#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1bnp n SER 2 N 0.00 -7.99 -3.50 7.83 2.88 -1.26 -5.01 113.62 106.57 1bnp n SER 2 Ca 0.00 0.90 -0.27 0.00 -1.33 0.00 0.00 58.87 58.17 1bnp n SER 2 Cb 0.00 -5.38 -0.11 0.00 -0.75 0.00 0.00 64.21 57.97 1bnp n SER 2 CO 0.00 0.00 0.00 -0.75 -1.23 0.00 0.00 175.04 173.06 1bnp s LYS 3 N -2.22 1.16 -1.16 -1.46 2.20 -1.26 -5.04 119.74 111.97 1bnp s LYS 3 Ca 0.15 -2.25 -0.13 0.00 -0.36 0.00 0.00 55.97 53.37 1bnp s LYS 3 Cb -0.04 -1.80 0.19 0.00 -1.51 0.00 0.00 37.83 34.67 1bnp s LYS 3 CO 0.78 -1.35 1.34 1.03 -0.36 0.00 0.00 175.35 176.79 1bnp s ARG 4 N -0.10 4.06 -0.12 4.03 0.52 -1.26 -4.77 118.95 121.31 1bnp s ARG 4 Ca 0.30 -2.62 -0.09 0.00 -0.52 0.00 0.00 55.73 52.80 1bnp s ARG 4 Cb -0.01 -4.95 -0.03 0.00 0.52 0.00 0.00 34.95 30.47 1bnp s ARG 4 CO -0.17 -1.67 -0.18 1.17 0.02 0.00 0.00 175.30 174.48 1bnp n LYS 5 N 5.20 0.37 -2.27 3.54 3.00 -1.26 -4.95 118.16 121.78 1bnp n LYS 5 Ca 0.33 0.37 -0.32 0.00 -0.00 0.00 0.00 58.31 58.68 1bnp n LYS 5 Cb 0.43 -1.39 -0.02 0.00 0.00 0.00 0.00 35.03 34.05 1bnp n LYS 5 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1bnp s ALA 6 N -2.84 2.92 0.06 3.14 0.00 -1.26 -4.96 121.76 118.83 1bnp s ALA 6 Ca -0.15 0.30 -0.30 0.00 0.00 0.00 0.00 51.96 51.81 1bnp s ALA 6 Cb 0.02 -3.17 -0.09 0.00 0.00 0.00 0.00 23.12 19.88 1bnp s ALA 6 CO 0.22 -0.47 1.86 -1.25 0.00 0.00 0.00 175.76 176.12 1bnp s PRO 7 N -4.00 4.15 -0.58 0.00 0.04 -1.26 -4.88 135.00 128.47 1bnp s PRO 7 Ca 0.61 2.54 -0.04 0.00 0.04 0.00 0.00 61.00 64.15 1bnp s PRO 7 Cb -0.13 -3.89 0.06 0.00 0.04 0.00 0.00 34.50 30.57 1bnp s PRO 7 CO 0.32 -0.89 2.74 1.04 0.04 0.00 0.00 177.00 180.26 1bnp n GLN 8 N 6.67 2.75 0.00 4.56 1.13 -1.26 -4.09 117.38 127.15 1bnp n GLN 8 Ca 0.18 -2.48 0.00 0.00 -1.94 0.00 0.00 57.00 52.77 1bnp n GLN 8 Cb 0.40 -2.22 0.00 0.00 0.11 0.00 0.00 30.24 28.53 1bnp n GLN 8 CO 0.00 0.00 0.00 -1.91 -1.44 0.00 0.00 177.06 173.71 1bnp n GLU 9 N 1.08 0.00 -3.63 -1.09 4.07 -1.26 -5.15 120.64 114.67 1bnp n GLU 9 Ca 0.51 0.00 -0.05 0.00 -0.06 0.00 0.00 57.16 57.56 1bnp n GLU 9 Cb 0.51 0.00 -0.05 0.00 -0.06 0.00 0.00 31.44 31.84 1bnp n GLU 9 CO 0.00 0.00 0.00 -0.08 -0.06 0.00 0.00 177.13 176.99 1bnp s THR 10 N -1.46 0.00 -0.08 6.31 -1.32 -1.26 -5.07 115.64 112.76 1bnp s THR 10 Ca 0.00 0.00 -0.11 0.00 -1.21 0.00 0.00 61.69 60.37 1bnp s THR 10 Cb 0.00 -1.00 -0.08 0.00 -1.51 0.00 0.00 72.50 69.91 1bnp s THR 10 CO 0.00 0.00 0.41 -0.07 -2.21 0.00 0.00 174.62 172.75 1bnp h LEU 11 N 2.57 -0.17 0.00 9.08 4.07 -2.02 -3.44 115.31 125.41 1bnp h LEU 11 Ca -0.16 -0.15 -0.20 0.00 0.08 0.00 0.00 57.88 57.45 1bnp h LEU 11 Cb 1.18 0.04 0.04 0.00 1.08 0.00 0.00 40.66 43.01 1bnp h LEU 11 CO 0.23 0.37 0.08 0.59 -1.08 0.00 0.00 178.44 178.63 1bnp n ASN 12 N -4.89 0.48 0.00 -0.43 3.02 -1.26 -5.00 115.26 107.18 1bnp n ASN 12 