#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3a1y h GLU 2 N 0.00 0.00 -0.24 0.03 9.09 -2.05 -1.64 114.58 119.78 3a1y h GLU 2 Ca 0.00 0.00 -0.19 0.00 0.05 0.00 0.00 59.36 59.22 3a1y h GLU 2 Cb 0.00 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.10 3a1y h GLU 2 CO 0.00 0.08 -0.59 1.88 0.05 0.00 0.00 179.01 180.42 3a1y h TYR 3 N 0.00 1.06 -0.06 2.06 0.05 -1.99 0.49 116.97 118.57 3a1y h TYR 3 Ca -0.00 -0.40 -0.20 0.00 0.05 0.00 0.00 58.73 58.17 3a1y h TYR 3 Cb 0.14 -0.19 0.01 0.00 1.01 0.00 0.00 36.73 37.71 3a1y h TYR 3 CO 0.00 1.23 -0.76 0.28 -1.05 0.00 0.00 178.16 177.86 3a1y h VAL 4 N 0.59 1.33 -0.52 -2.88 2.07 -1.83 -1.81 116.25 113.20 3a1y h VAL 4 Ca -0.01 -2.04 -0.08 0.00 0.82 0.00 0.00 66.70 65.39 3a1y h VAL 4 Cb 1.21 2.29 -0.02 0.00 -1.52 0.00 0.00 31.29 33.24 3a1y h VAL 4 CO 0.13 0.62 0.01 1.88 0.02 0.00 0.00 177.57 180.24 3a1y h TYR 5 N 0.26 0.93 -0.89 1.57 0.05 -1.32 -0.91 116.97 116.65 3a1y h TYR 5 Ca -0.08 -0.13 0.01 0.00 0.05 0.00 0.00 58.73 58.58 3a1y h TYR 5 Cb 1.42 -0.25 -0.05 0.00 1.01 0.00 0.00 36.73 38.86 3a1y h TYR 5 CO 0.11 0.84 0.59 0.00 -1.05 0.00 0.00 178.16 178.65 3a1y h ALA 6 N 1.20 1.14 -0.28 3.88 0.00 -0.83 -0.13 119.26 124.24 3a1y h ALA 6 Ca 0.16 -0.06 -0.05 0.00 0.00 0.00 0.00 54.91 54.96 3a1y h ALA 6 Cb 0.46 -0.35 -0.01 0.00 0.00 0.00 0.00 17.79 17.89 3a1y h ALA 6 CO 0.02 0.52 -0.01 0.00 0.00 0.00 0.00 179.25 179.78 3a1y h ALA 7 N 1.33 0.38 -0.65 0.00 0.00 -0.94 -1.62 119.26 117.76 3a1y h ALA 7 Ca 0.33 -0.24 -0.07 0.00 0.00 0.00 0.00 54.91 54.94 3a1y h ALA 7 Cb -0.11 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 17.55 3a1y h ALA 7 CO -0.08 0.13 0.13 -0.07 0.00 0.00 0.00 179.25 179.36 3a1y h LEU 8 N 0.29 1.02 0.33 0.00 4.07 -1.06 -0.06 115.31 119.89 3a1y h LEU 8 Ca 0.08 -0.25 0.00 0.00 0.08 0.00 0.00 57.88 57.79 3a1y h LEU 8 Cb 0.44 -0.27 -0.03 0.00 1.08 0.00 0.00 40.66 41.89 3a1y h LEU 8 CO 0.02 1.00 -0.39 0.25 -1.08 0.00 0.00 178.44 178.24 3a1y h LEU 9 N 0.99 -1.07 -0.53 1.67 5.85 -0.92 0.05 115.31 121.35 3a1y h LEU 9 Ca 0.20 0.10 0.09 0.00 0.84 0.00 0.00 57.88 59.11 3a1y h LEU 9 Cb 0.41 0.37 -0.07 0.00 0.37 0.00 0.00 40.66 41.73 3a1y h LEU 9 CO 0.01 -0.52 