#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 -0.35 3.92 -5.12 0.00 -1.26 -5.15 105.19 97.23 1nei n GLY 2 Ca 0.00 0.13 -0.20 0.00 0.00 0.00 0.00 46.02 45.95 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 2.63 -0.66 1.61 -0.14 -1.26 -5.07 119.74 114.85 1nei s LYS 3 Ca 0.00 -1.44 -0.10 0.00 -1.36 0.00 0.00 55.97 53.08 1nei s LYS 3 Cb 0.00 -2.50 0.17 0.00 -1.68 0.00 0.00 37.83 33.83 1nei s LYS 3 CO 0.00 -0.20 0.55 0.00 -0.76 0.00 0.00 175.35 174.94 1nei s ALA 4 N -2.43 3.74 0.17 5.17 0.00 -1.26 -5.03 121.76 122.13 1nei s ALA 4 Ca 0.50 -3.06 0.01 0.00 0.00 0.00 0.00 51.96 49.41 1nei s ALA 4 Cb -0.05 -3.09 -0.04 0.00 0.00 0.00 0.00 23.12 19.93 1nei s ALA 4 CO 0.29 -2.12 0.02 0.95 0.00 0.00 0.00 175.76 174.91 1nei s THR 5 N 0.50 0.52 0.01 0.00 -4.23 -1.26 -4.74 115.64 106.44 1nei s THR 5 Ca 0.13 -1.96 0.01 0.00 -1.18 0.00 0.00 61.69 58.70 1nei s THR 5 Cb -0.19 -2.14 -0.01 0.00 1.34 0.00 0.00 72.50 71.51 1nei s THR 5 CO -0.04 -0.44 -0.05 -0.31 -0.54 0.00 0.00 174.62 173.24 1nei s TYR 6 N -3.77 0.43 -0.27 3.99 1.51 -1.12 -5.00 117.35 113.12 1nei s TYR 6 Ca 0.25 -0.25 0.03 0.00 -1.01 0.00 0.00 57.07 56.08 1nei s TYR 6 Cb 0.07 -0.27 0.06 0.00 -0.11 0.00 0.00 41.96 41.71 1nei s TYR 6 CO 0.04 -0.05 -0.08 0.99 -1.11 0.00 0.00 175.55 175.34 1nei s THR 7 N -0.65 2.27 -0.21 -0.71 2.01 -1.26 -1.88 115.64 115.21 1nei s THR 7 Ca -0.04 -1.71 -0.10 0.00 0.31 0.00 0.00 61.69 60.15 1nei s THR 7 Cb -0.05 -2.38 -0.05 0.00 0.01 0.00 0.00 72.50 70.03 1nei s THR 7 CO -0.00 -0.11 0.12 -0.69 -0.69 0.00 0.00 174.62 173.25 1nei s VAL 8 N 1.09 5.28 -0.09 3.82 1.01 0.97 -4.91 120.40 127.58 1nei s VAL 8 Ca -0.06 0.15 0.03 0.00 0.00 0.00 0.00 61.98 62.10 1nei s VAL 8 Cb -0.20 -3.42 0.01 0.00 0.00 0.00 0.00 36.38 32.77 1nei s VAL 8 CO -0.05 0.42 -0.18 -0.89 0.00 0.00 0.00 175.10 174.40 1nei s THR 9 N 0.53 1.62 -0.10 3.92 2.01 -1.26 0.18 115.64 122.55 1nei s THR 9 Ca 0.07 -0.76 0.02 0.00 0.31 0.00 0.00 61.69 61.34 1nei s THR 9 Cb -0.12 -1.44 0.01 0.00 0.01 0.00 0.00 72.50 70.97 1nei s THR 9 CO -0.00 0.46 -0.17 -0.69 -0.69 0.00 0.00 174.62 173.53 1nei s VAL 10 N 0.57 1.60 -0.02 3.82 1.01 0.68 -4.96 120.40 123.11 