#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2avy s LEU 2 N 0.00 -0.42 0.11 2.46 0.20 -1.26 -4.90 118.68 114.86 2avy s LEU 2 Ca 0.00 0.42 -0.23 0.00 0.69 0.00 0.00 54.13 55.01 2avy s LEU 2 Cb 0.00 2.01 -0.07 0.00 -0.43 0.00 0.00 46.19 47.70 2avy s LEU 2 CO 0.00 -0.42 0.70 -0.94 -0.29 0.00 0.00 176.35 175.40 2avy s SER 3 N -1.27 7.24 0.20 3.68 1.04 -1.26 -4.92 113.70 118.41 2avy s SER 3 Ca -0.03 1.47 -0.10 0.00 0.48 0.00 0.00 55.95 57.77 2avy s SER 3 Cb -0.00 -2.45 0.25 0.00 0.10 0.00 0.00 66.02 63.92 2avy s SER 3 CO 0.02 0.19 1.76 0.71 0.98 0.00 0.00 173.24 176.90 2avy h THR 4 N 3.57 0.82 0.00 2.02 1.35 -2.01 0.26 112.91 118.91 2avy h THR 4 Ca -0.47 -0.15 0.00 0.00 -0.55 0.00 0.00 66.41 65.24 2avy h THR 4 Cb 1.21 0.34 0.00 0.00 -1.73 0.00 0.00 68.15 67.97 2avy h THR 4 CO 0.66 0.08 0.02 -0.62 -0.25 0.00 0.00 175.52 175.41 2avy n GLU 5 N -4.96 0.00 -0.07 4.72 1.02 -1.26 -0.76 120.64 119.33 2avy n GLU 5 Ca 0.08 0.40 -0.15 0.00 -0.02 0.00 0.00 57.16 57.47 2avy n GLU 5 Cb 0.24 -1.52 -0.05 0.00 -0.02 0.00 0.00 31.44 30.09 2avy n GLU 5 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2avy n ALA 6 N -1.40 2.05 0.26 0.62 0.00 0.50 -4.10 120.51 118.44 2avy n ALA 6 Ca 0.00 -0.57 -0.16 0.00 0.00 0.00 0.00 53.44 52.71 2avy n ALA 6 Cb 0.02 0.30 -0.08 0.00 0.00 0.00 0.00 19.45 19.69 2avy n ALA 6 CO 0.00 0.00 0.00 1.79 0.00 0.00 0.00 177.50 179.29 2avy h THR 7 N -0.52 0.49 0.00 0.00 1.35 -0.31 0.11 112.91 114.03 2avy h THR 7 Ca -0.35 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.51 2avy h THR 7 Cb 1.27 0.49 0.00 0.00 -1.73 0.00 0.00 68.15 68.18 2avy h THR 7 CO -0.21 0.00 0.00 0.00 -0.25 0.00 0.00 175.52 175.06 2avy n ALA 8 N -2.42 1.54 -0.04 6.62 0.00 0.06 -2.52 120.51 123.76 2avy n ALA 8 Ca -0.11 0.00 -0.00 0.00 0.00 0.00 0.00 53.44 53.33 2avy n ALA 8 Cb 0.28 -1.25 -0.00 0.00 0.00 0.00 0.00 19.45 18.49 2avy n ALA 8 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.50 177.28 2avy h LYS 9 N 0.00 0.00 -0.95 0.00 3.64 -1.29 -3.37 116.57 114.61 2avy h LYS 9 Ca 0.00 0.00 0.12 0.00 -1.27 0.00 0.00 60.65 59.50 2avy h LYS 9 Cb 0.23 0.00 -0.08 0.00 -0.41 0.00 0.00 32.23 31.98 2avy h LYS 9 CO 0.00 0.00 0.60 0.97 -2.27 0.00 0.00 179.45 178.75 2avy h ILE 10 N -0.69 0.90 -0.97 2.00 2.10 -0.80 -1.54 117.51 118.50 2avy h ILE 10 Ca 0.00 -0.30 0.23 0.00 1.08 0.00 0.00 64.86 65.87 2avy h ILE 10 Cb 0.03 -0.06 -0.08 0.00 -1.09 0.00 0.00 36.82 35.63 2avy h ILE 10 CO 0.00 0.16 0.63 1.62 -1.08 0.00 0.00 178.15 179.48 2avy h VAL 11 N 0.88 0.62 -0.18 2.19 3.04 -1.66 0.52 116.25 121.65 2avy h VAL 11 Ca 0.47 -0.14 0.00 0.00 -1.01 0.00 0.00 66.70 66.02 2avy h VAL 11 Cb 0.56 0.18 0.00 0.00 -2.01 0.00 0.00 31.29 30.01 2avy h VAL 11 CO -0.23 0.07 0.00 -1.20 -1.01 0.00 0.00 177.57 175.20 2avy n SER 12 N -4.55 2.28 0.00 3.17 7.64 -0.58 -2.26 113.62 119.33 2avy n SER 12 Ca 0.22 -2.25 0.00 0.00 1.01 0.00 0.00 58.87 57.85 2avy n SER 12 