0.12 -0.07 -0.34 0.00 0.00 178.44 177.64 3a1y h LEU 10 N -0.75 0.02 -0.88 2.25 -0.00 -1.13 -1.88 115.31 112.94 3a1y h LEU 10 Ca -0.02 0.09 -0.01 0.00 -0.00 0.00 0.00 57.88 57.95 3a1y h LEU 10 Cb 0.70 0.12 -0.04 0.00 -0.00 0.00 0.00 40.66 41.44 3a1y h LEU 10 CO -0.10 0.03 0.52 -0.74 -0.00 0.00 0.00 178.44 178.15 3a1y h HIS 11 N 0.26 1.17 0.00 1.13 2.76 -0.89 0.11 115.15 119.69 3a1y h HIS 11 Ca 0.27 -0.01 -0.02 0.00 -2.20 0.00 0.00 60.37 58.41 3a1y h HIS 11 Cb 0.36 -0.38 -0.00 0.00 1.55 0.00 0.00 27.41 28.94 3a1y h HIS 11 CO -0.23 0.79 -0.09 0.66 -1.30 0.00 0.00 177.93 177.76 3a1y h SER 12 N 1.21 0.00 -0.39 3.26 4.64 -0.18 -2.64 113.55 119.45 3a1y h SER 12 Ca 0.31 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.63 3a1y h SER 12 Cb -0.03 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.06 3a1y h SER 12 CO -0.06 0.09 0.00 1.33 -0.87 0.00 0.00 176.83 177.33 3a1y n VAL 13 N -3.29 1.95 -1.38 0.95 0.24 -0.94 -4.95 118.33 110.91 3a1y n VAL 13 Ca -0.00 -1.49 -0.06 0.00 -2.04 0.00 0.00 64.34 60.74 3a1y n VAL 13 Cb 0.31 -0.00 -0.02 0.00 -1.47 0.00 0.00 33.84 32.66 3a1y n VAL 13 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3a1y n GLY 14 N 0.17 0.71 3.86 7.63 0.00 -0.98 -5.02 105.19 111.56 3a1y n GLY 14 Ca 0.21 -0.74 -0.34 0.00 0.00 0.00 0.00 46.02 45.14 3a1y n GLY 14 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3a1y s LYS 15 N -2.90 3.34 0.21 1.61 -0.14 0.34 -5.02 119.74 117.18 3a1y s LYS 15 Ca 0.00 -0.32 -0.30 0.00 -1.36 0.00 0.00 55.97 53.99 3a1y s LYS 15 Cb 0.00 -3.05 -0.09 0.00 -1.68 0.00 0.00 37.83 33.00 3a1y s LYS 15 CO 0.00 0.70 1.37 -2.00 -0.76 0.00 0.00 175.35 174.65 3a1y s GLU 16 N -1.64 4.34 -1.07 1.68 2.12 -1.26 -3.87 118.70 119.00 3a1y s GLU 16 Ca 0.23 2.15 -0.21 0.00 0.36 0.00 0.00 54.97 57.50 3a1y s GLU 16 Cb -0.12 -3.17 0.07 0.00 0.26 0.00 0.00 34.13 31.17 3a1y s GLU 16 CO 0.13 -0.34 1.47 0.42 -0.54 0.00 0.00 175.26 176.41 3a1y s ILE 17 N 0.19 4.11 0.40 -3.70 1.01 -1.26 -4.72 121.20 117.24 3a1y s ILE 17 Ca 0.59 -1.19 0.04 0.00 0.00 0.00 0.00 60.65 60.09 3a1y s ILE 17 Cb -0.39 -5.05 -0.04 0.00 0.01 0.00 0.00 42.46 37.00 3a1y s ILE 17 CO 0.39 -1.89 0.07 0.54 0.00 0.00 0.00 174.94 174.05 