#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ava s LYS 2 N 0.00 4.30 0.48 0.00 -0.14 -1.26 -4.88 119.74 118.24 2ava s LYS 2 Ca 0.00 1.49 0.24 0.00 -1.36 0.00 0.00 55.97 56.34 2ava s LYS 2 Cb 0.00 -2.65 1.28 0.00 -1.68 0.00 0.00 37.83 34.78 2ava s LYS 2 CO 0.00 -0.02 1.90 0.87 -0.76 0.00 0.00 175.35 177.35 2ava h LYS 3 N 2.75 0.18 -0.77 1.68 1.57 -2.01 0.72 116.57 120.70 2ava h LYS 3 Ca -0.48 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.29 2ava h LYS 3 Cb 1.21 -0.04 -0.04 0.00 0.08 0.00 0.00 32.23 33.44 2ava h LYS 3 CO 0.63 0.12 0.49 1.05 -0.57 0.00 0.00 179.45 181.17 2ava h GLU 4 N 0.19 1.03 0.04 3.15 -0.00 -2.00 -0.54 114.58 116.45 2ava h GLU 4 Ca 0.40 -0.08 -0.24 0.00 -0.00 0.00 0.00 59.36 59.45 2ava h GLU 4 Cb 1.29 -0.22 0.00 0.00 -0.00 0.00 0.00 28.75 29.82 2ava h GLU 4 CO -0.08 0.71 -1.02 1.79 -0.00 0.00 0.00 179.01 180.41 2ava h THR 5 N 1.05 1.43 -0.60 -1.06 1.35 -1.28 -2.69 112.91 111.11 2ava h THR 5 Ca 0.28 -2.62 -0.06 0.00 -0.55 0.00 0.00 66.41 63.46 2ava h THR 5 Cb -0.08 2.56 -0.03 0.00 -1.73 0.00 0.00 68.15 68.88 2ava h THR 5 CO -0.06 0.78 0.14 0.40 -0.25 0.00 0.00 175.52 176.53 2ava h ILE 6 N 0.18 1.24 -0.04 6.82 2.04 -0.92 -1.59 117.51 125.24 2ava h ILE 6 Ca -0.09 -0.89 -0.20 0.00 1.00 0.00 0.00 64.86 64.68 2ava h ILE 6 Cb 1.68 0.63 -0.00 0.00 -0.74 0.00 0.00 36.82 38.39 2ava h ILE 6 CO 0.17 0.34 -0.81 0.44 0.00 0.00 0.00 178.15 178.29 2ava h ASP 7 N 0.91 0.46 0.72 1.72 3.32 -1.15 -2.84 116.42 119.55 2ava h ASP 7 Ca 0.19 -0.33 -0.04 0.00 0.02 0.00 0.00 57.03 56.88 2ava h ASP 7 Cb 0.34 -0.14 0.01 0.00 0.22 0.00 0.00 39.33 39.76 2ava h ASP 7 CO 0.00 1.09 -0.34 0.11 -1.72 0.00 0.00 179.24 178.38 2ava h LYS 8 N 0.24 -0.93 -0.33 3.56 1.79 -1.18 -2.56 116.57 117.16 2ava h LYS 8 Ca -0.05 0.06 0.07 0.00 -2.18 0.00 0.00 60.65 58.56 2ava h LYS 8 Cb 1.41 0.21 -0.07 0.00 -1.58 0.00 0.00 32.23 32.20 2ava h LYS 8 CO 0.14 -0.60 -0.16 0.28 -1.08 0.00 0.00 179.45 178.03 2ava h VAL 9 N -1.20 0.52 -0.43 0.50 2.07 -1.41 0.14 116.25 116.44 2ava h VAL 9 Ca -0.10 0.00 0.13 0.00 0.82 0.00 0.00 66.70 67.55 2ava h VAL 9 Cb 0.76 0.52 -0.02 0.00 -1.52 0.00 0.00 31.29 31.03 2ava h VAL 9 CO 0.16 0.00 0.40 0.77 0.02 0.00 0.00 177.57 178.92 2ava h SER 10 N -0.10 0.00 -0.09 0.57 4.64 -1.54 -0.60 113.55 116.43 2ava h SER 10 Ca 0.17 0.00 -0.08 0.00 -0.47 0.00 0.00 61.79 61.41 2ava h SER 10 Cb 0.36 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.45 2ava h SER 10 CO -0.39 0.00 -0.25 -0.78 -0.87 0.00 0.00 176.83 174.54 2ava h ASP 11 N 0.00 0.38 -0.92 4.97 1.82 -0.29 -2.97 116.42 119.39 2ava h ASP 11 Ca 0.21 -0.59 0.21 0.00 -0.39 0.00 0.00 57.03 56.46 2ava h ASP 11 Cb 0.99 -0.11 -0.07 0.00 0.68 0.00 0.00 39.33 40.82 2ava h ASP 11 