Ca -0.04 -1.44 0.00 0.00 -0.03 0.00 0.00 54.58 53.07 1bnp n ASN 12 Cb 0.16 -0.32 0.00 0.00 -0.61 0.00 0.00 39.78 39.01 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 1.55 -2.81 0.00 7.41 0.00 -1.26 -5.02 105.19 105.05 1bnp n GLY 13 Ca 0.07 -1.71 0.00 0.00 0.00 0.00 0.00 46.02 44.38 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 -0.57 1.70 0.06 -0.02 0.00 -1.26 -4.77 105.19 100.33 1bnp n GLY 14 Ca 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 45.98 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 -1.26 1.21 0.17 -0.61 5.41 -1.26 -3.06 119.36 119.96 1bnp n ILE 15 Ca 0.00 0.26 0.15 0.00 1.00 0.00 0.00 62.75 64.15 1bnp n ILE 15 Cb 0.00 -2.26 0.74 0.00 -0.71 0.00 0.00 39.64 37.41 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 -0.85 0.72 0.00 1.39 1.03 -1.90 -1.58 112.91 111.73 1bnp h THR 16 Ca 0.00 0.00 -0.04 0.00 -0.01 0.00 0.00 66.41 66.36 1bnp h THR 16 Cb 0.47 0.88 -0.01 0.00 -1.07 0.00 0.00 68.15 68.42 1bnp h THR 16 CO 0.00 0.00 -0.29 0.44 -0.01 0.00 0.00 175.52 175.66 1bnp h ASP 17 N 0.00 0.00 -0.02 0.00 5.19 -1.94 -2.96 116.42 116.69 1bnp h ASP 17 Ca 0.10 -0.58 0.01 0.00 -0.62 0.00 0.00 57.03 55.93 1bnp h ASP 17 Cb 0.43 0.00 -0.00 0.00 0.18 0.00 0.00 39.33 39.94 1bnp h ASP 17 CO -0.00 0.96 0.02 0.24 -3.12 0.00 0.00 179.24 177.34 1bnp h MET 18 N -1.00 0.00 0.01 3.56 2.86 -1.44 0.53 114.93 119.45 1bnp h MET 18 Ca -0.07 0.00 -0.19 0.00 -2.06 0.00 0.00 59.70 57.38 1bnp h MET 18 Cb 0.78 0.00 0.02 0.00 0.06 0.00 0.00 31.60 32.46 1bnp h MET 18 CO -0.04 0.00 -0.74 -0.07 1.06 0.00 0.00 176.91 177.12 1bnp h LEU 19 N 0.00 0.63 0.00 1.22 3.38 -1.40 -2.84 115.31 116.30 1bnp h LEU 19 Ca 0.01 -0.77 0.00 0.00 0.09 0.00 0.00 57.88 57.21 1bnp h LEU 19 Cb 0.06 -0.19 0.00 0.00 0.09 0.00 0.00 40.66 40.61 1bnp h LEU 19 CO -0.00 1.32 0.00 0.52 0.09 0.00 0.00 178.44 180.37 1bnp n VAL 20 N -4.11 0.08 -0.05 1.22 0.31 -0.25 -2.93 118.33 112.59 1bnp n VAL 20 Ca -0.11 0.02 -0.00 0.00 -0.01 0.00 0.00 64.34 64.24 1bnp n VAL 20 Cb 0.74 -0.58 -0.00 0.00 -0.91 0.00 0.00 33.84 33.10 1bnp n VAL 20 CO 0.00 0.00 0.00 -0.08 -1.32 0.00 0.00 176.83 175.43 1bnp h GLU 21 N 0.00 0.00 0.00 5.55 4.81 0.23 -1.41 114.58 123.75 1bnp h GLU 21 Ca 0.00 0.00 -0.02 0.00 -0.13 0.00 0.00 59.36 59.21 1bnp h GLU 21 Cb 0.17 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 29.54 1bnp h GLU 21 CO 0.00 0.00 -0.09 1.37 -0.73 0.00 0.00 179.01 179.56 1bnp h LEU 22 N -0.95 0.00 -0.27 1.64 -0.00 -1.64 -0.83 115.31 113.26 1bnp h LEU 22 Ca 0.00 0.00 -0.21 0.00 -0.00 0.00 0.00 57.88 57.67 1bnp h LEU 22 Cb 0.02 0.00 -0.00 0.00 -0.00 0.00 0.00 40.66 40.68 1bnp h LEU 22 CO 0.00 0.09 -0.84 0.00 -0.00 0.00 0.00 178.44 177.68 1bnp h ALA 23 N 1.91 0.47 0.00 0.17 0.00 -1.62 -2.53 119.26 117.66 1bnp h ALA 23 Ca -0.00 -0.66 0.00 0.00 0.00 0.00 0.00 54.91 54.25 1bnp h ALA 23 Cb 0.20 