3a1y s ASN 18 N 4.56 3.02 0.11 3.58 6.03 -1.26 -4.88 114.94 126.10 3a1y s ASN 18 Ca 0.46 -1.55 -0.21 0.00 -1.03 0.00 0.00 52.86 50.53 3a1y s ASN 18 Cb 0.00 0.24 -0.10 0.00 -3.03 0.00 0.00 41.25 38.35 3a1y s ASN 18 CO -0.06 -0.77 1.75 -0.33 -2.03 0.00 0.00 177.10 175.66 3a1y h GLU 19 N 1.80 0.10 -0.49 3.55 5.08 -1.92 -1.61 114.58 121.10 3a1y h GLU 19 Ca -0.40 -0.01 0.08 0.00 -1.00 0.00 0.00 59.36 58.04 3a1y h GLU 19 Cb 1.27 -0.02 -0.07 0.00 0.50 0.00 0.00 28.75 30.43 3a1y h GLU 19 CO 0.67 0.07 0.08 1.49 -1.00 0.00 0.00 179.01 180.32 3a1y h GLU 20 N 0.11 0.21 -0.16 2.33 4.81 -1.97 0.23 114.58 120.14 3a1y h GLU 20 Ca 0.04 -0.01 -0.19 0.00 -0.13 0.00 0.00 59.36 59.07 3a1y h GLU 20 Cb 0.00 -0.05 0.01 0.00 0.63 0.00 0.00 28.75 29.35 3a1y h GLU 20 CO -0.03 0.14 -0.65 -0.91 -0.73 0.00 0.00 179.01 176.83 3a1y h ASN 21 N 0.21 0.84 -0.31 1.04 -0.26 -1.82 -2.07 115.58 113.21 3a1y h ASN 21 Ca 0.24 -0.62 -0.01 0.00 -0.56 0.00 0.00 56.30 55.36 3a1y h ASN 21 Cb 0.33 -0.25 -0.01 0.00 -1.06 0.00 0.00 38.32 37.33 3a1y h ASN 21 CO -0.33 1.32 0.16 -0.07 -1.06 0.00 0.00 177.43 177.44 3a1y h LEU 22 N 0.42 0.40 -0.35 1.61 3.38 -1.06 -2.35 115.31 117.35 3a1y h LEU 22 Ca -0.04 -0.11 0.03 0.00 0.09 0.00 0.00 57.88 57.85 3a1y h LEU 22 Cb 1.28 -0.10 -0.03 0.00 0.09 0.00 0.00 40.66 41.89 3a1y h LEU 22 CO 0.14 0.40 0.15 0.11 0.09 0.00 0.00 178.44 179.33 3a1y h LYS 23 N 0.37 0.32 -0.45 1.13 1.57 -0.91 -1.59 116.57 117.00 3a1y h LYS 23 Ca 0.11 -0.02 0.02 0.00 -1.87 0.00 0.00 60.65 58.88 3a1y h LYS 23 Cb 0.10 -0.07 -0.03 0.00 0.08 0.00 0.00 32.23 32.31 3a1y h LYS 23 CO -0.01 0.21 0.28 0.00 -0.57 0.00 0.00 179.45 179.35 3a1y h ALA 24 N 1.20 0.58 -0.30 3.86 0.00 -1.23 0.41 119.26 123.78 3a1y h ALA 24 Ca 0.15 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 55.04 3a1y h ALA 24 Cb 0.09 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.73 3a1y h ALA 24 CO -0.13 -0.03 0.14 0.28 0.00 0.00 0.00 179.25 179.51 3a1y h VAL 25 N 0.56 1.16 -0.24 0.00 2.07 -1.27 -2.27 116.25 116.26 3a1y h VAL 25 Ca 0.18 -0.47 -0.01 0.00 0.82 0.00 0.00 66.70 67.22 3a1y h VAL 25 Cb -0.01 0.92 -0.01 0.00 -1.52 0.00 0.00 31.29 30.67 3a1y h VAL 25 CO -0.07 0.17 0.11 -0.07 