#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 3.93 0.33 0.00 -0.14 -1.26 -4.80 119.74 117.80 2ava s LYS 2 Ca 0.00 2.03 0.08 0.00 -1.36 0.00 0.00 55.97 56.72 2ava s LYS 2 Cb 0.00 -2.67 0.81 0.00 -1.68 0.00 0.00 37.83 34.28 2ava s LYS 2 CO 0.00 -0.48 1.79 0.87 -0.76 0.00 0.00 175.35 176.77 2ava h LYS 3 N 2.54 0.68 -0.57 1.68 1.57 -2.02 -0.01 116.57 120.45 2ava h LYS 3 Ca -0.49 -0.04 0.09 0.00 -1.87 0.00 0.00 60.65 58.34 2ava h LYS 3 Cb 1.25 -0.15 -0.07 0.00 0.08 0.00 0.00 32.23 33.33 2ava h LYS 3 CO 0.62 0.45 0.17 1.05 -0.57 0.00 0.00 179.45 181.17 2ava h GLU 4 N 0.70 0.31 -0.05 3.15 4.11 -1.99 0.16 114.58 120.96 2ava h GLU 4 Ca 0.56 -0.02 -0.12 0.00 0.07 0.00 0.00 59.36 59.85 2ava h GLU 4 Cb 0.96 -0.07 0.01 0.00 0.50 0.00 0.00 28.75 30.14 2ava h GLU 4 CO -0.34 0.21 -0.42 1.15 0.07 0.00 0.00 179.01 179.68 2ava h THR 5 N 0.32 1.42 -0.76 -1.06 2.02 -1.45 -2.82 112.91 110.59 2ava h THR 5 Ca 0.29 -1.85 0.10 0.00 0.77 0.00 0.00 66.41 65.72 2ava h THR 5 Cb 0.38 2.40 -0.07 0.00 -1.74 0.00 0.00 68.15 69.11 2ava h THR 5 CO -0.33 0.54 0.40 0.40 0.37 0.00 0.00 175.52 176.90 2ava h ILE 6 N -0.11 0.87 -0.08 3.11 2.04 -0.67 0.88 117.51 123.55 2ava h ILE 6 Ca -0.04 -0.23 -0.09 0.00 1.00 0.00 0.00 64.86 65.50 2ava h ILE 6 Cb 1.09 0.13 -0.01 0.00 -0.74 0.00 0.00 36.82 37.29 2ava h ILE 6 CO 0.08 0.12 -0.37 -0.78 0.00 0.00 0.00 178.15 177.21 2ava h ASP 7 N 0.68 0.16 0.09 1.72 3.58 -0.75 -2.68 116.42 119.22 2ava h ASP 7 Ca 0.37 -0.06 -0.00 0.00 0.42 0.00 0.00 57.03 57.76 2ava h ASP 7 Cb 0.37 -0.05 0.00 0.00 1.72 0.00 0.00 39.33 41.38 2ava h ASP 7 CO -0.26 0.53 -0.04 0.11 -2.88 0.00 0.00 179.24 176.69 2ava h LYS 8 N 0.14 -0.12 -0.39 0.28 1.79 -0.81 -2.76 116.57 114.71 2ava h LYS 8 Ca 0.02 0.01 0.08 0.00 -2.18 0.00 0.00 60.65 58.57 2ava h LYS 8 Cb 0.72 0.03 -0.07 0.00 -1.58 0.00 0.00 32.23 31.33 2ava h LYS 8 CO 0.05 0.36 -0.06 0.28 -1.08 0.00 0.00 179.45 179.01 2ava h VAL 9 N -0.68 0.65 -0.62 0.50 2.07 -0.89 -0.39 116.25 116.89 2ava h VAL 9 Ca -0.01 -0.01 0.05 0.00 0.82 0.00 0.00 66.70 67.55 2ava h VAL 9 Cb 0.54 0.61 -0.04 0.00 -1.52 0.00 0.00 31.29 30.88 2ava h VAL 9 CO 0.02 0.01 0.41 0.28 0.02 0.00 0.00 177.57 178.31 2ava h SER 10 N 0.04 0.56 -0.23 0.57 0.02 -1.55 -2.18 113.55 110.78 2ava h SER 10 Ca 0.19 -0.00 -0.01 0.00 -0.84 0.00 0.00 61.79 61.13 2ava h SER 10 Cb 0.28 -0.12 -0.01 0.00 0.14 0.00 0.00 62.40 62.69 2ava h SER 10 CO -0.37 0.37 0.12 -0.78 -1.14 0.00 0.00 176.83 175.04 2ava h ASP 11 N 0.65 0.30 -0.46 3.07 3.58 -0.77 -2.99 116.42 119.79 2ava h ASP 11 Ca 0.26 -0.11 0.09 0.00 0.42 0.00 0.00 57.03 57.70 2ava h ASP 11 Cb 0.21 -0.08 -0.09 0.00 1.72 0.00 0.00 