#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 3.76 0.39 0.00 1.02 -1.26 -4.82 119.74 118.82 2ava s LYS 2 Ca 0.00 1.72 0.14 0.00 0.02 0.00 0.00 55.97 57.85 2ava s LYS 2 Cb 0.00 -2.37 0.98 0.00 -0.52 0.00 0.00 37.83 35.93 2ava s LYS 2 CO 0.00 -0.54 1.83 0.87 -0.92 0.00 0.00 175.35 176.59 2ava h LYS 3 N 1.99 0.50 -0.85 1.68 1.57 -2.02 0.90 116.57 120.33 2ava h LYS 3 Ca -0.49 -0.03 0.05 0.00 -1.87 0.00 0.00 60.65 58.31 2ava h LYS 3 Cb 1.24 -0.11 -0.06 0.00 0.08 0.00 0.00 32.23 33.38 2ava h LYS 3 CO 0.60 0.33 0.53 1.05 -0.57 0.00 0.00 179.45 181.39 2ava h GLU 4 N 0.51 0.96 0.05 3.15 4.11 -2.00 0.65 114.58 122.02 2ava h GLU 4 Ca 0.50 -0.06 -0.26 0.00 0.07 0.00 0.00 59.36 59.61 2ava h GLU 4 Cb 1.10 -0.22 0.02 0.00 0.50 0.00 0.00 28.75 30.15 2ava h GLU 4 CO -0.23 0.64 -1.10 1.15 0.07 0.00 0.00 179.01 179.54 2ava h THR 5 N 0.99 1.34 -0.83 -1.06 2.02 -1.26 -2.87 112.91 111.25 2ava h THR 5 Ca 0.36 -2.47 -0.04 0.00 0.77 0.00 0.00 66.41 65.04 2ava h THR 5 Cb 0.13 2.55 -0.04 0.00 -1.74 0.00 0.00 68.15 69.05 2ava h THR 5 CO -0.16 0.74 0.38 0.40 0.37 0.00 0.00 175.52 177.26 2ava h ILE 6 N 0.27 1.26 -0.28 3.11 2.04 -0.68 -1.26 117.51 121.97 2ava h ILE 6 Ca -0.13 -0.76 -0.14 0.00 1.00 0.00 0.00 64.86 64.83 2ava h ILE 6 Cb 1.76 0.22 -0.01 0.00 -0.74 0.00 0.00 36.82 38.04 2ava h ILE 6 CO 0.20 0.32 -0.38 0.44 0.00 0.00 0.00 178.15 178.73 2ava h ASP 7 N 1.19 0.69 0.25 1.72 5.19 -0.94 -2.42 116.42 122.10 2ava h ASP 7 Ca 0.28 -0.30 -0.01 0.00 -0.62 0.00 0.00 57.03 56.38 2ava h ASP 7 Cb 0.15 -0.19 0.00 0.00 0.18 0.00 0.00 39.33 39.47 2ava h ASP 7 CO -0.03 1.00 -0.12 0.11 -3.12 0.00 0.00 179.24 177.08 2ava h LYS 8 N 0.54 -0.32 -0.45 3.56 1.79 -1.23 -2.71 116.57 117.75 2ava h LYS 8 Ca 0.05 0.02 0.06 0.00 -2.18 0.00 0.00 60.65 58.60 2ava h LYS 8 Cb 0.90 0.07 -0.05 0.00 -1.58 0.00 0.00 32.23 31.57 2ava h LYS 8 CO 0.08 -0.03 0.13 0.28 -1.08 0.00 0.00 179.45 178.83 2ava h VAL 9 N -0.62 0.82 -0.34 0.50 2.07 -1.27 -0.27 116.25 117.14 2ava h VAL 9 Ca -0.03 -0.10 0.10 0.00 0.82 0.00 0.00 66.70 67.49 2ava h VAL 9 Cb 0.44 0.51 -0.01 0.00 -1.52 0.00 0.00 31.29 30.71 2ava h VAL 9 CO 0.06 0.05 0.27 0.28 0.02 0.00 0.00 177.57 178.25 2ava h SER 10 N 0.29 0.00 -0.12 0.57 0.02 -1.42 -1.39 113.55 111.49 2ava h SER 10 Ca 0.21 0.00 -0.10 0.00 -0.84 0.00 0.00 61.79 61.06 2ava h SER 10 Cb 0.23 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.78 2ava h SER 10 CO -0.24 0.00 -0.32 -0.78 -1.14 0.00 0.00 176.83 174.35 2ava h ASP 11 N 0.00 0.49 -0.98 3.07 3.58 -0.72 -3.03 116.42 118.82 2ava h ASP 11 Ca 0.16 -0.59 0.19 0.00 0.42 0.00 0.00 57.03 57.22 2ava h ASP 11 Cb 0.70 -0.14 -0.09 0.00 1.72 0.00 0.00 39.33 41.51 2ava h ASP 