1nei s VAL 10 Ca -0.15 -0.72 0.04 0.00 0.00 0.00 0.00 61.98 61.14 1nei s VAL 10 Cb -0.17 -1.44 -0.00 0.00 0.00 0.00 0.00 36.38 34.77 1nei s VAL 10 CO 0.05 0.46 -0.12 -0.89 0.00 0.00 0.00 175.10 174.60 1nei s THR 11 N 0.82 1.03 -0.57 3.92 2.01 -1.26 -0.89 115.64 120.70 1nei s THR 11 Ca -0.10 -0.52 -0.15 0.00 0.31 0.00 0.00 61.69 61.23 1nei s THR 11 Cb -0.16 -0.88 0.14 0.00 0.01 0.00 0.00 72.50 71.61 1nei s THR 11 CO 0.01 0.30 0.52 0.54 -0.69 0.00 0.00 174.62 175.30 1nei s ASN 12 N -0.05 6.22 0.41 3.53 2.20 0.71 -4.88 114.94 123.08 1nei s ASN 12 Ca 0.00 -1.89 0.23 0.00 -0.94 0.00 0.00 52.86 50.26 1nei s ASN 12 Cb -0.08 -2.20 1.26 0.00 -2.00 0.00 0.00 41.25 38.23 1nei s ASN 12 CO 0.00 -0.82 1.68 0.78 -2.94 0.00 0.00 177.10 175.80 1nei h ASN 13 N 8.75 0.00 0.44 3.54 2.35 -1.93 3.31 115.58 132.05 1nei h ASN 13 Ca -0.25 0.00 -0.23 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 -0.98 -1.28 -1.65 0.00 0.00 177.43 174.52 1nei h SER 14 N 0.00 0.45 -0.01 5.81 0.87 -1.95 -3.28 113.55 115.45 1nei h SER 14 Ca 0.00 -0.39 0.00 0.00 -1.23 0.00 0.00 61.79 60.17 1nei h SER 14 Cb 0.26 -0.14 0.00 0.00 -0.44 0.00 0.00 62.40 62.08 1nei h SER 14 CO 0.00 1.20 -0.19 -3.20 -0.53 0.00 0.00 176.83 174.11 1nei n ASN 15 N -3.69 1.25 -0.72 6.23 2.85 0.15 -4.96 115.26 116.37 1nei n ASN 15 Ca -0.06 -1.12 -0.09 0.00 -0.11 0.00 0.00 54.58 53.19 1nei n ASN 15 Cb 0.86 0.43 -0.04 0.00 1.24 0.00 0.00 39.78 42.28 1nei n ASN 15 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 1nei n GLY 16 N 0.86 0.90 3.70 8.20 0.00 1.05 -4.93 105.19 114.98 1nei n GLY 16 Ca 0.04 -0.01 -0.39 0.00 0.00 0.00 0.00 46.02 45.66 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 -1.82 5.12 0.08 1.61 1.01 -1.10 -4.88 120.40 120.43 1nei s VAL 17 Ca 0.00 1.06 0.07 0.00 0.00 0.00 0.00 61.98 63.12 1nei s VAL 17 Cb 0.00 -3.88 -0.04 0.00 0.00 0.00 0.00 36.38 32.47 1nei s VAL 17 CO 0.00 0.25 -0.14 -0.94 0.00 0.00 0.00 175.10 174.26 1nei s SER 18 N 0.86 4.10 0.04 3.32 1.04 -1.26 -0.21 113.70 121.59 1nei s SER 18 Ca 0.28 -0.42 -0.10 0.00 0.48 0.00 0.00 55.95 56.18 1nei s SER 18 Cb -0.16 -0.71 0.01 0.00 0.10 0.00 0.00 66.02 65.26 1nei s SER 18 