39.33 41.09 2ava h ASP 11 CO -0.08 0.32 -0.16 0.40 -2.88 0.00 0.00 179.24 176.84 2ava h ILE 12 N 0.25 0.45 -0.97 2.25 5.03 -0.79 0.53 117.51 124.27 2ava h ILE 12 Ca 0.08 0.00 0.19 0.00 -0.12 0.00 0.00 64.86 65.01 2ava h ILE 12 Cb 0.09 0.45 -0.09 0.00 -3.03 0.00 0.00 36.82 34.25 2ava h ILE 12 CO -0.01 0.00 0.61 0.58 -0.68 0.00 0.00 178.15 178.65 2ava h VAL 13 N -0.06 0.71 0.16 1.67 2.07 -1.44 -0.31 116.25 119.05 2ava h VAL 13 Ca 0.22 -0.22 -0.29 0.00 0.82 0.00 0.00 66.70 67.23 2ava h VAL 13 Cb 0.40 0.01 0.01 0.00 -1.52 0.00 0.00 31.29 30.19 2ava h VAL 13 CO -0.51 0.12 -1.31 0.11 0.02 0.00 0.00 177.57 176.00 2ava h LYS 14 N 0.64 0.33 -0.99 1.57 1.57 -0.79 -3.30 116.57 115.61 2ava h LYS 14 Ca 0.53 -0.56 0.12 0.00 -1.87 0.00 0.00 60.65 58.88 2ava h LYS 14 Cb 0.99 0.21 -0.08 0.00 0.08 0.00 0.00 32.23 33.42 2ava h LYS 14 CO -0.29 1.26 0.62 0.93 -0.57 0.00 0.00 179.45 181.40 2ava h GLU 15 N 0.09 0.92 -0.39 3.15 4.39 0.17 0.43 114.58 123.34 2ava h GLU 15 Ca -0.17 -0.06 0.08 0.00 0.34 0.00 0.00 59.36 59.56 2ava h GLU 15 Cb 2.02 -0.21 -0.09 0.00 -0.10 0.00 0.00 28.75 30.37 2ava h GLU 15 CO 0.22 0.61 -0.31 0.87 -1.16 0.00 0.00 179.01 179.23 2ava h LYS 16 N 0.95 -0.24 -0.58 2.33 1.57 -1.46 -0.70 116.57 118.45 2ava h LYS 16 Ca 0.49 0.02 -0.09 0.00 -1.87 0.00 0.00 60.65 59.20 2ava h LYS 16 Cb 0.53 0.05 -0.05 0.00 0.08 0.00 0.00 32.23 32.84 2ava h LYS 16 CO -0.26 -0.16 0.10 1.47 -0.57 0.00 0.00 179.45 180.03 2ava n LEU 17 N -5.41 5.51 -3.36 2.94 -0.00 -0.85 -4.98 117.00 110.85 2ava n LEU 17 Ca 0.01 -3.09 -0.19 0.00 -0.00 0.00 0.00 56.01 52.74 2ava n LEU 17 Cb 0.33 -0.68 0.01 0.00 -0.00 0.00 0.00 43.42 43.08 2ava n LEU 17 CO 0.08 0.73 -0.05 0.00 -0.00 0.00 0.00 177.39 178.15 2ava n ALA 18 N 0.07 -2.65 -3.84 1.47 0.00 0.10 -5.02 120.51 110.64 2ava n ALA 18 Ca 0.32 0.22 -0.07 0.00 0.00 0.00 0.00 53.44 53.92 2ava n ALA 18 Cb 1.22 -1.87 -0.02 0.00 0.00 0.00 0.00 19.45 18.78 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 -1.38 0.00 0.00 0.00 4.32 0.11 -4.89 117.00 115.16 2ava n LEU 19 Ca -0.10 -0.72 0.00 0.00 -0.02 0.00 0.00 56.01 55.17 2ava n LEU 19 Cb 0.60 0.19 0.00 0.00 -1.62 0.00 0.00 43.42 42.59 2ava n LEU 19 CO 0.56 -0.11 0.00 0.61 -1.22 0.00 0.00 177.39 177.23 2ava n GLY 20 N 2.23 0.82 0.04 -0.72 0.00 -1.26 -4.58 105.19 101.72 2ava n GLY 20 Ca -0.02 0.00 -0.02 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 -0.11 4.61 0.00 -2.00 -3.42 119.26 118.35 2ava h ALA 21 Ca 0.00 -0.24 -0.02 0.00 0.00 0.00 0.00 54.91 54.65 2ava h ALA 21 Cb 0.00 0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.96 2ava h ALA 21 CO 0.00 0.18 -0.09 -3.47 0.00 0.00 0.00 179.25 175.88 