11 CO -0.00 0.99 0.61 0.40 -2.88 0.00 0.00 179.24 178.36 2ava h ILE 12 N 0.01 0.71 -0.41 2.25 5.03 -0.80 0.44 117.51 124.75 2ava h ILE 12 Ca -0.01 -0.23 -0.10 0.00 -0.12 0.00 0.00 64.86 64.40 2ava h ILE 12 Cb 0.93 -0.02 -0.01 0.00 -3.03 0.00 0.00 36.82 34.68 2ava h ILE 12 CO 0.07 0.12 -0.15 0.58 -0.68 0.00 0.00 178.15 178.09 2ava h VAL 13 N 0.68 1.28 -0.63 1.67 2.07 -1.51 -3.02 116.25 116.78 2ava h VAL 13 Ca 0.54 -1.27 -0.08 0.00 0.82 0.00 0.00 66.70 66.72 2ava h VAL 13 Cb 0.95 1.24 -0.03 0.00 -1.52 0.00 0.00 31.29 31.94 2ava h VAL 13 CO -0.31 0.43 0.09 0.11 0.02 0.00 0.00 177.57 177.90 2ava h LYS 14 N 0.64 1.05 0.00 1.57 1.57 -0.92 -2.37 116.57 118.10 2ava h LYS 14 Ca 0.10 -0.28 -0.00 0.00 -1.87 0.00 0.00 60.65 58.60 2ava h LYS 14 Cb 0.69 -0.12 -0.00 0.00 0.08 0.00 0.00 32.23 32.88 2ava h LYS 14 CO 0.05 0.97 -0.01 0.93 -0.57 0.00 0.00 179.45 180.82 2ava h GLU 15 N 0.98 0.00 0.05 3.15 4.39 -0.91 0.44 114.58 122.67 2ava h GLU 15 Ca 0.19 0.00 0.03 0.00 0.34 0.00 0.00 59.36 59.92 2ava h GLU 15 Cb 0.44 0.00 -0.04 0.00 -0.10 0.00 0.00 28.75 29.05 2ava h GLU 15 CO 0.01 0.01 -0.29 0.87 -1.16 0.00 0.00 179.01 178.45 2ava h LYS 16 N 0.00 -0.44 -0.23 2.33 1.79 -1.30 -2.99 116.57 115.72 2ava h LYS 16 Ca -0.00 0.03 -0.07 0.00 -2.18 0.00 0.00 60.65 58.43 2ava h LYS 16 Cb 0.01 0.10 -0.04 0.00 -1.58 0.00 0.00 32.23 30.72 2ava h LYS 16 CO 0.00 -0.30 -0.07 1.47 -1.08 0.00 0.00 179.45 179.48 2ava n LEU 17 N -5.39 3.64 -2.94 2.94 -0.00 -1.04 -5.02 117.00 109.18 2ava n LEU 17 Ca -0.06 -3.40 -0.09 0.00 -0.00 0.00 0.00 56.01 52.47 2ava n LEU 17 Cb 0.31 -0.56 0.01 0.00 -0.00 0.00 0.00 43.42 43.17 2ava n LEU 17 CO 0.22 0.96 -0.27 0.00 -0.00 0.00 0.00 177.39 178.31 2ava n ALA 18 N -0.96 -2.95 -3.94 1.47 0.00 0.11 -5.05 120.51 109.20 2ava n ALA 18 Ca 0.25 0.66 -0.11 0.00 0.00 0.00 0.00 53.44 54.24 2ava n ALA 18 Cb 0.89 -2.15 -0.03 0.00 0.00 0.00 0.00 19.45 18.17 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 0.29 0.00 0.00 0.00 4.32 0.98 -4.88 117.00 117.71 2ava n LEU 19 Ca 0.03 -1.26 0.00 0.00 -0.02 0.00 0.00 56.01 54.76 2ava n LEU 19 Cb 0.33 0.37 0.00 0.00 -1.62 0.00 0.00 43.42 42.51 2ava n LEU 19 CO 0.42 -0.19 0.00 0.61 -1.22 0.00 0.00 177.39 177.00 2ava n GLY 20 N 1.32 0.53 0.01 -0.72 0.00 -1.26 -4.72 105.19 100.35 2ava n GLY 20 Ca -0.03 0.00 -0.00 0.00 0.00 0.00 0.00 46.02 45.98 2ava n GLY 20 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2ava h ALA 21 N 0.00 0.00 -0.17 4.61 0.00 -2.00 -3.42 119.26 118.28 2ava h ALA 21 Ca 0.00 -0.13 -0.09 0.00 0.00 0.00 0.00 54.91 54.70 2ava h ALA 21 Cb 0.00 0.03 -0.05 0.00 0.00 0.00 0.00 17.79 17.77 2ava h ALA 21 CO 0.00 0.03 -0.28 -0.25 0.00 0.00 0.00 179.25 