Cb 0.77 -0.50 0.00 0.00 -1.01 0.00 0.00 64.21 63.47 2avy n SER 12 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 2avy n GLU 13 N 0.19 1.54 -0.00 1.43 1.02 0.18 -4.78 120.64 120.22 2avy n GLU 13 Ca 0.08 0.00 0.03 0.00 -0.02 0.00 0.00 57.16 57.25 2avy n GLU 13 Cb 0.49 -0.95 -0.04 0.00 -0.02 0.00 0.00 31.44 30.92 2avy n GLU 13 CO 0.00 0.00 0.00 1.19 1.18 0.00 0.00 177.13 179.50 2avy n PHE 14 N -1.52 0.00 -1.88 -0.32 3.01 -1.13 -5.01 117.46 110.61 2avy n PHE 14 Ca 0.00 0.00 -0.42 0.00 1.01 0.00 0.00 57.45 58.04 2avy n PHE 14 Cb 0.14 -0.10 -0.03 0.00 -0.01 0.00 0.00 39.48 39.49 2avy n PHE 14 CO 0.00 0.00 0.00 0.20 1.01 0.00 0.00 176.76 177.97 2avy s GLY 15 N -2.40 1.49 0.00 1.37 0.00 -0.96 -4.50 107.32 102.32 2avy s GLY 15 Ca -0.01 1.37 0.09 0.00 0.00 0.00 0.00 44.72 46.17 2avy s GLY 15 CO 0.21 2.77 1.01 0.54 0.00 0.00 0.00 173.10 177.63 2avy n ARG 16 N 4.50 0.53 0.00 2.90 1.74 -1.26 -4.74 116.66 120.32 2avy n ARG 16 Ca 0.15 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.23 2avy n ARG 16 Cb 0.38 -1.27 0.00 0.00 -1.02 0.00 0.00 32.46 30.55 2avy n ARG 16 CO 0.00 0.00 0.00 -0.40 -1.52 0.00 0.00 177.63 175.71 2avy n ASP 17 N -0.77 1.76 -4.11 0.55 5.68 -1.26 -5.16 116.55 113.25 2avy n ASP 17 Ca 0.07 0.00 -0.27 0.00 -0.50 0.00 0.00 54.79 54.09 2avy n ASP 17 Cb 0.03 0.00 -0.16 0.00 -1.14 0.00 0.00 41.12 39.85 2avy n ASP 17 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 2avy s ALA 18 N -1.20 1.56 -1.62 2.12 0.00 -1.26 -4.75 121.76 116.61 2avy s ALA 18 Ca 0.00 -0.64 -0.02 0.00 0.00 0.00 0.00 51.96 51.30 2avy s ALA 18 Cb 0.00 -0.60 0.00 0.00 0.00 0.00 0.00 23.12 22.53 2avy s ALA 18 CO 0.00 0.22 0.19 -1.71 0.00 0.00 0.00 175.76 174.46 2avy n ASN 19 N 3.49 -5.67 -3.40 0.00 5.15 -1.26 -4.88 115.26 108.69 2avy n ASN 19 Ca -0.20 -0.08 -0.39 0.00 -0.60 0.00 0.00 54.58 53.30 2avy n ASN 19 Cb 0.52 -4.68 -0.01 0.00 -0.53 0.00 0.00 39.78 35.08 2avy n ASN 19 CO 0.00 0.00 0.00 -0.90 1.40 0.00 0.00 177.26 177.76 2avy n ASP 20 N -2.15 8.10 0.00 1.20 5.68 -1.26 -4.72 116.55 123.40 2avy n ASP 20 Ca -0.19 -3.04 0.00 0.00 -0.50 0.00 0.00 54.79 51.06 2avy n ASP 20 Cb 0.65 -1.39 0.00 0.00 -1.14 0.00 0.00 41.12 39.24 2avy n ASP 20 CO 0.00 0.00 0.00 0.35 -1.33 0.00 0.00 177.20 176.22 2avy n THR 21 N 2.01 0.82 -0.08 2.12 -2.24 -1.26 -2.12 114.28 113.54 2avy n THR 21 Ca 0.65 0.23 -0.22 0.00 -2.27 0.00 0.00 64.05 62.44 2avy n THR 21 Cb 0.26 -1.23 -0.12 0.00 -2.10 0.00 0.00 70.33 67.14 2avy n THR 21 CO 0.00 0.00 0.00 1.23 -0.57 0.00 0.00 175.07 175.73 2avy h GLY 22 N 0.00 0.06 -2.91 3.38 0.00 -2.00 -3.40 103.07 98.20 2avy h GLY 22 Ca 0.00 -0.16 -0.38 0.00 0.00 0.00 0.00 47.33 46.79 2avy h GLY 22 CO 0.00 0.14 0.12 -1.26 0.00 0.00 0.00 176.54 175.53 2avy n SER 23 N -4.26 0.16 -0.06 0.19 2.88 -0.90 -4.43 113.62 107.21 2avy n SER 23 Ca -0.31 0.54 -0.07 0.00 -1.33 0.00 0.00 58.87 57.69 2avy n SER 23 Cb 0.75 -0.42 -0.01 0.00 -0.75 0.00 