#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1nei n GLY 2 N 0.00 -0.81 3.96 3.03 0.00 -1.26 -5.16 105.19 104.95 1nei n GLY 2 Ca 0.00 0.63 -0.19 0.00 0.00 0.00 0.00 46.02 46.47 1nei n GLY 2 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1nei s LYS 3 N 0.78 2.88 -0.63 1.61 3.01 -1.26 -5.07 119.74 121.06 1nei s LYS 3 Ca 0.29 -1.20 -0.08 0.00 -1.01 0.00 0.00 55.97 53.96 1nei s LYS 3 Cb 0.10 -2.69 0.16 0.00 -1.01 0.00 0.00 37.83 34.39 1nei s LYS 3 CO -0.11 -0.08 0.50 0.00 0.51 0.00 0.00 175.35 176.17 1nei s ALA 4 N -2.29 3.66 0.06 5.17 0.00 -1.26 -5.04 121.76 122.06 1nei s ALA 4 Ca 0.48 -3.03 0.01 0.00 0.00 0.00 0.00 51.96 49.43 1nei s ALA 4 Cb -0.08 -2.97 -0.03 0.00 0.00 0.00 0.00 23.12 20.03 1nei s ALA 4 CO 0.31 -2.09 -0.05 0.95 0.00 0.00 0.00 175.76 174.88 1nei s THR 5 N 0.50 0.44 -0.01 0.00 -4.23 -1.26 -4.67 115.64 106.41 1nei s THR 5 Ca 0.13 -1.53 0.02 0.00 -1.18 0.00 0.00 61.69 59.13 1nei s THR 5 Cb -0.19 -1.15 -0.00 0.00 1.34 0.00 0.00 72.50 72.49 1nei s THR 5 CO -0.04 -0.73 -0.06 -0.31 -0.54 0.00 0.00 174.62 172.94 1nei s TYR 6 N -2.81 0.57 -0.23 3.99 2.02 -0.79 -4.92 117.35 115.18 1nei s TYR 6 Ca 0.01 -0.11 -0.01 0.00 -0.37 0.00 0.00 57.07 56.59 1nei s TYR 6 Cb -0.00 -0.38 0.02 0.00 -0.40 0.00 0.00 41.96 41.19 1nei s TYR 6 CO -0.04 -0.02 -0.09 0.99 -1.57 0.00 0.00 175.55 174.81 1nei s THR 7 N -0.06 2.74 -0.20 -0.71 2.01 -1.26 0.10 115.64 118.26 1nei s THR 7 Ca 0.01 -0.93 -0.09 0.00 0.31 0.00 0.00 61.69 60.99 1nei s THR 7 Cb -0.03 -2.32 -0.05 0.00 0.01 0.00 0.00 72.50 70.11 1nei s THR 7 CO -0.00 0.31 0.11 -0.69 -0.69 0.00 0.00 174.62 173.66 1nei s VAL 8 N 1.33 5.15 -0.15 3.82 1.01 0.84 -4.90 120.40 127.51 1nei s VAL 8 Ca 0.02 0.10 0.02 0.00 0.00 0.00 0.00 61.98 62.12 1nei s VAL 8 Cb -0.15 -3.35 0.01 0.00 0.00 0.00 0.00 36.38 32.89 1nei s VAL 8 CO -0.06 0.42 -0.21 -0.89 0.00 0.00 0.00 175.10 174.37 1nei s THR 9 N 0.54 2.13 -0.18 3.92 2.01 -1.26 0.89 115.64 123.69 1nei s THR 9 Ca 0.06 -0.95 0.01 0.00 0.31 0.00 0.00 61.69 61.12 1nei s THR 9 Cb -0.12 -1.87 0.03 0.00 0.01 0.00 0.00 72.50 70.55 1nei s THR 9 CO 0.00 0.54 -0.17 -0.69 -0.69 0.00 0.00 174.62 173.62 1nei s VAL 10 N 0.94 1.89 -0.01 3.82 1.01 0.48 -4.94 120.40 