178.75 2ava n ASP 22 N -2.42 2.12 -4.33 0.00 8.00 -1.26 -5.01 116.55 113.65 2ava n ASP 22 Ca -0.00 -3.81 -0.26 0.00 0.71 0.00 0.00 54.79 51.42 2ava n ASP 22 Cb 0.01 -0.58 -0.13 0.00 -0.02 0.00 0.00 41.12 40.41 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 -3.23 1.95 0.05 2.53 1.01 -1.26 -5.13 120.40 116.32 2ava s VAL 23 Ca 0.41 -1.61 -0.20 0.00 0.00 0.00 0.00 61.98 60.58 2ava s VAL 23 Cb 0.38 -1.74 -0.06 0.00 0.00 0.00 0.00 36.38 34.96 2ava s VAL 23 CO -0.03 0.03 0.59 0.54 0.00 0.00 0.00 175.10 176.23 2ava s VAL 24 N -1.09 4.78 -0.13 2.92 0.11 -1.26 -4.64 120.40 121.09 2ava s VAL 24 Ca 0.10 1.26 -0.14 0.00 -2.93 0.00 0.00 61.98 60.26 2ava s VAL 24 Cb -0.10 -3.92 -0.05 0.00 -1.53 0.00 0.00 36.38 30.78 2ava s VAL 24 CO 0.05 0.51 0.33 0.54 -3.33 0.00 0.00 175.10 173.19 2ava s VAL 25 N -0.80 5.26 0.01 2.04 0.11 -1.26 -5.05 120.40 120.71 2ava s VAL 25 Ca 0.30 0.63 -0.01 0.00 -2.93 0.00 0.00 61.98 59.97 2ava s VAL 25 Cb -0.19 -3.66 -0.01 0.00 -1.53 0.00 0.00 36.38 30.98 2ava s VAL 25 CO 0.19 0.41 0.00 0.42 -3.33 0.00 0.00 175.10 172.79 2ava s THR 26 N 0.23 0.09 -0.62 5.04 -4.23 -1.26 -5.03 115.64 109.86 2ava s THR 26 Ca 0.19 -0.76 0.24 0.00 -1.18 0.00 0.00 61.69 60.18 2ava s THR 26 Cb -0.14 -0.26 0.14 0.00 1.34 0.00 0.00 72.50 73.58 2ava s THR 26 CO 0.06 -0.42 1.45 0.00 -0.54 0.00 0.00 174.62 175.17 2ava h ALA 27 N 4.78 0.73 0.00 3.99 0.00 -1.95 -3.24 119.26 123.57 2ava h ALA 27 Ca -0.31 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.60 2ava h ALA 27 Cb 1.21 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.00 2ava h ALA 27 CO 0.42 0.00 -0.53 -0.40 0.00 0.00 0.00 179.25 178.74 2ava n ASP 28 N -2.28 0.70 -4.56 0.00 5.68 -1.26 -0.26 116.55 114.57 2ava n ASP 28 Ca 0.04 0.17 -0.28 0.00 -0.50 0.00 0.00 54.79 54.21 2ava n ASP 28 Cb 0.45 0.03 -0.05 0.00 -1.14 0.00 0.00 41.12 40.42 2ava n ASP 28 CO 0.00 0.00 0.00 -0.55 -1.33 0.00 0.00 177.20 175.32 2ava s SER 29 N -4.19 4.74 -0.25 -1.12 0.15 -1.23 -4.74 113.70 107.06 2ava s SER 29 Ca 0.07 0.07 -0.36 0.00 0.70 0.00 0.00 55.95 56.43 2ava s SER 29 Cb 0.13 -2.54 -0.12 0.00 -1.71 0.00 0.00 66.02 61.79 2ava s SER 29 CO 0.70 -2.96 2.00 -0.62 1.20 0.00 0.00 173.24 173.56 2ava n GLU 30 N 8.96 1.49 0.15 5.44 1.02 -1.26 -4.09 120.64 132.35 2ava n GLU 30 Ca 0.36 0.49 0.01 0.00 -0.02 0.00 0.00 57.16 58.00 2ava n GLU 30 Cb 0.49 -2.49 0.31 0.00 -0.02 0.00 0.00 31.44 29.73 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 10.44 0.09 -3.31 -0.32 -0.00 -1.90 -3.42 116.94 118.53 2ava h PHE 31 Ca -0.39 -0.02 -0.40 0.00 -0.00 0.00 0.00 57.97 57.16 2ava h PHE 31 Cb 1.30 -0.02 -0.38 0.00 -0.00 0.00 0.00 35.95 36.85 2ava h PHE 31 CO 0.89 0.46 -0.75 