#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 3.81 0.39 0.00 -0.14 -1.26 -4.82 119.74 117.72 2ava s LYS 2 Ca 0.00 2.19 0.13 0.00 -1.36 0.00 0.00 55.97 56.93 2ava s LYS 2 Cb 0.00 -2.66 0.95 0.00 -1.68 0.00 0.00 37.83 34.44 2ava s LYS 2 CO 0.00 -0.63 1.87 0.87 -0.76 0.00 0.00 175.35 176.70 2ava h LYS 3 N 2.44 0.52 -0.95 1.68 1.57 -2.01 0.18 116.57 120.00 2ava h LYS 3 Ca -0.50 -0.03 0.07 0.00 -1.87 0.00 0.00 60.65 58.32 2ava h LYS 3 Cb 1.26 -0.12 -0.07 0.00 0.08 0.00 0.00 32.23 33.38 2ava h LYS 3 CO 0.62 0.35 0.60 1.05 -0.57 0.00 0.00 179.45 181.50 2ava h GLU 4 N 0.54 1.06 0.04 3.15 -0.00 -2.00 -0.11 114.58 117.27 2ava h GLU 4 Ca 0.44 -0.06 -0.26 0.00 -0.00 0.00 0.00 59.36 59.48 2ava h GLU 4 Cb 0.89 -0.24 0.01 0.00 -0.00 0.00 0.00 28.75 29.42 2ava h GLU 4 CO -0.18 0.70 -1.08 1.15 -0.00 0.00 0.00 179.01 179.60 2ava h THR 5 N 1.09 1.35 -0.87 -1.06 2.02 -1.37 -2.84 112.91 111.23 2ava h THR 5 Ca 0.41 -2.45 -0.02 0.00 0.77 0.00 0.00 66.41 65.12 2ava h THR 5 Cb 0.18 2.53 -0.04 0.00 -1.74 0.00 0.00 68.15 69.08 2ava h THR 5 CO -0.18 0.74 0.46 0.40 0.37 0.00 0.00 175.52 177.32 2ava h ILE 6 N 0.27 1.26 -0.30 3.11 2.04 -0.70 -1.13 117.51 122.05 2ava h ILE 6 Ca -0.13 -0.66 -0.15 0.00 1.00 0.00 0.00 64.86 64.92 2ava h ILE 6 Cb 1.73 0.10 -0.01 0.00 -0.74 0.00 0.00 36.82 37.90 2ava h ILE 6 CO 0.20 0.29 -0.42 0.44 0.00 0.00 0.00 178.15 178.66 2ava h ASP 7 N 1.22 0.80 0.58 1.72 3.32 -1.09 -2.42 116.42 120.55 2ava h ASP 7 Ca 0.30 -0.37 -0.03 0.00 0.02 0.00 0.00 57.03 56.95 2ava h ASP 7 Cb 0.05 -0.22 0.01 0.00 0.22 0.00 0.00 39.33 39.38 2ava h ASP 7 CO -0.05 1.11 -0.28 0.11 -1.72 0.00 0.00 179.24 178.42 2ava h LYS 8 N 0.60 -0.75 -0.38 3.56 1.79 -1.21 -2.51 116.57 117.67 2ava h LYS 8 Ca 0.04 0.05 0.07 0.00 -2.18 0.00 0.00 60.65 58.64 2ava h LYS 8 Cb 0.98 0.17 -0.07 0.00 -1.58 0.00 0.00 32.23 31.73 2ava h LYS 8 CO 0.09 -0.44 -0.04 0.28 -1.08 0.00 0.00 179.45 178.26 2ava h VAL 9 N -0.98 0.68 -0.25 0.50 2.07 -1.28 0.10 116.25 117.09 2ava h VAL 9 Ca -0.08 -0.02 0.07 0.00 0.82 0.00 0.00 66.70 67.49 2ava h VAL 9 Cb 0.66 0.61 -0.01 0.00 -1.52 0.00 0.00 31.29 31.03 2ava h VAL 9 CO 0.13 0.01 0.26 0.77 0.02 0.00 0.00 177.57 178.77 2ava h SER 10 N 0.06 0.00 -0.04 0.57 4.64 -1.43 -1.29 113.55 116.06 2ava h SER 10 Ca 0.18 0.00 -0.09 0.00 -0.47 0.00 0.00 61.79 61.42 2ava h SER 10 Cb 0.27 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 62.37 2ava h SER 10 CO -0.34 0.00 -0.32 -0.78 -0.87 0.00 0.00 176.83 174.52 2ava h ASP 11 N 0.00 0.36 -0.96 4.97 1.82 -0.34 -3.03 116.42 119.23 2ava h ASP 11 Ca 0.12 -0.69 0.22 0.00 -0.39 0.00 0.00 57.03 56.29 2ava h ASP 11 Cb 0.64 -0.11 -0.08 0.00 0.68 0.00 0.00 39.33 