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.95 1bnp h ALA 23 CO 0.01 0.79 0.00 -0.91 0.00 0.00 0.00 179.25 179.15 1bnp h ASN 24 N 0.25 0.00 -0.96 0.00 -0.26 0.01 -3.17 115.58 111.45 1bnp h ASN 24 Ca -0.06 0.00 0.13 0.00 -0.56 0.00 0.00 56.30 55.82 1bnp h ASN 24 Cb 1.45 0.00 -0.14 0.00 -1.06 0.00 0.00 38.32 38.57 1bnp h ASN 24 CO 0.15 0.00 -0.43 0.49 -1.06 0.00 0.00 177.43 176.58 1bnp n PHE 25 N -2.95 -0.10 -1.72 1.19 3.72 -0.95 -4.77 117.46 111.88 1bnp n PHE 25 Ca -0.02 1.19 -0.17 0.00 -0.05 0.00 0.00 57.45 58.40 1bnp n PHE 25 Cb 0.12 -0.78 -0.05 0.00 -0.94 0.00 0.00 39.48 37.82 1bnp n PHE 25 CO 0.00 0.00 0.00 0.39 -0.05 0.00 0.00 176.76 177.10 1bnp n GLU 26 N -5.36 -1.52 0.00 -1.08 1.02 -1.20 -3.62 120.64 108.89 1bnp n GLU 26 Ca 0.08 0.93 0.00 0.00 -0.02 0.00 0.00 57.16 58.15 1bnp n GLU 26 Cb 0.35 -5.33 0.00 0.00 -0.02 0.00 0.00 31.44 26.44 1bnp n GLU 26 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 1bnp n LYS 27 N -2.31 0.00 0.23 3.49 5.02 -1.26 -4.94 118.16 118.39 1bnp n LYS 27 Ca -0.17 0.00 0.12 0.00 -2.02 0.00 0.00 58.31 56.24 1bnp n LYS 27 Cb 0.57 0.00 0.43 0.00 -0.02 0.00 0.00 35.03 36.02 1bnp n LYS 27 CO 0.00 0.00 0.00 -0.91 -0.52 0.00 0.00 177.40 175.97 1bnp h ASN 28 N 0.00 0.00 -3.89 4.39 4.21 -1.91 -3.45 115.58 114.93 1bnp h ASN 28 Ca 0.00 0.00 -0.44 0.00 1.21 0.00 0.00 56.30 57.07 1bnp h ASN 28 Cb 0.00 0.00 0.18 0.00 -1.12 0.00 0.00 38.32 37.38 1bnp h ASN 28 CO 0.00 0.13 0.40 0.54 -1.29 0.00 0.00 177.43 177.22 1bnp s VAL 29 N -3.50 1.96 0.07 2.81 0.11 -1.26 -4.93 120.40 115.66 1bnp s VAL 29 Ca 0.02 0.00 -0.33 0.00 -2.93 0.00 0.00 61.98 58.74 1bnp s VAL 29 Cb 0.08 -2.96 -0.12 0.00 -1.53 0.00 0.00 36.38 31.86 1bnp s VAL 29 CO 0.62 0.00 1.77 -0.24 -3.33 0.00 0.00 175.10 173.92 1bnp n SER 30 N -3.92 3.53 -4.76 3.54 2.88 -1.26 -4.94 113.62 108.68 1bnp n SER 30 Ca 0.16 1.01 -0.33 0.00 -1.33 0.00 0.00 58.87 58.39 1bnp n SER 30 Cb 0.59 -1.45 0.06 0.00 -0.75 0.00 0.00 64.21 62.67 1bnp n SER 30 CO 0.00 0.00 0.00 -1.10 -1.23 0.00 0.00 175.04 172.71 1bnp s GLN 31 N 2.56 2.56 -0.30 -1.46 -1.52 -1.26 -4.23 119.66 116.02 1bnp s GLN 31 Ca 0.84 1.43 -0.02 0.00 -1.95 0.00 0.00 55.36 55.66 1bnp s GLN 31 Cb -0.62 -1.92 0.00 0.00 -0.22 0.00 0.00 33.01 30.26 1bnp s GLN 31 CO 0.42 -1.44 0.31 0.00 -0.25 0.00 0.00 175.29 174.33 1bnp n ALA 32 N -2.66 -2.27 -1.34 6.09 0.00 -1.26 -4.90 120.51 114.17 1bnp n ALA 32 Ca 0.11 0.16 -0.42 0.00 0.00 0.00 0.00 53.44 53.29 1bnp n ALA 32 Cb 0.52 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.97 1bnp n ALA 32 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.50 176.61 1bnp n ILE 33 N -1.07 0.93 0.00 0.00 2.08 -1.26 -4.77 119.36 115.27 1bnp n ILE 33 Ca 0.02 -0.50 0.00 0.00 0.56 0.00 0.00 62.75 62.83 1bnp n ILE 33 Cb 0.41 -0.14 0.00 0.00 -0.75 0.00 0.00 39.64 39.17 1bnp n ILE 33 