1bnp h PHE 25 N 0.00 0.11 -5.48 1.20 -1.00 -0.71 -3.44 116.94 107.62 1bnp h PHE 25 Ca 0.00 0.01 -0.16 0.00 2.81 0.00 0.00 57.97 60.62 1bnp h PHE 25 Cb 0.14 -0.03 -0.10 0.00 3.61 0.00 0.00 35.95 39.57 1bnp h PHE 25 CO 0.00 -0.05 -0.24 -0.85 -1.61 0.00 0.00 178.31 175.56 1bnp n GLU 26 N -4.14 -2.35 0.06 1.51 0.28 -1.25 -4.29 120.64 110.46 1bnp n GLU 26 Ca 0.41 0.04 0.00 0.00 -0.16 0.00 0.00 57.16 57.44 1bnp n GLU 26 Cb 1.80 -4.44 0.00 0.00 1.43 0.00 0.00 31.44 30.23 1bnp n GLU 26 CO 0.00 0.00 0.00 1.17 -0.16 0.00 0.00 177.13 178.14 1bnp n LYS 27 N -2.84 0.00 -0.33 3.44 4.81 -1.26 -4.84 118.16 117.14 1bnp n LYS 27 Ca 0.03 0.00 0.05 0.00 -0.87 0.00 0.00 58.31 57.52 1bnp n LYS 27 Cb 0.47 0.00 0.19 0.00 0.02 0.00 0.00 35.03 35.72 1bnp n LYS 27 CO 0.00 0.00 0.00 -1.71 1.17 0.00 0.00 177.40 176.86 1bnp n ASN 28 N -2.70 2.77 0.00 3.14 5.15 -1.26 -4.49 115.26 117.88 1bnp n ASN 28 Ca 0.00 -2.24 0.00 0.00 -0.60 0.00 0.00 54.58 51.74 1bnp n ASN 28 Cb 0.00 -0.42 0.00 0.00 -0.53 0.00 0.00 39.78 38.83 1bnp n ASN 28 CO 0.00 0.00 0.00 0.52 1.40 0.00 0.00 177.26 179.18 1bnp n VAL 29 N 0.50 0.00 -1.62 3.44 0.31 -1.26 -5.05 118.33 114.64 1bnp n VAL 29 Ca 0.14 0.00 -0.43 0.00 -0.01 0.00 0.00 64.34 64.04 1bnp n VAL 29 Cb 0.53 -0.11 -0.03 0.00 -0.91 0.00 0.00 33.84 33.33 1bnp n VAL 29 CO 0.00 0.00 0.00 -0.94 -1.32 0.00 0.00 176.83 174.57 1bnp s SER 30 N -2.58 5.60 0.00 4.52 1.04 -1.26 -4.19 113.70 116.83 1bnp s SER 30 Ca 0.00 1.99 0.00 0.00 0.48 0.00 0.00 55.95 58.42 1bnp s SER 30 Cb 0.00 -2.51 0.00 0.00 0.10 0.00 0.00 66.02 63.61 1bnp s SER 30 CO 0.00 -1.83 0.00 0.00 0.98 0.00 0.00 173.24 172.39 1bnp n GLN 31 N 8.58 0.00 0.00 4.02 1.13 -1.26 -4.61 117.38 125.24 1bnp n GLN 31 Ca 0.28 0.00 0.00 0.00 -1.94 0.00 0.00 57.00 55.34 1bnp n GLN 31 Cb 0.44 0.00 0.00 0.00 0.11 0.00 0.00 30.24 30.79 1bnp n GLN 31 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1bnp n ALA 32 N 0.00 0.00 -2.28 -1.58 0.00 -1.26 -5.16 120.51 110.23 1bnp n ALA 32 Ca 0.00 0.00 -0.25 0.00 0.00 0.00 0.00 53.44 53.19 1bnp n ALA 32 Cb 0.00 0.00 0.01 0.00 0.00 0.00 0.00 19.45 19.46 1bnp n ALA 32 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 1bnp s ILE 33 N 0.00 4.21 -0.02 0.00 1.01 -1.26 -5.01 121.20 120.12 1bnp s ILE 33 Ca 0.00 -0.21 -0.23 0.00 0.00 0.00 0.00 60.65 60.21 1bnp s ILE 33 Cb 0.00 -3.59 -0.21 0.00 0.01 0.00 0.00 42.46 38.67 1bnp s ILE 33 CO 0.00 -0.50 1.13 