#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 -0.53 3.98 -5.12 0.00 -1.26 -5.15 105.19 97.11 1nei n GLY 2 Ca 0.00 0.16 -0.18 0.00 0.00 0.00 0.00 46.02 46.00 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 -2.00 2.84 -0.65 1.61 -0.14 -1.26 -5.07 119.74 115.08 1nei s LYS 3 Ca 0.00 -1.24 -0.10 0.00 -1.36 0.00 0.00 55.97 53.28 1nei s LYS 3 Cb 0.00 -2.71 0.17 0.00 -1.68 0.00 0.00 37.83 33.61 1nei s LYS 3 CO 0.00 -0.18 0.54 0.00 -0.76 0.00 0.00 175.35 174.95 1nei s ALA 4 N -2.33 3.71 0.15 5.17 0.00 -1.26 -5.03 121.76 122.18 1nei s ALA 4 Ca 0.52 -3.02 0.00 0.00 0.00 0.00 0.00 51.96 49.46 1nei s ALA 4 Cb -0.09 -3.07 -0.04 0.00 0.00 0.00 0.00 23.12 19.92 1nei s ALA 4 CO 0.32 -2.10 0.03 0.95 0.00 0.00 0.00 175.76 174.95 1nei s THR 5 N 0.56 0.40 0.01 0.00 -4.23 -1.26 -4.62 115.64 106.50 1nei s THR 5 Ca 0.13 -1.94 0.01 0.00 -1.18 0.00 0.00 61.69 58.70 1nei s THR 5 Cb -0.19 -2.08 -0.01 0.00 1.34 0.00 0.00 72.50 71.56 1nei s THR 5 CO -0.04 -0.48 -0.03 -0.31 -0.54 0.00 0.00 174.62 173.22 1nei s TYR 6 N -3.84 0.29 -0.30 3.99 1.51 -0.90 -4.89 117.35 113.20 1nei s TYR 6 Ca 0.24 -0.16 -0.02 0.00 -1.01 0.00 0.00 57.07 56.12 1nei s TYR 6 Cb 0.07 -0.19 0.05 0.00 -0.11 0.00 0.00 41.96 41.78 1nei s TYR 6 CO 0.03 -0.04 0.01 0.99 -1.11 0.00 0.00 175.55 175.43 1nei s THR 7 N -0.38 2.99 -0.26 -0.71 2.01 -1.26 -0.54 115.64 117.49 1nei s THR 7 Ca -0.02 -1.42 -0.08 0.00 0.31 0.00 0.00 61.69 60.48 1nei s THR 7 Cb -0.03 -2.74 -0.03 0.00 0.01 0.00 0.00 72.50 69.71 1nei s THR 7 CO -0.00 -0.13 0.09 -0.69 -0.69 0.00 0.00 174.62 173.20 1nei s VAL 8 N 1.24 4.45 -0.16 3.82 1.01 -0.31 -4.96 120.40 125.49 1nei s VAL 8 Ca -0.05 -0.15 0.00 0.00 0.00 0.00 0.00 61.98 61.78 1nei s VAL 8 Cb -0.20 -3.10 0.00 0.00 0.00 0.00 0.00 36.38 33.08 1nei s VAL 8 CO -0.01 0.31 -0.15 -0.89 0.00 0.00 0.00 175.10 174.35 1nei s THR 9 N 1.63 2.62 -0.14 3.92 2.01 -1.26 -0.12 115.64 124.30 1nei s THR 9 Ca 0.06 -0.78 0.01 0.00 0.31 0.00 0.00 61.69 61.30 1nei s THR 9 Cb -0.15 -2.11 -0.00 0.00 0.01 0.00 0.00 72.50 70.24 1nei s THR 9 CO 0.05 0.51 -0.18 -0.69 -0.69 0.00 0.00 174.62 173.62 1nei s VAL 10 N 0.96 2.49 -0.01 3.82 1.01 0.55 -4.93 120.40 