0.02 0.00 0.00 177.57 177.72 3a1y h LEU 26 N 0.35 0.32 -0.49 2.57 -0.00 -1.16 -2.78 115.31 114.11 3a1y h LEU 26 Ca 0.10 -0.14 0.10 0.00 -0.00 0.00 0.00 57.88 57.94 3a1y h LEU 26 Cb 0.14 -0.08 -0.09 0.00 -0.00 0.00 0.00 40.66 40.63 3a1y h LEU 26 CO -0.01 0.37 -0.06 1.56 -0.00 0.00 0.00 178.44 180.29 3a1y h GLN 27 N 0.24 0.05 0.00 1.13 4.20 -0.88 -0.60 115.11 119.25 3a1y h GLN 27 Ca 0.08 -0.00 -0.01 0.00 0.06 0.00 0.00 58.65 58.78 3a1y h GLN 27 Cb 0.14 -0.01 -0.00 0.00 0.30 0.00 0.00 27.48 27.91 3a1y h GLN 27 CO -0.01 0.03 -0.05 0.00 -0.67 0.00 0.00 178.83 178.13 3a1y h ALA 28 N 1.46 1.36 -0.15 3.87 0.00 -1.27 0.29 119.26 124.83 3a1y h ALA 28 Ca 0.24 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.11 3a1y h ALA 28 Cb 0.37 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.15 3a1y h ALA 28 CO -0.46 0.06 0.00 0.00 0.00 0.00 0.00 179.25 178.85 3a1y n ALA 29 N -2.28 2.53 -1.09 0.00 0.00 -0.31 -4.93 120.51 114.43 3a1y n ALA 29 Ca -0.02 -0.47 -0.03 0.00 0.00 0.00 0.00 53.44 52.91 3a1y n ALA 29 Cb 0.15 -1.11 -0.01 0.00 0.00 0.00 0.00 19.45 18.47 3a1y n ALA 29 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3a1y n GLY 30 N 1.09 0.63 3.70 0.00 0.00 0.10 -5.02 105.19 105.69 3a1y n GLY 30 Ca 0.16 -0.82 -0.40 0.00 0.00 0.00 0.00 46.02 44.95 3a1y n GLY 30 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3a1y s VAL 31 N -2.10 5.00 0.45 1.61 1.01 -0.72 -5.00 120.40 120.64 3a1y s VAL 31 Ca 0.00 1.47 -0.23 0.00 0.00 0.00 0.00 61.98 63.22 3a1y s VAL 31 Cb 0.00 -4.06 -0.08 0.00 0.00 0.00 0.00 36.38 32.25 3a1y s VAL 31 CO 0.00 0.17 1.15 -1.61 0.00 0.00 0.00 175.10 174.81 3a1y s GLU 32 N 1.33 3.81 0.10 2.72 0.41 -1.26 -4.15 118.70 121.66 3a1y s GLU 32 Ca 0.37 1.74 -0.31 0.00 -0.41 0.00 0.00 54.97 56.35 3a1y s GLU 32 Cb -0.17 -2.42 -0.07 0.00 -1.78 0.00 0.00 34.13 29.69 3a1y s GLU 32 CO 0.16 -0.50 1.31 -2.14 -0.49 0.00 0.00 175.26 173.60 3a1y s PRO 33 N -2.68 4.37 -0.44 0.39 0.02 -1.26 -4.99 135.00 130.41 3a1y s PRO 33 Ca 0.63 1.95 0.03 0.00 0.02 0.00 0.00 61.00 63.63 3a1y s PRO 33 Cb -0.28 -3.28 0.13 0.00 0.02 0.00 0.00 34.50 31.09 3a1y s PRO 33 CO 0.34 -0.35 0.22 -1.21 -0.33 0.00 0.00 177.00 175.66 3a1y s GLU 34 