CO -0.00 0.90 0.61 0.40 -1.61 0.00 0.00 179.24 179.54 2ava h ILE 12 N -0.13 0.66 -0.16 2.25 5.03 -0.64 0.16 117.51 124.68 2ava h ILE 12 Ca -0.01 -0.14 -0.19 0.00 -0.12 0.00 0.00 64.86 64.40 2ava h ILE 12 Cb 0.86 0.21 -0.00 0.00 -3.03 0.00 0.00 36.82 34.86 2ava h ILE 12 CO 0.05 0.08 -0.67 0.58 -0.68 0.00 0.00 178.15 177.51 2ava h VAL 13 N 0.42 1.32 -0.40 1.67 2.07 -1.50 -3.19 116.25 116.64 2ava h VAL 13 Ca 0.49 -1.94 -0.12 0.00 0.82 0.00 0.00 66.70 65.94 2ava h VAL 13 Cb 1.20 1.92 -0.01 0.00 -1.52 0.00 0.00 31.29 32.87 2ava h VAL 13 CO -0.20 0.60 -0.23 0.11 0.02 0.00 0.00 177.57 177.88 2ava h LYS 14 N 0.44 0.87 -0.08 1.57 1.57 -0.63 -2.78 116.57 117.53 2ava h LYS 14 Ca -0.02 -0.40 0.02 0.00 -1.87 0.00 0.00 60.65 58.39 2ava h LYS 14 Cb 1.25 -0.02 -0.00 0.00 0.08 0.00 0.00 32.23 33.55 2ava h LYS 14 CO 0.13 1.04 0.11 0.93 -0.57 0.00 0.00 179.45 181.09 2ava h GLU 15 N 0.68 0.00 -0.38 3.15 5.08 -0.99 0.36 114.58 122.48 2ava h GLU 15 Ca 0.08 0.00 0.04 0.00 -1.00 0.00 0.00 59.36 58.49 2ava h GLU 15 Cb 0.80 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 30.01 2ava h GLU 15 CO 0.07 0.00 0.15 0.87 -1.00 0.00 0.00 179.01 179.09 2ava h LYS 16 N 0.00 0.31 -0.02 2.33 1.79 -1.48 -3.03 116.57 116.47 2ava h LYS 16 Ca 0.04 -0.02 -0.01 0.00 -2.18 0.00 0.00 60.65 58.49 2ava h LYS 16 Cb 0.26 -0.07 -0.00 0.00 -1.58 0.00 0.00 32.23 30.84 2ava h LYS 16 CO -0.00 0.20 -0.19 1.47 -1.08 0.00 0.00 179.45 179.86 2ava n LEU 17 N -4.99 2.61 -3.12 2.94 -0.00 -0.77 -5.02 117.00 108.65 2ava n LEU 17 Ca 0.02 -3.41 -0.11 0.00 -0.00 0.00 0.00 56.01 52.50 2ava n LEU 17 Cb 0.13 -0.48 0.01 0.00 -0.00 0.00 0.00 43.42 43.08 2ava n LEU 17 CO 0.28 0.98 0.08 0.00 -0.00 0.00 0.00 177.39 178.73 2ava n ALA 18 N -1.27 -2.72 -4.38 1.47 0.00 0.94 -5.04 120.51 109.51 2ava n ALA 18 Ca 0.18 0.50 -0.21 0.00 0.00 0.00 0.00 53.44 53.90 2ava n ALA 18 Cb 0.68 -2.45 -0.05 0.00 0.00 0.00 0.00 19.45 17.64 2ava n ALA 18 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 2ava n LEU 19 N -1.06 0.00 0.00 0.00 4.32 0.70 -4.88 117.00 116.08 2ava n LEU 19 Ca 0.00 -2.20 0.00 0.00 -0.02 0.00 0.00 56.01 53.80 2ava n LEU 19 Cb 0.53 0.45 0.00 0.00 -1.62 0.00 0.00 43.42 42.78 2ava n LEU 19 CO 0.53 -0.32 0.00 0.61 -1.22 0.00 0.00 177.39 176.98 2ava n GLY 20 N 0.52 0.96 0.08 -0.72 0.00 -1.26 -4.62 105.19 100.16 2ava n GLY 20 Ca -0.10 -0.03 -0.05 0.00 0.00 0.00 0.00 46.02 45.84 2ava n GLY 20 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2ava n ALA 21 N -1.80 0.59 -1.12 4.61 0.00 -1.26 -4.76 120.51 116.78 2ava n ALA 21 Ca 0.00 -0.56 0.08 0.00 0.00 0.00 0.00 53.44 52.96 2ava n ALA 21 Cb 0.00 0.02 0.18 0.00 0.00 0.00 0.00 19.45 19.66 2ava n ALA 21 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 