40.47 2ava h ASP 11 CO -0.00 0.99 0.62 0.40 -1.61 0.00 0.00 179.24 179.64 2ava h ILE 12 N -0.25 0.65 -0.26 2.25 5.03 -0.72 0.58 117.51 124.79 2ava h ILE 12 Ca -0.03 -0.16 -0.16 0.00 -0.12 0.00 0.00 64.86 64.39 2ava h ILE 12 Cb 1.00 0.13 -0.00 0.00 -3.03 0.00 0.00 36.82 34.92 2ava h ILE 12 CO 0.07 0.09 -0.44 0.58 -0.68 0.00 0.00 178.15 177.76 2ava h VAL 13 N 0.48 1.30 -0.67 1.67 2.07 -1.54 -3.14 116.25 116.41 2ava h VAL 13 Ca 0.52 -1.64 -0.03 0.00 0.82 0.00 0.00 66.70 66.37 2ava h VAL 13 Cb 1.20 1.69 -0.03 0.00 -1.52 0.00 0.00 31.29 32.64 2ava h VAL 13 CO -0.24 0.52 0.30 0.11 0.02 0.00 0.00 177.57 178.28 2ava h LYS 14 N 0.51 0.98 -0.14 1.57 1.57 -0.83 -2.15 116.57 118.08 2ava h LYS 14 Ca 0.02 -0.16 0.04 0.00 -1.87 0.00 0.00 60.65 58.68 2ava h LYS 14 Cb 1.04 -0.17 -0.01 0.00 0.08 0.00 0.00 32.23 33.18 2ava h LYS 14 CO 0.10 0.80 0.11 0.93 -0.57 0.00 0.00 179.45 180.82 2ava h GLU 15 N 0.94 0.00 -0.83 3.15 5.08 -1.13 0.36 114.58 122.15 2ava h GLU 15 Ca 0.23 0.00 0.15 0.00 -1.00 0.00 0.00 59.36 58.73 2ava h GLU 15 Cb 0.16 0.00 -0.09 0.00 0.50 0.00 0.00 28.75 29.31 2ava h GLU 15 CO -0.02 0.00 0.41 0.87 -1.00 0.00 0.00 179.01 179.26 2ava h LYS 16 N 0.00 0.56 0.00 2.33 1.79 -1.34 -2.64 116.57 117.28 2ava h LYS 16 Ca 0.07 -0.03 -0.01 0.00 -2.18 0.00 0.00 60.65 58.49 2ava h LYS 16 Cb 0.29 -0.13 -0.03 0.00 -1.58 0.00 0.00 32.23 30.78 2ava h LYS 16 CO -0.00 0.37 -0.29 1.47 -1.08 0.00 0.00 179.45 179.92 2ava n LEU 17 N -4.90 1.94 -3.03 2.94 -0.00 -0.75 -5.03 117.00 108.17 2ava n LEU 17 Ca 0.17 -2.86 -0.12 0.00 -0.00 0.00 0.00 56.01 53.20 2ava n LEU 17 Cb 0.43 -0.35 0.01 0.00 -0.00 0.00 0.00 43.42 43.52 2ava n LEU 17 CO 0.20 0.79 0.05 0.00 -0.00 0.00 0.00 177.39 178.43 2ava n ALA 18 N -0.97 -2.80 -4.26 1.47 0.00 0.91 -5.05 120.51 109.82 2ava n ALA 18 Ca 0.13 0.76 -0.19 0.00 0.00 0.00 0.00 53.44 54.15 2ava n ALA 18 Cb 0.70 -2.99 -0.05 0.00 0.00 0.00 0.00 19.45 17.12 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 -0.69 0.00 0.00 0.00 4.32 0.77 -4.89 117.00 116.51 2ava n LEU 19 Ca 0.05 -2.05 0.00 0.00 -0.02 0.00 0.00 56.01 53.98 2ava n LEU 19 Cb 0.51 0.52 0.00 0.00 -1.62 0.00 0.00 43.42 42.83 2ava n LEU 19 CO 0.51 -0.31 0.00 0.61 -1.22 0.00 0.00 177.39 176.98 2ava n GLY 20 N 0.56 0.98 0.07 -0.72 0.00 -1.26 -4.62 105.19 100.20 2ava n GLY 20 Ca -0.07 -0.01 -0.04 0.00 0.00 0.00 0.00 46.02 45.90 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 -1.88 0.46 -1.26 4.61 0.00 -1.26 -4.76 120.51 116.41 2ava n ALA 21 Ca 0.00 -0.47 0.06 0.00 0.00 0.00 0.00 53.44 53.03 2ava n ALA 21 Cb 0.00 0.02 0.19 0.00 0.00 0.00 0.00 19.45 19.66 2ava n ALA 21 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 