N 1.01 1.46 0.20 5.54 0.41 -1.26 -5.01 118.70 121.04 3a1y s GLU 34 Ca 0.62 -2.10 -0.10 0.00 -0.41 0.00 0.00 54.97 52.98 3a1y s GLU 34 Cb -0.34 -2.66 0.23 0.00 -1.78 0.00 0.00 34.13 29.58 3a1y s GLU 34 CO 0.30 -1.11 1.77 1.49 -0.49 0.00 0.00 175.26 177.22 3a1y h GLU 35 N 6.85 0.48 -0.90 1.61 4.57 -1.99 -0.04 114.58 125.16 3a1y h GLU 35 Ca -0.04 -0.03 0.04 0.00 -1.18 0.00 0.00 59.36 58.14 3a1y h GLU 35 Cb 0.93 -0.11 -0.05 0.00 -0.16 0.00 0.00 28.75 29.36 3a1y h GLU 35 CO 0.55 0.32 0.59 0.00 -1.18 0.00 0.00 179.01 179.29 3a1y h ALA 36 N 1.36 1.43 0.11 2.92 0.00 -1.98 0.16 119.26 123.26 3a1y h ALA 36 Ca 0.28 -0.04 -0.27 0.00 0.00 0.00 0.00 54.91 54.88 3a1y h ALA 36 Cb 0.27 -0.32 0.00 0.00 0.00 0.00 0.00 17.79 17.74 3a1y h ALA 36 CO -0.23 0.48 -1.19 0.00 0.00 0.00 0.00 179.25 178.31 3a1y h ARG 37 N 1.13 0.30 0.10 0.00 3.08 -1.67 -0.70 114.38 116.61 3a1y h ARG 37 Ca 0.36 -0.47 -0.00 0.00 0.07 0.00 0.00 59.98 59.94 3a1y h ARG 37 Cb 0.02 0.17 0.00 0.00 0.08 0.00 0.00 29.97 30.24 3a1y h ARG 37 CO -0.11 1.20 -0.05 0.82 -1.07 0.00 0.00 179.97 180.76 3a1y h ILE 38 N 0.10 0.94 -0.56 2.04 2.04 -0.57 -1.69 117.51 119.81 3a1y h ILE 38 Ca -0.13 -0.15 -0.11 0.00 1.00 0.00 0.00 64.86 65.48 3a1y h ILE 38 Cb 1.90 1.04 -0.02 0.00 -0.74 0.00 0.00 36.82 39.00 3a1y h ILE 38 CO 0.20 0.04 -0.06 0.50 0.00 0.00 0.00 178.15 178.82 3a1y h LYS 39 N -0.20 1.02 -0.72 2.37 3.64 -0.70 -1.89 116.57 120.09 3a1y h LYS 39 Ca -0.01 -0.35 0.01 0.00 -1.27 0.00 0.00 60.65 59.02 3a1y h LYS 39 Cb 0.16 -0.08 -0.04 0.00 -0.41 0.00 0.00 32.23 31.87 3a1y h LYS 39 CO 0.02 1.04 0.47 0.00 -2.27 0.00 0.00 179.45 178.72 3a1y h ALA 40 N 0.99 0.91 -0.14 5.00 0.00 -1.10 -0.12 119.26 124.80 3a1y h ALA 40 Ca 0.15 -0.05 -0.01 0.00 0.00 0.00 0.00 54.91 55.01 3a1y h ALA 40 Cb 0.62 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 18.12 3a1y h ALA 40 CO 0.04 0.32 0.07 1.25 0.00 0.00 0.00 179.25 180.92 3a1y h LEU 41 N 0.96 0.19 -0.60 0.00 7.12 -0.96 0.79 115.31 122.82 3a1y h LEU 41 Ca 0.27 -0.14 0.02 0.00 0.13 0.00 0.00 57.88 58.16 3a1y h LEU 41 Cb -0.10 -0.05 -0.04 0.00 -0.53 0.00 0.00 40.66 39.95 3a1y h LEU 41 CO -0.06 0.28 0.37 0.58 -0.13 0.00 0.00 178.44 179.48 3a1y