0.45 -0.00 0.00 0.00 178.31 179.36 2ava s SER 32 N -6.91 1.26 -0.16 -0.68 0.15 -1.26 -5.04 113.70 101.05 2ava s SER 32 Ca -0.03 -0.01 -0.16 0.00 0.70 0.00 0.00 55.95 56.44 2ava s SER 32 Cb 0.14 -0.30 -0.05 0.00 -1.71 0.00 0.00 66.02 64.10 2ava s SER 32 CO 0.74 -0.20 -0.31 0.29 1.20 0.00 0.00 173.24 174.96 2ava n LYS 33 N 5.06 0.48 -0.61 5.44 5.02 -1.26 -4.67 118.16 127.61 2ava n LYS 33 Ca -0.08 0.20 0.04 0.00 -2.02 0.00 0.00 58.31 56.45 2ava n LYS 33 Cb 0.50 -1.35 0.26 0.00 -0.02 0.00 0.00 35.03 34.43 2ava n LYS 33 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 2ava n LEU 34 N -4.27 4.35 -3.77 -0.35 7.99 -1.26 -4.79 117.00 114.88 2ava n LEU 34 Ca -0.12 -3.18 -0.42 0.00 -0.01 0.00 0.00 56.01 52.28 2ava n LEU 34 Cb 0.46 -0.60 0.01 0.00 -0.11 0.00 0.00 43.42 43.18 2ava n LEU 34 CO 0.19 0.79 1.72 0.61 -1.51 0.00 0.00 177.39 179.19 2ava n GLY 35 N -0.51 5.26 0.05 -0.72 0.00 -1.26 -4.51 105.19 103.50 2ava n GLY 35 Ca 0.27 -2.35 -0.00 0.00 0.00 0.00 0.00 46.02 43.93 2ava n GLY 35 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2ava n ALA 36 N 1.87 2.07 -0.01 4.61 0.00 -1.26 -4.63 120.51 123.15 2ava n ALA 36 Ca 0.42 -0.76 -0.00 0.00 0.00 0.00 0.00 53.44 53.10 2ava n ALA 36 Cb 0.31 -0.31 -0.03 0.00 0.00 0.00 0.00 19.45 19.41 2ava n ALA 36 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 2ava n ASP 37 N -2.36 4.01 -3.74 0.00 2.03 -1.26 -5.00 116.55 110.22 2ava n ASP 37 Ca -0.16 0.00 -0.27 0.00 0.52 0.00 0.00 54.79 54.88 2ava n ASP 37 Cb 0.76 0.87 0.24 0.00 -0.72 0.00 0.00 41.12 42.27 2ava n ASP 37 CO 0.00 0.00 0.00 -1.54 -1.92 0.00 0.00 177.20 173.74 2ava n SER 38 N -1.92 -3.16 -0.00 1.67 3.41 -1.26 -4.95 113.62 107.40 2ava n SER 38 Ca -0.04 -0.51 0.09 0.00 -0.26 0.00 0.00 58.87 58.15 2ava n SER 38 Cb 0.40 -1.00 -0.13 0.00 -0.26 0.00 0.00 64.21 63.22 2ava n SER 38 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2ava n LEU 39 N -4.01 0.53 -0.27 1.04 -0.00 -1.26 -4.39 117.00 108.65 2ava n LEU 39 Ca 0.07 -0.29 0.18 0.00 -0.00 0.00 0.00 56.01 55.97 2ava n LEU 39 Cb 0.53 0.00 0.47 0.00 -0.00 0.00 0.00 43.42 44.43 2ava n LEU 39 CO 0.42 0.13 1.22 0.44 -0.00 0.00 0.00 177.39 179.60 2ava h ASP 40 N 0.00 0.49 -0.76 1.45 3.32 -1.95 0.16 116.42 119.12 2ava h ASP 40 Ca 0.00 0.05 0.05 0.00 0.02 0.00 0.00 57.03 57.16 2ava h ASP 40 Cb 0.64 -0.03 -0.06 0.00 0.22 0.00 0.00 39.33 40.11 2ava h ASP 40 CO 0.00 0.18 0.46 0.74 -1.72 0.00 0.00 179.24 178.91 2ava h THR 41 N 0.48 1.03 -0.79 0.35 2.02 -1.86 -1.22 112.91 112.93 2ava h THR 41 Ca 0.50 -0.29 0.19 0.00 0.77 0.00 0.00 66.41 67.58 2ava h THR 41 Cb 1.14 0.10 -0.05 0.00 -1.74 0.00 0.00 68.15 67.60 2ava h THR 41 CO -0.22 0.16 0.54 0.58 0.37 0.00 