0.00 64.21 63.77 2avy n SER 23 CO 0.00 0.00 0.00 0.71 -1.23 0.00 0.00 175.04 174.52 2avy h THR 24 N 1.67 0.68 -1.04 2.46 1.35 -1.93 0.15 112.91 116.25 2avy h THR 24 Ca -0.23 0.00 0.34 0.00 -0.55 0.00 0.00 66.41 65.97 2avy h THR 24 Cb 0.65 0.68 -0.15 0.00 -1.73 0.00 0.00 68.15 67.61 2avy h THR 24 CO 0.35 0.00 0.61 -0.08 -0.25 0.00 0.00 175.52 176.14 2avy h GLU 25 N -0.04 0.28 0.00 4.72 4.57 -1.88 0.28 114.58 122.50 2avy h GLU 25 Ca 0.13 -0.02 0.00 0.00 -1.18 0.00 0.00 59.36 58.29 2avy h GLU 25 Cb 0.24 -0.06 0.00 0.00 -0.16 0.00 0.00 28.75 28.77 2avy h GLU 25 CO -0.28 0.18 0.00 0.28 -1.18 0.00 0.00 179.01 178.01 2avy n VAL 26 N -5.00 0.00 -0.38 0.32 0.31 0.14 -3.21 118.33 110.51 2avy n VAL 26 Ca 0.32 0.43 -0.01 0.00 -0.01 0.00 0.00 64.34 65.07 2avy n VAL 26 Cb 1.05 -1.12 0.04 0.00 -0.91 0.00 0.00 33.84 32.89 2avy n VAL 26 CO 0.00 0.00 0.00 1.67 -1.32 0.00 0.00 176.83 177.18 2avy n GLN 27 N -1.48 -0.24 -0.04 5.55 7.27 0.29 -0.38 117.38 128.36 2avy n GLN 27 Ca 0.00 1.52 -0.10 0.00 0.07 0.00 0.00 57.00 58.49 2avy n GLN 27 Cb 0.00 -2.26 -0.04 0.00 2.41 0.00 0.00 30.24 30.35 2avy n GLN 27 CO 0.00 0.00 0.00 0.28 0.07 0.00 0.00 177.06 177.41 2avy h VAL 28 N 0.00 0.24 -1.00 1.69 2.07 -0.63 -0.85 116.25 117.76 2avy h VAL 28 Ca 0.34 0.00 0.03 0.00 0.82 0.00 0.00 66.70 67.89 2avy h VAL 28 Cb 0.59 0.24 -0.06 0.00 -1.52 0.00 0.00 31.29 30.54 2avy h VAL 28 CO -0.98 0.00 0.66 0.00 0.02 0.00 0.00 177.57 177.27 2avy h ALA 29 N 0.45 1.31 -0.12 1.67 0.00 -0.91 -0.81 119.26 120.85 2avy h ALA 29 Ca 0.11 -0.06 0.03 0.00 0.00 0.00 0.00 54.91 55.00 2avy h ALA 29 Cb 0.56 -0.38 -0.00 0.00 0.00 0.00 0.00 17.79 17.97 2avy h ALA 29 CO -0.42 0.59 0.11 1.25 0.00 0.00 0.00 179.25 180.78 2avy h LEU 30 N 1.30 0.00 -0.00 0.00 5.85 0.64 -2.14 115.31 120.95 2avy h LEU 30 Ca 0.39 0.00 -0.22 0.00 0.84 0.00 0.00 57.88 58.88 2avy h LEU 30 Cb -0.06 0.00 0.02 0.00 0.37 0.00 0.00 40.66 40.99 2avy h LEU 30 CO -0.11 0.00 -0.87 -0.07 -0.34 0.00 0.00 178.44 177.05 2avy h LEU 31 N 0.00 0.77 -0.69 2.25 -0.00 -0.13 -3.30 115.31 114.22 2avy h LEU 31 Ca 0.06 -0.74 0.10 0.00 -0.00 0.00 0.00 57.88 57.29 2avy h LEU 31 Cb 0.28 -0.24 -0.07 0.00 -0.00 0.00 0.00 40.66 40.63 2avy h LEU 31 CO -0.00 1.42 0.33 0.74 -0.00 0.00 0.00 178.44 180.92 2avy h THR 32 N 0.21 0.82 0.13 0.22 2.02 -1.24 -1.83 112.91 113.24 2avy h THR 32 Ca -0.11 -0.19 -0.00 0.00 0.77 0.00 0.00 66.41 66.88 2avy h THR 32 Cb 1.55 0.22 -0.01 0.00 -1.74 0.00 0.00 68.15 68.17 2avy h THR 32 CO 0.17 0.10 -0.14 0.00 0.37 0.00 0.00 175.52 176.02 2avy h ALA 33 N 1.44 -0.85 -0.17 6.16 0.00 -1.63 0.47 119.26 124.68 2avy h ALA 33 Ca 0.35 -0.05 0.05 0.00 0.00 0.00 0.00 54.91 55.26 2avy h ALA 33 Cb 0.39 0.40 -0.01 0.00 0.00 0.00 0.00 17.79 18.57 2avy h ALA 33 CO -0.29 -0.86 0.44 0.37 0.00 0.00 0.00 179.25 178.91 2avy h GLN 34 N -0.27 0.00 0.00 0.00 4.15 -1.61 0.22 115.11 117.60 2avy h GLN 34 Ca -0.02 0.00 -0.00 0.00 