2ava n ASP 22 N -3.31 2.51 -4.51 0.00 2.03 -1.26 -5.02 116.55 107.00 2ava n ASP 22 Ca -0.06 -3.41 -0.29 0.00 0.52 0.00 0.00 54.79 51.56 2ava n ASP 22 Cb 0.21 -0.52 -0.11 0.00 -0.72 0.00 0.00 41.12 39.99 2ava n ASP 22 CO 0.00 0.00 0.00 -0.69 -1.92 0.00 0.00 177.20 174.59 2ava s VAL 23 N -3.03 2.95 -0.05 5.18 1.01 -1.26 -5.12 120.40 120.08 2ava s VAL 23 Ca 0.38 -1.51 -0.20 0.00 0.00 0.00 0.00 61.98 60.66 2ava s VAL 23 Cb 0.34 -2.37 -0.05 0.00 0.00 0.00 0.00 36.38 34.30 2ava s VAL 23 CO 0.01 0.07 0.55 -0.69 0.00 0.00 0.00 175.10 175.04 2ava s VAL 24 N -1.24 5.03 -0.13 2.92 1.01 -1.26 -4.73 120.40 122.00 2ava s VAL 24 Ca 0.19 1.14 -0.10 0.00 0.00 0.00 0.00 61.98 63.22 2ava s VAL 24 Cb -0.10 -3.89 -0.05 0.00 0.00 0.00 0.00 36.38 32.34 2ava s VAL 24 CO 0.11 0.38 0.19 0.54 0.00 0.00 0.00 175.10 176.32 2ava s VAL 25 N 0.13 5.40 0.01 2.92 0.11 -1.26 -5.09 120.40 122.63 2ava s VAL 25 Ca 0.29 0.32 -0.01 0.00 -2.93 0.00 0.00 61.98 59.66 2ava s VAL 25 Cb -0.17 -3.48 -0.01 0.00 -1.53 0.00 0.00 36.38 31.19 2ava s VAL 25 CO 0.15 0.54 0.01 0.42 -3.33 0.00 0.00 175.10 172.89 2ava s THR 26 N -0.51 0.08 -0.51 5.04 -4.23 -1.26 -5.03 115.64 109.21 2ava s THR 26 Ca 0.15 -0.65 0.24 0.00 -1.18 0.00 0.00 61.69 60.25 2ava s THR 26 Cb -0.12 -0.23 0.32 0.00 1.34 0.00 0.00 72.50 73.81 2ava s THR 26 CO 0.04 -0.36 1.67 0.00 -0.54 0.00 0.00 174.62 175.43 2ava h ALA 27 N 4.97 1.00 -0.01 3.99 0.00 -1.95 -3.09 119.26 124.17 2ava h ALA 27 Ca -0.30 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.61 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 0.43 0.00 -0.42 -0.25 0.00 0.00 0.00 179.25 179.01 2ava n ASP 28 N -2.84 0.99 -4.56 0.00 8.00 -1.26 -0.12 116.55 116.76 2ava n ASP 28 Ca 0.04 -0.79 -0.22 0.00 0.71 0.00 0.00 54.79 54.53 2ava n ASP 28 Cb 0.49 0.29 -0.06 0.00 -0.02 0.00 0.00 41.12 41.83 2ava n ASP 28 CO 0.00 0.00 0.00 -0.55 -0.39 0.00 0.00 177.20 176.26 2ava s SER 29 N -2.69 4.62 -0.27 -2.24 0.15 -1.17 -4.80 113.70 107.30 2ava s SER 29 Ca 0.18 -0.28 -0.36 0.00 0.70 0.00 0.00 55.95 56.19 2ava s SER 29 Cb 0.18 -2.55 -0.12 0.00 -1.71 0.00 0.00 66.02 61.82 2ava s SER 29 CO 0.61 -3.18 2.02 -0.62 1.20 0.00 0.00 173.24 173.27 2ava n GLU 30 N 8.86 1.35 0.10 5.44 1.02 -1.26 -4.27 120.64 131.88 2ava n GLU 30 Ca 0.42 0.44 -0.05 0.00 -0.02 0.00 0.00 57.16 57.94 2ava n GLU 30 Cb 0.46 -2.43 0.05 0.00 -0.02 0.00 0.00 31.44 29.50 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 10.53 0.13 -3.55 -0.32 -0.00 -1.89 -3.41 116.94 118.42 2ava h PHE 31 Ca -0.37 -0.06 -0.70 0.00 -0.00 0.00 0.00 57.97 56.84 2ava h PHE 31 Cb 1.31 -0.02 -0.19 0.00 -0.00 0.00 0.00 35.95 37.05 2ava h PHE 31 CO 0.90 0.83 -0.31 0.45 -0.00 