123.59 1nei s VAL 10 Ca -0.04 -0.92 0.07 0.00 0.00 0.00 0.00 61.98 61.10 1nei s VAL 10 Cb -0.15 -1.77 -0.02 0.00 0.00 0.00 0.00 36.38 34.44 1nei s VAL 10 CO -0.04 0.43 -0.23 -0.89 0.00 0.00 0.00 175.10 174.37 1nei s THR 11 N 1.34 1.85 -0.56 3.92 2.01 -1.26 -0.75 115.64 122.19 1nei s THR 11 Ca 0.03 -1.05 -0.15 0.00 0.31 0.00 0.00 61.69 60.83 1nei s THR 11 Cb -0.14 -1.54 0.14 0.00 0.01 0.00 0.00 72.50 70.97 1nei s THR 11 CO -0.11 0.47 0.51 0.54 -0.69 0.00 0.00 174.62 175.34 1nei s ASN 12 N -0.67 6.20 0.36 3.53 2.20 0.17 -4.88 114.94 121.84 1nei s ASN 12 Ca 0.09 -1.88 0.21 0.00 -0.94 0.00 0.00 52.86 50.34 1nei s ASN 12 Cb -0.09 -2.19 1.15 0.00 -2.00 0.00 0.00 41.25 38.11 1nei s ASN 12 CO -0.00 -0.82 1.62 0.78 -2.94 0.00 0.00 177.10 175.73 1nei h ASN 13 N 8.76 0.00 0.42 3.54 2.35 -1.92 2.72 115.58 131.44 1nei h ASN 13 Ca -0.26 0.00 -0.22 0.00 -0.55 0.00 0.00 56.30 55.27 1nei h ASN 13 Cb 1.09 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 39.46 1nei h ASN 13 CO 1.00 0.00 -0.96 0.77 -1.65 0.00 0.00 177.43 176.59 1nei h SER 14 N 0.00 0.46 -0.01 5.81 4.64 -1.94 -3.27 113.55 119.24 1nei h SER 14 Ca 0.00 -0.38 0.00 0.00 -0.47 0.00 0.00 61.79 60.94 1nei h SER 14 Cb 0.19 -0.14 0.00 0.00 -0.31 0.00 0.00 62.40 62.13 1nei h SER 14 CO 0.00 1.19 -0.17 -3.20 -0.87 0.00 0.00 176.83 173.78 1nei n ASN 15 N -3.70 1.31 -0.30 4.97 5.15 0.13 -4.96 115.26 117.85 1nei n ASN 15 Ca -0.06 -1.16 -0.04 0.00 -0.60 0.00 0.00 54.58 52.72 1nei n ASN 15 Cb 0.85 0.39 -0.02 0.00 -0.53 0.00 0.00 39.78 40.48 1nei n ASN 15 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1nei n GLY 16 N 0.84 0.42 3.83 8.20 0.00 0.87 -4.94 105.19 114.41 1nei n GLY 16 Ca 0.04 -0.02 -0.36 0.00 0.00 0.00 0.00 46.02 45.68 1nei n GLY 16 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1nei s VAL 17 N -1.43 4.80 0.25 1.61 1.01 -1.09 -4.87 120.40 120.67 1nei s VAL 17 Ca 0.00 0.95 0.12 0.00 0.00 0.00 0.00 61.98 63.05 1nei s VAL 17 Cb 0.00 -3.78 -0.05 0.00 0.00 0.00 0.00 36.38 32.55 1nei s VAL 17 CO 0.00 0.30 -0.21 -0.55 0.00 0.00 0.00 175.10 174.63 1nei s SER 18 N -1.60 3.53 -0.21 3.32 0.15 -1.26 0.45 113.70 118.08 1nei s SER 18 Ca 0.37 -0.97 -0.11 0.00 0.70 0.00 0.00 55.95 55.94 