CO 0.11 0.21 0.22 -0.69 0.98 0.00 0.00 173.24 174.08 1nei s VAL 19 N -1.09 0.10 0.04 5.02 1.01 -0.07 -4.97 120.40 120.44 1nei s VAL 19 Ca 0.18 -0.84 0.03 0.00 0.00 0.00 0.00 61.98 61.34 1nei s VAL 19 Cb -0.11 -0.92 -0.02 0.00 0.00 0.00 0.00 36.38 35.33 1nei s VAL 19 CO 0.10 -0.46 -0.09 -1.81 0.00 0.00 0.00 175.10 172.83 1nei s ASP 20 N -2.09 0.99 -0.03 3.32 1.11 -1.26 -0.23 116.67 118.48 1nei s ASP 20 Ca -0.05 -0.46 -0.00 0.00 0.18 0.00 0.00 52.55 52.22 1nei s ASP 20 Cb -0.01 -0.01 0.03 0.00 1.07 0.00 0.00 42.92 44.00 1nei s ASP 20 CO -0.04 -0.11 0.02 -0.31 1.18 0.00 0.00 175.17 175.91 1nei s TYR 21 N -1.06 0.22 -0.35 4.23 1.51 0.49 -4.96 117.35 117.43 1nei s TYR 21 Ca -0.06 0.08 -0.10 0.00 -1.01 0.00 0.00 57.07 55.99 1nei s TYR 21 Cb -0.08 -0.43 0.02 0.00 -0.11 0.00 0.00 41.96 41.36 1nei s TYR 21 CO 0.01 -0.16 0.17 -2.00 -1.11 0.00 0.00 175.55 172.46 1nei s GLU 22 N 1.42 2.95 -0.00 -0.62 2.12 -1.26 -0.02 118.70 123.29 1nei s GLU 22 Ca -0.04 -0.98 0.01 0.00 0.36 0.00 0.00 54.97 54.31 1nei s GLU 22 Cb -0.13 -3.62 -0.00 0.00 0.26 0.00 0.00 34.13 30.64 1nei s GLU 22 CO -0.03 -0.60 -0.02 -0.08 -0.54 0.00 0.00 175.26 173.99 1nei s THR 23 N 1.54 0.18 -0.80 -1.70 -1.32 -0.79 -5.01 115.64 107.74 1nei s THR 23 Ca 0.02 -0.09 -0.19 0.00 -1.21 0.00 0.00 61.69 60.22 1nei s THR 23 Cb -0.18 -0.16 0.12 0.00 -1.51 0.00 0.00 72.50 70.77 1nei s THR 23 CO 0.06 0.05 0.99 -1.61 -2.21 0.00 0.00 174.62 171.90 1nei s GLU 24 N -0.04 3.39 -0.19 7.08 2.02 -1.26 -2.81 118.70 126.89 1nei s GLU 24 Ca 0.01 -1.51 -0.02 0.00 0.02 0.00 0.00 54.97 53.46 1nei s GLU 24 Cb -0.01 -4.61 0.06 0.00 0.10 0.00 0.00 34.13 29.67 1nei s GLU 24 CO -0.00 -1.71 0.02 0.95 0.02 0.00 0.00 175.26 174.54 1nei s THR 25 N 2.85 0.63 0.00 3.63 -4.23 -1.26 -5.02 115.64 112.24 1nei s THR 25 Ca 0.26 -0.59 0.00 0.00 -1.18 0.00 0.00 61.69 60.18 1nei s THR 25 Cb -0.11 -1.09 0.00 0.00 1.34 0.00 0.00 72.50 72.64 1nei s THR 25 CO -0.02 -0.16 0.04 -0.81 -0.54 0.00 0.00 174.62 173.13 1nei n PRO 26 N 5.01 0.00 0.15 3.99 -0.04 -1.26 -4.08 135.00 138.77 1nei n PRO 26 Ca -0.09 0.00 0.01 0.00 -0.04 0.00 0.00 63.50 63.38 1nei n PRO 26 Cb 0.47 -0.30 0.19 0.00 -0.04 