1.12 0.00 0.00 0.00 174.94 176.69 1bnp h HIS 34 N 0.24 0.30 0.00 3.97 2.07 -2.00 -3.01 115.15 116.72 1bnp h HIS 34 Ca -0.46 -0.14 -0.02 0.00 -2.85 0.00 0.00 60.37 56.90 1bnp h HIS 34 Cb 1.24 -0.04 -0.00 0.00 2.57 0.00 0.00 27.41 31.17 1bnp h HIS 34 CO 0.49 0.87 -0.09 0.87 -3.07 0.00 0.00 177.93 177.00 1bnp h LYS 35 N -0.35 0.00 -0.56 5.12 1.57 -1.98 -2.65 116.57 117.71 1bnp h LYS 35 Ca -0.02 0.00 -0.06 0.00 -1.87 0.00 0.00 60.65 58.71 1bnp h LYS 35 Cb 0.91 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 33.19 1bnp h LYS 35 CO 0.05 0.09 0.13 -0.92 -0.57 0.00 0.00 179.45 178.23 1bnp h TYR 36 N 0.00 0.95 -0.02 -1.35 3.20 -1.83 -2.05 116.97 115.87 1bnp h TYR 36 Ca -0.00 -0.11 0.00 0.00 3.14 0.00 0.00 58.73 61.75 1bnp h TYR 36 Cb 0.44 -0.27 0.00 0.00 1.54 0.00 0.00 36.73 38.44 1bnp h TYR 36 CO 0.00 0.82 0.00 -1.71 -1.64 0.00 0.00 178.16 175.63 1bnp n ASN 37 N -4.39 0.33 0.07 -2.11 2.85 -1.01 -3.55 115.26 107.45 1bnp n ASN 37 Ca 0.02 -1.27 -0.12 0.00 -0.11 0.00 0.00 54.58 53.11 1bnp n ASN 37 Cb 0.24 -0.01 -0.13 0.00 1.24 0.00 0.00 39.78 41.11 1bnp n ASN 37 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 1bnp h ALA 38 N 3.90 0.30 0.00 5.20 0.00 -1.29 -2.73 119.26 124.64 1bnp h ALA 38 Ca 0.00 -1.01 -0.25 0.00 0.00 0.00 0.00 54.91 53.65 1bnp h ALA 38 Cb 0.10 0.06 -0.04 0.00 0.00 0.00 0.00 17.79 17.92 1bnp h ALA 38 CO 0.00 1.18 -1.34 1.88 0.00 0.00 0.00 179.25 180.96 1bnp h TYR 39 N 0.04 0.01 -0.04 0.00 0.05 -1.61 -2.29 116.97 113.12 1bnp h TYR 39 Ca -0.13 -0.00 -0.21 0.00 0.05 0.00 0.00 58.73 58.43 1bnp h TYR 39 Cb 1.91 -0.00 0.00 0.00 1.01 0.00 0.00 36.73 39.66 1bnp h TYR 39 CO 0.03 1.01 -0.86 -0.09 -1.05 0.00 0.00 178.16 177.20 1bnp h ARG 40 N 0.00 0.46 0.07 4.88 9.65 -1.66 -2.24 114.38 125.54 1bnp h ARG 40 Ca -0.14 -0.44 -0.11 0.00 -1.10 0.00 0.00 59.98 58.19 1bnp h ARG 40 Cb 1.89 0.11 0.01 0.00 -1.39 0.00 0.00 29.97 30.59 1bnp h ARG 40 CO 0.11 1.08 -0.47 -0.22 2.80 0.00 0.00 179.97 183.27 1bnp h LYS 41 N 0.29 0.19 0.19 0.20 3.64 -1.58 -2.73 116.57 116.77 1bnp h LYS 41 Ca -0.06 -0.30 -0.01 0.00 -1.27 0.00 0.00 60.65 59.00 1bnp h LYS 41 Cb 1.47 0.11 0.00 0.00 -0.41 0.00 0.00 32.23 33.40 1bnp h LYS 41 CO 0.15 1.12 -0.09 0.00 -2.27 0.00 0.00 179.45 178.36 1bnp h ALA 42 N 0.09 -0.26 0.00 5.00 0.00 -1.43 -2.03 119.26 120.62 1bnp h ALA 42 Ca -0.08 -0.06 -0.02 0.00 0.00 0.00 0.00 54.91 54.76 1bnp h ALA 42 Cb 1.35 0.10 -0.00 0.00 0.00 0.00 0.00 17.79 19.24 1bnp h ALA 42 CO 0.09 -0.64 -0.08 0.00 0.00 0.00 0.00 179.25 178.62 1bnp h ALA 43 N 0.56 1.67 -0.16 0.00 0.00 -1.54 -1.54 119.26 118.25 1bnp h ALA 43 Ca -0.03 -0.07 -0.05 0.00 0.00 0.00 0.00 54.91 54.76 1bnp h ALA 43 Cb 0.20 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 17.97 1bnp h ALA 43 CO 0.04 0.10 -0.14 1.03 0.00 0.00 0.00 179.25 180.28 1bnp h SER 44 N 0.00 0.24 0.61 0.00 0.87 -1.04 -2.03 113.55 112.20 1bnp h SER 44 Ca -0.00 -0.05 -0.20 0.00 -1.23 0.00 0.00 61.79 60.30 1bnp h SER 44 Cb 0.16 -0.06 -0.04 0.00 -0.44 0.00 0.00 62.40 62.02 1bnp h SER 44 CO 0.01 0.41 -1.53 0.55 -0.53 0.00 0.00 176.83 175.74 1bnp n VAL 45 N -4.26 1.29 0.06 2.23 3.14 -0.65 -3.92 118.33 116.22 1bnp n VAL 45 Ca -0.01 -0.72 -0.03 0.00 -2.96 0.00 0.00 64.34 60.62 1bnp n VAL 45 Cb 0.28 -0.80 -0.02 0.00 -1.06 0.00 0.00 33.84 32.24 1bnp n VAL 45 CO 0.00 0.00 0.00 0.40 -6.46 0.00 0.00 176.83 170.77 1bnp h ILE 46 N 0.00 0.00 -0.53 1.55 1.08 -1.20 -2.88 117.51 115.52 1bnp h ILE 46 Ca -0.21 -0.67 0.16 0.00 -0.39 0.00 0.00 64.86 63.75 1bnp h ILE 46 Cb 1.71 0.00 -0.02 0.00 -3.07 0.00 0.00 36.82 35.44 1bnp h ILE 46 CO 0.05 0.00 0.59 0.00 -0.69 0.00 0.00 178.15 178.10 1bnp h ALA 47 N -1.22 2.28 -0.01 1.87 0.00 -1.59 0.29 119.26 120.87 1bnp h ALA 47 Ca -0.02 -0.02 -0.10 0.00 0.00 0.00 0.00 54.91 54.76 1bnp h ALA 47 Cb 0.17 0.04 0.01 0.00 0.00 0.00 0.00 17.79 18.01 1bnp h ALA 47 CO 0.04 -0.87 -0.40 -0.22 0.00 0.00 0.00 179.25 177.80 1bnp h LYS 48 N 0.00 0.29 -7.35 0.00 1.63 -1.68 -3.45 116.57 106.01 1bnp h LYS 48 Ca 0.25 -0.30 -0.47 0.00 -0.85 0.00 0.00 60.65 59.29 1bnp h LYS 48 Cb 1.43 0.08 0.08 0.00 -0.60 0.00 0.00 32.23 33.22 1bnp h LYS 48 CO -0.00 0.99 0.28 1.52 -3.45 0.00 0.00 179.45 178.79 1bnp s TYR 49 N -3.23 3.06 -0.68 1.91 1.13 0.10 -4.91 117.35 114.72 1bnp s TYR 49 Ca -0.15 0.64 0.00 0.00 -1.41 0.00 0.00 57.07 56.15 1bnp s TYR 49 Cb 0.02 -3.14 0.00 0.00 -1.10 0.00 0.00 41.96 37.75 1bnp s TYR 49 CO 0.78 -1.32 0.08 -0.35 -2.51 0.00 0.00 175.55 172.23 1bnp n PRO 50 N -2.94 0.12 0.00 -3.49 -0.05 -1.26 -4.84 135.00 122.54 1bnp n PRO 50 Ca 0.07 0.00 0.00 0.00 -0.05 0.00 0.00 63.50 63.52 1bnp n PRO 50 Cb 0.59 -1.18 0.00 0.00 -0.05 0.00 0.00 33.50 32.86 1bnp n PRO 50 CO 0.00 0.00 0.00 -2.39 -0.05 0.00 0.00 175.50 173.06 1bnp n HIS 51 N 0.60 -0.35 -1.94 0.54 1.44 -1.24 -4.97 115.22 109.30 1bnp n HIS 51 Ca 0.00 