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 1bnp n HIS 34 N -1.02 -0.02 -0.19 1.39 1.44 -1.26 -4.94 115.22 110.63 1bnp n HIS 34 Ca 0.11 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 55.82 1bnp n HIS 34 Cb 0.40 0.00 0.00 0.00 0.12 0.00 0.00 29.99 30.52 1bnp n HIS 34 CO 0.00 0.00 0.00 0.36 -2.81 0.00 0.00 176.34 173.89 1bnp n LYS 35 N -0.71 1.25 0.18 -1.40 -0.00 -1.26 -4.68 118.16 111.54 1bnp n LYS 35 Ca 0.00 -0.98 0.03 0.00 -0.00 0.00 0.00 58.31 57.35 1bnp n LYS 35 Cb 0.00 -0.91 0.35 0.00 -0.00 0.00 0.00 35.03 34.47 1bnp n LYS 35 CO 0.00 0.00 0.00 -0.92 0.00 0.00 0.00 177.40 176.48 1bnp h TYR 36 N 0.00 0.00 0.00 5.58 3.20 -1.92 -2.19 116.97 121.64 1bnp h TYR 36 Ca 0.00 0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.87 1bnp h TYR 36 Cb 0.41 0.00 0.00 0.00 1.54 0.00 0.00 36.73 38.68 1bnp h TYR 36 CO 0.00 0.39 0.00 -0.91 -1.64 0.00 0.00 178.16 176.00 1bnp h ASN 37 N 0.00 0.00 -0.83 -2.11 2.35 -2.00 -2.94 115.58 110.06 1bnp h ASN 37 Ca -0.00 0.00 0.10 0.00 -0.55 0.00 0.00 56.30 55.85 1bnp h ASN 37 Cb 0.71 0.00 -0.08 0.00 0.05 0.00 0.00 38.32 39.01 1bnp h ASN 37 CO 0.05 0.00 0.46 0.00 -1.65 0.00 0.00 177.43 176.29 1bnp h ALA 38 N 2.10 1.19 0.00 -0.83 0.00 -1.74 -1.02 119.26 118.96 1bnp h ALA 38 Ca 0.00 0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.95 1bnp h ALA 38 Cb 0.19 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 17.87 1bnp h ALA 38 CO 0.00 0.06 -0.51 0.66 0.00 0.00 0.00 179.25 179.47 1bnp n TYR 39 N -4.77 0.43 0.10 0.00 4.01 -1.11 -2.65 117.16 113.17 1bnp n TYR 39 Ca 0.14 0.12 -0.10 0.00 -0.16 0.00 0.00 57.90 57.91 1bnp n TYR 39 Cb 0.30 -0.58 -0.06 0.00 -0.31 0.00 0.00 39.34 38.69 1bnp n TYR 39 CO 0.00 0.00 0.00 -0.09 -0.46 0.00 0.00 176.86 176.31 1bnp h ARG 40 N 0.00 -0.32 -0.02 -0.72 9.65 -1.27 -2.32 114.38 119.37 1bnp h ARG 40 Ca 0.00 0.02 -0.13 0.00 -1.10 0.00 0.00 59.98 58.77 1bnp h ARG 40 Cb 0.67 0.07 -0.02 0.00 -1.39 0.00 0.00 29.97 29.31 1bnp h ARG 40 CO 0.00 -0.00 -0.61 0.87 2.80 0.00 0.00 179.97 183.03 1bnp h LYS 41 N -0.96 0.09 0.03 0.20 1.57 -1.61 -3.00 116.57 112.89 1bnp h LYS 41 Ca -0.03 -0.06 -0.00 0.00 -1.87 0.00 0.00 60.65 58.68 1bnp h LYS 41 Cb 0.47 0.01 0.00 0.00 0.08 0.00 0.00 32.23 32.79 1bnp h LYS 41 CO 0.06 0.67 -0.01 0.00 -0.57 0.00 0.00 179.45 179.59 1bnp h ALA 42 N 1.32 -0.04 0.00 3.86 0.00 -1.57 -2.18 119.26 120.64 1bnp h ALA 42 Ca -0.01 -0.05 -0.02 0.00 0.00 0.00 0.00 54.91 54.83 1bnp h ALA 42 Cb 1.09 0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.89 1bnp h ALA 42 CO 0.08 -0.48 -0.10 0.00 0.00 0.00 0.00 179.25 178.76 1bnp h ALA 43 N 0.84 1.69 0.00 0.00 0.00 -1.41 -1.57 119.26 118.81 1bnp h ALA 43 Ca -0.00 -0.09 -0.07 0.00 0.00 0.00 0.00 54.91 54.75 1bnp h ALA 43 Cb 0.11 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 17.88 1bnp h ALA 43 CO 0.01 0.12 -0.31 0.77 0.00 0.00 