0.00 0.00 33.50 33.82 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 -0.37 0.54 2.86 -2.02 -3.03 114.93 112.91 1nei h MET 27 Ca 0.00 0.00 0.11 0.00 -2.06 0.00 0.00 59.70 57.75 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 0.55 0.51 1.79 1.06 0.00 0.00 176.91 180.82 1nei h THR 28 N 0.00 0.24 -0.65 2.22 1.35 -1.93 0.68 112.91 114.82 1nei h THR 28 Ca -0.01 0.00 -0.02 0.00 -0.55 0.00 0.00 66.41 65.83 1nei h THR 28 Cb 1.12 0.57 -0.03 0.00 -1.73 0.00 0.00 68.15 68.08 1nei h THR 28 CO 0.07 0.00 0.31 -0.07 -0.25 0.00 0.00 175.52 175.58 1nei h LEU 29 N 0.00 0.83 0.00 3.87 3.38 -1.68 -1.14 115.31 120.57 1nei h LEU 29 Ca 0.17 -0.09 -0.08 0.00 0.09 0.00 0.00 57.88 57.98 1nei h LEU 29 Cb 1.20 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 41.72 1nei h LEU 29 CO -0.00 0.70 -0.47 -0.07 0.09 0.00 0.00 178.44 178.69 1nei h LEU 30 N 0.91 0.00 -9.74 1.67 3.38 0.13 -3.43 115.31 108.23 1nei h LEU 30 Ca 0.23 0.00 -0.53 0.00 0.09 0.00 0.00 57.88 57.67 1nei h LEU 30 Cb 0.10 0.00 0.07 0.00 0.09 0.00 0.00 40.66 40.91 1nei h LEU 30 CO -0.03 0.34 0.88 -0.69 0.09 0.00 0.00 178.44 179.03 1nei s VAL 31 N -3.05 2.27 0.02 1.22 1.01 -0.43 -4.92 120.40 116.52 1nei s VAL 31 Ca 0.04 0.22 -0.19 0.00 0.00 0.00 0.00 61.98 62.05 1nei s VAL 31 Cb 0.07 -3.14 -0.22 0.00 0.00 0.00 0.00 36.38 33.09 1nei s VAL 31 CO 0.73 0.03 1.14 1.55 0.00 0.00 0.00 175.10 178.55 1nei h PRO 32 N 5.44 0.44 -0.57 2.72 0.13 -1.88 0.12 132.00 138.39 1nei h PRO 32 Ca -0.46 -0.43 0.03 0.00 -0.87 0.00 0.00 66.00 64.27 1nei h PRO 32 Cb 1.21 0.11 -0.03 0.00 0.13 0.00 0.00 31.00 32.42 1nei h PRO 32 CO 0.83 1.08 0.38 0.93 -0.23 0.00 0.00 178.00 180.99 1nei h GLU 33 N -0.05 0.67 0.14 0.86 5.08 -1.92 2.11 114.58 121.47 1nei h GLU 33 Ca -0.06 -0.04 -0.19 0.00 -1.00 0.00 0.00 59.36 58.07 1nei h GLU 33 Cb 1.25 -0.15 0.02 0.00 0.50 0.00 0.00 28.75 30.37 1nei h GLU 33 CO 0.11 0.44 -0.83 0.28 -1.00 0.00 0.00 179.01 178.01 1nei h VAL 34 N 0.69 1.50 -0.57 3.13 2.07 -1.79 -2.17 116.25 119.11 1nei h VAL 34 Ca 0.23 -2.54 -0.06 0.00 0.82 0.00 0.00 66.70 65.15 1nei h VAL 34 Cb 0.05 3.20 -0.02 0.00 -1.52 0.00 0.00 31.29 32.99 1nei h VAL 34 CO -0.06 0.72 