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 55.71 1bnp n HIS 51 Cb 0.04 0.02 0.00 0.00 0.12 0.00 0.00 29.99 30.17 1bnp n HIS 51 CO 0.00 0.00 0.00 1.17 -2.81 0.00 0.00 176.34 174.70 1bnp n LYS 52 N -0.05 -5.01 -4.31 -1.40 4.81 -1.26 -4.99 118.16 105.96 1bnp n LYS 52 Ca 0.00 3.60 -0.27 0.00 -0.87 0.00 0.00 58.31 60.78 1bnp n LYS 52 Cb 0.00 -3.88 -0.10 0.00 0.02 0.00 0.00 35.03 31.07 1bnp n LYS 52 CO 0.00 0.00 0.00 0.96 1.17 0.00 0.00 177.40 179.53 1bnp s ILE 53 N -0.47 3.08 -0.10 3.15 -4.36 -1.26 -5.03 121.20 116.21 1bnp s ILE 53 Ca 0.00 -1.70 -0.07 0.00 -0.26 0.00 0.00 60.65 58.63 1bnp s ILE 53 Cb 0.00 -2.52 -0.02 0.00 1.25 0.00 0.00 42.46 41.17 1bnp s ILE 53 CO 0.00 -0.10 -0.13 0.11 0.24 0.00 0.00 174.94 175.06 1bnp h LYS 54 N 2.98 0.00 0.00 0.37 1.79 -1.96 -3.47 116.57 116.27 1bnp h LYS 54 Ca -0.47 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.00 1bnp h LYS 54 Cb 1.20 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.85 1bnp h LYS 54 CO 0.53 0.00 -0.78 -1.13 -1.08 0.00 0.00 179.45 177.00 1bnp n SER 55 N -4.03 2.10 0.00 0.86 3.41 -1.26 -4.49 113.62 110.20 1bnp n SER 55 Ca -0.05 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.56 1bnp n SER 55 Cb 0.19 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.14 1bnp n SER 55 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1bnp n GLY 56 N 2.93 0.40 0.31 5.00 0.00 -1.26 -4.97 105.19 107.60 1bnp n GLY 56 Ca 0.00 0.00 0.17 0.00 0.00 0.00 0.00 46.02 46.19 1bnp n GLY 56 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1bnp h ALA 57 N 0.00 1.42 -0.61 4.61 0.00 -1.99 -1.78 119.26 120.90 1bnp h ALA 57 Ca 0.00 -0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 1bnp h ALA 57 Cb 0.00 -0.00 -0.03 0.00 0.00 0.00 0.00 17.79 17.76 1bnp h ALA 57 CO 0.00 0.00 0.34 0.93 0.00 0.00 0.00 179.25 180.52 1bnp h GLU 58 N 0.00 0.83 0.00 0.00 4.39 -1.99 -1.38 114.58 116.44 1bnp h GLU 58 Ca -0.00 -0.08 -0.05 0.00 0.34 0.00 0.00 59.36 59.57 1bnp h GLU 58 Cb 0.00 -0.17 -0.01 0.00 -0.10 0.00 0.00 28.75 28.47 1bnp h GLU 58 CO 0.00 0.61 -0.24 0.00 -1.16 0.00 0.00 179.01 178.22 1bnp h ALA 59 N 1.53 1.23 -0.32 3.43 0.00 -1.69 -2.20 119.26 121.23 1bnp h ALA 59 Ca 0.22 -0.22 -0.17 0.00 0.00 0.00 0.00 54.91 54.74 1bnp h ALA 59 Cb 0.02 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 17.77 1bnp h ALA 59 CO -0.04 0.30 -0.46 0.87 0.00 0.00 0.00 179.25 179.92 1bnp h LYS 