0.77 0.00 0.00 58.65 59.40 2avy h GLN 34 Cb 0.24 0.00 -0.00 0.00 0.21 0.00 0.00 27.48 27.93 2avy h GLN 34 CO -0.02 0.00 -0.04 0.82 -1.93 0.00 0.00 178.83 177.66 2avy h ILE 35 N 0.00 0.60 -0.77 2.39 2.04 -0.43 -2.92 117.51 118.42 2avy h ILE 35 Ca 0.08 -1.46 0.04 0.00 1.00 0.00 0.00 64.86 64.53 2avy h ILE 35 Cb 0.95 1.14 -0.05 0.00 -0.74 0.00 0.00 36.82 38.12 2avy h ILE 35 CO -0.00 0.20 0.47 0.78 0.00 0.00 0.00 178.15 179.61 2avy h ASN 36 N -1.00 0.76 -0.72 1.72 -0.26 0.10 -1.76 115.58 114.43 2avy h ASN 36 Ca -0.01 0.01 -0.01 0.00 -0.56 0.00 0.00 56.30 55.73 2avy h ASN 36 Cb 0.37 -0.15 -0.04 0.00 -1.06 0.00 0.00 38.32 37.44 2avy h ASN 36 CO -0.00 0.51 0.40 -0.74 -1.06 0.00 0.00 177.43 176.53 2avy h HIS 37 N 0.90 0.99 0.00 1.19 2.76 -0.76 -2.44 115.15 117.79 2avy h HIS 37 Ca 0.32 -0.02 -0.10 0.00 -2.20 0.00 0.00 60.37 58.38 2avy h HIS 37 Cb 0.08 -0.32 -0.01 0.00 1.55 0.00 0.00 27.41 28.71 2avy h HIS 37 CO -0.04 0.69 -0.46 -0.07 -1.30 0.00 0.00 177.93 176.75 2avy h LEU 38 N 1.02 0.00 -1.90 0.26 3.38 -1.16 -3.08 115.31 113.83 2avy h LEU 38 Ca 0.26 0.00 0.10 0.00 0.09 0.00 0.00 57.88 58.33 2avy h LEU 38 Cb 0.03 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.76 2avy h LEU 38 CO -0.04 0.46 0.29 -0.61 0.09 0.00 0.00 178.44 178.63 2avy h GLN 39 N 0.00 0.11 0.00 1.13 4.15 -0.83 0.53 115.11 120.21 2avy h GLN 39 Ca -0.00 -0.01 -0.16 0.00 0.77 0.00 0.00 58.65 59.25 2avy h GLN 39 Cb 1.01 -0.03 -0.02 0.00 0.21 0.00 0.00 27.48 28.65 2avy h GLN 39 CO 0.06 0.08 -0.75 0.78 -1.93 0.00 0.00 178.83 177.06 2avy h GLY 40 N 0.12 0.00 0.43 2.39 0.00 -1.62 -2.32 103.07 102.07 2avy h GLY 40 Ca 0.20 0.00 -0.02 0.00 0.00 0.00 0.00 47.33 47.51 2avy h GLY 40 CO -0.02 0.00 -0.05 0.84 0.00 0.00 0.00 176.54 177.30 2avy h HIS 41 N 0.00 0.09 0.00 5.60 -0.00 -0.23 -3.15 115.15 117.46 2avy h HIS 41 Ca -0.01 -0.04 0.00 0.00 -0.00 0.00 0.00 60.37 60.33 2avy h HIS 41 Cb 1.36 -0.01 0.00 0.00 -0.00 0.00 0.00 27.41 28.76 2avy h HIS 41 CO 0.00 0.68 0.00 0.74 -0.00 0.00 0.00 177.93 179.35 2avy h PHE 42 N -0.54 0.00 -0.32 5.26 -1.00 -0.48 -0.78 116.94 119.09 2avy h PHE 42 Ca -0.00 0.00 -0.02 0.00 2.81 0.00 0.00 57.97 60.76 2avy h PHE 42 Cb 0.69 0.00 -0.02 0.00 3.61 0.00 0.00 35.95 40.23 2avy h PHE 42 CO 0.14 0.00 0.12 0.00 -1.61 0.00 0.00 178.31 176.96 2avy h ALA 43 N 2.05 1.61 -1.94 2.45 0.00 -1.37 -3.27 119.26 118.79 2avy h ALA 43 Ca 0.00 -0.10 -0.46 0.00 0.00 0.00 0.00 54.91 54.35 2avy h ALA 43 Cb 0.30 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.95 2avy h ALA 43 CO 0.00 0.31 -0.40 -2.00 0.00 0.00 0.00 179.25 177.16 2avy s GLU 44 N -5.20 3.12 0.00 0.00 2.12 -0.30 -4.63 118.70 113.81 2avy s GLU 44 Ca -0.07 -1.00 0.00 0.00 0.36 0.00 0.00 54.97 54.26 2avy s GLU 44 Cb 0.17 -2.76 0.00 0.00 0.26 0.00 0.00 34.13 31.80 2avy s GLU 44 CO 0.74 0.19 0.00 0.72 -0.54 0.00 0.00 175.26 176.37 2avy n HIS 45 N -1.50 0.00 0.00 5.30 8.25 -1.26 -4.81 115.22 