0.12 0.00 0.02 0.00 0.00 177.57 178.37 1nei h ALA 35 N 0.08 0.76 -0.05 1.67 0.00 -0.22 0.42 119.26 121.90 1nei h ALA 35 Ca -0.15 -0.24 -0.00 0.00 0.00 0.00 0.00 54.91 54.53 1nei h ALA 35 Cb 1.65 -0.22 -0.00 0.00 0.00 0.00 0.00 17.79 19.22 1nei h ALA 35 CO 0.15 0.48 0.03 0.00 0.00 0.00 0.00 179.25 179.91 1nei h ALA 36 N 1.02 0.06 -0.33 0.00 0.00 0.33 0.77 119.26 121.11 1nei h ALA 36 Ca 0.18 -0.05 -0.05 0.00 0.00 0.00 0.00 54.91 54.98 1nei h ALA 36 Cb 0.38 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.13 1nei h ALA 36 CO 0.01 -0.39 -0.03 0.93 0.00 0.00 0.00 179.25 179.76 1nei h GLU 37 N -0.02 0.52 0.18 0.00 5.08 -1.18 0.31 114.58 119.47 1nei h GLU 37 Ca 0.02 -0.12 -0.01 0.00 -1.00 0.00 0.00 59.36 58.25 1nei h GLU 37 Cb 0.09 -0.07 0.00 0.00 0.50 0.00 0.00 28.75 29.27 1nei h GLU 37 CO -0.00 0.57 -0.09 0.28 -1.00 0.00 0.00 179.01 178.77 1nei h VAL 38 N 0.49 0.91 -0.34 3.13 2.07 0.33 1.23 116.25 124.06 1nei h VAL 38 Ca 0.10 -0.93 0.04 0.00 0.82 0.00 0.00 66.70 66.73 1nei h VAL 38 Cb 0.37 1.42 -0.04 0.00 -1.52 0.00 0.00 31.29 31.52 1nei h VAL 38 CO 0.01 0.20 0.13 0.40 0.02 0.00 0.00 177.57 178.33 1nei h ILE 39 N -0.74 0.92 -0.29 4.57 1.08 0.70 0.90 117.51 124.65 1nei h ILE 39 Ca -0.02 -0.10 -0.06 0.00 -0.39 0.00 0.00 64.86 64.29 1nei h ILE 39 Cb 0.51 0.61 -0.01 0.00 -3.07 0.00 0.00 36.82 34.86 1nei h ILE 39 CO 0.04 0.05 -0.03 0.50 -0.69 0.00 0.00 178.15 178.02 1nei h LYS 40 N 0.28 0.54 -0.57 2.37 3.11 -0.41 -0.97 116.57 120.92 1nei h LYS 40 Ca 0.15 -0.19 0.04 0.00 -2.81 0.00 0.00 60.65 57.85 1nei h LYS 40 Cb 0.11 -0.04 -0.05 0.00 -1.00 0.00 0.00 32.23 31.26 1nei h LYS 40 CO -0.15 0.71 0.32 0.22 -2.81 0.00 0.00 179.45 177.74 1nei h ASP 41 N 0.31 0.48 0.10 4.20 3.58 0.21 2.26 116.42 127.57 1nei h ASP 41 Ca 0.08 0.02 -0.00 0.00 0.42 0.00 0.00 57.03 57.55 1nei h ASP 41 Cb 0.49 -0.07 -0.00 0.00 1.72 0.00 0.00 39.33 41.46 1nei h ASP 41 CO 0.02 0.33 -0.07 -0.07 -2.88 0.00 0.00 179.24 176.57 1nei h LEU 42 N 0.61 -0.19 -0.10 2.28 4.07 0.99 1.11 115.31 124.09 1nei h LEU 42 Ca 0.25 0.02 -0.01 0.00 0.08 0.00 0.00 57.88 58.21 1nei h LEU 42 Cb 0.11 0.06 -0.00 0.00 1.08 0.00 0.00 40.66 41.91 1nei h