2ava n ASP 22 N -3.71 2.65 -4.52 0.00 -0.08 -1.26 -5.02 116.55 104.60 2ava n ASP 22 Ca -0.03 -3.28 -0.28 0.00 -1.51 0.00 0.00 54.79 49.70 2ava n ASP 22 Cb 0.10 -0.50 -0.10 0.00 2.34 0.00 0.00 41.12 42.95 2ava n ASP 22 CO 0.00 0.00 0.00 -0.69 0.12 0.00 0.00 177.20 176.63 2ava s VAL 23 N -2.97 2.96 0.38 5.18 1.01 -1.26 -5.13 120.40 120.57 2ava s VAL 23 Ca 0.37 -1.64 -0.16 0.00 0.00 0.00 0.00 61.98 60.55 2ava s VAL 23 Cb 0.32 -2.42 -0.09 0.00 0.00 0.00 0.00 36.38 34.19 2ava s VAL 23 CO 0.03 -0.03 0.81 0.54 0.00 0.00 0.00 175.10 176.44 2ava s VAL 24 N -1.49 4.62 -0.06 2.92 0.11 -1.26 -4.70 120.40 120.54 2ava s VAL 24 Ca 0.22 1.03 0.06 0.00 -2.93 0.00 0.00 61.98 60.36 2ava s VAL 24 Cb -0.09 -3.64 -0.01 0.00 -1.53 0.00 0.00 36.38 31.11 2ava s VAL 24 CO 0.13 -0.31 -0.24 0.54 -3.33 0.00 0.00 175.10 171.88 2ava s VAL 25 N -2.14 2.00 0.02 2.04 0.11 -1.26 -5.01 120.40 116.16 2ava s VAL 25 Ca 0.56 -1.04 -0.03 0.00 -2.93 0.00 0.00 61.98 58.54 2ava s VAL 25 Cb -0.10 -1.70 -0.01 0.00 -1.53 0.00 0.00 36.38 33.04 2ava s VAL 25 CO 0.20 0.56 0.03 0.42 -3.33 0.00 0.00 175.10 172.98 2ava s THR 26 N -0.14 0.11 -0.71 5.04 -4.23 -1.26 -5.03 115.64 109.42 2ava s THR 26 Ca -0.04 -0.90 0.25 0.00 -1.18 0.00 0.00 61.69 59.82 2ava s THR 26 Cb -0.14 -0.43 0.12 0.00 1.34 0.00 0.00 72.50 73.40 2ava s THR 26 CO 0.04 -0.49 1.49 0.00 -0.54 0.00 0.00 174.62 175.11 2ava n ALA 27 N 1.41 2.75 1.13 3.99 0.00 -1.26 -3.44 120.51 125.09 2ava n ALA 27 Ca -0.23 -0.18 0.12 0.00 0.00 0.00 0.00 53.44 53.15 2ava n ALA 27 Cb 0.56 -1.27 0.29 0.00 0.00 0.00 0.00 19.45 19.03 2ava n ALA 27 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 2ava n ASP 28 N -2.09 0.86 -4.56 0.00 2.03 -1.26 -0.10 116.55 111.43 2ava n ASP 28 Ca 0.04 -0.67 -0.25 0.00 0.52 0.00 0.00 54.79 54.43 2ava n ASP 28 Cb 0.43 0.23 -0.05 0.00 -0.72 0.00 0.00 41.12 41.00 2ava n ASP 28 CO 0.00 0.00 0.00 -0.44 -1.92 0.00 0.00 177.20 174.84 2ava s SER 29 N -2.71 4.77 -0.45 1.67 0.01 -1.22 -4.81 113.70 110.96 2ava s SER 29 Ca 0.18 -0.27 -0.33 0.00 1.31 0.00 0.00 55.95 56.84 2ava s SER 29 Cb 0.18 -2.55 -0.12 0.00 0.21 0.00 0.00 66.02 63.74 2ava s SER 29 CO 0.61 -3.03 2.28 -0.62 0.41 0.00 0.00 173.24 172.89 2ava n GLU 30 N 8.89 0.94 0.13 12.44 1.02 -1.26 -4.25 120.64 138.55 2ava n GLU 30 Ca 0.40 0.21 -0.02 0.00 -0.02 0.00 0.00 57.16 57.73 2ava n GLU 30 Cb 0.47 -2.49 0.19 0.00 -0.02 0.00 0.00 31.44 29.59 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 13.41 0.09 -4.35 -0.32 -0.00 -1.89 -3.45 116.94 120.43 2ava h PHE 31 Ca -0.24 -0.03 -0.50 0.00 -0.00 0.00 0.00 57.97 57.20 2ava h PHE 31 Cb 1.31 -0.02 0.06 0.00 -0.00 0.00 0.00 35.95 37.31 