121.20 2avy n HIS 45 Ca -0.03 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.43 2avy n HIS 45 Cb 0.58 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.69 2avy n HIS 45 CO 0.00 0.00 0.00 1.63 0.64 0.00 0.00 176.34 178.61 2avy n LYS 46 N 0.00 0.00 0.18 -0.41 5.02 -1.23 -4.30 118.16 117.42 2avy n LYS 46 Ca 0.00 0.00 0.06 0.00 -2.02 0.00 0.00 58.31 56.35 2avy n LYS 46 Cb 0.00 0.00 0.30 0.00 -0.02 0.00 0.00 35.03 35.31 2avy n LYS 46 CO 0.00 0.00 0.00 0.87 -0.52 0.00 0.00 177.40 177.75 2avy h LYS 47 N 0.00 0.00 -5.68 1.97 1.57 -1.91 -3.37 116.57 109.15 2avy h LYS 47 Ca 0.00 0.00 -0.32 0.00 -1.87 0.00 0.00 60.65 58.46 2avy h LYS 47 Cb 0.00 0.00 -0.05 0.00 0.08 0.00 0.00 32.23 32.26 2avy h LYS 47 CO 0.00 0.00 0.86 0.34 -0.57 0.00 0.00 179.45 180.08 2avy s ASP 48 N -3.27 5.20 -0.12 0.86 2.15 -1.26 -4.75 116.67 115.49 2avy s ASP 48 Ca -0.01 -0.96 -0.25 0.00 0.43 0.00 0.00 52.55 51.75 2avy s ASP 48 Cb 0.03 -2.57 -0.27 0.00 -0.30 0.00 0.00 42.92 39.82 2avy s ASP 48 CO 0.10 -2.74 0.72 0.45 -0.17 0.00 0.00 175.17 173.52 2avy h HIS 49 N 10.81 0.16 0.00 -5.34 3.86 -1.99 -3.32 115.15 119.33 2avy h HIS 49 Ca 0.13 -0.12 0.00 0.00 -1.16 0.00 0.00 60.37 59.23 2avy h HIS 49 Cb 0.99 -0.01 0.00 0.00 1.06 0.00 0.00 27.41 29.45 2avy h HIS 49 CO 1.22 1.17 0.44 0.45 0.86 0.00 0.00 177.93 182.07 2avy h HIS 50 N -0.80 0.00 0.00 2.45 3.86 -1.97 0.51 115.15 119.21 2avy h HIS 50 Ca -0.10 0.00 -0.23 0.00 -1.16 0.00 0.00 60.37 58.88 2avy h HIS 50 Cb 1.24 0.00 -0.04 0.00 1.06 0.00 0.00 27.41 29.67 2avy h HIS 50 CO 0.23 0.00 -1.61 0.43 0.86 0.00 0.00 177.93 177.83 2avy n SER 51 N -2.69 0.79 0.13 2.45 7.64 -1.25 -3.98 113.62 116.70 2avy n SER 51 Ca -0.02 0.36 -0.01 0.00 1.01 0.00 0.00 58.87 60.21 2avy n SER 51 Cb 0.47 0.17 0.11 0.00 -1.01 0.00 0.00 64.21 63.95 2avy n SER 51 CO 0.00 0.00 0.00 -0.09 -3.01 0.00 0.00 175.04 171.94 2avy h ARG 52 N 0.00 0.00 -0.82 1.43 2.43 -0.10 -2.39 114.38 114.94 2avy h ARG 52 Ca -0.24 0.00 0.05 0.00 -0.81 0.00 0.00 59.98 58.99 2avy h ARG 52 Cb 1.79 0.00 -0.06 0.00 -0.42 0.00 0.00 29.97 31.28 2avy h ARG 52 CO 0.06 0.66 0.51 -0.09 -1.51 0.00 0.00 179.97 179.60 2avy h ARG 53 N 0.00 0.92 -0.12 0.20 1.12 -1.48 0.64 114.38 115.66 2avy h ARG 53 Ca -0.01 -0.06 -0.16 0.00 -1.11 0.00 0.00 59.98 58.65 2avy h ARG 53 Cb 1.26 -0.21 -0.01 0.00 -0.01 0.00 0.00 29.97 31.00 2avy h ARG 53 CO 0.09 0.61 -0.61 0.78 -3.11 0.00 0.00 179.97 177.73 2avy h GLY 54 N 0.95 0.46 0.93 2.80 0.00 -1.68 -1.87 103.07 104.66 2avy h GLY 54 Ca 0.35 -0.57 -0.01 0.00 0.00 0.00 0.00 47.33 47.10 2avy h GLY 54 CO -0.15 0.51 -0.16 -2.00 0.00 0.00 0.00 176.54 174.74 2avy h LEU 55 N 0.31 -0.40 -1.36 3.11 5.85 -0.39 -1.98 115.31 120.46 2avy h LEU 55 Ca -0.01 0.02 0.03 0.00 0.84 0.00 0.00 57.88 58.77 2avy h LEU 55 Cb 1.15 0.12 -0.04 0.00 0.37 0.00 0.00 40.66 42.26 2avy h LEU 55 CO 0.11 -0.26 0.46 -0.07 -0.34 0.00 0.00 178.44 178.33 2avy h LEU 56 N -0.41 