60 N 0.00 0.88 -0.00 0.00 1.57 -1.33 -3.15 116.57 114.54 1bnp h LYS 60 Ca -0.00 -0.52 -0.17 0.00 -1.87 0.00 0.00 60.65 58.09 1bnp h LYS 60 Cb 0.57 0.04 -0.02 0.00 0.08 0.00 0.00 32.23 32.91 1bnp h LYS 60 CO 0.03 1.16 -0.81 1.57 -0.57 0.00 0.00 179.45 180.82 1bnp h LYS 61 N 0.67 0.06 -6.12 3.15 2.10 -1.38 -3.43 116.57 111.62 1bnp h LYS 61 Ca 0.03 -0.06 -0.57 0.00 -2.00 0.00 0.00 60.65 58.05 1bnp h LYS 61 Cb 1.06 0.02 -0.00 0.00 -0.90 0.00 0.00 32.23 32.41 1bnp h LYS 61 CO 0.11 0.84 1.39 -0.51 -2.00 0.00 0.00 179.45 179.27 1bnp s LEU 62 N -7.27 3.69 -0.56 7.07 1.43 -0.85 -4.87 118.68 117.33 1bnp s LEU 62 Ca -0.01 1.97 -0.26 0.00 -1.03 0.00 0.00 54.13 54.80 1bnp s LEU 62 Cb 0.11 -3.52 -0.05 0.00 0.03 0.00 0.00 46.19 42.77 1bnp s LEU 62 CO 0.80 -1.69 2.14 -2.16 0.23 0.00 0.00 176.35 175.67 1bnp s PRO 63 N 5.75 2.34 0.00 1.29 0.04 -1.26 -2.68 135.00 140.48 1bnp s PRO 63 Ca 0.93 1.00 0.00 0.00 0.04 0.00 0.00 61.00 62.97 1bnp s PRO 63 Cb -0.33 -4.50 0.00 0.00 0.04 0.00 0.00 34.50 29.71 1bnp s PRO 63 CO 0.36 -3.04 0.00 0.41 0.04 0.00 0.00 177.00 174.77 1bnp n GLY 64 N 5.88 3.61 3.59 0.56 0.00 -1.26 -4.60 105.19 112.96 1bnp n GLY 64 Ca 0.29 -0.52 -0.41 0.00 0.00 0.00 0.00 46.02 45.39 1bnp n GLY 64 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1bnp s VAL 65 N 0.00 5.02 0.00 1.61 1.01 -1.09 -3.44 120.40 123.50 1bnp s VAL 65 Ca 0.00 0.65 0.00 0.00 0.00 0.00 0.00 61.98 62.63 1bnp s VAL 65 Cb 0.00 -3.92 0.00 0.00 0.00 0.00 0.00 36.38 32.46 1bnp s VAL 65 CO 0.00 -0.09 0.00 0.61 0.00 0.00 0.00 175.10 175.62 1bnp n GLY 66 N 4.58 0.80 3.27 4.51 0.00 -1.26 -4.51 105.19 112.57 1bnp n GLY 66 Ca -0.04 -1.92 -0.43 0.00 0.00 0.00 0.00 46.02 43.64 1bnp n GLY 66 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1bnp n THR 67 N -0.72 4.05 0.01 2.61 -1.04 -1.26 -3.95 114.28 113.99 1bnp n THR 67 Ca 0.00 -4.20 0.00 0.00 -2.04 0.00 0.00 64.05 57.81 1bnp n THR 67 Cb 0.00 -2.43 0.00 0.00 -1.82 0.00 0.00 70.33 66.08 1bnp n THR 67 CO 0.00 0.00 0.00 1.17 -0.64 0.00 0.00 175.07 175.60 1bnp n LYS 68 N 6.25 0.00 0.18 -2.82 0.00 -1.26 -4.93 118.16 115.58 1bnp n LYS 68 Ca 0.44 0.00 0.07 0.00 0.00 0.00 0.00 58.31 58.82 1bnp n LYS 68 Cb 0.42 0.00 0.14 0.00 0.00 0.00 0.00 35.03 35.59 1bnp n LYS 68 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.40 178.22 1bnp h ILE 69 N 0.00 0.46 -0.16 3.15 1.08 -1.91 -3.20 117.51 116.94 1bnp h ILE 69 Ca 0.00 -1.58 