2ava h PHE 31 CO 0.97 0.62 0.40 -1.54 -0.00 0.00 0.00 178.31 178.77 2ava s SER 32 N -6.87 5.97 -0.19 -0.68 1.04 -1.26 -5.02 113.70 106.69 2ava s SER 32 Ca -0.02 1.29 -0.04 0.00 0.48 0.00 0.00 55.95 57.66 2ava s SER 32 Cb 0.13 -2.27 -0.22 0.00 0.10 0.00 0.00 66.02 63.76 2ava s SER 32 CO 0.77 -1.01 0.08 0.29 0.98 0.00 0.00 173.24 174.35 2ava n LYS 33 N -2.81 0.70 -3.65 4.02 4.76 -1.26 -5.01 118.16 114.91 2ava n LYS 33 Ca 0.06 0.23 -0.22 0.00 -2.87 0.00 0.00 58.31 55.51 2ava n LYS 33 Cb 0.55 -1.62 0.05 0.00 -1.84 0.00 0.00 35.03 32.17 2ava n LYS 33 CO 0.00 0.00 0.00 -0.11 -1.37 0.00 0.00 177.40 175.92 2ava n LEU 34 N -3.45 -3.30 0.03 -0.35 7.94 -1.26 -4.81 117.00 111.79 2ava n LEU 34 Ca -0.39 -0.74 0.00 0.00 -1.11 0.00 0.00 56.01 53.78 2ava n LEU 34 Cb 1.00 -2.80 0.00 0.00 0.53 0.00 0.00 43.42 42.15 2ava n LEU 34 CO 0.33 0.43 0.00 0.61 -1.11 0.00 0.00 177.39 177.66 2ava n GLY 35 N -1.51 -0.52 3.32 -3.96 0.00 -1.26 -5.16 105.19 96.09 2ava n GLY 35 Ca -0.22 0.07 -0.19 0.00 0.00 0.00 0.00 46.02 45.68 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 -2.00 1.93 -0.31 4.61 0.00 -1.26 -5.11 121.76 119.61 2ava s ALA 36 Ca 0.00 -1.83 -0.29 0.00 0.00 0.00 0.00 51.96 49.84 2ava s ALA 36 Cb 0.00 1.29 0.00 0.00 0.00 0.00 0.00 23.12 24.41 2ava s ALA 36 CO 0.00 -0.57 1.29 0.34 0.00 0.00 0.00 175.76 176.82 2ava s ASP 37 N -3.37 6.67 -0.06 0.00 2.15 -1.26 -4.84 116.67 115.96 2ava s ASP 37 Ca 0.37 1.16 0.10 0.00 0.43 0.00 0.00 52.55 54.61 2ava s ASP 37 Cb 0.04 -2.54 -0.15 0.00 -0.30 0.00 0.00 42.92 39.97 2ava s ASP 37 CO 0.21 -1.09 0.14 -1.54 -0.17 0.00 0.00 175.17 172.72 2ava n SER 38 N 7.64 2.53 -3.73 -0.34 3.41 -1.26 -5.02 113.62 116.85 2ava n SER 38 Ca 0.15 0.00 -0.27 0.00 -0.26 0.00 0.00 58.87 58.49 2ava n SER 38 Cb 0.47 1.13 0.06 0.00 -0.26 0.00 0.00 64.21 65.61 2ava n SER 38 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 2ava n LEU 39 N -2.12 -3.05 -0.01 1.04 4.77 -1.26 -4.87 117.00 111.50 2ava n LEU 39 Ca -0.09 -0.64 0.06 0.00 -0.03 0.00 0.00 56.01 55.31 2ava n LEU 39 Cb 0.55 -2.84 -0.10 0.00 -2.33 0.00 0.00 43.42 38.70 2ava n LEU 39 CO 0.22 0.58 -0.61 -0.67 -1.33 0.00 0.00 177.39 175.58 2ava n ASP 40 N -2.94 1.99 -0.07 -1.43 2.03 -1.26 -4.62 116.55 110.26 2ava n ASP 40 Ca 0.02 -0.06 -0.08 0.00 0.52 0.00 0.00 54.79 55.20 2ava n ASP 40 Cb 0.55 1.54 -0.01 0.00 -0.72 0.00 0.00 41.12 42.47 2ava n ASP 40 CO 0.00 0.00 0.00 0.74 -1.92 0.00 0.00 177.20 176.02 2ava h THR 41 N 0.00 0.41 -0.93 5.18 2.02 -1.94 0.57 112.91 118.22 2ava h THR 41 Ca 0.00 0.00 0.23 0.00 0.77 0.00 0.00 66.41 67.41 2ava h THR 41 Cb 0.56 0.41 -0.06 0.00 -1.74 0.00 0.00 68.15 67.32 2ava h THR 41 