0.73 0.28 2.25 3.38 0.22 -2.05 115.31 119.70 2avy h LEU 56 Ca -0.03 -0.01 -0.01 0.00 0.09 0.00 0.00 57.88 57.93 2avy h LEU 56 Cb 0.34 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 40.90 2avy h LEU 56 CO 0.03 0.51 -0.33 -0.09 0.09 0.00 0.00 178.44 178.65 2avy h ARG 57 N 0.85 -0.60 -0.16 1.13 1.12 -0.69 -0.30 114.38 115.73 2avy h ARG 57 Ca 0.27 0.04 0.05 0.00 -1.11 0.00 0.00 59.98 59.23 2avy h ARG 57 Cb 0.04 0.14 -0.01 0.00 -0.01 0.00 0.00 29.97 30.13 2avy h ARG 57 CO -0.07 -0.40 0.16 0.00 -3.11 0.00 0.00 179.97 176.55 2avy h MET 58 N -0.62 0.00 0.50 0.20 -0.00 -1.20 0.40 114.93 114.22 2avy h MET 58 Ca -0.03 0.00 -0.02 0.00 -0.00 0.00 0.00 59.70 59.64 2avy h MET 58 Cb 0.55 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 32.15 2avy h MET 58 CO -0.07 0.00 -0.24 0.28 -0.00 0.00 0.00 176.91 176.88 2avy h VAL 59 N 0.00 0.17 -0.66 -0.10 2.07 -0.63 0.57 116.25 117.67 2avy h VAL 59 Ca 0.08 -0.52 -0.02 0.00 0.82 0.00 0.00 66.70 67.06 2avy h VAL 59 Cb 0.40 0.25 -0.03 0.00 -1.52 0.00 0.00 31.29 30.40 2avy h VAL 59 CO -0.00 0.03 0.32 0.77 0.02 0.00 0.00 177.57 178.71 2avy h SER 60 N -1.11 0.86 -0.58 0.57 4.64 -0.68 -1.22 113.55 116.02 2avy h SER 60 Ca -0.07 -0.13 0.07 0.00 -0.47 0.00 0.00 61.79 61.19 2avy h SER 60 Cb 0.57 -0.22 -0.03 0.00 -0.31 0.00 0.00 62.40 62.40 2avy h SER 60 CO 0.11 0.74 0.39 -0.61 -0.87 0.00 0.00 176.83 176.59 2avy h GLN 61 N 0.91 0.51 -0.25 4.77 4.15 -0.24 0.24 115.11 125.20 2avy h GLN 61 Ca 0.23 -0.03 -0.10 0.00 0.77 0.00 0.00 58.65 59.52 2avy h GLN 61 Cb 0.11 -0.11 -0.00 0.00 0.21 0.00 0.00 27.48 27.68 2avy h GLN 61 CO -0.03 0.34 -0.22 -0.09 -1.93 0.00 0.00 178.83 176.90 2avy h ARG 62 N 0.52 0.59 -0.54 1.69 2.43 0.19 -3.02 114.38 116.23 2avy h ARG 62 Ca 0.26 -0.30 -0.03 0.00 -0.81 0.00 0.00 59.98 59.10 2avy h ARG 62 Cb 0.33 0.01 -0.02 0.00 -0.42 0.00 0.00 29.97 29.86 2avy h ARG 62 CO -0.07 0.89 0.23 -0.09 -1.51 0.00 0.00 179.97 179.42 2avy h ARG 63 N 0.30 0.80 -0.57 0.20 2.43 -0.04 -1.26 114.38 116.24 2avy h ARG 63 Ca 0.04 -0.13 0.17 0.00 -0.81 0.00 0.00 59.98 59.25 2avy h ARG 63 Cb 0.77 -0.14 -0.02 0.00 -0.42 0.00 0.00 29.97 30.16 2avy h ARG 63 CO 0.06 0.68 0.45 0.87 -1.51 0.00 0.00 179.97 180.52 2avy h LYS 64 N 0.73 0.00 0.13 0.20 6.56 -0.55 0.33 116.57 123.97 2avy h LYS 64 Ca 0.18 0.00 -0.30 0.00 -1.06 0.00 0.00 60.65 59.47 2avy h LYS 64 Cb 0.17 0.00 -0.00 0.00 -0.57 0.00 0.00 32.23 31.83 2avy h LYS 64 CO -0.02 0.00 -1.45 -0.07 -2.06 0.00 0.00 179.45 175.85 2avy h LEU 65 N 0.00 0.42 -0.40 2.94 -0.00 -1.14 -3.23 115.31 113.89 2avy h LEU 65 Ca 0.27 -0.53 -0.05 0.00 -0.00 0.00 0.00 57.88 57.57 2avy h LEU 65 Cb 1.17 -0.14 -0.02 0.00 -0.00 0.00 0.00 40.66 41.68 2avy h LEU 65 CO -0.00 1.44 0.08 -0.07 -0.00 0.00 0.00 178.44 179.88 2avy h LEU 66 N 0.07 0.63 -1.14 1.67 3.38 -0.07 -2.49 115.31 117.36 2avy h LEU 66 Ca -0.21 -0.25 0.06 0.00 0.09 0.00 0.00 57.88 57.56 2avy h LEU 66 Cb 2.01 -0.17 -0.06 0.00 0.09 0.00 0.00 40.66 42.54 2avy h LEU 66 CO 0.18 0.72 0.59 0.44 0.09 0.00 0.00 178.44 180.46 2avy h ASP 67 N 0.52 0.92 0.53 -0.43 5.19 -1.38 -2.55 116.42 119.22 2avy h ASP 67 Ca 0.12 0.00 -0.02 0.00 -0.62 0.00 0.00 57.03 56.52 2avy h ASP 67 Cb 0.35 -0.20 -0.01 0.00 0.18 0.00 0.00 39.33 39.66 2avy h ASP 67 CO 0.01 0.60 -0.34 0.22 -3.12 0.00 0.00 179.24 176.61 2avy h TYR 68 N 1.05 -0.89 -0.72 4.55 3.20 -1.47 -2.27 116.97 120.41 2avy h TYR 68 Ca 0.38 -0.01 0.16 0.00 3.14 0.00 0.00 58.73 62.40 2avy h TYR 68 Cb 0.15 0.32 -0.11 0.00 1.54 0.00 0.00 36.73 38.62 2avy h TYR 68 CO -0.00 -0.51 0.12 -0.07 -1.64 0.00 0.00 178.16 176.06 2avy h LEU 69 N -0.83 -0.10 -2.27 2.82 -0.00 -1.07 0.80 115.31 114.67 2avy h LEU 69 Ca -0.06 0.16 0.01 0.00 -0.00 0.00 0.00 57.88 57.99 2avy h LEU 69 Cb 0.68 0.24 -0.00 0.00 -0.00 0.00 0.00 40.66 41.57 2avy h LEU 69 CO 0.05 -0.08 0.04 0.11 -0.00 0.00 0.00 178.44 178.57 2avy h LYS 70 N 0.21 0.00 -0.81 1.13 1.79 -1.22 0.13 116.57 117.81 2avy h LYS 70 Ca 0.40 0.00 -0.45 0.00 -2.18 0.00 0.00 60.65 58.42 2avy h LYS 70 Cb 0.70 0.00 -0.26 0.00 -1.58 0.00 0.00 32.23 31.09 2avy h LYS 70 CO -0.54 0.00 0.42 0.54 -1.08 0.00 0.00 179.45 178.78 2avy n ARG 71 N -4.09 2.26 0.00 3.15 1.74 0.27 -4.20 116.66 115.79 2avy n ARG 71 Ca -0.02 -3.16 0.00 0.00 -0.77 0.00 0.00 57.85 53.90 2avy n ARG 71 Cb 0.14 -2.10 0.00 0.00 -1.02 0.00 0.00 32.46 29.48 2avy n ARG 71 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 2avy n LYS 72 N -1.09 1.63 0.00 5.56 4.76 -0.49 -4.99 118.16 123.55 2avy n LYS 72 Ca 0.52 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.96 2avy n LYS 72 Cb 1.31 -0.14 0.00 0.00 -1.84 0.00 0.00 35.03 34.37 2avy n LYS 72 CO 0.00 0.00 0.00 -3.47 -1.37 0.00 0.00 177.40 172.56 2avy n ASP 73 N 0.00 0.00 -0.27 4.39 -0.08 0.33 -5.05 116.55 115.87 2avy n ASP 73 Ca 0.00 0.00 0.05 0.00 -1.51 0.00 0.00 54.79 53.33 2avy n ASP 73 Cb 0.00 0.00 0.12 0.00 2.34 0.00 0.00 41.12 43.58 2avy n ASP 73 CO 0.00 0.00 0.00 0.52 0.12 0.00 0.00 177.20 177.84 2avy n VAL 74 N 0.00 -0.32 0.07 5.18 0.31 -1.25 -1.46 118.33 120.86 2avy n VAL 74 Ca 0.00 1.73 -0.09 0.00 -0.01 0.00 0.00 64.34 65.98 2avy n VAL 74 Cb 0.00 -2.41 -0.05 0.00 -0.91 0.00 0.00 33.84 30.47 2avy n VAL 74 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2avy h ALA 75 N 1.52 -0.81 -1.53 3.52 0.00 -1.95 -2.51 119.26 117.50 2avy h ALA 75 Ca 0.37 -0.06 0.47 0.00 0.00 0.00 0.00 54.91 55.69 2avy h ALA 75 Cb 0.59 0.65 -0.10 0.00 0.00 0.00 0.00 17.79 18.93 2avy h ALA 75 CO -0.77 -0.87 1.04 0.00 0.00 0.00 0.00 179.25 178.65 2avy h ARG 76 N -0.41 0.05 0.22 0.00 3.08 -1.61 0.19 114.38 115.90 2avy h ARG 76 Ca -0.01 -0.00 -0.01 0.00 0.07 0.00 0.00 59.98 60.03 2avy h ARG 76 Cb 0.40 -0.01 0.00 0.00 0.08 0.00 0.00 29.97 30.44 2avy h ARG 76 CO -0.13 0.03 -0.11 -0.92 -1.07 0.00 0.00 179.97 177.78 2avy h TYR 77 N 0.05 -0.27 0.00 3.04 3.20 -1.41 -1.80 116.97 