0.00 175.52 176.94 2ava h VAL 42 N 0.86 0.69 0.02 3.16 2.07 -1.25 0.03 116.25 121.83 2ava h VAL 42 Ca 0.33 -0.08 -0.00 0.00 0.82 0.00 0.00 66.70 67.77 2ava h VAL 42 Cb 0.14 0.43 0.00 0.00 -1.52 0.00 0.00 31.29 30.34 2ava h VAL 42 CO -0.16 0.04 -0.01 -0.33 0.02 0.00 0.00 177.57 177.14 2ava h GLU 43 N 0.24 -0.02 0.30 1.57 4.39 -1.26 -2.08 114.58 117.72 2ava h GLU 43 Ca 0.39 0.00 -0.01 0.00 0.34 0.00 0.00 59.36 60.08 2ava h GLU 43 Cb 1.17 0.01 0.00 0.00 -0.10 0.00 0.00 28.75 29.82 2ava h GLU 43 CO -0.09 0.51 -0.16 0.82 -1.16 0.00 0.00 179.01 178.93 2ava h ILE 44 N -0.57 0.67 -0.48 3.13 1.08 -1.10 -1.24 117.51 119.00 2ava h ILE 44 Ca -0.00 0.00 0.07 0.00 -0.39 0.00 0.00 64.86 64.54 2ava h ILE 44 Cb 0.54 0.67 -0.03 0.00 -3.07 0.00 0.00 36.82 34.94 2ava h ILE 44 CO 0.00 0.00 0.32 1.62 -0.69 0.00 0.00 178.15 179.41 2ava h VAL 45 N -0.43 0.94 -0.22 1.67 3.04 -1.13 -1.87 116.25 118.25 2ava h VAL 45 Ca -0.04 -0.12 -0.06 0.00 -1.01 0.00 0.00 66.70 65.47 2ava h VAL 45 Cb 0.34 0.55 -0.01 0.00 -2.01 0.00 0.00 31.29 30.16 2ava h VAL 45 CO 0.05 0.07 -0.10 0.24 -1.01 0.00 0.00 177.57 176.82 2ava h MET 46 N 0.36 0.45 0.24 4.17 2.86 -0.87 -0.50 114.93 121.65 2ava h MET 46 Ca 0.21 -0.20 -0.00 0.00 -2.06 0.00 0.00 59.70 57.66 2ava h MET 46 Cb 0.38 -0.01 -0.01 0.00 0.06 0.00 0.00 31.60 32.01 2ava h MET 46 CO -0.05 0.73 -0.20 -0.91 1.06 0.00 0.00 176.91 177.54 2ava h ASN 47 N 0.16 -0.52 0.29 1.22 4.21 -0.46 0.29 115.58 120.77 2ava h ASN 47 Ca 0.05 0.04 -0.01 0.00 1.21 0.00 0.00 56.30 57.59 2ava h ASN 47 Cb 0.60 0.17 0.00 0.00 -1.12 0.00 0.00 38.32 37.97 2ava h ASN 47 CO 0.03 -0.30 -0.14 -0.07 -1.29 0.00 0.00 177.43 175.66 2ava h LEU 48 N -0.45 -0.33 -2.01 1.61 3.38 -1.46 0.21 115.31 116.25 2ava h LEU 48 Ca -0.01 -0.04 0.07 0.00 0.09 0.00 0.00 57.88 57.99 2ava h LEU 48 Cb 0.41 0.09 -0.01 0.00 0.09 0.00 0.00 40.66 41.23 2ava h LEU 48 CO -0.02 -0.18 0.17 -0.08 0.09 0.00 0.00 178.44 178.43 2ava h GLU 49 N -0.46 0.00 0.11 1.13 4.81 -1.01 0.12 114.58 119.28 2ava h GLU 49 Ca -0.04 0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 59.18 2ava h GLU 49 Cb 0.35 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.73 2ava h GLU 49 CO 0.07 0.00 -0.05 1.49 -0.73 0.00 0.00 179.01 179.78 2ava h GLU 50 N 0.00 -0.14 -0.45 1.92 4.81 0.08 0.98 114.58 121.78 2ava h GLU 50 Ca 0.11 0.01 0.07 0.00 -0.13 0.00 0.00 59.36 59.42 2ava h GLU 50 Cb 0.46 0.03 -0.06 0.00 0.63 0.00 0.00 28.75 29.81 2ava h GLU 50 CO -0.00 -0.02 0.09 1.49 -0.73 0.00 0.00 179.01 179.85 2ava h GLU 51 N -1.03 0.22 0.00 1.92 4.57 -0.41 -0.02 114.58 119.84 2ava h GLU 51 Ca -0.01 -0.01 0.00 0.00 -1.18 0.00 0.00 59.36 58.15 2ava h GLU 51 Cb 0.19 -0.05 0.00 0.00 -0.16 0.00 0.00 28.75 28.73 2ava h GLU 51 CO 0.02 0.15 -0.05 1.19 -1.18 0.00 0.00 179.01 179.14 2ava n PHE 52 N -5.10 0.37 -3.16 0.92 3.72 0.42 -4.92 117.46 109.71 2ava n PHE 52 Ca 0.04 0.11 -0.22 0.00 -0.05 0.00 0.00 57.45 57.32 2ava n PHE 52 Cb 0.21 -0.66 0.01 0.00 -0.94 0.00 0.00 39.48 38.10 2ava n PHE 52 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2ava n GLY 53 N 1.42 -0.50 2.16 1.37 0.00 0.22 -4.97 105.19 104.89 2ava n GLY 53 Ca 0.06 0.11 -0.12 0.00 0.00 0.00 0.00 46.02 46.07 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 -4.19 0.00 -4.01 -0.61 -5.35 -0.48 -4.34 119.36 100.38 2ava n ILE 54 Ca -0.07 -0.92 -0.31 0.00 -0.27 0.00 0.00 62.75 61.18 2ava n ILE 54 Cb 0.58 -1.02 -0.15 0.00 -1.74 0.00 0.00 39.64 37.32 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 -3.20 4.73 0.16 7.28 6.03 -1.26 -4.81 114.94 123.87 2ava s ASN 55 Ca 0.36 -2.24 0.06 0.00 -1.03 0.00 0.00 52.86 50.02 2ava s ASN 55 Cb -0.02 -1.63 -0.04 0.00 -3.03 0.00 0.00 41.25 36.53 2ava s ASN 55 CO 0.24 -0.37 0.03 -0.69 -2.03 0.00 0.00 177.10 174.28 2ava s VAL 56 N 0.79 3.95 0.22 3.54 1.01 -1.26 -5.03 120.40 123.62 2ava s VAL 56 Ca 0.12 -1.29 0.11 0.00 0.00 0.00 0.00 61.98 60.91 2ava s VAL 56 Cb -0.20 -2.98 -0.04 0.00 0.00 0.00 0.00 36.38 33.16 2ava s VAL 56 CO -0.07 -0.08 -0.17 -0.62 0.00 0.00 0.00 175.10 174.16 2ava s ASP 57 N -2.91 3.81 0.40 3.32 2.15 -1.26 -5.01 116.67 117.16 2ava s ASP 57 Ca 0.28 -0.80 0.10 0.00 0.43 0.00 0.00 52.55 52.55 2ava s ASP 57 Cb -0.10 -0.45 0.90 0.00 -0.30 0.00 0.00 42.92 42.97 2ava s ASP 57 CO 0.20 0.08 1.99 1.05 -0.17 0.00 0.00 175.17 178.32 2ava h GLU 58 N 2.77 0.54 0.00 4.34 4.11 -2.01 0.33 114.58 124.66 2ava h GLU 58 Ca -0.45 -0.03 0.00 0.00 0.07 0.00 0.00 59.36 58.95 2ava h GLU 58 Cb 1.22 -0.12 0.00 0.00 0.50 0.00 0.00 28.75 30.35 2ava h GLU 58 CO 0.54 0.36 0.00 0.22 0.07 0.00 0.00 179.01 180.19 2ava h ASP 59 N 0.56 0.00 -0.01 3.06 1.82 -2.00 -2.39 116.42 117.45 2ava h ASP 59 Ca 0.26 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.90 2ava h ASP 59 Cb 0.31 0.00 0.00 0.00 0.68 0.00 0.00 39.33 40.32 2ava h ASP 59 CO -0.08 0.00 -0.52 1.17 -1.61 0.00 0.00 179.24 178.20 2ava n LYS 60 N -3.01 1.25 -0.41 0.28 3.00 0.34 -4.29 118.16 115.32 2ava n LYS 60 Ca 0.02 -0.75 0.07 0.00 -0.00 0.00 0.00 58.31 57.66 2ava n LYS 60 Cb 0.41 -1.40 0.14 0.00 0.00 0.00 0.00 35.03 34.18 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 -0.34 2.75 -0.04 3.14 0.00 0.88 -4.68 120.51 122.22 2ava n ALA 61 Ca 0.07 -2.69 -0.05 0.00 0.00 0.00 0.00 53.44 50.77 2ava n ALA 61 Cb 0.40 -0.41 -0.03 0.00 0.00 0.00 0.00 19.45 19.40 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 -1.03 0.47 -1.55 0.00 -0.00 -0.92 -4.69 117.38 109.66 2ava n GLN 62 Ca 0.15 0.04 -0.32 0.00 -0.00 0.00 0.00 57.00 56.86 2ava n GLN 62 Cb 0.70 -1.15 0.06 0.00 -0.00 0.00 0.00 30.24 29.86 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 -2.66 6.93 -4.81 2.61 2.03 -1.26 -4.77 116.55 114.62 2ava n ASP 63 Ca -0.13 -3.78 -0.38 0.00 0.52 0.00 0.00 54.79 51.02 2ava n ASP 63 Cb 0.64 -0.81 -0.06 0.00 -0.72 0.00 0.00 41.12 40.18 2ava n ASP 63 CO 0.00 0.00 0.00 -0.63 -1.92 0.00 0.00 177.20 174.65 2ava s ILE 64 N -4.79 4.67 0.03 5.18 -1.09 -1.26 -5.08 121.20 118.86 2ava s ILE 64 Ca 0.61 1.26 -0.00 0.00 -2.23 0.00 0.00 60.65 60.28 2ava s ILE 64 Cb 0.48 -3.91 0.01 0.00 -1.58 0.00 0.00 42.46 37.45 2ava s ILE 64 CO -0.01 0.48 0.04 -0.24 -1.23 0.00 0.00 174.94 173.98 2ava n SER 65 N 1.48 0.01 -3.67 3.58 2.88 -1.26 -4.94 113.62 111.71 2ava n SER 65 Ca -0.08 -1.02 -0.22 0.00 -1.33 0.00 0.00 58.87 56.22 2ava n SER 65 Cb 0.51 -0.03 0.17 0.00 -0.75 0.00 0.00 64.21 64.10 2ava n SER 65 CO 0.00 0.00 0.00 1.07 -1.23 0.00 0.00 175.04 174.88 2ava n THR 66 N -1.91 0.00 -0.30 2.46 5.66 -1.26 -4.06 114.28 114.88 2ava n THR 66 Ca 0.01 -0.08 0.31 0.00 -3.05 0.00 0.00 64.05 61.23 2ava n THR 66 Cb 0.02 -0.57 0.68 0.00 -1.55 0.00 0.00 70.33 68.91 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 -2.70 0.46 0.09 1.09 2.04 -1.63 -0.61 117.51 116.25 2ava h ILE 67 Ca -0.31 -0.04 0.02 0.00 1.00 0.00 0.00 64.86 65.53 2ava h ILE 67 Cb 0.93 0.34 -0.04 0.00 -0.74 0.00 0.00 36.82 37.31 2ava h ILE 67 CO 0.20 0.02 -0.35 1.56 0.00 0.00 0.00 178.15 179.58 2ava h GLN 68 N 0.11 -0.54 -0.05 2.37 1.08 -0.92 -0.78 115.11 116.39 2ava h GLN 68 Ca 0.55 0.04 -0.17 0.00 -1.45 0.00 0.00 58.65 57.62 2ava h GLN 68 Cb 1.97 0.12 -0.01 0.00 -0.05 0.00 0.00 27.48 29.51 2ava h GLN 68 CO -0.09 -0.36 -0.72 0.37 -0.95 0.00 0.00 178.83 177.08 2ava h GLN 69 N -0.56 0.26 -0.81 1.46 4.15 -1.43 -3.11 115.11 115.08 2ava h GLN 69 Ca 0.04 -0.22 0.10 0.00 0.77 0.00 0.00 58.65 59.33 2ava h GLN 69 Cb 0.60 0.05 -0.07 0.00 0.21 0.00 0.00 27.48 28.27 2ava h GLN 69 CO -0.23 0.88 0.46 0.00 -1.93 0.00 0.00 178.83 178.01 2ava h ALA 70 N 1.06 1.15 -0.33 3.38 0.00 -0.73 -0.92 119.26 122.88 2ava h ALA 70 Ca -0.02 0.04 -0.13 0.00 0.00 0.00 0.00 54.91 54.79 2ava h ALA 70 Cb 1.28 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.95 2ava h ALA 70 CO 0.11 0.08 -0.30 0.00 0.00 0.00 0.00 179.25 179.14 2ava h ALA 71 N 1.45 0.47 -0.43 0.00 0.00 -1.15 -2.78 119.26 116.83 2ava h ALA 71 Ca 0.39 -0.41 0.04 0.00 0.00 0.00 0.00 54.91 54.93 2ava h ALA 71 Cb 0.37 -0.10 -0.04 0.00 0.00 0.00 0.00 17.79 18.02 2ava h ALA 71 CO -0.25 0.50 0.21 -0.44 0.00 0.00 0.00 179.25 179.27 2ava h ASP 72 N 0.55 