LEU 42 CO -0.15 -0.12 0.02 0.58 -1.08 0.00 0.00 178.44 177.70 1nei h VAL 43 N -0.18 1.20 -0.77 1.22 2.07 -0.55 0.62 116.25 119.87 1nei h VAL 43 Ca -0.00 -0.62 0.07 0.00 0.82 0.00 0.00 66.70 66.96 1nei h VAL 43 Cb 0.16 1.42 -0.05 0.00 -1.52 0.00 0.00 31.29 31.30 1nei h VAL 43 CO -0.00 0.18 0.50 0.78 0.02 0.00 0.00 177.57 179.05 1nei h ASN 44 N -0.05 0.70 -0.07 0.57 2.35 0.40 0.45 115.58 119.93 1nei h ASN 44 Ca 0.03 0.01 -0.12 0.00 -0.55 0.00 0.00 56.30 55.66 1nei h ASN 44 Cb 0.26 -0.14 0.01 0.00 0.05 0.00 0.00 38.32 38.49 1nei h ASN 44 CO 0.00 0.45 -0.44 0.74 -1.65 0.00 0.00 177.43 176.53 1nei h THR 45 N 0.80 1.40 -0.93 2.81 2.02 0.17 0.78 112.91 119.96 1nei h THR 45 Ca 0.33 -1.82 0.01 0.00 0.77 0.00 0.00 66.41 65.70 1nei h THR 45 Cb 0.28 2.31 -0.05 0.00 -1.74 0.00 0.00 68.15 68.96 1nei h THR 45 CO -0.12 0.54 0.61 0.58 0.37 0.00 0.00 175.52 177.49 1nei h VAL 46 N -0.03 1.24 -0.02 3.16 2.07 0.11 -1.57 116.25 121.21 1nei h VAL 46 Ca -0.03 -0.47 -0.16 0.00 0.82 0.00 0.00 66.70 66.86 1nei h VAL 46 Cb 1.10 -0.12 -0.01 0.00 -1.52 0.00 0.00 31.29 30.73 1nei h VAL 46 CO 0.09 0.24 -0.72 0.03 0.02 0.00 0.00 177.57 177.23 1nei h ARG 47 N 1.27 0.15 -0.96 1.57 3.08 -0.13 -3.10 114.38 116.26 1nei h ARG 47 Ca 0.34 -0.13 0.12 0.00 0.07 0.00 0.00 59.98 60.38 1nei h ARG 47 Cb -0.12 0.03 -0.08 0.00 0.08 0.00 0.00 29.97 29.88 1nei h ARG 47 CO -0.07 0.81 0.61 0.66 -1.07 0.00 0.00 179.97 180.91 1nei h SER 48 N 0.10 0.86 -0.05 7.04 4.64 0.17 0.27 113.55 126.59 1nei h SER 48 Ca -0.02 0.04 0.01 0.00 -0.47 0.00 0.00 61.79 61.35 1nei h SER 48 Cb 1.28 -0.13 -0.00 0.00 -0.31 0.00 0.00 62.40 63.23 1nei h SER 48 CO 0.11 0.47 0.04 0.22 -0.87 0.00 0.00 176.83 176.80 1nei h TYR 49 N 0.93 0.00 0.02 4.77 5.03 -1.39 0.41 116.97 126.74 1nei h TYR 49 Ca 0.47 0.00 -0.21 0.00 2.58 0.00 0.00 58.73 61.57 1nei h TYR 49 Cb 0.50 0.00 -0.02 0.00 1.55 0.00 0.00 36.73 38.76 1nei h TYR 49 CO -0.00 0.00 -0.99 -0.44 -1.32 0.00 0.00 178.16 175.41 1nei h ASP 50 N 0.00 0.10 -3.42 -2.11 3.32 -0.60 -3.44 116.42 110.26 1nei h ASP 50 Ca 0.02 -0.10 -0.54 0.00 0.02 0.00 0.00 57.03 56.43 1nei h ASP 50 Cb 0.10 -0.03 -0.04 0.00 0.22 0.00 0.00 39.33 