0.05 0.00 -0.39 0.00 0.00 64.86 62.94 1bnp h ILE 69 Cb 0.00 2.17 -0.01 0.00 -3.07 0.00 0.00 36.82 35.91 1bnp h ILE 69 CO 0.00 0.25 0.12 0.00 -0.69 0.00 0.00 178.15 177.84 1bnp h ALA 70 N 1.74 2.05 -0.78 1.87 0.00 -1.92 -0.60 119.26 121.62 1bnp h ALA 70 Ca -0.00 -0.01 -0.05 0.00 0.00 0.00 0.00 54.91 54.85 1bnp h ALA 70 Cb 1.14 0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.91 1bnp h ALA 70 CO 0.03 -0.20 0.30 1.49 0.00 0.00 0.00 179.25 180.87 1bnp h GLU 71 N 0.00 1.18 -0.37 0.00 4.81 -1.90 -2.32 114.58 115.98 1bnp h GLU 71 Ca 0.08 -0.22 -0.12 0.00 -0.13 0.00 0.00 59.36 58.97 1bnp h GLU 71 Cb 0.32 -0.19 -0.01 0.00 0.63 0.00 0.00 28.75 29.50 1bnp h GLU 71 CO -0.00 0.96 -0.25 -0.22 -0.73 0.00 0.00 179.01 178.77 1bnp h LYS 72 N 1.14 0.75 0.00 1.92 1.63 -1.31 -2.30 116.57 118.41 1bnp h LYS 72 Ca 0.26 -0.32 -0.00 0.00 -0.85 0.00 0.00 60.65 59.74 1bnp h LYS 72 Cb 0.23 -0.03 -0.00 0.00 -0.60 0.00 0.00 32.23 31.83 1bnp h LYS 72 CO -0.02 0.93 -0.00 0.82 -3.45 0.00 0.00 179.45 177.72 1bnp h ILE 73 N 0.65 0.61 0.00 2.00 2.04 -1.01 -0.17 117.51 121.63 1bnp h ILE 73 Ca 0.08 -0.02 -0.18 0.00 1.00 0.00 0.00 64.86 65.75 1bnp h ILE 73 Cb 0.76 1.01 -0.03 0.00 -0.74 0.00 0.00 36.82 37.83 1bnp h ILE 73 CO 0.06 0.00 -1.07 -0.78 0.00 0.00 0.00 178.15 176.37 1bnp h ASP 74 N 0.00 0.00 -0.78 1.72 1.82 -1.08 -2.90 116.42 115.20 1bnp h ASP 74 Ca -0.00 0.00 0.02 0.00 -0.39 0.00 0.00 57.03 56.66 1bnp h ASP 74 Cb 0.01 0.00 -0.04 0.00 0.68 0.00 0.00 39.33 39.98 1bnp h ASP 74 CO 0.00 0.74 0.51 -0.33 -1.61 0.00 0.00 179.24 178.55 1bnp h GLU 75 N 0.00 1.00 0.09 0.28 5.08 -0.62 0.84 114.58 121.25 1bnp h GLU 75 Ca -0.09 -0.06 -0.29 0.00 -1.00 0.00 0.00 59.36 57.92 1bnp h GLU 75 Cb 1.64 -0.22 -0.01 0.00 0.50 0.00 0.00 28.75 30.65 1bnp h GLU 75 CO 0.08 0.66 -1.46 0.74 -1.00 0.00 0.00 179.01 178.03 1bnp h PHE 76 N 1.03 0.34 -0.35 4.33 0.04 -1.65 -3.29 116.94 117.40 1bnp h PHE 76 Ca 0.30 -0.25 0.00 0.00 2.80 0.00 0.00 57.97 60.82 1bnp h PHE 76 Cb -0.07 -0.01 0.00 0.00 2.20 0.00 0.00 35.95 38.07 1bnp h PHE 76 CO -0.02 1.28 0.00 1.28 -0.60 0.00 0.00 178.31 180.25 1bnp n LEU 77 N -3.40 2.93 -0.02 1.54 7.99 -1.04 -4.31 117.00 120.69 1bnp n LEU 77 Ca -0.14 -1.48 -0.01 0.00 -0.01 0.00 0.00 56.01 54.37 1bnp n LEU 77 Cb 1.03 -0.46 -0.00 0.00 -0.11 0.00 0.00 43.42 43.88 1bnp n LEU 77 CO 0.50 0.49 -0.10 0.00 -1.51 0.00 0.00 177.39 176.76 1bnp n ALA 78 N 0.48 0.13 