h VAL 42 N 0.10 1.10 -0.47 1.05 2.07 -1.13 -1.50 116.25 117.47 3a1y h VAL 42 Ca 0.05 -0.26 -0.03 0.00 0.82 0.00 0.00 66.70 67.28 3a1y h VAL 42 Cb 0.14 0.28 -0.02 0.00 -1.52 0.00 0.00 31.29 30.17 3a1y h VAL 42 CO -0.01 0.14 0.18 0.00 0.02 0.00 0.00 177.57 177.91 3a1y h ALA 43 N 1.25 0.61 -0.46 1.67 0.00 -0.73 -1.93 119.26 119.66 3a1y h ALA 43 Ca 0.23 -0.15 -0.00 0.00 0.00 0.00 0.00 54.91 54.99 3a1y h ALA 43 Cb -0.02 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.57 3a1y h ALA 43 CO -0.08 0.22 0.27 0.00 0.00 0.00 0.00 179.25 179.66 3a1y h ALA 44 N 1.03 1.62 -0.01 0.00 0.00 -0.51 -2.78 119.26 118.61 3a1y h ALA 44 Ca 0.16 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 55.01 3a1y h ALA 44 Cb 0.20 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 17.80 3a1y h ALA 44 CO -0.01 0.33 -0.43 1.28 0.00 0.00 0.00 179.25 180.43 3a1y n LEU 45 N -4.44 0.99 -4.70 0.00 4.32 -0.59 -4.75 117.00 107.83 3a1y n LEU 45 Ca 0.04 -0.27 -0.42 0.00 -0.02 0.00 0.00 56.01 55.34 3a1y n LEU 45 Cb 0.08 -0.13 -0.03 0.00 -1.62 0.00 0.00 43.42 41.72 3a1y n LEU 45 CO 0.36 0.20 1.34 -0.70 -1.22 0.00 0.00 177.39 177.37 3a1y s GLU 46 N -2.70 4.17 0.00 3.23 2.56 -0.75 -1.83 118.70 123.39 3a1y s GLU 46 Ca 0.18 2.46 0.00 0.00 0.00 0.00 0.00 54.97 57.61 3a1y s GLU 46 Cb 0.18 -3.35 0.00 0.00 2.00 0.00 0.00 34.13 32.96 3a1y s GLU 46 CO 0.61 -0.72 0.00 0.41 -0.56 0.00 0.00 175.26 175.00 3a1y n GLY 47 N 3.97 1.76 3.69 -1.50 0.00 -1.26 -4.99 105.19 106.85 3a1y n GLY 47 Ca 0.16 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.75 3a1y n GLY 47 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3a1y s VAL 48 N -2.93 4.61 -0.86 1.61 1.01 -0.76 -4.97 120.40 118.10 3a1y s VAL 48 Ca 0.00 1.89 -0.25 0.00 0.00 0.00 0.00 61.98 63.62 3a1y s VAL 48 Cb 0.00 -4.22 0.04 0.00 0.00 0.00 0.00 36.38 32.21 3a1y s VAL 48 CO 0.00 0.00 1.34 0.21 0.00 0.00 0.00 175.10 176.66 3a1y s ASN 49 N 1.22 6.32 0.24 3.32 3.84 -1.26 -4.88 114.94 123.73 3a1y s ASN 49 Ca 0.51 -0.92 -0.05 0.00 0.21 0.00 0.00 52.86 52.61 3a1y s ASN 49 Cb -0.20 -2.56 0.26 0.00 -0.55 0.00 0.00 41.25 38.20 3a1y s ASN 49 CO 0.19 -1.67 1.79 0.40 -2.79 0.00 0.00 177.10 175.02 3a1y h ILE 50 N 6.36 