CO 0.00 0.00 0.62 0.58 0.37 0.00 0.00 175.52 177.09 2ava h VAL 42 N -0.21 0.63 -0.05 3.16 2.07 -1.91 0.12 116.25 120.07 2ava h VAL 42 Ca 0.15 -0.11 -0.03 0.00 0.82 0.00 0.00 66.70 67.53 2ava h VAL 42 Cb 0.44 0.27 0.00 0.00 -1.52 0.00 0.00 31.29 30.48 2ava h VAL 42 CO -0.40 0.06 -0.10 -0.33 0.02 0.00 0.00 177.57 176.81 2ava h GLU 43 N 0.32 0.15 0.34 1.57 5.08 -1.21 -2.07 114.58 118.76 2ava h GLU 43 Ca 0.48 -0.10 -0.02 0.00 -1.00 0.00 0.00 59.36 58.73 2ava h GLU 43 Cb 1.34 0.01 0.00 0.00 0.50 0.00 0.00 28.75 30.61 2ava h GLU 43 CO -0.16 0.70 -0.16 0.82 -1.00 0.00 0.00 179.01 179.20 2ava h ILE 44 N -0.37 0.68 -0.74 3.13 1.08 0.00 0.01 117.51 121.30 2ava h ILE 44 Ca -0.00 -0.16 0.08 0.00 -0.39 0.00 0.00 64.86 64.38 2ava h ILE 44 Cb 0.70 0.77 -0.05 0.00 -3.07 0.00 0.00 36.82 35.17 2ava h ILE 44 CO 0.02 0.03 0.49 1.62 -0.69 0.00 0.00 178.15 179.62 2ava h VAL 45 N -0.54 0.98 -0.22 1.67 3.04 -0.93 -1.62 116.25 118.64 2ava h VAL 45 Ca -0.05 -0.25 -0.08 0.00 -1.01 0.00 0.00 66.70 65.31 2ava h VAL 45 Cb 0.40 0.20 -0.00 0.00 -2.01 0.00 0.00 31.29 29.88 2ava h VAL 45 CO 0.08 0.13 -0.19 0.24 -1.01 0.00 0.00 177.57 176.82 2ava h MET 46 N 0.72 0.52 0.43 4.17 2.86 -1.10 -0.82 114.93 121.71 2ava h MET 46 Ca 0.33 -0.26 -0.01 0.00 -2.06 0.00 0.00 59.70 57.70 2ava h MET 46 Cb 0.35 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.00 2ava h MET 46 CO -0.12 0.84 -0.31 -0.91 1.06 0.00 0.00 176.91 177.47 2ava h ASN 47 N 0.21 -0.79 0.31 1.22 4.21 -0.26 0.31 115.58 120.79 2ava h ASN 47 Ca 0.04 0.06 -0.02 0.00 1.21 0.00 0.00 56.30 57.59 2ava h ASN 47 Cb 0.73 0.25 0.00 0.00 -1.12 0.00 0.00 38.32 38.18 2ava h ASN 47 CO 0.05 -0.47 -0.15 -0.07 -1.29 0.00 0.00 177.43 175.50 2ava h LEU 48 N -0.72 -0.35 -2.01 1.61 3.38 -1.39 0.54 115.31 116.38 2ava h LEU 48 Ca -0.04 -0.01 0.09 0.00 0.09 0.00 0.00 57.88 58.00 2ava h LEU 48 Cb 0.61 0.09 -0.01 0.00 0.09 0.00 0.00 40.66 41.44 2ava h LEU 48 CO 0.02 -0.22 0.22 -0.08 0.09 0.00 0.00 178.44 178.47 2ava h GLU 49 N -0.45 0.00 0.13 1.13 4.81 -1.09 0.16 114.58 119.28 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 0.34 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.72 2ava h GLU 49 CO 0.07 0.00 -0.06 1.49 -0.73 0.00 0.00 179.01 179.78 2ava h GLU 50 N 0.00 -0.17 0.16 1.92 4.22 0.18 0.18 114.58 121.08 2ava h GLU 50 Ca 0.15 0.01 -0.00 0.00 0.08 0.00 0.00 59.36 59.59 2ava h GLU 50 Cb 0.59 0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.88 2ava h GLU 50 CO -0.00 0.22 -0.11 1.49 -2.18 0.00 0.00 179.01 178.43 2ava h GLU 51 N -0.95 -0.27 0.00 1.92 4.57 -0.55 -2.37 114.58 116.94 2ava h GLU 51 Ca -0.02 0.02 -0.04 0.00 -1.18 0.00 0.00 