0.00 -1.18 0.00 0.29 -4.93 120.51 115.29 1bnp n ALA 78 Ca 0.14 -0.21 0.00 0.00 0.00 0.00 0.00 53.44 53.37 1bnp n ALA 78 Cb 0.58 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.03 1bnp n ALA 78 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 1bnp n THR 79 N -2.92 0.00 0.00 0.00 -1.04 -1.26 -5.07 114.28 103.99 1bnp n THR 79 Ca -0.02 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 61.99 1bnp n THR 79 Cb 0.08 -0.63 0.00 0.00 -1.82 0.00 0.00 70.33 67.96 1bnp n THR 79 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1bnp n GLY 80 N 1.79 3.16 3.25 3.41 0.00 -1.26 -5.01 105.19 110.53 1bnp n GLY 80 Ca 0.00 -0.87 -0.13 0.00 0.00 0.00 0.00 46.02 45.01 1bnp n GLY 80 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1bnp s LYS 81 N 0.00 0.64 -0.84 1.61 0.00 -1.26 -5.06 119.74 114.83 1bnp s LYS 81 Ca 0.00 -0.08 0.00 0.00 0.00 0.00 0.00 55.97 55.89 1bnp s LYS 81 Cb 0.00 0.29 0.35 0.00 0.00 0.00 0.00 37.83 38.46 1bnp s LYS 81 CO 0.00 -0.17 1.70 1.28 0.00 0.00 0.00 175.35 178.16 1bnp n LEU 82 N 1.49 6.73 0.00 2.77 4.77 -1.26 -5.04 117.00 126.45 1bnp n LEU 82 Ca -0.20 -5.22 0.08 0.00 -0.03 0.00 0.00 56.01 50.63 1bnp n LEU 82 Cb 0.56 -0.97 -0.02 0.00 -2.33 0.00 0.00 43.42 40.66 1bnp n LEU 82 CO 0.21 2.01 -0.10 0.54 -1.33 0.00 0.00 177.39 178.72 1bnp n ARG 83 N -0.30 -1.13 0.04 3.23 3.00 -1.26 -4.87 116.66 115.37 1bnp n ARG 83 Ca 0.46 0.74 -0.00 0.00 -0.01 0.00 0.00 57.85 59.05 1bnp n ARG 83 Cb 0.31 -1.38 -0.00 0.00 0.00 0.00 0.00 32.46 31.40 1bnp n ARG 83 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.63 179.26 1bnp n LYS 84 N -2.85 0.00 -3.11 5.56 4.76 -1.26 -5.11 118.16 116.16 1bnp n LYS 84 Ca 0.00 0.00 -0.17 0.00 -2.87 0.00 0.00 58.31 55.28 1bnp n LYS 84 Cb 0.26 -0.42 -0.01 0.00 -1.84 0.00 0.00 35.03 33.01 1bnp n LYS 84 CO 0.00 0.00 0.00 1.28 -1.37 0.00 0.00 177.40 177.31 1bnp n LEU 85 N -3.34 0.00 -3.70 -0.35 4.77 -1.26 -5.16 117.00 107.96 1bnp n LEU 85 Ca -0.00 -1.81 -0.04 0.00 -0.03 0.00 0.00 56.01 54.13 1bnp n LEU 85 Cb 0.00 0.04 -0.01 0.00 -2.33 0.00 0.00 43.42 41.12 1bnp n LEU 85 CO 0.00 -0.41 0.74 -1.83 -1.33 0.00 0.00 177.39 174.56 1bnp s GLU 86 N -3.32 1.07 0.00 3.23 -1.05 -1.26 -5.21 118.70 112.16 1bnp s GLU 86 Ca 0.14 -0.57 0.00 0.00 -0.15 0.00 0.00 54.97 54.40 1bnp s GLU 86 Cb -0.01 0.38 0.00 0.00 -0.44 0.00 0.00 34.13 34.06 1bnp s GLU 86 CO 0.09 -0.49 0.00 0.36 0.95 0.00 0.00 175.26 176.17