1nei s SER 18 Cb -0.16 -0.28 0.07 0.00 -1.71 0.00 0.00 66.02 63.94 1nei s SER 18 CO 0.19 0.07 0.50 -0.69 1.20 0.00 0.00 173.24 174.51 1nei s VAL 19 N -2.21 -0.14 0.06 4.45 1.01 0.07 -4.93 120.40 118.71 1nei s VAL 19 Ca 0.27 0.07 0.10 0.00 0.00 0.00 0.00 61.98 62.41 1nei s VAL 19 Cb -0.06 -0.74 -0.03 0.00 0.00 0.00 0.00 36.38 35.54 1nei s VAL 19 CO 0.13 0.03 -0.26 -0.62 0.00 0.00 0.00 175.10 174.38 1nei s ASP 20 N 1.69 3.18 -0.03 3.32 -1.08 -1.26 0.18 116.67 122.66 1nei s ASP 20 Ca -0.09 -0.62 -0.01 0.00 -0.52 0.00 0.00 52.55 51.32 1nei s ASP 20 Cb -0.08 -0.27 0.03 0.00 -1.46 0.00 0.00 42.92 41.14 1nei s ASP 20 CO -0.15 0.24 0.05 -0.31 0.52 0.00 0.00 175.17 175.52 1nei s TYR 21 N -0.85 0.03 -0.40 -5.34 1.51 0.26 -4.97 117.35 107.58 1nei s TYR 21 Ca 0.12 0.19 -0.22 0.00 -1.01 0.00 0.00 57.07 56.16 1nei s TYR 21 Cb -0.10 -0.30 0.01 0.00 -0.11 0.00 0.00 41.96 41.46 1nei s TYR 21 CO 0.03 -0.13 0.70 -2.00 -1.11 0.00 0.00 175.55 173.04 1nei s GLU 22 N 1.42 3.51 -0.05 -0.62 2.12 -1.26 -0.11 118.70 123.71 1nei s GLU 22 Ca -0.05 -0.06 -0.01 0.00 0.36 0.00 0.00 54.97 55.20 1nei s GLU 22 Cb -0.13 -3.88 0.03 0.00 0.26 0.00 0.00 34.13 30.41 1nei s GLU 22 CO -0.03 -0.92 0.03 -0.08 -0.54 0.00 0.00 175.26 173.72 1nei s THR 23 N 2.94 0.08 -0.78 -1.70 -1.32 0.28 -4.98 115.64 110.15 1nei s THR 23 Ca 0.26 0.28 -0.21 0.00 -1.21 0.00 0.00 61.69 60.82 1nei s THR 23 Cb -0.14 -0.28 0.10 0.00 -1.51 0.00 0.00 72.50 70.67 1nei s THR 23 CO 0.18 0.19 1.03 -1.83 -2.21 0.00 0.00 174.62 171.99 1nei s GLU 24 N 1.90 3.33 -0.14 7.08 -1.05 -1.26 -1.89 118.70 126.67 1nei s GLU 24 Ca 0.02 -1.27 -0.02 0.00 -0.15 0.00 0.00 54.97 53.55 1nei s GLU 24 Cb -0.12 -4.56 0.04 0.00 -0.44 0.00 0.00 34.13 29.04 1nei s GLU 24 CO -0.03 -1.80 -0.00 0.95 0.95 0.00 0.00 175.26 175.33 1nei s THR 25 N 3.42 0.60 0.00 1.83 -4.23 -1.26 -4.91 115.64 111.09 1nei s THR 25 Ca 0.27 -0.29 0.00 0.00 -1.18 0.00 0.00 61.69 60.49 1nei s THR 25 Cb -0.12 -0.88 0.00 0.00 1.34 0.00 0.00 72.50 72.84 1nei s THR 25 CO 0.01 0.07 0.02 -0.81 -0.54 0.00 0.00 174.62 173.36 1nei n PRO 26 N 5.05 0.00 0.13 3.99 -0.04 -1.26 -4.13 135.00 138.74 1nei n PRO 26 Ca -0.09 0.00 -0.01 0.00 -0.04 0.00 0.00 63.50 63.36 1nei n