59.36 58.15 2ava h GLU 51 Cb 0.47 0.06 -0.01 0.00 -0.16 0.00 0.00 28.75 29.12 2ava h GLU 51 CO 0.03 -0.18 -0.17 0.74 -1.18 0.00 0.00 179.01 178.25 2ava h PHE 52 N -0.28 0.00 -0.83 0.92 0.04 -0.83 -3.47 116.94 112.50 2ava h PHE 52 Ca -0.01 0.00 -0.25 0.00 2.80 0.00 0.00 57.97 60.50 2ava h PHE 52 Cb 0.24 0.00 -0.08 0.00 2.20 0.00 0.00 35.95 38.31 2ava h PHE 52 CO -0.09 0.17 -0.25 0.41 -0.60 0.00 0.00 178.31 177.94 2ava n GLY 53 N 0.32 1.05 1.96 -1.45 0.00 0.56 -4.97 105.19 102.65 2ava n GLY 53 Ca 0.01 -0.43 -0.14 0.00 0.00 0.00 0.00 46.02 45.45 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 -2.91 0.00 -3.89 -0.61 -5.35 -0.88 -4.98 119.36 100.73 2ava n ILE 54 Ca -0.13 -0.55 -0.30 0.00 -0.27 0.00 0.00 62.75 61.50 2ava n ILE 54 Cb 0.45 -1.65 -0.14 0.00 -1.74 0.00 0.00 39.64 36.57 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 4.18 0.31 7.28 6.03 -1.26 -4.82 114.94 123.27 2ava s ASN 55 Ca 0.37 -2.98 -0.06 0.00 -1.03 0.00 0.00 52.86 49.17 2ava s ASN 55 Cb -0.01 -1.51 -0.05 0.00 -3.03 0.00 0.00 41.25 36.65 2ava s ASN 55 CO 0.26 -0.23 0.59 -0.69 -2.03 0.00 0.00 177.10 175.00 2ava s VAL 56 N -0.22 4.98 0.15 3.54 1.01 -1.26 -5.05 120.40 123.56 2ava s VAL 56 Ca 0.18 0.16 0.11 0.00 0.00 0.00 0.00 61.98 62.42 2ava s VAL 56 Cb -0.24 -3.73 -0.04 0.00 0.00 0.00 0.00 36.38 32.36 2ava s VAL 56 CO -0.01 -0.36 -0.25 -0.62 0.00 0.00 0.00 175.10 173.86 2ava s ASP 57 N -3.16 3.27 0.26 3.32 -1.08 -1.26 -5.03 116.67 112.99 2ava s ASP 57 Ca 0.45 -0.79 -0.02 0.00 -0.52 0.00 0.00 52.55 51.68 2ava s ASP 57 Cb -0.11 -0.22 0.47 0.00 -1.46 0.00 0.00 42.92 41.61 2ava s ASP 57 CO 0.30 0.14 1.82 -0.33 0.52 0.00 0.00 175.17 177.62 2ava h GLU 58 N 3.64 0.86 0.00 4.34 5.08 -1.99 0.32 114.58 126.82 2ava h GLU 58 Ca -0.49 -0.05 -0.00 0.00 -1.00 0.00 0.00 59.36 57.82 2ava h GLU 58 Cb 1.19 -0.19 -0.00 0.00 0.50 0.00 0.00 28.75 30.24 2ava h GLU 58 CO 0.43 0.57 -0.01 -0.44 -1.00 0.00 0.00 179.01 178.55 2ava h ASP 59 N 0.88 0.00 0.17 1.42 3.32 -2.00 -1.91 116.42 118.30 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 0.43 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.98 2ava h ASP 59 CO -0.26 0.01 -1.28 1.17 -1.72 0.00 0.00 179.24 177.16 2ava n LYS 60 N -3.13 0.29 -2.11 3.56 3.00 0.78 -4.32 118.16 116.23 2ava n LYS 60 Ca -0.01 -0.06 -0.21 0.00 -0.00 0.00 0.00 58.31 58.04 2ava n LYS 60 Cb 0.24 -1.54 0.02 0.00 0.00 0.00 0.00 35.03 33.75 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 -1.83 4.72 -0.02 3.14 0.00 0.72 -4.66 120.51 122.59 2ava n ALA 61 Ca 0.01 -3.66 -0.01 0.00 0.00 0.00 0.00 53.44 49.77 2ava n ALA 61 Cb 0.44 -0.39 -0.03 0.00 0.00 0.00 0.00 19.45 19.47 