0.00 0.00 178.31 180.17 2ava s SER 32 N -6.85 6.16 -0.43 -0.68 0.15 -1.26 -4.97 113.70 105.82 2ava s SER 32 Ca -0.02 -0.70 0.07 0.00 0.70 0.00 0.00 55.95 56.01 2ava s SER 32 Cb 0.11 -2.19 0.18 0.00 -1.71 0.00 0.00 66.02 62.41 2ava s SER 32 CO 0.80 -0.49 0.67 -1.59 1.20 0.00 0.00 173.24 173.83 2ava s LYS 33 N 1.94 0.84 -0.14 5.44 -2.85 -1.26 -5.04 119.74 118.67 2ava s LYS 33 Ca 0.09 -0.42 -0.05 0.00 -1.00 0.00 0.00 55.97 54.59 2ava s LYS 33 Cb -0.18 0.06 0.07 0.00 -2.06 0.00 0.00 37.83 35.73 2ava s LYS 33 CO 0.12 -1.17 0.28 -1.17 0.10 0.00 0.00 175.35 173.51 2ava s LEU 34 N 1.64 -0.35 0.56 2.77 1.98 -1.26 -5.01 118.68 119.01 2ava s LEU 34 Ca 0.19 0.65 0.37 0.00 -2.89 0.00 0.00 54.13 52.45 2ava s LEU 34 Cb -0.03 0.79 1.93 0.00 0.66 0.00 0.00 46.19 49.54 2ava s LEU 34 CO -0.07 -0.24 2.13 1.23 -1.89 0.00 0.00 176.35 177.51 2ava h GLY 35 N 8.27 0.00 -0.75 7.98 0.00 -2.05 -1.21 103.07 115.31 2ava h GLY 35 Ca -0.14 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.19 2ava h GLY 35 CO 0.13 0.00 -0.06 0.00 0.00 0.00 0.00 176.54 176.61 2ava n ALA 36 N -2.01 2.59 -3.79 3.60 0.00 -1.26 -5.00 120.51 114.64 2ava n ALA 36 Ca -0.02 -0.54 -0.25 0.00 0.00 0.00 0.00 53.44 52.63 2ava n ALA 36 Cb 0.11 -0.36 0.03 0.00 0.00 0.00 0.00 19.45 19.23 2ava n ALA 36 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 2ava n ASP 37 N 0.36 -2.67 0.10 0.00 9.92 -0.46 -4.88 116.55 118.92 2ava n ASP 37 Ca 0.06 -0.81 0.01 0.00 -0.53 0.00 0.00 54.79 53.53 2ava n ASP 37 Cb 0.25 -3.97 -0.02 0.00 -0.64 0.00 0.00 41.12 36.75 2ava n ASP 37 CO 0.00 0.00 0.00 0.28 0.13 0.00 0.00 177.20 177.61 2ava h SER 38 N -1.97 0.00 -2.57 -2.24 0.02 -1.95 -3.47 113.55 101.38 2ava h SER 38 Ca -0.60 0.00 -0.60 0.00 -0.84 0.00 0.00 61.79 59.75 2ava h SER 38 Cb 1.37 0.00 0.10 0.00 0.14 0.00 0.00 62.40 64.00 2ava h SER 38 CO 0.61 0.54 0.33 -0.11 -1.14 0.00 0.00 176.83 177.06 2ava n LEU 39 N -3.11 2.36 -4.49 5.07 -0.00 -1.26 -4.91 117.00 110.66 2ava n LEU 39 Ca -0.02 1.17 -0.43 0.00 -0.00 0.00 0.00 56.01 56.73 2ava n LEU 39 Cb 0.77 -1.34 -0.05 0.00 -0.00 0.00 0.00 43.42 42.80 2ava n LEU 39 CO 0.42 -1.01 0.52 -0.62 -0.00 0.00 0.00 177.39 176.70 2ava s ASP 40 N -0.21 6.30 0.07 1.96 2.15 -1.26 -4.90 116.67 120.77 2ava s ASP 40 Ca 0.63 -0.55 -0.07 0.00 0.43 0.00 0.00 52.55 52.99 2ava s ASP 40 Cb -0.69 -2.36 -0.30 0.00 -0.30 0.00 0.00 42.92 39.27 2ava s ASP 40 CO 0.57 -1.01 1.11 0.74 -0.17 0.00 0.00 175.17 176.41 2ava h THR 41 N 5.94 1.46 -0.95 1.71 2.02 -1.94 -3.29 112.91 117.85 2ava h THR 41 Ca -0.26 -2.99 0.19 0.00 0.77 0.00 0.00 66.41 64.12 2ava h THR 41 Cb 1.09 2.97 -0.08 0.00 -1.74 0.00 0.00 68.15 70.38 2ava h THR 41 CO 1.00 0.88 0.61 