2ava n ASP 22 N -3.62 2.74 -4.54 0.00 8.00 -1.26 -5.02 116.55 112.86 2ava n ASP 22 Ca -0.08 -3.19 -0.29 0.00 0.71 0.00 0.00 54.79 51.94 2ava n ASP 22 Cb 0.29 -0.49 -0.10 0.00 -0.02 0.00 0.00 41.12 40.80 2ava n ASP 22 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 2ava s VAL 23 N -2.92 3.16 -0.04 2.53 1.01 -1.26 -5.12 120.40 117.75 2ava s VAL 23 Ca 0.36 -1.38 -0.20 0.00 0.00 0.00 0.00 61.98 60.77 2ava s VAL 23 Cb 0.31 -2.47 -0.05 0.00 0.00 0.00 0.00 36.38 34.17 2ava s VAL 23 CO 0.04 0.10 0.57 -0.69 0.00 0.00 0.00 175.10 175.11 2ava s VAL 24 N -1.21 5.01 -0.21 2.92 1.01 -1.26 -4.71 120.40 121.95 2ava s VAL 24 Ca 0.20 1.17 -0.12 0.00 0.00 0.00 0.00 61.98 63.23 2ava s VAL 24 Cb -0.11 -3.90 -0.05 0.00 0.00 0.00 0.00 36.38 32.32 2ava s VAL 24 CO 0.12 0.38 0.21 0.54 0.00 0.00 0.00 175.10 176.35 2ava s VAL 25 N 0.13 5.34 0.05 2.92 0.11 -1.26 -5.08 120.40 122.60 2ava s VAL 25 Ca 0.30 0.32 0.05 0.00 -2.93 0.00 0.00 61.98 59.72 2ava s VAL 25 Cb -0.17 -3.55 -0.02 0.00 -1.53 0.00 0.00 36.38 31.10 2ava s VAL 25 CO 0.15 0.36 -0.14 0.42 -3.33 0.00 0.00 175.10 172.55 2ava s THR 26 N 0.87 1.14 -0.38 5.04 -4.23 -1.26 -5.03 115.64 111.78 2ava s THR 26 Ca 0.11 -1.07 0.22 0.00 -1.18 0.00 0.00 61.69 59.76 2ava s THR 26 Cb -0.13 -1.04 0.27 0.00 1.34 0.00 0.00 72.50 72.93 2ava s THR 26 CO 0.04 -0.03 1.53 0.00 -0.54 0.00 0.00 174.62 175.61 2ava h ALA 27 N 4.79 0.91 0.00 3.99 0.00 -1.95 -3.16 119.26 123.84 2ava h ALA 27 Ca -0.39 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.45 2ava h ALA 27 Cb 1.18 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.96 2ava h ALA 27 CO 0.43 0.10 -0.49 -0.25 0.00 0.00 0.00 179.25 179.04 2ava n ASP 28 N -3.08 0.52 -4.55 0.00 9.92 -1.26 -0.17 116.55 117.92 2ava n ASP 28 Ca 0.03 -0.03 -0.30 0.00 -0.53 0.00 0.00 54.79 53.96 2ava n ASP 28 Cb 0.56 0.13 -0.04 0.00 -0.64 0.00 0.00 41.12 41.13 2ava n ASP 28 CO 0.00 0.00 0.00 -0.55 0.13 0.00 0.00 177.20 176.78 2ava s SER 29 N -3.43 4.87 -0.26 -2.24 0.15 -1.20 -4.77 113.70 106.82 2ava s SER 29 Ca 0.10 0.08 -0.36 0.00 0.70 0.00 0.00 55.95 56.47 2ava s SER 29 Cb 0.16 -2.54 -0.12 0.00 -1.71 0.00 0.00 66.02 61.81 2ava s SER 29 CO 0.69 -2.82 2.01 -0.62 1.20 0.00 0.00 173.24 173.69 2ava n GLU 30 N 8.99 1.44 0.17 5.44 1.02 -1.26 -4.14 120.64 132.30 2ava n GLU 30 Ca 0.34 0.47 0.03 0.00 -0.02 0.00 0.00 57.16 57.98 2ava n GLU 30 Cb 0.49 -2.47 0.27 0.00 -0.02 0.00 0.00 31.44 29.71 2ava n GLU 30 CO 0.00 0.00 0.00 0.27 1.18 0.00 0.00 177.13 178.58 2ava h PHE 31 N 10.52 0.00 -3.37 -0.32 -0.00 -1.90 -3.41 116.94 118.46 2ava h PHE 31 Ca -0.38 0.00 -0.60 0.00 -0.00 0.00 0.00 57.97 56.99 2ava h PHE 31 Cb 1.30 0.00 -0.37 0.00 -0.00 0.00 0.00 35.95 36.88 2ava h PHE 31 CO 0.90 