PRO 26 Cb 0.49 -0.19 0.14 0.00 -0.04 0.00 0.00 33.50 33.89 1nei n PRO 26 CO 0.00 0.00 0.00 0.52 -0.04 0.00 0.00 175.50 175.98 1nei h MET 27 N 0.00 0.00 -0.20 0.54 2.86 -2.02 -3.03 114.93 113.07 1nei h MET 27 Ca 0.00 0.00 0.06 0.00 -2.06 0.00 0.00 59.70 57.70 1nei h MET 27 Cb 0.00 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 31.65 1nei h MET 27 CO 0.00 0.64 0.50 1.15 1.06 0.00 0.00 176.91 180.26 1nei h THR 28 N 0.00 0.12 -0.33 2.22 2.02 -1.94 0.77 112.91 115.77 1nei h THR 28 Ca -0.01 0.00 -0.02 0.00 0.77 0.00 0.00 66.41 67.16 1nei h THR 28 Cb 1.20 0.54 -0.02 0.00 -1.74 0.00 0.00 68.15 68.14 1nei h THR 28 CO 0.08 0.00 0.14 -0.07 0.37 0.00 0.00 175.52 176.04 1nei h LEU 29 N 0.00 0.42 0.00 2.58 3.38 -1.68 -0.72 115.31 119.28 1nei h LEU 29 Ca 0.09 -0.04 -0.13 0.00 0.09 0.00 0.00 57.88 57.90 1nei h LEU 29 Cb 1.10 -0.11 -0.02 0.00 0.09 0.00 0.00 40.66 41.72 1nei h LEU 29 CO -0.00 0.38 -0.79 -0.07 0.09 0.00 0.00 178.44 178.04 1nei h LEU 30 N 0.47 0.00 -9.74 1.67 3.38 0.34 -3.43 115.31 108.00 1nei h LEU 30 Ca 0.12 0.00 -0.53 0.00 0.09 0.00 0.00 57.88 57.56 1nei h LEU 30 Cb 0.09 0.00 0.08 0.00 0.09 0.00 0.00 40.66 40.92 1nei h LEU 30 CO -0.01 0.57 0.92 0.52 0.09 0.00 0.00 178.44 180.53 1nei n VAL 31 N -3.15 0.67 -0.00 1.22 0.31 -0.28 -4.90 118.33 112.20 1nei n VAL 31 Ca -0.01 -0.17 -0.17 0.00 -0.01 0.00 0.00 64.34 63.98 1nei n VAL 31 Cb 0.78 -1.96 -0.10 0.00 -0.91 0.00 0.00 33.84 31.65 1nei n VAL 31 CO 0.00 0.00 0.00 1.55 -1.32 0.00 0.00 176.83 177.06 1nei h PRO 32 N 5.45 0.49 -0.83 5.55 0.13 -1.88 0.23 132.00 141.14 1nei h PRO 32 Ca -0.46 -0.48 0.03 0.00 -0.87 0.00 0.00 66.00 64.23 1nei h PRO 32 Cb 1.22 0.12 -0.05 0.00 0.13 0.00 0.00 31.00 32.42 1nei h PRO 32 CO 0.85 1.12 0.55 0.93 -0.23 0.00 0.00 178.00 181.21 1nei h GLU 33 N 0.04 1.01 0.16 0.86 5.08 -1.92 2.05 114.58 121.86 1nei h GLU 33 Ca -0.07 -0.06 -0.22 0.00 -1.00 0.00 0.00 59.36 58.02 1nei h GLU 33 Cb 1.31 -0.23 0.03 0.00 0.50 0.00 0.00 28.75 30.35 1nei h GLU 33 CO 0.13 0.67 -0.94 0.28 -1.00 0.00 0.00 179.01 178.14 1nei h VAL 34 N 1.04 1.46 -0.40 3.13 2.07 -1.81 -2.26 116.25 119.49 1nei h VAL 34 Ca 0.33 -2.56 -0.03 0.00 0.82 0.00 0.00 66.70 65.26 1nei h VAL 34 Cb 0.01 3.15 -0.02 0.00 -1.52 0.00 0.00 31.29 32.92 1nei h VAL 34 CO -0.09 0.73 0.14 0.00 0.02 0.00 0.00 177.57 178.37 1nei h ALA 35 N 0.11 0.52 -0.06 1.67 0.00 -0.09 0.46 119.26 121.86 1nei h ALA 35 Ca -0.16 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.60 1nei h ALA 35 Cb 1.74 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 19.37 1nei h ALA 35 CO 0.18 0.14 0.04 0.00 0.00 0.00 0.00 179.25 179.61 1nei h ALA 36 N 0.99 0.08 -0.39 0.00 0.00 0.32 0.60 119.26 120.86 1nei h ALA 36 Ca 0.13 -0.00 -0.04 0.00 0.00 0.00 0.00 54.91 55.00 1nei h ALA 36 Cb 0.22 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 17.97 1nei h ALA 36 CO -0.01 -0.43 0.07 0.93 0.00 0.00 0.00 179.25 179.81 1nei h GLU 37 N 0.08 0.58 -0.15 0.00 4.39 -1.18 0.89 114.58 119.19 1nei h GLU 37 Ca 0.02 -0.11 -0.05 0.00 0.34 0.00 0.00 59.36 59.57 1nei h GLU 37 Cb -0.01 -0.09 -0.00 0.00 -0.10 0.00 0.00 28.75 28.54 1nei h GLU 37 CO -0.01 0.55 -0.09 0.28 -1.16 0.00 0.00 179.01 178.59 1nei h VAL 38 N 0.56 1.32 -0.21 3.13 2.07 0.64 1.48 116.25 125.24 1nei h VAL 38 Ca 0.13 -1.17 -0.05 0.00 0.82 0.00 0.00 66.70 66.43 1nei h VAL 38 Cb 0.25 1.78 -0.01 0.00 -1.52 0.00 0.00 31.29 31.80 1nei h VAL 38 CO 0.00 0.34 -0.05 0.40 0.02 0.00 0.00 177.57 178.28 1nei h ILE 39 N -0.03 1.28 -0.37 4.57 1.08 0.58 0.21 117.51 124.85 1nei h ILE 39 Ca 0.03 -1.04 -0.07 0.00 -0.39 0.00 0.00 64.86 63.40 1nei h ILE 39 Cb 0.58 1.53 -0.01 0.00 -3.07 0.00 0.00 36.82 35.84 1nei h ILE 39 CO 0.03 0.32 -0.02 0.50 -0.69 0.00 0.00 178.15 178.28 1nei h LYS 40 N 0.14 0.67 -0.41 2.37 3.11 0.81 0.53 116.57 123.79 1nei h LYS 40 Ca 0.05 -0.22 0.01 0.00 -2.81 0.00 0.00 60.65 57.68 1nei h LYS 40 Cb 0.50 -0.05 -0.02 0.00 -1.00 0.00 0.00 32.23 31.65 1nei h LYS 40 CO 0.02 0.79 0.26 0.22 -2.81 0.00 0.00 179.45 177.93 1nei h ASP 41 N 0.48 0.44 0.02 4.20 3.58 0.22 1.76 116.42 127.11 1nei h ASP 41 Ca 0.10 -0.01 -0.00 0.00 0.42 0.00 0.00 57.03 57.55 1nei h ASP 41 Cb 0.50 -0.10 0.00 0.00 1.72 0.00 0.00 39.33 41.45 1nei h ASP 41 CO 0.02 0.32 -0.01 -0.07 -2.88 0.00 0.00 179.24 176.62 1nei h LEU 42 N 0.53 -0.02 -0.49 2.28 4.07 -0.39 -1.15 115.31 120.14 1nei h LEU 42 Ca 0.16 -0.30 0.01 0.00 0.08 0.00 0.00 57.88 57.83 1nei h LEU 42 Cb -0.03 0.01 -0.03 0.00 1.08 0.00 0.00 40.66 41.68 1nei h LEU 42 CO -0.05 0.29 0.30 0.58 -1.08 0.00 0.00 178.44 178.48 1nei h VAL 43 N -0.33 1.08 -0.86 1.22 2.07 0.35 0.29 116.25 120.07 1nei h VAL 43 Ca -0.00 -0.21 0.10 0.00 0.82 0.00 0.00 66.70 67.41 1nei h VAL 43 Cb 0.32 0.42 -0.06 0.00 -1.52 0.00 0.00 31.29 30.44 1nei h VAL 43 CO 0.00 0.11 0.56 0.78 0.02 0.00 0.00 177.57 179.04 1nei h ASN 44 N 0.61 0.73 -0.12 0.57 2.35 0.28 0.50 115.58 120.50 1nei h ASN 44 Ca 0.19 0.02 -0.13 0.00 -0.55 0.00 0.00 56.30 55.84 1nei h ASN 44 Cb -0.02 -0.13 0.00 0.00 0.05 0.00 0.00 38.32 38.22 1nei h ASN 44 CO -0.07 0.42 -0.42 0.74 -1.65 0.00 0.00 177.43 176.46 1nei h THR 45 N 0.80 1.37 -0.81 2.81 2.02 0.11 0.51 112.91 119.73 1nei h THR 45 Ca 0.40 -1.73 0.00 0.00 0.77 0.00 0.00 66.41 65.85 1nei h THR 45 Cb 0.47 2.13 -0.04 0.00 -1.74 0.00 0.00 68.15 68.97 1nei h THR 45 CO -0.17 0.52 0.51 0.58 0.37 0.00 0.00 175.52 177.32 1nei h VAL 46 N 0.09 1.22 0.00 3.16 2.07 0.73 -1.49 116.25 122.04 1nei h VAL 46 Ca -0.02 -0.45 -0.13 0.00 0.82 0.00 0.00 66.70 66.92 1nei h VAL 46 Cb 1.05 0.07 -0.02 0.00 -1.52 0.00 0.00 31.29 30.87 1nei h VAL 46 CO 0.09 0.22 -0.63 0.03 0.02 0.00 0.00 177.57 177.30 1nei h ARG 47 N 1.10 0.00 -0.68 1.57 2.47 -0.05 -3.10 114.38 115.70 1nei h ARG 47 Ca 0.29 0.00 0.10 0.00 -1.26 0.00 0.00 59.98 59.11 1nei h ARG 47 Cb -0.08 0.00 -0.08 0.00 -1.65 0.00 0.00 29.97 28.17 1nei h ARG 47 CO -0.06 0.63 0.30 0.77 0.56 0.00 0.00 179.97 182.17 1nei h SER 48 N 0.00 0.34 0.44 7.04 0.02 0.19 0.61 113.55 122.18 1nei h SER 48 Ca -0.01 0.08 -0.11 0.00 -0.84 0.00 0.00 61.79 60.91 1nei h SER 48 Cb 1.12 0.03 -0.01 0.00 0.14 0.00 0.00 62.40 63.67 1nei h SER 48 CO 0.08 0.18 -0.48 0.22 -1.14 0.00 0.00 176.83 175.70 1nei h TYR 49 N 0.50 0.06 -0.75 3.45 3.20 -1.43 -3.21 116.97 118.78 1nei h TYR 49 Ca 0.35 -0.02 0.08 0.00 3.14 0.00 0.00 58.73 62.28 1nei h TYR 49 Cb 0.42 -0.01 -0.11 0.00 1.54 0.00 0.00 36.73 38.57 1nei h TYR 49 CO -0.14 0.52 -0.53 0.22 -1.64 0.00 0.00 178.16 176.59 1nei h ASP 50 N 0.04 -1.89 -3.37 -2.11 1.82 -0.81 -3.40 116.42 106.70 1nei h ASP 50 Ca -0.00 0.29 -0.46 0.00 -0.39 0.00 0.00 57.03 56.47 1nei h ASP 50 Cb 0.87 0.83 0.10 0.00 0.68 0.00 0.00 