0.58 0.37 0.00 0.00 175.52 178.96 2ava h VAL 42 N 0.09 0.70 -0.18 3.16 2.07 -1.91 0.22 116.25 120.40 2ava h VAL 42 Ca -0.16 -0.20 -0.16 0.00 0.82 0.00 0.00 66.70 67.01 2ava h VAL 42 Cb 2.01 0.08 -0.01 0.00 -1.52 0.00 0.00 31.29 31.85 2ava h VAL 42 CO 0.22 0.10 -0.53 -0.33 0.02 0.00 0.00 177.57 177.05 2ava h GLU 43 N 0.58 0.53 0.10 1.57 5.08 -1.99 -2.33 114.58 118.12 2ava h GLU 43 Ca 0.51 -0.33 -0.01 0.00 -1.00 0.00 0.00 59.36 58.54 2ava h GLU 43 Cb 1.03 0.03 0.00 0.00 0.50 0.00 0.00 28.75 30.32 2ava h GLU 43 CO -0.26 0.93 -0.05 0.82 -1.00 0.00 0.00 179.01 179.45 2ava h ILE 44 N 0.41 1.10 -0.64 3.13 1.08 -0.86 -2.54 117.51 119.20 2ava h ILE 44 Ca 0.01 -1.21 0.09 0.00 -0.39 0.00 0.00 64.86 63.36 2ava h ILE 44 Cb 1.06 1.82 -0.04 0.00 -3.07 0.00 0.00 36.82 36.60 2ava h ILE 44 CO 0.10 0.27 0.43 1.62 -0.69 0.00 0.00 178.15 179.88 2ava h VAL 45 N -0.74 0.93 -0.28 1.67 3.04 -0.79 -1.64 116.25 118.44 2ava h VAL 45 Ca -0.01 -0.18 -0.08 0.00 -1.01 0.00 0.00 66.70 65.42 2ava h VAL 45 Cb 0.56 0.37 -0.01 0.00 -2.01 0.00 0.00 31.29 30.20 2ava h VAL 45 CO 0.02 0.09 -0.15 0.24 -1.01 0.00 0.00 177.57 176.76 2ava h MET 46 N 0.51 0.60 0.39 4.17 2.86 -1.43 -0.75 114.93 121.28 2ava h MET 46 Ca 0.29 -0.27 -0.01 0.00 -2.06 0.00 0.00 59.70 57.65 2ava h MET 46 Cb 0.46 -0.01 -0.01 0.00 0.06 0.00 0.00 31.60 32.11 2ava h MET 46 CO -0.09 0.85 -0.24 -0.91 1.06 0.00 0.00 176.91 177.57 2ava h ASN 47 N 0.34 -0.61 0.24 1.22 4.21 -0.87 0.26 115.58 120.36 2ava h ASN 47 Ca 0.06 0.04 -0.01 0.00 1.21 0.00 0.00 56.30 57.60 2ava h ASN 47 Cb 0.68 0.18 0.00 0.00 -1.12 0.00 0.00 38.32 38.06 2ava h ASN 47 CO 0.04 -0.39 -0.11 -0.07 -1.29 0.00 0.00 177.43 175.61 2ava h LEU 48 N -0.61 -0.27 -2.04 1.61 3.38 -1.44 0.25 115.31 116.20 2ava h LEU 48 Ca -0.04 -0.02 0.05 0.00 0.09 0.00 0.00 57.88 57.97 2ava h LEU 48 Cb 0.50 0.07 -0.01 0.00 0.09 0.00 0.00 40.66 41.32 2ava h LEU 48 CO 0.04 -0.16 0.14 -0.08 0.09 0.00 0.00 178.44 178.46 2ava h GLU 49 N -0.35 0.00 0.05 1.13 4.81 -1.07 0.47 114.58 119.61 2ava h GLU 49 Ca -0.03 0.00 -0.00 0.00 -0.13 0.00 0.00 59.36 59.20 2ava h GLU 49 Cb 0.27 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.65 2ava h GLU 49 CO 0.05 0.00 -0.02 1.49 -0.73 0.00 0.00 179.01 179.80 2ava h GLU 50 N 0.00 -0.06 -0.09 1.92 4.57 0.09 -0.52 114.58 120.49 2ava h GLU 50 Ca 0.09 0.00 0.04 0.00 -1.18 0.00 0.00 59.36 58.31 2ava h GLU 50 Cb 0.36 0.01 -0.06 0.00 -0.16 0.00 0.00 28.75 28.91 2ava h GLU 50 CO -0.00 -0.04 -0.33 1.49 -1.18 0.00 0.00 179.01 178.95 2ava h GLU 51 N -0.78 -0.42 0.00 1.92 4.57 -0.41 0.24 114.58 119.71 2ava h GLU 51 Ca -0.01 0.03 -0.01 0.00 -1.18 0.00 0.00 59.36 58.19 2ava h GLU 51 Cb 0.05 0.09 -0.00 0.00 -0.16 0.00 0.00 28.75 28.73 2ava h GLU 51 CO 0.01 -0.28 -0.05 0.74 -1.18 0.00 0.00 179.01 178.25 2ava h PHE 52 N -0.43 0.00 -5.00 0.92 0.04 -1.08 -3.47 116.94 107.91 2ava h PHE 52 Ca 0.08 0.00 -0.27 0.00 2.80 0.00 0.00 57.97 60.58 2ava h PHE 52 Cb 0.56 0.00 0.14 0.00 2.20 0.00 0.00 35.95 38.85 2ava h PHE 52 CO -0.40 0.05 -0.63 0.41 -0.60 0.00 0.00 178.31 177.15 2ava n GLY 53 N -0.23 -0.22 2.72 -1.45 0.00 0.07 -5.03 105.19 101.04 2ava n GLY 53 Ca -0.00 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.81 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 -3.63 0.00 -3.83 -0.61 -5.35 -0.30 -4.98 119.36 100.66 2ava n ILE 54 Ca -0.23 -1.66 -0.29 0.00 -0.27 0.00 0.00 62.75 60.30 2ava n ILE 54 Cb 0.64 0.06 -0.13 0.00 -1.74 0.00 0.00 39.64 38.46 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 -3.21 4.00 0.13 7.28 6.03 -1.26 -4.78 114.94 123.13 2ava s ASN 55 Ca 0.13 -2.95 0.06 0.00 -1.03 0.00 0.00 52.86 49.07 2ava s ASN 55 Cb -0.01 -1.35 -0.04 0.00 -3.03 0.00 0.00 41.25 36.82 2ava s ASN 55 CO 0.08 -0.23 0.01 0.54 -2.03 0.00 0.00 177.10 175.47 2ava s VAL 56 N -0.15 3.90 0.17 3.54 0.11 -1.26 -4.90 120.40 121.81 2ava s VAL 56 Ca 0.19 -1.20 0.05 0.00 -2.93 0.00 0.00 61.98 58.08 2ava s VAL 56 Cb -0.22 -2.91 -0.04 0.00 -1.53 0.00 0.00 36.38 31.68 2ava s VAL 56 CO -0.02 -0.00 0.18 -0.62 -3.33 0.00 0.00 175.10 171.31 2ava s ASP 57 N -2.65 5.74 0.26 3.54 2.15 -1.26 -5.01 116.67 119.45 2ava s ASP 57 Ca 0.27 -0.06 -0.02 0.00 0.43 0.00 0.00 52.55 53.17 2ava s ASP 57 Cb -0.10 -1.57 0.49 0.00 -0.30 0.00 0.00 42.92 41.43 2ava s ASP 57 CO 0.19 0.05 1.80 1.05 -0.17 0.00 0.00 175.17 178.09 2ava h GLU 58 N 2.25 0.75 0.00 4.34 -0.00 -2.00 0.22 114.58 120.14 2ava h GLU 58 Ca -0.48 -0.05 -0.00 0.00 -0.00 0.00 0.00 59.36 58.83 2ava h GLU 58 Cb 1.20 -0.17 -0.00 0.00 -0.00 0.00 0.00 28.75 29.78 2ava h GLU 58 CO 0.64 0.50 -0.01 -0.44 -0.00 0.00 0.00 179.01 179.70 2ava h ASP 59 N 0.78 0.00 0.42 3.06 3.32 -2.00 0.70 116.42 122.70 2ava h ASP 59 Ca 0.45 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.50 2ava h ASP 59 Cb 0.50 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.05 2ava h ASP 59 CO -0.29 0.01 -0.70 1.17 -1.72 0.00 0.00 179.24 177.71 2ava n LYS 60 N -3.99 0.08 -1.15 3.56 3.00 0.65 -4.07 118.16 116.24 2ava n LYS 60 Ca -0.03 0.01 -0.01 0.00 -0.00 0.00 0.00 58.31 58.27 2ava n LYS 60 Cb 0.10 -1.53 0.13 0.00 0.00 0.00 0.00 35.03 33.73 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 -1.59 3.77 -0.02 3.14 0.00 0.06 -4.67 120.51 121.20 2ava n ALA 61 Ca 0.04 -3.27 -0.03 0.00 0.00 0.00 0.00 53.44 50.18 2ava n ALA 61 Cb 0.36 -0.42 -0.03 0.00 0.00 0.00 0.00 19.45 19.37 