0.00 179.25 179.84 1bnp h SER 44 N 0.00 0.00 0.72 0.00 0.02 -1.26 -2.46 113.55 110.56 1bnp h SER 44 Ca -0.00 0.00 -0.16 0.00 -0.84 0.00 0.00 61.79 60.79 1bnp h SER 44 Cb 0.19 0.00 -0.03 0.00 0.14 0.00 0.00 62.40 62.70 1bnp h SER 44 CO 0.01 0.31 -1.39 0.55 -1.14 0.00 0.00 176.83 175.17 1bnp n VAL 45 N -3.39 1.14 -0.03 2.27 3.14 -0.63 -4.10 118.33 116.73 1bnp n VAL 45 Ca 0.00 -0.68 -0.21 0.00 -2.96 0.00 0.00 64.34 60.50 1bnp n VAL 45 Cb 0.51 -0.71 -0.13 0.00 -1.06 0.00 0.00 33.84 32.45 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 1.05 -0.62 1.55 1.08 -1.45 -3.20 117.51 115.93 1bnp h ILE 46 Ca -0.15 -2.33 0.12 0.00 -0.39 0.00 0.00 64.86 62.11 1bnp h ILE 46 Cb 1.54 2.64 -0.10 0.00 -3.07 0.00 0.00 36.82 37.84 1bnp h ILE 46 CO 0.04 0.60 0.09 0.00 -0.69 0.00 0.00 178.15 178.19 1bnp h ALA 47 N -0.15 0.70 -0.15 1.87 0.00 -1.64 0.34 119.26 120.22 1bnp h ALA 47 Ca -0.29 0.16 -0.10 0.00 0.00 0.00 0.00 54.91 54.68 1bnp h ALA 47 Cb 1.58 0.24 -0.01 0.00 0.00 0.00 0.00 17.79 19.60 1bnp h ALA 47 CO -0.02 -0.35 -0.34 1.57 0.00 0.00 0.00 179.25 180.12 1bnp h LYS 48 N 0.20 0.31 -7.35 0.00 5.09 -1.74 -3.43 116.57 109.66 1bnp h LYS 48 Ca 0.33 -0.13 -0.50 0.00 0.09 0.00 0.00 60.65 60.44 1bnp h LYS 48 Cb 0.52 -0.01 0.12 0.00 0.10 0.00 0.00 32.23 32.95 1bnp h LYS 48 CO -0.46 0.62 0.33 -0.47 -2.09 0.00 0.00 179.45 177.37 1bnp s TYR 49 N -4.30 2.76 -0.75 0.07 5.04 0.12 -4.87 117.35 115.42 1bnp s TYR 49 Ca -0.05 1.38 0.06 0.00 -2.44 0.00 0.00 57.07 56.02 1bnp s TYR 49 Cb 0.14 -3.03 0.35 0.00 0.35 0.00 0.00 41.96 39.77 1bnp s TYR 49 CO 0.77 -1.71 1.20 -2.30 -1.34 0.00 0.00 175.55 172.17 1bnp n PRO 50 N -3.44 0.04 -3.58 4.97 -0.02 -1.26 -4.87 135.00 126.85 1bnp n PRO 50 Ca 0.08 0.54 -0.21 0.00 -2.02 0.00 0.00 63.50 61.89 1bnp n PRO 50 Cb 0.54 -1.64 0.01 0.00 -0.02 0.00 0.00 33.50 32.39 1bnp n PRO 50 CO 0.00 0.00 0.00 -2.39 1.98 0.00 0.00 175.50 175.09 1bnp n HIS 51 N -1.73 -2.36 -3.16 6.00 1.44 -1.22 -4.99 115.22 109.20 1bnp n HIS 51 Ca -0.00 0.95 0.05 0.00 -2.01 0.00 0.00 57.72 56.71 1bnp n HIS 51 Cb 0.01 -2.96 -0.03 0.00 0.12 0.00 0.00 29.99 27.14 1bnp n HIS 51 CO 0.00 0.00 0.00 0.21 -2.81 0.00 0.00 176.34 173.74 1bnp s LYS 52 N -4.18 0.03 -0.13 -1.40 2.20 -1.26 -4.51 119.74 110.50 1bnp s LYS 52 Ca 0.06 0.07 -0.18 0.00 -0.36 0.00 0.00 55.97 55.56 1bnp s LYS 52 Cb -0.01 0.04 0.04 0.00 -1.51 0.00 0.00 37.83 36.40 1bnp s LYS 52 CO 0.86 -0.02 0.47 0.96 -0.36 0.00 0.00 175.35 177.26 1bnp s ILE 53 N 2.55 0.01 0.18 5.43 -4.36 -1.26 -5.04 121.20 118.72 1bnp s ILE 53 Ca -0.05 -0.09 0.11 0.00 -0.26 0.00 0.00 60.65 60.35 1bnp s ILE 53 Cb -0.05 -0.70 -0.06 0.00 1.25 0.00 0.00 42.46 42.90 1bnp s ILE 53 CO -0.11 -0.05 1.50 0.07 0.24 0.00 0.00 174.94 176.59 1bnp h LYS 54 N 4.82 0.00 0.00 0.37 5.09 -2.00 -3.46 116.57 121.39 1bnp h LYS 54 Ca -0.28 0.00 -0.01 0.00 0.09 0.00 0.00 