0.46 -0.81 0.45 -0.00 0.00 0.00 178.31 179.31 2ava s SER 32 N -6.58 3.16 -0.26 -0.68 0.15 -1.26 -4.94 113.70 103.29 2ava s SER 32 Ca -0.00 -0.78 -0.15 0.00 0.70 0.00 0.00 55.95 55.71 2ava s SER 32 Cb 0.11 -1.13 -0.13 0.00 -1.71 0.00 0.00 66.02 63.17 2ava s SER 32 CO 0.71 -0.15 -0.27 0.29 1.20 0.00 0.00 173.24 175.02 2ava n LYS 33 N 4.75 0.58 -4.10 5.44 5.02 -1.26 -4.95 118.16 123.64 2ava n LYS 33 Ca -0.14 0.31 -0.09 0.00 -2.02 0.00 0.00 58.31 56.37 2ava n LYS 33 Cb 0.47 -1.53 -0.10 0.00 -0.02 0.00 0.00 35.03 33.86 2ava n LYS 33 CO 0.00 0.00 0.00 -1.17 -0.52 0.00 0.00 177.40 175.71 2ava s LEU 34 N -7.59 1.87 -0.18 -0.35 2.96 -1.26 -5.04 118.68 109.09 2ava s LEU 34 Ca -0.37 -1.09 0.10 0.00 -0.22 0.00 0.00 54.13 52.56 2ava s LEU 34 Cb 0.13 0.40 0.62 0.00 0.50 0.00 0.00 46.19 47.84 2ava s LEU 34 CO 0.50 -0.71 1.44 0.61 -1.32 0.00 0.00 176.35 176.87 2ava n GLY 35 N -0.05 2.62 2.91 7.98 0.00 -1.26 -4.65 105.19 112.75 2ava n GLY 35 Ca -0.08 -0.70 -0.19 0.00 0.00 0.00 0.00 46.02 45.05 2ava n GLY 35 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2ava s ALA 36 N -2.33 0.64 -1.40 4.61 0.00 -1.26 -4.82 121.76 117.20 2ava s ALA 36 Ca 0.41 -0.09 -0.10 0.00 0.00 0.00 0.00 51.96 52.18 2ava s ALA 36 Cb 0.31 -0.35 0.03 0.00 0.00 0.00 0.00 23.12 23.11 2ava s ALA 36 CO 0.12 0.03 1.11 -3.47 0.00 0.00 0.00 175.76 173.55 2ava n ASP 37 N 3.78 -5.55 -3.99 0.00 2.03 -1.26 -4.98 116.55 106.58 2ava n ASP 37 Ca -0.23 -0.62 -0.13 0.00 0.52 0.00 0.00 54.79 54.33 2ava n ASP 37 Cb 0.52 -4.69 -0.08 0.00 -0.72 0.00 0.00 41.12 36.15 2ava n ASP 37 CO 0.00 0.00 0.00 -0.55 -1.92 0.00 0.00 177.20 174.73 2ava s SER 38 N -3.41 0.35 0.96 1.67 0.15 -1.26 -5.08 113.70 107.08 2ava s SER 38 Ca 0.56 -1.35 -0.13 0.00 0.70 0.00 0.00 55.95 55.73 2ava s SER 38 Cb -0.26 0.46 0.05 0.00 -1.71 0.00 0.00 66.02 64.57 2ava s SER 38 CO 0.76 -0.96 0.46 0.00 1.20 0.00 0.00 173.24 174.70 2ava n LEU 39 N -0.36 -0.01 -4.70 3.45 -0.00 -1.26 -4.94 117.00 109.18 2ava n LEU 39 Ca 0.02 0.31 -0.39 0.00 -0.00 0.00 0.00 56.01 55.95 2ava n LEU 39 Cb 0.64 -1.22 -0.06 0.00 -0.00 0.00 0.00 43.42 42.78 2ava n LEU 39 CO 0.31 -3.46 0.24 -1.81 -0.00 0.00 0.00 177.39 172.66 2ava s ASP 40 N -2.07 6.68 0.21 1.45 1.11 -1.26 -4.97 116.67 117.82 2ava s ASP 40 Ca 0.58 0.81 -0.07 0.00 0.18 0.00 0.00 52.55 54.05 2ava s ASP 40 Cb -0.21 -2.31 0.17 0.00 1.07 0.00 0.00 42.92 41.65 2ava s ASP 40 CO 0.66 -0.09 1.71 0.74 1.18 0.00 0.00 175.17 179.37 2ava h THR 41 N 4.89 1.26 -0.73 -1.27 2.02 -1.94 -2.68 112.91 114.46 2ava h THR 41 Ca -0.38 -1.02 0.08 0.00 0.77 0.00 0.00 66.41 65.86 2ava h THR 41 Cb 1.17 0.68 -0.05 0.00 -1.74 0.00 0.00 68.15 68.21 2ava h THR 41 CO 0.75 0.38 0.48 0.58 0.37 0.00 0.00 175.52 178.08 2ava