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 -0.80 1.32 -2.10 0.00 10.64 -0.19 -4.74 117.38 121.52 2ava n GLN 62 Ca 0.23 0.02 -0.27 0.00 -1.83 0.00 0.00 57.00 55.14 2ava n GLN 62 Cb 0.82 -1.10 0.02 0.00 -0.86 0.00 0.00 30.24 29.12 2ava n GLN 62 CO 0.00 0.00 0.00 -3.47 -1.83 0.00 0.00 177.06 171.76 2ava n ASP 63 N -2.46 5.32 -4.73 2.61 2.03 -1.26 -5.03 116.55 113.02 2ava n ASP 63 Ca -0.08 -3.75 -0.39 0.00 0.52 0.00 0.00 54.79 51.09 2ava n ASP 63 Cb 0.61 -0.49 -0.05 0.00 -0.72 0.00 0.00 41.12 40.46 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 -4.97 5.05 0.04 5.18 -1.09 -1.26 -5.07 121.20 119.08 2ava s ILE 64 Ca 0.51 1.28 -0.01 0.00 -2.23 0.00 0.00 60.65 60.21 2ava s ILE 64 Cb 0.42 -3.96 0.01 0.00 -1.58 0.00 0.00 42.46 37.35 2ava s ILE 64 CO -0.07 0.31 0.04 -0.24 -1.23 0.00 0.00 174.94 173.74 2ava n SER 65 N 3.52 -1.18 -3.60 3.58 2.88 -1.26 -4.89 113.62 112.68 2ava n SER 65 Ca -0.04 -0.46 -0.21 0.00 -1.33 0.00 0.00 58.87 56.84 2ava n SER 65 Cb 0.51 -0.03 0.17 0.00 -0.75 0.00 0.00 64.21 64.11 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 -2.65 0.00 -0.29 2.46 5.66 -1.26 -4.02 114.28 114.18 2ava n THR 66 Ca 0.01 -0.06 0.28 0.00 -3.05 0.00 0.00 64.05 61.23 2ava n THR 66 Cb 0.02 -0.58 0.63 0.00 -1.55 0.00 0.00 70.33 68.84 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 -2.81 0.50 0.04 1.09 5.03 -1.66 -0.36 117.51 119.34 2ava h ILE 67 Ca -0.29 -0.07 0.03 0.00 -0.12 0.00 0.00 64.86 64.41 2ava h ILE 67 Cb 0.90 0.28 -0.05 0.00 -3.03 0.00 0.00 36.82 34.92 2ava h ILE 67 CO 0.19 0.04 -0.38 1.56 -0.68 0.00 0.00 178.15 178.88 2ava h GLN 68 N 0.20 -0.54 -0.11 2.37 1.08 -0.82 0.11 115.11 117.41 2ava h GLN 68 Ca 0.55 0.04 -0.19 0.00 -1.45 0.00 0.00 58.65 57.60 2ava h GLN 68 Cb 1.78 0.12 -0.00 0.00 -0.05 0.00 0.00 27.48 29.33 2ava h GLN 68 CO -0.15 -0.36 -0.71 0.37 -0.95 0.00 0.00 178.83 177.03 2ava h GLN 69 N -0.56 0.51 0.14 1.46 4.15 -1.47 -3.13 115.11 116.22 2ava h GLN 69 Ca 0.04 -0.40 0.02 0.00 0.77 0.00 0.00 58.65 59.08 2ava h GLN 69 Cb 0.62 0.08 -0.03 0.00 0.21 0.00 0.00 27.48 28.36 2ava h GLN 69 CO -0.27 1.03 -0.28 0.00 -1.93 0.00 0.00 178.83 177.38 2ava h ALA 70 N 0.86 -0.49 -0.81 3.38 0.00 -0.71 -0.80 119.26 120.68 2ava h ALA 70 Ca -0.03 -0.05 0.09 0.00 0.00 0.00 0.00 54.91 54.92 2ava h ALA 70 Cb 1.30 0.45 -0.07 0.00 0.00 0.00 0.00 17.79 19.46 2ava h ALA 70 CO 0.13 -0.83 0.46 0.00 0.00 0.00 0.00 179.25 179.02 2ava h ALA 71 N 0.18 1.15 -0.98 0.00 0.00 -0.85 -1.22 119.26 117.54 2ava h ALA 71 Ca 0.02 0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.97 2ava h ALA 71 Cb 0.53 -0.13 -0.05 0.00 0.00 0.00 0.00 17.79 18.14 2ava h ALA 71 CO -0.15 0.10 0.62 0.22 0.00 0.00 