39.58 1nei h ASP 50 CO -0.00 1.02 0.09 0.42 -1.72 0.00 0.00 179.24 179.05 1nei s THR 51 N -2.85 4.54 0.09 0.35 -4.23 0.13 -4.99 115.64 108.68 1nei s THR 51 Ca -0.00 1.46 -0.34 0.00 -1.18 0.00 0.00 61.69 61.62 1nei s THR 51 Cb 0.10 -4.01 -0.15 0.00 1.34 0.00 0.00 72.50 69.78 1nei s THR 51 CO 0.83 0.49 1.58 -0.33 -0.54 0.00 0.00 174.62 176.64 1nei h GLU 52 N 4.27 -0.85 -5.67 3.99 5.08 -1.87 -3.41 114.58 116.12 1nei h GLU 52 Ca -0.48 0.06 -0.66 0.00 -1.00 0.00 0.00 59.36 57.27 1nei h GLU 52 Cb 1.21 0.19 -0.22 0.00 0.50 0.00 0.00 28.75 30.43 1nei h GLU 52 CO 0.65 -0.57 -0.71 -0.80 -1.00 0.00 0.00 179.01 176.59 1nei s ASN 53 N -4.50 4.51 -0.90 1.42 -0.87 -1.26 -5.04 114.94 108.30 1nei s ASN 53 Ca -0.17 -0.14 0.00 0.00 -1.57 0.00 0.00 52.86 50.98 1nei s ASN 53 Cb 0.05 -1.46 0.30 0.00 -0.02 0.00 0.00 41.25 40.13 1nei s ASN 53 CO 0.62 0.25 1.35 -1.84 -2.57 0.00 0.00 177.10 174.90 1nei n GLU 54 N 2.98 4.16 0.19 -0.60 0.28 -1.26 -4.55 120.64 121.84 1nei n GLU 54 Ca -0.18 -4.66 0.00 0.00 -0.16 0.00 0.00 57.16 52.16 1nei n GLU 54 Cb 0.53 -2.41 0.00 0.00 1.43 0.00 0.00 31.44 30.99 1nei n GLU 54 CO 0.00 0.00 0.00 1.58 -0.16 0.00 0.00 177.13 178.55 1nei n HIS 55 N 0.60 -4.33 -3.22 -1.84 -0.00 -1.26 -5.12 115.22 100.05 1nei n HIS 55 Ca 0.33 1.33 -0.38 0.00 0.46 0.00 0.00 57.72 59.47 1nei n HIS 55 Cb 0.34 3.39 -0.06 0.00 -0.12 0.00 0.00 29.99 33.54 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 -1.81 7.07 0.02 0.26 1.47 -1.26 -5.06 116.67 117.35 1nei s ASP 56 Ca 0.00 1.31 -0.11 0.00 1.18 0.00 0.00 52.55 54.93 1nei s ASP 56 Cb 0.00 -2.37 -0.05 0.00 -0.34 0.00 0.00 42.92 40.15 1nei s ASP 56 CO 0.00 0.20 0.36 0.54 0.68 0.00 0.00 175.17 176.95 1nei s VAL 57 N -1.23 5.15 0.00 2.11 0.11 -1.26 -4.91 120.40 120.37 1nei s VAL 57 Ca 0.33 0.51 0.00 0.00 -2.93 0.00 0.00 61.98 59.89 1nei s VAL 57 Cb -0.19 -3.63 0.00 0.00 -1.53 0.00 0.00 36.38 31.03 1nei s VAL 57 CO 0.20 0.43 0.00 0.00 -3.33 0.00 0.00 175.10 172.40 1nei n GLY 59 N 2.67 6.25 3.96 0.00 0.00 -1.26 -5.33 105.19 111.48 1nei n GLY 59 Ca 0.00 -1.70 0.00 0.00 0.00 0.00 0.00 46.02 44.32 1nei n GLY 59 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11