h VAL 42 N 0.96 0.96 0.00 3.16 2.07 -1.93 0.24 116.25 121.72 2ava h VAL 42 Ca 0.19 -0.23 -0.10 0.00 0.82 0.00 0.00 66.70 67.38 2ava h VAL 42 Cb 0.44 0.23 -0.01 0.00 -1.52 0.00 0.00 31.29 30.43 2ava h VAL 42 CO 0.01 0.12 -0.46 -0.33 0.02 0.00 0.00 177.57 176.94 2ava h GLU 43 N 0.67 0.00 0.00 1.57 5.08 -1.90 -2.69 114.58 117.31 2ava h GLU 43 Ca 0.33 0.00 -0.05 0.00 -1.00 0.00 0.00 59.36 58.64 2ava h GLU 43 Cb 0.39 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.64 2ava h GLU 43 CO -0.11 0.46 -0.30 0.82 -1.00 0.00 0.00 179.01 178.88 2ava h ILE 44 N 0.00 1.26 -0.74 3.13 1.08 -0.86 -3.15 117.51 118.23 2ava h ILE 44 Ca -0.00 -2.05 0.17 0.00 -0.39 0.00 0.00 64.86 62.58 2ava h ILE 44 Cb 0.92 2.50 -0.05 0.00 -3.07 0.00 0.00 36.82 37.12 2ava h ILE 44 CO 0.06 0.43 0.51 1.62 -0.69 0.00 0.00 178.15 180.07 2ava h VAL 45 N -1.00 0.74 -0.09 1.67 3.04 -0.69 -1.00 116.25 118.92 2ava h VAL 45 Ca -0.08 -0.10 -0.04 0.00 -1.01 0.00 0.00 66.70 65.48 2ava h VAL 45 Cb 0.90 0.43 -0.00 0.00 -2.01 0.00 0.00 31.29 30.61 2ava h VAL 45 CO -0.05 0.05 -0.09 -0.03 -1.01 0.00 0.00 177.57 176.44 2ava h MET 46 N 0.29 0.23 -0.92 4.17 -1.53 -1.60 0.15 114.93 115.72 2ava h MET 46 Ca 0.37 -0.12 0.01 0.00 -3.44 0.00 0.00 59.70 56.51 2ava h MET 46 Cb 1.01 0.00 -0.05 0.00 -0.55 0.00 0.00 31.60 32.02 2ava h MET 46 CO -0.09 0.65 0.60 -0.91 0.14 0.00 0.00 176.91 177.30 2ava h ASN 47 N -0.18 1.06 0.06 1.39 4.21 -1.20 0.39 115.58 121.30 2ava h ASN 47 Ca 0.01 -0.03 -0.00 0.00 1.21 0.00 0.00 56.30 57.49 2ava h ASN 47 Cb 0.61 -0.27 0.00 0.00 -1.12 0.00 0.00 38.32 37.55 2ava h ASN 47 CO 0.02 0.78 -0.03 -0.07 -1.29 0.00 0.00 177.43 176.84 2ava h LEU 48 N 1.25 -0.07 -1.41 1.61 3.38 -1.22 -0.14 115.31 118.72 2ava h LEU 48 Ca 0.34 -0.52 -0.02 0.00 0.09 0.00 0.00 57.88 57.77 2ava h LEU 48 Cb -0.13 0.02 -0.02 0.00 0.09 0.00 0.00 40.66 40.62 2ava h LEU 48 CO -0.07 0.52 0.17 -0.08 0.09 0.00 0.00 178.44 179.07 2ava h GLU 49 N -0.69 0.57 0.15 1.13 4.81 -0.82 0.19 114.58 119.92 2ava h GLU 49 Ca -0.01 -0.07 -0.01 0.00 -0.13 0.00 0.00 59.36 59.14 2ava h GLU 49 Cb 0.58 -0.11 0.00 0.00 0.63 0.00 0.00 28.75 29.85 2ava h GLU 49 CO 0.01 0.47 -0.07 1.49 -0.73 0.00 0.00 179.01 180.18 2ava h GLU 50 N 0.57 -0.19 0.10 1.92 4.22 -0.25 0.21 114.58 121.16 2ava h GLU 50 Ca 0.14 0.01 -0.00 0.00 0.08 0.00 0.00 59.36 59.59 2ava h GLU 50 Cb 0.10 0.04 -0.00 0.00 0.50 0.00 0.00 28.75 29.39 2ava h GLU 50 CO -0.02 0.24 -0.07 1.49 -2.18 0.00 0.00 179.01 178.47 2ava h GLU 51 N -0.89 -0.17 0.00 1.92 4.81 -0.93 -2.05 114.58 117.27 2ava h GLU 51 Ca -0.02 0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.22 2ava h GLU 51 Cb 0.52 0.04 0.00 0.00 0.63 0.00 0.00 28.75 29.94 2ava h GLU 51 CO 0.03 -0.11 0.00 0.74 -0.73 0.00 0.00 179.01 178.94 2ava h PHE 52 N -0.17 0.00 -5.50 0.92 0.04 -0.75 -3.47 116.94 108.01 2ava h PHE 52 Ca -0.01 0.00 -0.42 0.00 2.80 0.00 0.00 57.97 60.35 2ava h PHE 52 Cb 0.15 0.00 0.07 0.00 2.20 0.00 0.00 35.95 38.37 2ava h PHE 52 CO -0.09 0.00 -0.66 0.41 -0.60 0.00 0.00 178.31 177.37 2ava n GLY 53 N 0.60 -0.53 2.61 -1.45 0.00 0.62 -4.99 105.19 102.05 2ava n GLY 53 Ca 0.03 0.20 -0.13 0.00 0.00 0.00 0.00 46.02 46.12 2ava n GLY 53 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 2ava n ILE 54 N -4.74 0.00 -3.83 -0.61 -5.35 -0.57 -4.80 119.36 99.46 2ava n ILE 54 Ca -0.02 -1.30 -0.29 0.00 -0.27 0.00 0.00 62.75 60.87 2ava n ILE 54 Cb 0.57 -0.64 -0.12 0.00 -1.74 0.00 0.00 39.64 37.70 2ava n ILE 54 CO 0.00 0.00 0.00 0.54 -1.76 0.00 0.00 176.55 175.33 2ava s ASN 55 N -3.39 4.19 0.12 7.28 6.03 -1.26 -4.81 114.94 123.11 2ava s ASN 55 Ca 0.39 -3.43 0.05 0.00 -1.03 0.00 0.00 52.86 48.84 2ava s ASN 55 Cb -0.03 -1.43 -0.04 0.00 -3.03 0.00 0.00 41.25 36.72 2ava s ASN 55 CO 0.25 -0.15 0.04 0.54 -2.03 0.00 0.00 177.10 175.75 2ava s VAL 56 N -0.81 4.14 0.27 3.54 0.11 -1.26 -5.07 120.40 121.33 2ava s VAL 56 Ca 0.23 -1.05 0.08 0.00 -2.93 0.00 0.00 61.98 58.31 2ava s VAL 56 Cb -0.11 -3.03 -0.04 0.00 -1.53 0.00 0.00 36.38 31.68 2ava s VAL 56 CO -0.11 0.03 0.15 -0.62 -3.33 0.00 0.00 175.10 171.22 2ava s ASP 57 N -2.60 5.14 0.30 3.54 2.15 -1.26 -5.01 116.67 118.93 2ava s ASP 57 Ca 0.28 -0.44 -0.00 0.00 0.43 0.00 0.00 52.55 52.82 2ava s ASP 57 Cb -0.11 -1.13 0.50 0.00 -0.30 0.00 0.00 42.92 41.88 2ava s ASP 57 CO 0.20 -0.09 1.92 1.05 -0.17 0.00 0.00 175.17 178.09 2ava h GLU 58 N 1.58 1.03 0.00 4.34 -0.00 -2.00 0.41 114.58 119.93 2ava h GLU 58 Ca -0.46 -0.06 -0.01 0.00 -0.00 0.00 0.00 59.36 58.82 2ava h GLU 58 Cb 1.24 -0.23 -0.00 0.00 -0.00 0.00 0.00 28.75 29.76 2ava h GLU 58 CO 0.61 0.68 -0.06 -0.44 -0.00 0.00 0.00 179.01 179.79 2ava h ASP 59 N 1.06 0.00 0.16 3.06 3.32 -2.00 -0.23 116.42 121.79 2ava h ASP 59 Ca 0.37 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.42 2ava h ASP 59 Cb 0.12 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.67 2ava h ASP 59 CO -0.13 0.06 -0.90 1.17 -1.72 0.00 0.00 179.24 177.73 2ava n LYS 60 N -3.56 0.04 -0.96 3.56 3.00 -0.01 -4.21 118.16 116.02 2ava n LYS 60 Ca -0.02 -0.01 0.02 0.00 -0.00 0.00 0.00 58.31 58.30 2ava n LYS 60 Cb 0.18 -1.51 0.16 0.00 0.00 0.00 0.00 35.03 33.86 2ava n LYS 60 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 2ava n ALA 61 N -1.54 3.63 -0.05 3.14 0.00 -0.34 -4.68 120.51 120.67 2ava n ALA 61 Ca 0.04 -3.22 -0.07 0.00 0.00 0.00 0.00 53.44 50.19 2ava n ALA 61 Cb 0.35 -0.41 -0.05 0.00 0.00 0.00 0.00 19.45 19.33 2ava n ALA 61 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2ava