0.00 179.25 180.04 2ava h ASP 72 N 0.79 1.15 0.64 0.00 1.82 -1.37 -1.52 116.42 117.94 2ava h ASP 72 Ca 0.39 -0.05 -0.03 0.00 -0.39 0.00 0.00 57.03 56.95 2ava h ASP 72 Cb 0.34 -0.29 0.01 0.00 0.68 0.00 0.00 39.33 40.07 2ava h ASP 72 CO -0.24 0.86 -0.31 0.58 -1.61 0.00 0.00 179.24 178.52 2ava h VAL 73 N 1.34 0.31 -0.90 2.25 2.07 0.01 -2.93 116.25 118.41 2ava h VAL 73 Ca 0.36 -0.16 0.14 0.00 0.82 0.00 0.00 66.70 67.85 2ava h VAL 73 Cb -0.11 0.37 -0.07 0.00 -1.52 0.00 0.00 31.29 29.96 2ava h VAL 73 CO -0.07 0.02 0.58 0.40 0.02 0.00 0.00 177.57 178.52 2ava h ILE 74 N -0.98 0.84 -0.36 4.57 5.03 -1.28 -1.84 117.51 123.49 2ava h ILE 74 Ca -0.09 -0.24 0.08 0.00 -0.12 0.00 0.00 64.86 64.48 2ava h ILE 74 Cb 0.69 0.07 -0.08 0.00 -3.03 0.00 0.00 36.82 34.47 2ava h ILE 74 CO 0.14 0.13 -0.16 -0.33 -0.68 0.00 0.00 178.15 177.26 2ava h GLU 75 N 0.71 -0.09 -0.22 2.37 5.08 -1.10 0.52 114.58 121.86 2ava h GLU 75 Ca 0.45 0.01 -0.03 0.00 -1.00 0.00 0.00 59.36 58.78 2ava h GLU 75 Cb 0.70 0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.96 2ava h GLU 75 CO -0.21 -0.06 -0.01 0.78 -1.00 0.00 0.00 179.01 178.51 2ava h GLY 76 N -0.09 0.34 2.00 -3.84 0.00 -1.24 -1.29 103.07 98.96 2ava h GLY 76 Ca 0.18 -0.18 0.00 0.00 0.00 0.00 0.00 47.33 47.33 2ava h GLY 76 CO -0.42 0.17 0.00 1.04 0.00 0.00 0.00 176.54 177.33 2ava n LEU 77 N -4.34 0.65 0.00 3.11 4.77 -0.24 -2.72 117.00 118.23 2ava n LEU 77 Ca 0.00 0.59 0.11 0.00 -0.03 0.00 0.00 56.01 56.68 2ava n LEU 77 Cb 0.20 -0.41 0.12 0.00 -2.33 0.00 0.00 43.42 41.00 2ava n LEU 77 CO 0.37 -0.25 0.27 0.18 -1.33 0.00 0.00 177.39 176.63 2ava n LEU 78 N -2.14 0.67 -0.01 2.23 4.77 0.01 -1.58 117.00 120.95 2ava n LEU 78 Ca 0.05 -0.16 -0.12 0.00 -0.03 0.00 0.00 56.01 55.74 2ava n LEU 78 Cb 0.36 -0.16 -0.08 0.00 -2.33 0.00 0.00 43.42 41.21 2ava n LEU 78 CO 0.27 0.16 0.71 -0.33 -1.33 0.00 0.00 177.39 176.87 2ava h GLU 79 N 0.00 0.09 0.00 3.23 4.39 -1.28 -3.37 114.58 117.64 2ava h GLU 79 Ca 0.00 -0.03 -0.01 0.00 0.34 0.00 0.00 59.36 59.66 2ava h GLU 79 Cb 0.51 -0.01 -0.00 0.00 -0.10 0.00 0.00 28.75 29.15 2ava h GLU 79 CO 0.00 0.40 -1.18 0.36 -1.16 0.00 0.00 179.01 177.43 2ava n LYS 80 N -4.86 0.89 -4.05 2.33 -0.00 -1.26 -5.03 118.16 106.18 2ava n LYS 80 Ca -0.07 -0.03 -0.29 0.00 -0.00 0.00 0.00 58.31 57.92 2ava n LYS 80 Cb 0.20 -1.08 -0.02 0.00 -0.00 0.00 0.00 35.03 34.12 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 -1.74 -3.28 0.00 -1.58 4.81 -0.61 -5.11 118.16 110.65 2ava n LYS 81 Ca -0.02 0.39 0.00 0.00 -0.87 0.00 0.00 58.31 57.81 2ava n LYS 81 Cb 0.21 -4.72 0.00 0.00 0.02 0.00 0.00 35.03 30.54 2ava n LYS 81 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57