124.28 1nei s VAL 10 Ca -0.03 -0.84 0.03 0.00 0.00 0.00 0.00 61.98 61.14 1nei s VAL 10 Cb -0.15 -2.02 -0.01 0.00 0.00 0.00 0.00 36.38 34.20 1nei s VAL 10 CO -0.02 0.53 -0.11 -0.89 0.00 0.00 0.00 175.10 174.61 1nei s THR 11 N 0.64 0.84 -0.55 3.92 2.01 -1.26 0.92 115.64 122.16 1nei s THR 11 Ca -0.09 -0.45 -0.15 0.00 0.31 0.00 0.00 61.69 61.30 1nei s THR 11 Cb -0.16 -0.70 0.13 0.00 0.01 0.00 0.00 72.50 71.78 1nei s THR 11 CO 0.02 0.24 0.50 0.54 -0.69 0.00 0.00 174.62 175.23 1nei s ASN 12 N -0.22 6.17 0.37 3.53 2.20 0.17 -4.88 114.94 122.27 1nei s ASN 12 Ca 0.04 -1.84 0.22 0.00 -0.94 0.00 0.00 52.86 50.34 1nei s ASN 12 Cb -0.04 -2.19 1.22 0.00 -2.00 0.00 0.00 41.25 38.23 1nei s ASN 12 CO -0.00 -0.83 1.67 0.78 -2.94 0.00 0.00 177.10 175.77 1nei h ASN 13 N 8.80 0.00 0.47 3.54 2.35 -1.92 2.65 115.58 131.47 1nei h ASN 13 Ca -0.27 0.00 -0.22 0.00 -0.55 0.00 0.00 56.30 55.25 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 1.01 0.00 -0.97 -1.28 -1.65 0.00 0.00 177.43 174.54 1nei h SER 14 N 0.00 0.42 -0.01 5.81 0.87 -1.94 -3.27 113.55 115.43 1nei h SER 14 Ca 0.00 -0.36 0.00 0.00 -1.23 0.00 0.00 61.79 60.20 1nei h SER 14 Cb 0.15 -0.13 0.00 0.00 -0.44 0.00 0.00 62.40 61.98 1nei h SER 14 CO 0.00 1.18 -0.22 -3.20 -0.53 0.00 0.00 176.83 174.06 1nei n ASN 15 N -3.68 1.24 -0.14 6.23 5.15 0.11 -4.96 115.26 119.21 1nei n ASN 15 Ca -0.06 -1.12 -0.02 0.00 -0.60 0.00 0.00 54.58 52.78 1nei n ASN 15 Cb 0.86 0.47 -0.01 0.00 -0.53 0.00 0.00 39.78 40.57 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 0.91 0.25 3.84 8.20 0.00 0.85 -4.95 105.19 114.29 1nei n GLY 16 Ca 0.04 -0.02 -0.35 0.00 0.00 0.00 0.00 46.02 45.69 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 -1.31 4.77 0.27 1.61 1.01 -1.08 -4.88 120.40 120.79 1nei s VAL 17 Ca 0.00 0.96 0.12 0.00 0.00 0.00 0.00 61.98 63.06 1nei s VAL 17 Cb 0.00 -3.77 -0.05 0.00 0.00 0.00 0.00 36.38 32.56 1nei s VAL 17 CO 0.00 0.22 -0.20 -0.55 0.00 0.00 0.00 175.10 174.57 1nei s SER 18 N -1.72 3.56 -0.21 3.32 0.15 -1.26 0.41 113.70 117.95 1nei s SER 18 Ca 0.40 -1.02 -0.09 0.00 0.70 0.00 0.00 55.95 55.93 1nei s SER 18 Cb -0.15 -0.29 0.08 0.00 -1.71 0.00 0.00 66.02 63.95 1nei