n GLN 62 N -0.83 0.45 -2.16 0.00 -0.00 -0.23 -4.72 117.38 109.89 2ava n GLN 62 Ca 0.20 0.05 -0.29 0.00 -0.00 0.00 0.00 57.00 56.97 2ava n GLN 62 Cb 0.79 -1.20 0.02 0.00 -0.00 0.00 0.00 30.24 29.85 2ava n GLN 62 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.06 173.59 2ava n ASP 63 N -2.76 5.44 -4.66 2.61 -0.08 -1.26 -5.02 116.55 110.82 2ava n ASP 63 Ca -0.18 -3.75 -0.41 0.00 -1.51 0.00 0.00 54.79 48.95 2ava n ASP 63 Cb 0.70 -0.56 -0.05 0.00 2.34 0.00 0.00 41.12 43.55 2ava n ASP 63 CO 0.00 0.00 0.00 -0.63 0.12 0.00 0.00 177.20 176.69 2ava s ILE 64 N -5.13 4.96 0.13 5.18 -1.09 -1.26 -5.06 121.20 118.93 2ava s ILE 64 Ca 0.51 1.32 -0.02 0.00 -2.23 0.00 0.00 60.65 60.23 2ava s ILE 64 Cb 0.42 -4.01 0.03 0.00 -1.58 0.00 0.00 42.46 37.32 2ava s ILE 64 CO -0.14 0.06 0.07 -1.20 -1.23 0.00 0.00 174.94 172.50 2ava n SER 65 N 5.29 -2.17 -3.71 3.58 7.64 -1.26 -4.87 113.62 118.13 2ava n SER 65 Ca 0.01 -0.07 -0.23 0.00 1.01 0.00 0.00 58.87 59.59 2ava n SER 65 Cb 0.49 -0.08 0.17 0.00 -1.01 0.00 0.00 64.21 63.78 2ava n SER 65 CO 0.00 0.00 0.00 1.07 -3.01 0.00 0.00 175.04 173.10 2ava n THR 66 N -3.23 0.00 -0.29 0.44 5.66 -1.26 -4.12 114.28 111.48 2ava n THR 66 Ca 0.01 -0.09 0.30 0.00 -3.05 0.00 0.00 64.05 61.22 2ava n THR 66 Cb 0.05 -0.57 0.67 0.00 -1.55 0.00 0.00 70.33 68.93 2ava n THR 66 CO 0.00 0.00 0.00 0.40 -3.05 0.00 0.00 175.07 172.42 2ava h ILE 67 N -2.67 0.47 0.11 1.09 2.04 -1.63 -0.81 117.51 116.12 2ava h ILE 67 Ca -0.33 -0.04 0.02 0.00 1.00 0.00 0.00 64.86 65.51 2ava h ILE 67 Cb 0.96 0.34 -0.04 0.00 -0.74 0.00 0.00 36.82 37.34 2ava h ILE 67 CO 0.21 0.02 -0.37 1.56 0.00 0.00 0.00 178.15 179.58 2ava h GLN 68 N 0.12 -0.57 -0.15 2.37 1.08 -0.86 0.21 115.11 117.31 2ava h GLN 68 Ca 0.54 0.04 -0.16 0.00 -1.45 0.00 0.00 58.65 57.63 2ava h GLN 68 Cb 1.92 0.13 -0.01 0.00 -0.05 0.00 0.00 27.48 29.47 2ava h GLN 68 CO -0.09 -0.38 -0.57 0.37 -0.95 0.00 0.00 178.83 177.21 2ava h GLN 69 N -0.60 0.45 0.06 1.46 4.15 -1.45 -3.14 115.11 116.06 2ava h GLN 69 Ca 0.03 -0.29 0.02 0.00 0.77 0.00 0.00 58.65 59.18 2ava h GLN 69 Cb 0.63 0.04 -0.03 0.00 0.21 0.00 0.00 27.48 28.32 2ava h GLN 69 CO -0.22 0.90 -0.22 0.00 -1.93 0.00 0.00 178.83 177.35 2ava h ALA 70 N 1.04 -0.34 -0.81 3.38 0.00 -0.80 -1.02 119.26 120.71 2ava h ALA 70 Ca 0.00 -0.02 0.08 0.00 0.00 0.00 0.00 54.91 54.98 2ava h ALA 70 Cb 1.10 0.38 -0.07 0.00 0.00 0.00 0.00 17.79 19.19 2ava h ALA 70 CO 0.10 -0.74 0.47 0.00 0.00 0.00 0.00 179.25 179.08 2ava h ALA 71 N 0.43 1.14 -0.86 0.00 0.00 -1.00 -1.46 119.26 117.50 2ava h ALA 71 Ca 0.04 0.02 0.01 0.00 0.00 0.00 0.00 54.91 54.98 2ava h ALA 71 Cb 0.44 -0.15 -0.04 0.00 0.00 0.00 0.00 17.79 18.04 2ava h ALA 71 CO -0.16 0.12 0.56 0.22 0.00 