39.33 41.81 1nei h ASP 50 CO 0.06 -0.31 0.25 0.28 -1.61 0.00 0.00 179.24 177.92 1nei s THR 51 N -5.65 2.16 -0.12 2.25 -1.32 -1.20 -5.03 115.64 106.73 1nei s THR 51 Ca -0.13 -0.29 -0.10 0.00 -1.21 0.00 0.00 61.69 59.96 1nei s THR 51 Cb 0.12 -2.87 -0.26 0.00 -1.51 0.00 0.00 72.50 67.98 1nei s THR 51 CO 0.64 0.00 0.39 1.05 -2.21 0.00 0.00 174.62 174.48 1nei h GLU 52 N -0.87 0.24 -5.87 7.08 4.11 -1.82 -3.47 114.58 113.98 1nei h GLU 52 Ca -0.42 -0.41 -0.68 0.00 0.07 0.00 0.00 59.36 57.92 1nei h GLU 52 Cb 1.28 0.15 -0.28 0.00 0.50 0.00 0.00 28.75 30.40 1nei h GLU 52 CO 0.48 1.20 -0.82 0.54 0.07 0.00 0.00 179.01 180.48 1nei s ASN 53 N -7.05 3.56 -0.03 3.06 2.20 -1.26 -4.99 114.94 110.43 1nei s ASN 53 Ca -0.23 -0.39 0.01 0.00 -0.94 0.00 0.00 52.86 51.32 1nei s ASN 53 Cb 0.06 -1.08 -0.02 0.00 -2.00 0.00 0.00 41.25 38.21 1nei s ASN 53 CO 0.75 0.24 -0.02 -1.84 -2.94 0.00 0.00 177.10 173.30 1nei n GLU 54 N 2.97 1.03 0.00 3.55 0.00 -1.26 -5.03 120.64 121.89 1nei n GLU 54 Ca -0.18 0.01 0.00 0.00 0.00 0.00 0.00 57.16 57.00 1nei n GLU 54 Cb 0.52 -1.06 0.00 0.00 0.00 0.00 0.00 31.44 30.90 1nei n GLU 54 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.13 177.85 1nei n HIS 55 N -2.46 0.00 -3.76 -1.84 8.25 -1.26 -4.24 115.22 109.92 1nei n HIS 55 Ca -0.05 0.00 -0.36 0.00 -0.26 0.00 0.00 57.72 57.05 1nei n HIS 55 Cb 0.56 0.00 -0.07 0.00 1.12 0.00 0.00 29.99 31.60 1nei n HIS 55 CO 0.00 0.00 0.00 0.16 0.64 0.00 0.00 176.34 177.14 1nei s ASP 56 N -4.00 6.31 -0.02 0.41 -4.77 -1.26 -5.04 116.67 108.30 1nei s ASP 56 Ca 0.00 0.36 -0.30 0.00 -3.30 0.00 0.00 52.55 49.31 1nei s ASP 56 Cb 0.00 -2.10 -0.07 0.00 -1.09 0.00 0.00 42.92 39.67 1nei s ASP 56 CO 0.00 0.26 1.78 0.68 0.70 0.00 0.00 175.17 178.59 1nei s VAL 57 N -0.15 3.36 -0.37 2.11 -7.23 -1.26 -4.87 120.40 111.98 1nei s VAL 57 Ca 0.12 0.43 0.12 0.00 -1.81 0.00 0.00 61.98 60.83 1nei s VAL 57 Cb -0.12 -3.28 0.44 0.00 0.56 0.00 0.00 36.38 33.99 1nei s VAL 57 CO 0.01 -0.04 1.05 0.00 -0.31 0.00 0.00 175.10 175.81 1nei n GLY 59 N -0.33 -1.50 0.43 0.00 0.00 -1.26 -5.25 105.19 97.27 1nei n GLY 59 Ca 0.25 0.40 0.05 0.00 0.00 0.00 0.00 46.02 46.73 1nei n GLY 59 CO 0.00 0.00 0.00 1.87 0.00 0.00 0.00 173.32 175.19