s SER 18 CO 0.20 0.04 0.47 -0.69 1.20 0.00 0.00 173.24 174.46 1nei s VAL 19 N -2.49 -0.41 -0.04 4.45 1.01 0.26 -4.92 120.40 118.26 1nei s VAL 19 Ca 0.29 0.11 0.05 0.00 0.00 0.00 0.00 61.98 62.43 1nei s VAL 19 Cb -0.05 -0.72 -0.02 0.00 0.00 0.00 0.00 36.38 35.58 1nei s VAL 19 CO 0.15 0.04 -0.18 -1.81 0.00 0.00 0.00 175.10 173.30 1nei s ASP 20 N 2.15 3.70 -0.03 3.32 1.11 -1.26 0.21 116.67 125.86 1nei s ASP 20 Ca -0.06 -0.29 -0.01 0.00 0.18 0.00 0.00 52.55 52.38 1nei s ASP 20 Cb -0.10 -0.71 0.03 0.00 1.07 0.00 0.00 42.92 43.20 1nei s ASP 20 CO -0.14 0.33 0.04 -0.31 1.18 0.00 0.00 175.17 176.27 1nei s TYR 21 N -0.65 0.04 -0.38 4.23 2.02 0.83 -4.98 117.35 118.46 1nei s TYR 21 Ca 0.10 0.17 -0.19 0.00 -0.37 0.00 0.00 57.07 56.78 1nei s TYR 21 Cb -0.11 -0.32 0.01 0.00 -0.40 0.00 0.00 41.96 41.14 1nei s TYR 21 CO 0.00 -0.12 0.57 -2.00 -1.57 0.00 0.00 175.55 172.43 1nei s GLU 22 N 1.43 3.51 -0.06 -0.62 2.12 -1.26 -1.16 118.70 122.67 1nei s GLU 22 Ca -0.04 -0.20 -0.02 0.00 0.36 0.00 0.00 54.97 55.06 1nei s GLU 22 Cb -0.13 -3.85 0.03 0.00 0.26 0.00 0.00 34.13 30.44 1nei s GLU 22 CO -0.03 -0.77 0.04 -0.08 -0.54 0.00 0.00 175.26 173.88 1nei s THR 23 N 2.55 0.11 -0.79 -1.70 -1.32 0.30 -4.99 115.64 109.80 1nei s THR 23 Ca 0.20 0.26 -0.21 0.00 -1.21 0.00 0.00 61.69 60.74 1nei s THR 23 Cb -0.15 -0.34 0.09 0.00 -1.51 0.00 0.00 72.50 70.59 1nei s THR 23 CO 0.15 0.20 1.07 -1.83 -2.21 0.00 0.00 174.62 171.99 1nei s GLU 24 N 2.08 3.32 -0.14 7.08 1.03 -1.26 -2.12 118.70 128.69 1nei s GLU 24 Ca 0.05 -1.18 -0.02 0.00 0.03 0.00 0.00 54.97 53.85 1nei s GLU 24 Cb -0.12 -4.56 0.04 0.00 -0.80 0.00 0.00 34.13 28.69 1nei s GLU 24 CO -0.04 -1.84 0.00 0.95 -1.33 0.00 0.00 175.26 173.00 1nei s THR 25 N 3.67 0.61 0.00 1.83 -4.23 -1.26 -4.91 115.64 111.34 1nei s THR 25 Ca 0.28 -0.30 0.00 0.00 -1.18 0.00 0.00 61.69 60.49 1nei s THR 25 Cb -0.11 -0.90 0.00 0.00 1.34 0.00 0.00 72.50 72.83 1nei s THR 25 CO 0.02 0.06 0.00 -0.81 -0.54 0.00 0.00 174.62 173.35 1nei n PRO 26 N 5.05 0.00 0.13 3.99 -0.04 -1.26 -4.02 135.00 138.85 1nei n PRO 26 Ca -0.09 0.00 -0.00 0.00 -0.04 0.00 0.00 63.50 63.37 1nei n PRO 26 Cb 0.48 -0.12 0.13 0.00 -0.04 