119.78 2avy h TYR 77 Ca 0.83 -0.01 0.00 0.00 3.14 0.00 0.00 58.73 62.69 2avy h TYR 77 Cb 2.94 0.09 0.00 0.00 1.54 0.00 0.00 36.73 41.30 2avy h TYR 77 CO -0.00 -0.17 0.00 1.79 -1.64 0.00 0.00 178.16 178.14 2avy h THR 78 N -0.35 0.00 0.00 1.81 1.35 -1.23 -0.28 112.91 114.22 2avy h THR 78 Ca -0.03 -0.09 0.00 0.00 -0.55 0.00 0.00 66.41 65.74 2avy h THR 78 Cb 0.23 0.90 0.00 0.00 -1.73 0.00 0.00 68.15 67.54 2avy h THR 78 CO 0.05 0.00 -0.28 0.03 -0.25 0.00 0.00 175.52 175.07 2avy h ARG 79 N 0.00 0.00 0.00 4.72 3.08 -0.57 -3.36 114.38 118.25 2avy h ARG 79 Ca 0.00 0.00 -0.25 0.00 0.07 0.00 0.00 59.98 59.80 2avy h ARG 79 Cb 0.10 0.00 -0.05 0.00 0.08 0.00 0.00 29.97 30.10 2avy h ARG 79 CO 0.00 0.00 -1.94 -0.11 -1.07 0.00 0.00 179.97 176.85 2avy n LEU 80 N -2.47 1.64 0.29 3.04 0.00 -0.28 -4.39 117.00 114.82 2avy n LEU 80 Ca 0.04 -0.05 0.18 0.00 0.00 0.00 0.00 56.01 56.18 2avy n LEU 80 Cb 0.47 -0.18 0.96 0.00 0.00 0.00 0.00 43.42 44.67 2avy n LEU 80 CO 0.34 0.58 1.16 0.16 0.00 0.00 0.00 177.39 179.62 2avy h ILE 81 N 0.00 0.20 0.03 1.96 3.07 -1.27 -2.33 117.51 119.17 2avy h ILE 81 Ca -0.37 0.00 -0.12 0.00 1.55 0.00 0.00 64.86 65.92 2avy h ILE 81 Cb 1.69 0.85 -0.01 0.00 -0.27 0.00 0.00 36.82 39.08 2avy h ILE 81 CO -0.02 0.00 -0.62 -0.08 -1.05 0.00 0.00 178.15 176.37 2avy h GLU 82 N 0.00 0.06 0.00 0.16 4.57 -1.79 0.25 114.58 117.83 2avy h GLU 82 Ca 0.03 -0.10 0.00 0.00 -1.18 0.00 0.00 59.36 58.11 2avy h GLU 82 Cb 0.36 0.04 0.00 0.00 -0.16 0.00 0.00 28.75 28.99 2avy h GLU 82 CO -0.00 1.05 0.07 0.00 -1.18 0.00 0.00 179.01 178.95 2avy h ARG 83 N -0.85 0.00 -0.04 1.92 3.08 -1.63 0.14 114.38 117.01 2avy h ARG 83 Ca -0.15 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.90 2avy h ARG 83 Cb 1.25 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.30 2avy h ARG 83 CO -0.04 0.00 0.00 1.28 -1.07 0.00 0.00 179.97 180.14 2avy n LEU 84 N -2.40 1.88 -3.12 3.04 4.32 -1.05 -4.98 117.00 114.69 2avy n LEU 84 Ca -0.02 -1.08 -0.22 0.00 -0.02 0.00 0.00 56.01 54.67 2avy n LEU 84 Cb 0.11 -0.02 0.02 0.00 -1.62 0.00 0.00 43.42 41.90 2avy n LEU 84 CO 0.11 0.38 -0.03 0.61 -1.22 0.00 0.00 177.39 177.24 2avy n GLY 85 N 0.53 -0.51 1.43 -0.72 0.00 0.51 -4.96 105.19 101.46 2avy n GLY 85 Ca 0.06 0.10 -0.11 0.00 0.00 0.00 0.00 46.02 46.07 2avy n GLY 85 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2avy n LEU 86 N -3.81 0.00 0.00 0.99 4.77 0.05 -4.25 117.00 114.76 2avy n LEU 86 Ca -0.08 -0.51 0.00 0.00 -0.03 0.00 0.00 56.01 55.39 2avy n LEU 86 Cb 0.59 -0.39 0.00 0.00 -2.33 0.00 0.00 43.42 41.29 2avy n LEU 86 CO 0.47 -1.14 0.00 -1.14 -1.33 0.00 0.00 177.39 174.24 2avy n ARG 87 N -2.42 0.00 -0.25 3.23 3.00 -1.26 -4.92 116.66 114.03 2avy n ARG 87 Ca 0.06 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.91 2avy n ARG 87 Cb 0.23 -0.11 0.00 0.00 0.00 0.00 0.00 32.46 32.58 2avy n ARG 87 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.63 178.17