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 -0.70 2.88 -2.57 0.00 -0.00 -0.79 -4.77 117.38 111.44 2ava n GLN 62 Ca 0.39 -0.01 -0.17 0.00 -0.00 0.00 0.00 57.00 57.22 2ava n GLN 62 Cb 0.95 -1.09 0.02 0.00 -0.00 0.00 0.00 30.24 30.11 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 -2.05 2.91 -4.81 2.61 2.03 -1.26 -5.09 116.55 110.89 2ava n ASP 63 Ca -0.05 -3.13 -0.38 0.00 0.52 0.00 0.00 54.79 51.75 2ava n ASP 63 Cb 0.54 -0.49 -0.06 0.00 -0.72 0.00 0.00 41.12 40.38 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 -4.20 4.65 0.03 5.18 -1.09 -1.26 -5.08 121.20 119.43 2ava s ILE 64 Ca 0.36 1.28 -0.00 0.00 -2.23 0.00 0.00 60.65 60.06 2ava s ILE 64 Cb 0.43 -3.92 0.01 0.00 -1.58 0.00 0.00 42.46 37.39 2ava s ILE 64 CO -0.06 0.47 0.04 -0.24 -1.23 0.00 0.00 174.94 173.92 2ava n SER 65 N 1.45 0.01 -3.62 3.58 2.88 -1.26 -4.92 113.62 111.74 2ava n SER 65 Ca -0.08 -1.02 -0.21 0.00 -1.33 0.00 0.00 58.87 56.23 2ava n SER 65 Cb 0.50 -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 -1.90 0.00 -0.30 2.46 5.66 -1.26 -4.00 114.28 114.93 2ava n THR 66 Ca 0.01 -0.06 0.29 0.00 -3.05 0.00 0.00 64.05 61.24 2ava n THR 66 Cb 0.02 -0.57 0.65 0.00 -1.55 0.00 0.00 70.33 68.88 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 -2.77 0.47 0.02 1.09 2.04 -1.64 -0.29 117.51 116.44 2ava h ILE 67 Ca -0.30 -0.05 0.03 0.00 1.00 0.00 0.00 64.86 65.54 2ava h ILE 67 Cb 0.91 0.30 -0.05 0.00 -0.74 0.00 0.00 36.82 37.23 2ava h ILE 67 CO 0.19 0.03 -0.35 1.56 0.00 0.00 0.00 178.15 179.58 2ava h GLN 68 N 0.16 -0.50 -0.04 2.37 1.08 -0.80 0.70 115.11 118.07 2ava h GLN 68 Ca 0.56 0.03 -0.20 0.00 -1.45 0.00 0.00 58.65 57.60 2ava h GLN 68 Cb 1.89 0.11 -0.00 0.00 -0.05 0.00 0.00 27.48 29.43 2ava h GLN 68 CO -0.13 -0.33 -0.80 0.37 -0.95 0.00 0.00 178.83 176.99 2ava h GLN 69 N -0.52 0.37 -0.47 1.46 4.15 -1.43 -3.14 115.11 115.53 2ava h GLN 69 Ca 0.05 -0.34 0.06 0.00 0.77 0.00 0.00 58.65 59.19 2ava h GLN 69 Cb 0.59 0.08 -0.05 0.00 0.21 0.00 0.00 27.48 28.31 2ava h GLN 69 CO -0.27 1.00 0.18 0.00 -1.93 0.00 0.00 178.83 177.81 2ava h ALA 70 N 0.90 0.58 -0.50 3.38 0.00 -0.69 -1.57 119.26 121.35 2ava h ALA 70 Ca -0.04 0.05 -0.03 0.00 0.00 0.00 0.00 54.91 54.89 2ava h ALA 70 Cb 1.40 0.02 -0.02 0.00 0.00 0.00 0.00 17.79 19.19 2ava h ALA 70 CO 0.14 -0.21 0.21 0.00 0.00 0.00 0.00 179.25 179.39 2ava h ALA 71 N 1.30 0.65 -0.71 0.00 0.00 -0.91 -2.64 119.26 116.96 2ava h ALA 71 Ca 0.22 -0.15 0.07 0.00 0.00 0.00 0.00 54.91 55.06 2ava h ALA 71 Cb 0.21 -0.20 -0.06 0.00 0.00 0.00 0.00 17.79 17.74 2ava h ALA 71 CO -0.21 0.25 0.39 0.22 0.00 0.00 0.00 179.25 179.89 2ava h ASP 72 N 0.67 0.56 0.49 0.00 3.58 -1.37 -1.54 116.42 118.81 2ava h ASP 72 Ca 0.17 0.04 -0.02 0.00 0.42 0.00 0.00 57.03 57.64 2ava h ASP 72 Cb 0.18 -0.07 0.00 0.00 1.72 0.00 0.00 39.33 41.16 2ava h ASP 72 CO -0.02 0.35 -0.25 0.58 -2.88 0.00 0.00 179.24 177.02 2ava h VAL 73 N 0.69 0.48 -0.97 2.25 2.07 -1.06 -2.71 116.25 117.00 2ava h VAL 73 Ca 0.33 0.00 0.16 0.00 0.82 0.00 0.00 66.70 68.00 2ava h VAL 73 Cb 0.25 0.48 -0.10 0.00 -1.52 0.00 0.00 31.29 30.41 2ava h VAL 73 CO -0.21 0.00 0.58 0.40 0.02 0.00 0.00 177.57 178.36 2ava h ILE 74 N -0.68 0.79 -0.98 4.57 2.04 -1.17 0.05 117.51 122.13 2ava h ILE 74 Ca -0.06 -0.28 0.13 0.00 1.00 0.00 0.00 64.86 65.65 2ava h ILE 74 Cb 0.53 -0.10 -0.08 0.00 -0.74 0.00 0.00 36.82 36.43 2ava h ILE 74 CO 0.10 0.15 0.62 -0.33 0.00 0.00 0.00 178.15 178.68 2ava h GLU 75 N 0.82 0.88 0.00 2.37 5.08 -0.97 0.14 114.58 122.90 2ava h GLU 75 Ca 0.53 -0.05 -0.04 0.00 -1.00 0.00 0.00 59.36 58.79 2ava h GLU 75 Cb 0.70 -0.20 -0.01 0.00 0.50 0.00 0.00 28.75 29.74 2ava h GLU 75 CO -0.34 0.59 -0.20 0.78 -1.00 0.00 0.00 179.01 178.84 2ava h GLY 76 N 0.91 0.00 1.16 -3.84 0.00 -0.81 -2.49 103.07 98.00 2ava h GLY 76 Ca 0.49 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.82 2ava h GLY 76 CO -0.26 0.00 -0.62 1.04 0.00 0.00 0.00 176.54 176.70 2ava n LEU 77 N -3.35 0.69 0.06 3.11 4.77 0.32 -3.74 117.00 118.86 2ava n LEU 77 Ca 0.00 0.22 0.11 0.00 -0.03 0.00 0.00 56.01 56.32 2ava n LEU 77 Cb 0.43 -0.19 -0.05 0.00 -2.33 0.00 0.00 43.42 41.29 2ava n LEU 77 CO 0.33 -0.05 -0.20 0.18 -1.33 0.00 0.00 177.39 176.31 2ava n LEU 78 N -2.09 0.57 -0.29 2.23 4.77 -0.24 -3.19 117.00 118.76 2ava n LEU 78 Ca 0.03 0.20 0.09 0.00 -0.03 0.00 0.00 56.01 56.30 2ava n LEU 78 Cb 0.44 -0.05 0.25 0.00 -2.33 0.00 0.00 43.42 41.73 2ava n LEU 78 CO 0.36 -0.11 1.06 -0.33 -1.33 0.00 0.00 177.39 177.04 2ava h GLU 79 N 0.00 0.48 -0.01 3.23 5.08 -1.54 -1.61 114.58 120.21 2ava h GLU 79 Ca 0.00 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.33 2ava h GLU 79 Cb 0.97 -0.11 0.00 0.00 0.50 0.00 0.00 28.75 30.11 2ava h GLU 79 CO 0.00 0.31 -0.47 0.36 -1.00 0.00 0.00 179.01 178.21 2ava n LYS 80 N -4.97 2.12 -3.63 2.33 -0.00 -1.26 -4.86 118.16 107.89 2ava n LYS 80 Ca 0.19 -0.39 -0.40 0.00 -0.00 0.00 0.00 58.31 57.71 2ava n LYS 80 Cb 0.53 -1.19 -0.10 0.00 -0.00 0.00 0.00 35.03 34.27 2ava n LYS 80 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.40 177.61 2ava s LYS 81 N -2.02 2.46 0.00 -1.58 2.36 -0.60 -5.17 119.74 115.19 2ava s LYS 81 Ca 0.09 -1.60 0.00 0.00 -2.55 0.00 0.00 55.97 51.91 2ava s LYS 81 Cb 0.11 -3.77 0.00 0.00 -1.05 0.00 0.00 37.83 33.12 2ava s LYS 81 CO 0.46 -1.03 0.00 0.00 1.55 0.00 0.00 175.35 176.33