0.00 0.00 33.50 33.96 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 -0.72 0.54 2.86 -2.03 -3.09 114.93 112.49 1nei h MET 27 Ca 0.00 0.00 0.20 0.00 -2.06 0.00 0.00 59.70 57.84 1nei h MET 27 Cb 0.00 0.00 -0.03 0.00 0.06 0.00 0.00 31.60 31.63 1nei h MET 27 CO 0.00 0.63 0.51 1.15 1.06 0.00 0.00 176.91 180.26 1nei h THR 28 N 0.00 0.66 -0.71 2.22 2.02 -1.95 0.41 112.91 115.57 1nei h THR 28 Ca -0.01 -0.02 0.21 0.00 0.77 0.00 0.00 66.41 67.36 1nei h THR 28 Cb 1.23 0.59 -0.03 0.00 -1.74 0.00 0.00 68.15 68.20 1nei h THR 28 CO 0.08 0.01 0.53 -0.07 0.37 0.00 0.00 175.52 176.45 1nei h LEU 29 N 0.06 0.00 0.00 2.58 3.38 -1.67 0.91 115.31 120.58 1nei h LEU 29 Ca 0.35 0.00 -0.23 0.00 0.09 0.00 0.00 57.88 58.09 1nei h LEU 29 Cb 1.29 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 42.01 1nei h LEU 29 CO -0.03 0.00 -1.17 -0.07 0.09 0.00 0.00 178.44 177.26 1nei h LEU 30 N 0.00 0.01 -9.65 1.67 3.38 -0.40 -3.43 115.31 106.90 1nei h LEU 30 Ca 0.34 -0.01 -0.57 0.00 0.09 0.00 0.00 57.88 57.73 1nei h LEU 30 Cb 1.40 -0.00 0.08 0.00 0.09 0.00 0.00 40.66 42.23 1nei h LEU 30 CO -0.00 1.01 0.70 0.52 0.09 0.00 0.00 178.44 180.76 1nei n VAL 31 N -3.28 0.93 0.00 1.22 0.31 0.32 -4.88 118.33 112.95 1nei n VAL 31 Ca -0.04 -0.23 -0.18 0.00 -0.01 0.00 0.00 64.34 63.88 1nei n VAL 31 Cb 0.97 -1.63 -0.10 0.00 -0.91 0.00 0.00 33.84 32.17 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 4.46 0.58 -0.73 5.55 0.13 -1.89 0.21 132.00 140.31 1nei h PRO 32 Ca -0.46 -0.56 0.04 0.00 -0.87 0.00 0.00 66.00 64.15 1nei h PRO 32 Cb 1.26 0.14 -0.04 0.00 0.13 0.00 0.00 31.00 32.49 1nei h PRO 32 CO 0.77 1.18 0.48 0.93 -0.23 0.00 0.00 178.00 181.13 1nei h GLU 33 N 0.18 0.84 0.10 0.86 5.08 -1.92 2.50 114.58 122.22 1nei h GLU 33 Ca -0.08 -0.05 -0.16 0.00 -1.00 0.00 0.00 59.36 58.07 1nei h GLU 33 Cb 1.40 -0.19 0.01 0.00 0.50 0.00 0.00 28.75 30.47 1nei h GLU 33 CO 0.15 0.56 -0.76 0.28 -1.00 0.00 0.00 179.01 178.23 1nei h VAL 34 N 0.87 1.47 -0.14 3.13 2.07 -1.82 -2.54 116.25 119.28 1nei h VAL 34 Ca 0.29 -2.46 -0.01 0.00 0.82 0.00 0.00 66.70 65.35 1nei h VAL 34 Cb 0.08 3.12 -0.01 0.00 -1.52 0.00 0.00 31.29 32.97 1nei h VAL 34 CO -0.09 0.67 0.06 