0.29 0.46 0.00 3.32 -1.30 -1.26 116.42 118.49 2ava h ASP 72 Ca 0.06 0.03 -0.02 0.00 0.02 0.00 0.00 57.03 57.11 2ava h ASP 72 Cb 0.87 -0.03 -0.00 0.00 0.22 0.00 0.00 39.33 40.39 2ava h ASP 72 CO 0.08 0.21 -0.26 0.58 -1.72 0.00 0.00 179.24 178.12 2ava h VAL 73 N 0.42 0.45 -0.98 -1.35 2.07 -1.19 -2.63 116.25 113.04 2ava h VAL 73 Ca 0.19 0.00 0.16 0.00 0.82 0.00 0.00 66.70 67.87 2ava h VAL 73 Cb 0.10 0.45 -0.09 0.00 -1.52 0.00 0.00 31.29 30.23 2ava h VAL 73 CO -0.14 0.00 0.61 0.40 0.02 0.00 0.00 177.57 178.47 2ava h ILE 74 N -0.68 0.78 -0.40 4.57 2.04 -1.31 -1.50 117.51 121.02 2ava h ILE 74 Ca -0.06 -0.27 0.08 0.00 1.00 0.00 0.00 64.86 65.61 2ava h ILE 74 Cb 0.55 -0.08 -0.08 0.00 -0.74 0.00 0.00 36.82 36.47 2ava h ILE 74 CO 0.07 0.15 -0.13 -0.33 0.00 0.00 0.00 178.15 177.90 2ava h GLU 75 N 0.80 -0.05 0.00 2.37 5.08 -0.85 0.26 114.58 122.19 2ava h GLU 75 Ca 0.53 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.89 2ava h GLU 75 Cb 0.78 0.01 -0.00 0.00 0.50 0.00 0.00 28.75 30.04 2ava h GLU 75 CO -0.31 -0.03 -0.02 0.78 -1.00 0.00 0.00 179.01 178.43 2ava h GLY 76 N -0.05 0.00 1.25 -3.84 0.00 -1.16 -2.09 103.07 97.18 2ava h GLY 76 Ca 0.19 0.00 -0.10 0.00 0.00 0.00 0.00 47.33 47.42 2ava h GLY 76 CO -0.44 0.00 -1.04 1.41 0.00 0.00 0.00 176.54 176.48 2ava h LEU 77 N 0.00 0.00 0.00 3.11 3.38 -0.41 -3.29 115.31 118.10 2ava h LEU 77 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2ava h LEU 77 Cb 0.31 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.06 2ava h LEU 77 CO 0.00 0.37 -0.13 0.18 0.09 0.00 0.00 178.44 178.95 2ava n LEU 78 N -2.91 0.24 -0.13 1.67 4.77 0.61 -1.19 117.00 120.06 2ava n LEU 78 Ca -0.04 0.39 -0.11 0.00 -0.03 0.00 0.00 56.01 56.23 2ava n LEU 78 Cb 0.72 -0.41 -0.02 0.00 -2.33 0.00 0.00 43.42 41.39 2ava n LEU 78 CO 0.41 -0.00 0.75 -0.33 -1.33 0.00 0.00 177.39 176.89 2ava h GLU 79 N 0.00 0.73 -0.01 3.23 5.08 -1.58 -3.28 114.58 118.75 2ava h GLU 79 Ca 0.00 -0.26 0.00 0.00 -1.00 0.00 0.00 59.36 58.10 2ava h GLU 79 Cb 0.54 -0.05 0.00 0.00 0.50 0.00 0.00 28.75 29.74 2ava h GLU 79 CO 0.00 0.84 -0.01 0.36 -1.00 0.00 0.00 179.01 179.21 2ava n LYS 80 N -4.40 -0.08 -1.64 2.33 -0.00 -1.24 -5.04 118.16 108.09 2ava n LYS 80 Ca -0.01 -0.79 -0.61 0.00 -0.00 0.00 0.00 58.31 56.90 2ava n LYS 80 Cb 0.32 -1.09 -0.08 0.00 -0.00 0.00 0.00 35.03 34.18 2ava n LYS 80 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.40 178.57 2ava n LYS 81 N 0.26 0.39 0.00 -1.58 0.00 -0.34 -5.08 118.16 111.82 2ava n LYS 81 Ca 0.03 0.14 0.12 0.00 0.00 0.00 0.00 58.31 58.61 2ava n LYS 81 Cb 0.13 -1.70 0.17 0.00 0.00 0.00 0.00 35.03 33.63 2ava n LYS 81 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40