0.00 0.00 179.25 179.99 2ava h ASP 72 N 0.81 1.00 0.64 0.00 1.82 -1.37 -1.70 116.42 117.62 2ava h ASP 72 Ca 0.38 -0.03 -0.03 0.00 -0.39 0.00 0.00 57.03 56.95 2ava h ASP 72 Cb 0.30 -0.25 0.01 0.00 0.68 0.00 0.00 39.33 40.07 2ava h ASP 72 CO -0.22 0.73 -0.31 0.58 -1.61 0.00 0.00 179.24 178.41 2ava h VAL 73 N 1.17 0.32 -0.84 2.25 2.07 -0.20 -2.84 116.25 118.17 2ava h VAL 73 Ca 0.31 -0.17 0.19 0.00 0.82 0.00 0.00 66.70 67.85 2ava h VAL 73 Cb -0.12 0.37 -0.06 0.00 -1.52 0.00 0.00 31.29 29.97 2ava h VAL 73 CO -0.07 0.02 0.56 0.40 0.02 0.00 0.00 177.57 178.51 2ava h ILE 74 N -0.98 0.71 0.08 4.57 5.03 -1.25 -1.74 117.51 123.93 2ava h ILE 74 Ca -0.09 -0.13 0.02 0.00 -0.12 0.00 0.00 64.86 64.54 2ava h ILE 74 Cb 0.69 0.30 -0.04 0.00 -3.03 0.00 0.00 36.82 34.74 2ava h ILE 74 CO 0.14 0.07 -0.26 -0.33 -0.68 0.00 0.00 178.15 177.10 2ava h GLU 75 N 0.38 -0.43 0.00 2.37 5.08 -1.07 0.32 114.58 121.23 2ava h GLU 75 Ca 0.43 0.03 -0.00 0.00 -1.00 0.00 0.00 59.36 58.81 2ava h GLU 75 Cb 1.08 0.10 -0.00 0.00 0.50 0.00 0.00 28.75 30.43 2ava h GLU 75 CO -0.14 -0.29 -0.01 0.78 -1.00 0.00 0.00 179.01 178.35 2ava h GLY 76 N -0.44 0.00 1.22 -3.84 0.00 -1.22 -0.82 103.07 97.97 2ava h GLY 76 Ca 0.04 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.37 2ava h GLY 76 CO -0.17 0.00 -0.58 1.04 0.00 0.00 0.00 176.54 176.83 2ava n LEU 77 N -3.19 0.71 -0.18 3.11 4.77 -0.39 -3.58 117.00 118.25 2ava n LEU 77 Ca -0.02 0.26 0.12 0.00 -0.03 0.00 0.00 56.01 56.34 2ava n LEU 77 Cb 0.15 -0.19 0.23 0.00 -2.33 0.00 0.00 43.42 41.28 2ava n LEU 77 CO 0.23 -0.07 0.46 0.18 -1.33 0.00 0.00 177.39 176.87 2ava n LEU 78 N -2.13 1.02 -0.05 2.23 4.77 -0.04 -3.15 117.00 119.66 2ava n LEU 78 Ca 0.03 -0.29 -0.16 0.00 -0.03 0.00 0.00 56.01 55.57 2ava n LEU 78 Cb 0.44 -0.13 -0.06 0.00 -2.33 0.00 0.00 43.42 41.35 2ava n LEU 78 CO 0.36 0.21 0.35 -0.33 -1.33 0.00 0.00 177.39 176.64 2ava h GLU 79 N 0.91 0.84 -0.10 3.23 5.08 -1.57 -3.28 114.58 119.69 2ava h GLU 79 Ca 0.00 -0.61 -0.02 0.00 -1.00 0.00 0.00 59.36 57.73 2ava h GLU 79 Cb 0.54 0.10 -0.01 0.00 0.50 0.00 0.00 28.75 29.88 2ava h GLU 79 CO 0.00 1.23 -0.07 0.36 -1.00 0.00 0.00 179.01 179.53 2ava n LYS 80 N -3.97 1.82 -1.03 2.33 -0.00 -1.26 -4.90 118.16 111.15 2ava n LYS 80 Ca -0.06 -2.79 -0.39 0.00 -0.00 0.00 0.00 58.31 55.06 2ava n LYS 80 Cb 0.69 -1.64 -0.05 0.00 -0.00 0.00 0.00 35.03 34.03 2ava n LYS 80 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.40 177.76 2ava n LYS 81 N -1.12 1.48 0.00 -1.58 2.85 -1.19 -5.02 118.16 113.59 2ava n LYS 81 Ca 0.19 -1.71 0.00 0.00 -1.05 0.00 0.00 58.31 55.74 2ava n LYS 81 Cb 0.75 -2.80 0.00 0.00 -0.65 0.00 0.00 35.03 32.33 2ava n LYS 81 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35