0.00 0.02 0.00 0.00 177.57 178.23 1nei h ALA 35 N 0.02 0.18 -0.27 1.67 0.00 -0.17 0.35 119.26 121.03 1nei h ALA 35 Ca -0.15 -0.10 0.04 0.00 0.00 0.00 0.00 54.91 54.70 1nei h ALA 35 Cb 1.51 -0.05 -0.04 0.00 0.00 0.00 0.00 17.79 19.21 1nei h ALA 35 CO 0.09 -0.23 0.04 0.00 0.00 0.00 0.00 179.25 179.14 1nei h ALA 36 N 0.90 0.27 -0.43 0.00 0.00 0.42 0.70 119.26 121.12 1nei h ALA 36 Ca 0.05 0.06 -0.04 0.00 0.00 0.00 0.00 54.91 54.98 1nei h ALA 36 Cb 0.17 0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.02 1nei h ALA 36 CO -0.00 -0.38 0.12 1.49 0.00 0.00 0.00 179.25 180.48 1nei h GLU 37 N 0.13 0.63 -0.19 0.00 4.81 -1.22 0.93 114.58 119.68 1nei h GLU 37 Ca 0.13 -0.11 -0.06 0.00 -0.13 0.00 0.00 59.36 59.19 1nei h GLU 37 Cb 0.14 -0.11 -0.00 0.00 0.63 0.00 0.00 28.75 29.41 1nei h GLU 37 CO -0.18 0.57 -0.11 0.28 -0.73 0.00 0.00 179.01 178.84 1nei h VAL 38 N 0.62 1.31 -0.25 0.32 2.07 0.11 1.66 116.25 122.10 1nei h VAL 38 Ca 0.14 -1.19 -0.06 0.00 0.82 0.00 0.00 66.70 66.42 1nei h VAL 38 Cb 0.21 1.69 -0.01 0.00 -1.52 0.00 0.00 31.29 31.66 1nei h VAL 38 CO -0.01 0.36 -0.09 0.40 0.02 0.00 0.00 177.57 178.25 1nei h ILE 39 N 0.09 1.29 -0.26 4.57 1.08 0.80 0.23 117.51 125.31 1nei h ILE 39 Ca 0.04 -1.14 -0.06 0.00 -0.39 0.00 0.00 64.86 63.31 1nei h ILE 39 Cb 0.60 1.52 -0.01 0.00 -3.07 0.00 0.00 36.82 35.86 1nei h ILE 39 CO 0.03 0.36 -0.08 0.50 -0.69 0.00 0.00 178.15 178.26 1nei h LYS 40 N 0.24 0.51 -0.60 2.37 3.11 0.90 0.39 116.57 123.49 1nei h LYS 40 Ca 0.06 -0.21 0.02 0.00 -2.81 0.00 0.00 60.65 57.71 1nei h LYS 40 Cb 0.58 -0.02 -0.03 0.00 -1.00 0.00 0.00 32.23 31.75 1nei h LYS 40 CO 0.03 0.74 0.38 0.22 -2.81 0.00 0.00 179.45 178.02 1nei h ASP 41 N 0.25 0.64 0.10 4.20 3.58 0.25 1.54 116.42 126.99 1nei h ASP 41 Ca 0.06 -0.01 -0.00 0.00 0.42 0.00 0.00 57.03 57.50 1nei h ASP 41 Cb 0.57 -0.15 0.00 0.00 1.72 0.00 0.00 39.33 41.47 1nei h ASP 41 CO 0.03 0.46 -0.05 -0.07 -2.88 0.00 0.00 179.24 176.73 1nei h LEU 42 N 0.77 -0.11 -0.59 2.28 4.07 -0.40 -1.30 115.31 120.03 1nei h LEU 42 Ca 0.23 -0.27 0.02 0.00 0.08 0.00 0.00 57.88 57.95 1nei h LEU 42 Cb -0.04 0.03 -0.04 0.00 1.08 0.00 0.00 40.66 41.69 1nei h LEU 42 CO -0.07 0.21 0.37 0.58 -1.08 0.00 0.00 178.44 178.44 1nei h VAL 43 N -0.44 1.08 -0.80 1.22 2.07 0.11 0.29 116.25 119.77 1nei h VAL 43 Ca -0.01 -0.25 0.10 0.00 0.82 0.00 0.00 66.70 67.35 1nei h VAL 43 Cb 0.37 0.29 -0.06 0.00 -1.52 0.00 0.00 31.29 30.38 1nei h VAL 43 CO 0.02 0.13 0.52 0.78 0.02 0.00 0.00 177.57 179.05 1nei h ASN 44 N 0.72 0.67 -0.09 0.57 2.35 0.23 0.40 115.58 120.44 1nei h ASN 44 Ca 0.24 0.02 -0.17 0.00 -0.55 0.00 0.00 56.30 55.83 1nei h ASN 44 Cb 0.01 -0.12 0.01 0.00 0.05 0.00 0.00 38.32 38.27 1nei h ASN 44 CO -0.10 0.40 -0.62 0.74 -1.65 0.00 0.00 177.43 176.20 1nei h THR 45 N 0.74 1.35 -0.88 2.81 2.02 0.10 0.00 112.91 119.05 1nei h THR 45 Ca 0.37 -1.93 -0.00 0.00 0.77 0.00 0.00 66.41 65.61 1nei h THR 45 Cb 0.44 2.23 -0.04 0.00 -1.74 0.00 0.00 68.15 69.04 1nei h THR 45 CO -0.14 0.59 0.53 0.58 0.37 0.00 0.00 175.52 177.45 1nei h VAL 46 N 0.19 1.24 -0.01 3.16 2.07 0.74 -1.68 116.25 121.96 1nei h VAL 46 Ca -0.05 -0.53 -0.15 0.00 0.82 0.00 0.00 66.70 66.78 1nei h VAL 46 Cb 1.27 0.00 -0.02 0.00 -1.52 0.00 0.00 31.29 31.03 1nei h VAL 46 CO 0.13 0.25 -0.70 0.03 0.02 0.00 0.00 177.57 177.30 1nei h ARG 47 N 1.21 0.08 -0.58 1.57 3.08 -0.25 -2.99 114.38 116.49 1nei h ARG 47 Ca 0.32 -0.06 0.14 0.00 0.07 0.00 0.00 59.98 60.45 1nei h ARG 47 Cb -0.05 0.01 -0.03 0.00 0.08 0.00 0.00 29.97 29.98 1nei h ARG 47 CO -0.06 0.74 0.41 0.77 -1.07 0.00 0.00 179.97 180.76 1nei h SER 48 N 0.05 0.14 1.16 7.04 0.02 -0.02 0.54 113.55 122.48 1nei h SER 48 Ca -0.01 0.01 -0.05 0.00 -0.84 0.00 0.00 61.79 60.89 1nei h SER 48 Cb 1.24 -0.02 -0.01 0.00 0.14 0.00 0.00 62.40 63.75 1nei h SER 48 CO 0.10 0.08 -0.24 0.22 -1.14 0.00 0.00 176.83 175.85 1nei h TYR 49 N 0.15 0.00 -0.22 3.45 5.03 -1.35 -2.92 116.97 121.11 1nei h TYR 49 Ca 0.28 0.00 -0.05 0.00 2.58 0.00 0.00 58.73 61.54 1nei h TYR 49 Cb 0.89 0.00 -0.01 0.00 1.55 0.00 0.00 36.73 39.16 1nei h TYR 49 CO -0.00 0.24 -0.08 0.22 -1.32 0.00 0.00 178.16 177.22 1nei h ASP 50 N 0.00 0.33 -0.90 -2.11 3.58 -0.01 -3.43 116.42 113.87 1nei h ASP 50 Ca -0.00 -0.06 -0.48 0.00 0.42 0.00 0.00 57.03 56.90 1nei h ASP 50 Cb 0.88 -0.09 0.02 0.00 1.72 0.00 0.00 39.33 41.87 1nei h ASP 50 CO 