60.65 60.45 1bnp h LYS 54 Cb 1.17 0.00 -0.00 0.00 0.10 0.00 0.00 32.23 33.50 1bnp h LYS 54 CO 0.26 0.71 -0.01 -1.13 -2.09 0.00 0.00 179.45 177.20 1bnp n SER 55 N -3.58 0.69 -0.58 7.07 3.41 -1.26 -4.95 113.62 114.42 1bnp n SER 55 Ca -0.00 -1.05 0.06 0.00 -0.26 0.00 0.00 58.87 57.62 1bnp n SER 55 Cb 0.72 -0.00 0.15 0.00 -0.26 0.00 0.00 64.21 64.82 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 4.82 4.20 0.08 5.00 0.00 -1.26 -4.70 105.19 113.34 1bnp n GLY 56 Ca 0.00 -1.12 -0.06 0.00 0.00 0.00 0.00 46.02 44.84 1bnp n GLY 56 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1bnp n ALA 57 N -0.90 1.61 0.16 4.61 0.00 -1.26 -3.86 120.51 120.86 1bnp n ALA 57 Ca 0.15 -0.71 0.03 0.00 0.00 0.00 0.00 53.44 52.91 1bnp n ALA 57 Cb 0.74 -0.88 0.20 0.00 0.00 0.00 0.00 19.45 19.51 1bnp n ALA 57 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 1bnp h GLU 58 N 0.00 0.00 0.00 0.00 4.39 -2.00 -2.91 114.58 114.06 1bnp h GLU 58 Ca -0.25 0.00 -0.03 0.00 0.34 0.00 0.00 59.36 59.42 1bnp h GLU 58 Cb 1.90 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 30.55 1bnp h GLU 58 CO 0.07 0.50 -0.14 0.00 -1.16 0.00 0.00 179.01 178.28 1bnp h ALA 59 N 1.50 0.93 0.00 3.43 0.00 -1.89 -3.03 119.26 120.21 1bnp h ALA 59 Ca -0.00 -0.13 -0.19 0.00 0.00 0.00 0.00 54.91 54.59 1bnp h ALA 59 Cb 1.12 -0.02 -0.03 0.00 0.00 0.00 0.00 17.79 18.85 1bnp h ALA 59 CO 0.06 0.18 -1.38 1.57 0.00 0.00 0.00 179.25 179.68 1bnp h LYS 60 N 0.00 0.00 0.04 0.00 2.10 -1.64 -3.34 116.57 113.73 1bnp h LYS 60 Ca -0.00 0.00 -0.23 0.00 -2.00 0.00 0.00 60.65 58.42 1bnp h LYS 60 Cb 0.96 0.00 -0.00 0.00 -0.90 0.00 0.00 32.23 32.29 1bnp h LYS 60 CO 0.02 0.37 -1.00 1.57 -2.00 0.00 0.00 179.45 178.40 1bnp h LYS 61 N 0.00 0.30 -6.90 0.07 2.10 -1.52 -3.41 116.57 107.21 1bnp h LYS 61 Ca -0.17 -0.37 -0.51 0.00 -2.00 0.00 0.00 60.65 57.60 1bnp h LYS 61 Cb 1.66 0.12 0.05 0.00 -0.90 0.00 0.00 32.23 33.16 1bnp h LYS 61 CO 0.06 1.09 0.56 -0.51 -2.00 0.00 0.00 179.45 178.64 1bnp s LEU 62 N -7.46 4.35 0.79 7.07 1.43 -1.15 -4.99 118.68 118.73 1bnp s LEU 62 Ca -0.04 2.49 -0.13 0.00 -1.03 0.00 0.00 54.13 55.42 1bnp s LEU 62 Cb 0.09 -3.80 0.08 0.00 0.03 0.00 0.00 46.19 42.58 1bnp s LEU 62 CO 0.86 -0.54 1.16 -2.16 0.23 0.00 0.00 176.35 175.89 1bnp s PRO 63 N -1.95 1.82 0.00 1.29 0.04 -1.26 -3.42 135.00 131.52 1bnp s PRO 63 Ca 0.52 1.57 0.00 0.00 0.04 0.00 0.00 61.00 63.12 1bnp s PRO 63 Cb -0.35 -1.82 0.00 0.00 0.04 0.00 0.00 34.50 32.37 1bnp s PRO 63 CO 0.45 -2.04 0.00 0.41 0.04 0.00 0.00 177.00 175.87 1bnp n GLY 64 N 0.00 2.21 3.68 0.56 0.00 -1.26 -4.64 105.19 105.74 1bnp n GLY 64 Ca 0.12 -0.38 -0.35 0.00 0.00 0.00 0.00 46.02 45.41 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 4.57 0.00 1.61 1.01 -1.22 -4.21 120.40 122.16 1bnp s VAL 65 Ca 0.00 -0.13 0.00 0.00 0.00 0.00 0.00 61.98 61.85 1bnp s VAL 65 Cb 0.00 -2.98 0.00 0.00 0.00 0.00 0.00 36.38 33.40 1bnp s VAL 65 CO 0.00 0.55 0.00 0.61 0.00 0.00 0.00 175.10 176.26 1bnp n GLY 66 N 2.67 0.50 3.16 4.51 0.00 -1.25 -4.19 105.19 110.60 1bnp n GLY 66 Ca -0.18 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.40 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 0.00 4.72 -0.27 2.61 -1.04 -1.26 -4.56 114.28 114.48 1bnp n THR 67 Ca 0.00 -5.24 0.00 0.00 -2.04 0.00 0.00 64.05 56.77 1bnp n THR 67 Cb 0.00 -2.35 0.00 0.00 -1.82 0.00 0.00 70.33 66.16 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 3.04 0.00 0.00 -2.82 4.81 -1.26 -4.79 118.16 117.15 1bnp n LYS 68 Ca 0.30 0.00 -0.03 0.00 -0.87 0.00 0.00 58.31 57.71 1bnp n LYS 68 Cb 0.37 -2.17 -0.11 0.00 0.02 0.00 0.00 35.03 33.15 1bnp n LYS 68 CO 0.00 0.00 0.00 -0.89 1.17 0.00 0.00 177.40 177.68 1bnp n ILE 69 N -2.00 1.29 -0.15 3.15 5.41 -1.26 -4.04 119.36 121.77 1bnp n ILE 69 Ca 0.00 -0.73 0.04 0.00 1.00 0.00 0.00 62.75 63.06 1bnp n ILE 69 Cb 0.00 -0.78 0.35 0.00 -0.71 0.00 0.00 39.64 38.49 1bnp n ILE 69 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1bnp h ALA 70 N 1.28 1.65 -0.21 -1.39 0.00 -1.83 -0.67 119.26 118.08 1bnp h ALA 70 Ca -0.23 -0.03 -0.05 0.00 0.00 0.00 0.00 54.91 54.60 1bnp h ALA 70 Cb 1.75 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 19.31 1bnp h ALA 70 CO 0.05 0.28 -0.10 1.05 0.00 0.00 0.00 179.25 180.53 1bnp h GLU 71 N 0.77 0.34 -0.03 0.00 -0.00 -1.90 -1.78 114.58 111.98 1bnp h GLU 71 Ca 0.26 -0.08 -0.09 0.00 -0.00 0.00 0.00 59.36 59.45 1bnp h GLU 71 Cb 0.09 -0.05 -0.01 0.00 -0.00 0.00 0.00 28.75 28.78 1bnp h GLU 71 CO -0.07 0.45 -0.42 -0.22 -0.00 0.00 0.00 179.01 178.75 1bnp h LYS 72 N 0.32 0.07 -0.08 1.06 3.64 -1.31 -2.36 116.57 117.92 1bnp h LYS 72 Ca 0.07 -0.03 -0.03 0.00 -1.27 0.00 0.00 60.65 59.38 1bnp h LYS 72 Cb 0.38 -0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 32.19 1bnp h LYS 72 CO 0.02 0.48 -0.07 0.82 -2.27 0.00 0.00 179.45 178.43 1bnp h ILE 73 N 0.06 1.36 0.00 2.00 1.08 -1.05 -2.50 117.51 118.45 1bnp h ILE 73 Ca 0.00 -1.19 0.00 0.00 -0.39 0.00 0.00 64.86 63.28 1bnp h ILE 73 Cb 0.77 1.97 0.00 0.00 -3.07 0.00 0.00 36.82 36.49 1bnp h ILE 73 CO 0.06 0.33 0.00 -0.78 -0.69 0.00 0.00 178.15 177.07 1bnp h ASP 74 N -0.23 0.00 0.38 1.72 1.82 -1.30 -1.84 116.42 116.98 1bnp h ASP 74 Ca 0.01 0.00 -0.29 0.00 -0.39 0.00 0.00 57.03 56.36 1bnp h ASP 74 Cb 0.56 0.00 0.02 0.00 0.68 0.00 0.00 39.33 40.59 1bnp h ASP 74 CO 0.02 0.00 -1.27 -0.08 -1.61 0.00 0.00 179.24 176.30 1bnp h GLU 75 N 0.00 0.45 -0.82 0.28 4.57 -0.98 0.19 114.58 118.26 1bnp h GLU 75 Ca 0.00 -0.67 0.00 0.00 -1.18 0.00 0.00 59.36 57.51 1bnp h GLU 75 Cb 0.09 0.24 -0.04 0.00 -0.16 0.00 0.00 28.75 28.88 1bnp h GLU 75 CO 0.00 1.30 0.51 0.74 -1.18 0.00 0.00 179.01 180.39 1bnp h PHE 76 N 0.16 1.06 0.00 0.92 0.04 -1.11 -2.44 116.94 115.56 1bnp h PHE 76 Ca -0.17 0.01 0.00 0.00 2.80 0.00 0.00 57.97 60.61 1bnp h PHE 76 Cb 1.96 -0.35 0.00 0.00 2.20 0.00 0.00 35.95 39.76 1bnp h PHE 76 CO 0.09 0.69 -1.13 1.28 -0.60 0.00 0.00 178.31 178.64 1bnp n LEU 77 N -4.39 0.70 -1.97 1.54 4.77 -1.19 -4.09 117.00 112.37 1bnp n LEU 77 Ca 0.09 0.25 -0.21 0.00 -0.03 0.00 0.00 56.01 56.11 1bnp n LEU 77 Cb 0.05 -0.06 0.06 0.00 -2.33 0.00 0.00 43.42 41.14 1bnp n LEU 77 CO 0.37 -0.14 1.23 0.00 -1.33 0.00 0.00 177.39 177.53 1bnp n ALA 78 N -2.14 5.28 0.12 -1.18 0.00 0.05 -4.38 120.51 118.26 1bnp n ALA 78 Ca -0.00 -2.10 -0.01 0.00 0.00 0.00 0.00 53.44 51.33 1bnp n ALA 78 Cb 0.54 -1.45 0.00 0.00 0.00 0.00 0.00 19.45 18.54 1bnp n ALA 78 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1bnp h THR 79 N 0.93 1.18 0.00 0.00 1.03 -1.70 -3.47 112.91 110.88 1bnp h THR 79 Ca 0.38 -2.59 0.00 0.00 -0.01 0.00 0.00 66.41 64.19 1bnp h THR 79 Cb 1.11 2.53 0.00 0.00 -1.07 0.00 0.00 68.15 70.72 1bnp h THR 79 CO 0.94 0.66 0.00 0.61 -0.01 0.00 0.00 175.52 177.72 1bnp n GLY 80 N 1.17 0.77 0.11 2.99 0.00 -1.26 -5.07 105.19 103.90 1bnp n GLY 80 Ca 0.01 -0.48 -0.14 0.00 0.00 0.00 0.00 46.02 45.41 1bnp n GLY 80 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1bnp n LYS 81 N 0.00 0.72 -2.94 1.61 4.76 -1.26 -4.94 118.16 116.11 1bnp n LYS 81 Ca 0.00 0.07 -0.38 0.00 -2.87 0.00 0.00 58.31 55.13 1bnp n LYS 81 Cb 0.00 -1.50 -0.06 0.00 -1.84 0.00 0.00 35.03 31.63 1bnp n LYS 81 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 1bnp s LEU 82 N -5.98 4.49 -0.30 -0.35 2.01 -1.26 -5.04 118.68 112.25 1bnp s LEU 82 Ca -0.23 1.67 -0.16 0.00 0.01 0.00 0.00 54.13 55.42 1bnp s LEU 82 Cb 0.07 -3.55 0.18 0.00 0.01 0.00 0.00 46.19 42.91 1bnp s LEU 82 CO 0.67 0.11 1.13 -0.60 1.01 0.00 0.00 176.35 178.67 1bnp s ARG 83 N -1.53 0.16 -0.12 1.70 3.52 -1.26 -5.09 118.95 116.32 1bnp s ARG 83 Ca 0.41 0.35 -0.09 0.00 -0.13 0.00 0.00 55.73 56.28 1bnp s ARG 83 Cb -0.21 0.21 0.03 0.00 -1.56 0.00 0.00 34.95 33.42 1bnp s ARG 83 CO 0.25 -0.09 0.17 1.63 -0.81 0.00 0.00 175.30 176.45 1bnp n LYS 84 N 5.00 -4.89 0.08 5.12 5.02 -1.26 -4.96 118.16 122.28 1bnp n LYS 84 Ca -0.08 3.62 -0.04 0.00 -2.02 0.00 0.00 58.31 59.79 1bnp n LYS 84 Cb 0.54 -5.02 -0.02 0.00 -0.02 0.00 0.00 35.03 30.51 1bnp n LYS 84 CO 0.00 0.00 0.00 -0.07 -0.52 0.00 0.00 177.40 176.81 1bnp h LEU 85 N 4.20 -0.24 -2.05 -0.35 4.07 -2.03 -3.49 115.31 115.42 1bnp h LEU 85 Ca -0.39 0.01 0.01 0.00 0.08 0.00 0.00 57.88 57.58 1bnp h LEU 85 Cb 0.89 0.06 -0.11 0.00 1.08 0.00 0.00 40.66 42.58 1bnp h LEU 85 CO 0.01 0.15 -1.50 1.21 -1.08 0.00 0.00 178.44 177.23 1bnp n GLU 86 N -4.51 -4.41 0.00 1.13 2.13 -1.26 -5.29 120.64 108.43 1bnp n GLU 86 Ca -0.03 3.35 0.08 0.00 0.66 0.00 0.00 57.16 61.21 1bnp n GLU 86 Cb 0.11 -5.08 0.07 0.00 0.27 0.00 0.00 31.44 26.80 1bnp n GLU 86 CO 0.00 0.00 0.00 1.63 -0.41 0.00 0.00 177.13 178.35