1.25 -0.49 -5.21 2.04 -1.93 -1.76 117.51 117.76 3a1y h ILE 50 Ca -0.07 -0.85 -0.05 0.00 1.00 0.00 0.00 64.86 64.90 3a1y h ILE 50 Cb 1.03 0.51 -0.02 0.00 -0.74 0.00 0.00 36.82 37.60 3a1y h ILE 50 CO 1.34 0.33 0.11 0.44 0.00 0.00 0.00 178.15 180.37 3a1y h ASP 51 N 0.99 0.69 -0.22 1.72 5.19 -1.99 -0.12 116.42 122.68 3a1y h ASP 51 Ca 0.22 -0.12 -0.07 0.00 -0.62 0.00 0.00 57.03 56.44 3a1y h ASP 51 Cb 0.28 -0.18 -0.01 0.00 0.18 0.00 0.00 39.33 39.60 3a1y h ASP 51 CO -0.01 0.69 -0.12 -0.33 -3.12 0.00 0.00 179.24 176.35 3a1y h GLU 52 N 0.72 0.46 -0.54 3.56 4.39 -1.90 -1.97 114.58 119.30 3a1y h GLU 52 Ca 0.16 -0.21 0.10 0.00 0.34 0.00 0.00 59.36 59.75 3a1y h GLU 52 Cb 0.28 -0.01 -0.08 0.00 -0.10 0.00 0.00 28.75 28.84 3a1y h GLU 52 CO -0.00 0.75 0.08 0.28 -1.16 0.00 0.00 179.01 178.96 3a1y h VAL 53 N 0.16 0.65 -0.53 3.13 2.07 -0.97 -2.27 116.25 118.50 3a1y h VAL 53 Ca 0.05 -0.07 -0.04 0.00 0.82 0.00 0.00 66.70 67.45 3a1y h VAL 53 Cb 0.62 0.43 -0.02 0.00 -1.52 0.00 0.00 31.29 30.80 3a1y h VAL 53 CO 0.03 0.04 0.16 0.40 0.02 0.00 0.00 177.57 178.22 3a1y h ILE 54 N 0.21 1.23 0.00 4.57 2.04 -1.00 -2.93 117.51 121.64 3a1y h ILE 54 Ca 0.28 -0.80 -0.05 0.00 1.00 0.00 0.00 64.86 65.29 3a1y h ILE 54 Cb 0.40 0.76 -0.01 0.00 -0.74 0.00 0.00 36.82 37.23 3a1y h ILE 54 CO -0.39 0.29 -0.23 1.05 0.00 0.00 0.00 178.15 178.87 3a1y h GLU 55 N 0.73 0.00 0.00 2.37 4.11 -1.11 -1.02 114.58 119.66 3a1y h GLU 55 Ca 0.17 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.60 3a1y h GLU 55 Cb 0.29 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.54 3a1y h GLU 55 CO -0.00 0.23 0.00 1.63 0.07 0.00 0.00 179.01 180.94 3a1y n LYS 56 N -3.86 0.34 -4.46 1.06 5.02 -0.88 -4.93 118.16 110.46 3a1y n LYS 56 Ca -0.02 0.02 -0.40 0.00 -2.02 0.00 0.00 58.31 55.90 3a1y n LYS 56 Cb 0.32 -1.50 -0.08 0.00 -0.02 0.00 0.00 35.03 33.75 3a1y n LYS 56 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3a1y n ALA 57 N -1.31 -1.39 -1.68 7.82 0.00 -0.39 -5.10 120.51 118.46 3a1y n ALA 57 Ca 0.12 -0.26 0.00 0.00 0.00 0.00 0.00 53.44 53.30 3a1y n ALA 57 Cb 0.23 -2.07 0.00 0.00 0.00 0.00 0.00 19.45 17.62 3a1y n ALA 57 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50