0.03 0.45 -0.14 0.28 -2.88 0.00 0.00 179.24 176.97 1nei s THR 51 N -4.83 2.27 0.00 2.25 -1.32 -1.10 -5.10 115.64 107.82 1nei s THR 51 Ca -0.06 -1.04 0.00 0.00 -1.21 0.00 0.00 61.69 59.38 1nei s THR 51 Cb 0.15 -2.31 0.00 0.00 -1.51 0.00 0.00 72.50 68.83 1nei s THR 51 CO 0.74 0.00 0.00 -0.62 -2.21 0.00 0.00 174.62 172.53 1nei n GLU 52 N -2.13 0.00 -2.01 7.08 1.02 -1.26 -4.76 120.64 118.59 1nei n GLU 52 Ca 0.13 0.00 -0.39 0.00 -0.02 0.00 0.00 57.16 56.88 1nei n GLU 52 Cb 0.61 -0.16 0.00 0.00 -0.02 0.00 0.00 31.44 31.88 1nei n GLU 52 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 1nei s ASN 53 N -1.95 6.10 -0.68 1.62 4.22 -1.26 -4.87 114.94 118.12 1nei s ASN 53 Ca 0.00 2.66 -0.10 0.00 -2.14 0.00 0.00 52.86 53.28 1nei s ASN 53 Cb 0.00 -2.64 0.18 0.00 1.28 0.00 0.00 41.25 40.07 1nei s ASN 53 CO 0.00 -1.00 0.58 -1.83 -2.04 0.00 0.00 177.10 172.81 1nei s GLU 54 N -2.41 3.07 0.00 3.55 -1.05 -1.26 -4.66 118.70 115.94 1nei s GLU 54 Ca 0.60 -2.29 0.00 0.00 -0.15 0.00 0.00 54.97 53.13 1nei s GLU 54 Cb -0.38 -4.14 0.00 0.00 -0.44 0.00 0.00 34.13 29.17 1nei s GLU 54 CO 0.48 -1.25 0.00 1.58 0.95 0.00 0.00 175.26 177.02 1nei n HIS 55 N 4.13 -0.85 -4.43 4.83 -0.00 -1.26 -5.09 115.22 112.54 1nei n HIS 55 Ca 0.06 0.00 -0.24 0.00 0.46 0.00 0.00 57.72 58.00 1nei n HIS 55 Cb 0.43 0.17 -0.10 0.00 -0.12 0.00 0.00 29.99 30.36 1nei n HIS 55 CO 0.00 0.00 0.00 0.16 0.46 0.00 0.00 176.34 176.96 1nei s ASP 56 N 0.31 3.36 0.58 0.26 -4.77 -1.26 -5.10 116.67 110.04 1nei s ASP 56 Ca 0.00 -0.98 -0.19 0.00 -3.30 0.00 0.00 52.55 48.07 1nei s ASP 56 Cb 0.00 -0.26 -0.04 0.00 -1.09 0.00 0.00 42.92 41.53 1nei s ASP 56 CO 0.00 0.02 1.21 0.54 0.70 0.00 0.00 175.17 177.64 1nei s VAL 57 N -2.37 2.65 0.18 2.11 0.11 -1.26 -4.94 120.40 116.88 1nei s VAL 57 Ca 0.26 0.42 0.00 0.00 -2.93 0.00 0.00 61.98 59.73 1nei s VAL 57 Cb -0.05 -3.17 0.00 0.00 -1.53 0.00 0.00 36.38 31.63 1nei s VAL 57 CO 0.12 -0.08 0.00 0.00 -3.33 0.00 0.00 175.10 171.82 1nei n GLY 59 N 2.15 0.36 0.00 0.00 0.00 -1.26 -5.22 105.19 101.22 1nei n GLY 59 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1nei n GLY 59 CO 0.00 0.00 0.00 -2.67 0.00 0.00 0.00 173.32 170.65