#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 0.39 -0.43 3.17 9.09 -2.05 -2.19 114.58 122.56 3a1y h GLU 2 Ca 0.00 -0.16 -0.09 0.00 0.05 0.00 0.00 59.36 59.16 3a1y h GLU 2 Cb 0.00 -0.02 -0.02 0.00 -1.65 0.00 0.00 28.75 27.07 3a1y h GLU 2 CO 0.00 0.67 -0.11 1.88 0.05 0.00 0.00 179.01 181.49 3a1y h TYR 3 N 0.34 0.85 0.00 2.06 -1.99 -2.00 -0.62 116.97 115.62 3a1y h TYR 3 Ca 0.04 -0.16 -0.00 0.00 2.00 0.00 0.00 58.73 60.62 3a1y h TYR 3 Cb 0.72 -0.22 0.00 0.00 2.00 0.00 0.00 36.73 39.24 3a1y h TYR 3 CO 0.02 0.85 -0.00 0.28 -0.00 0.00 0.00 178.16 179.30 3a1y h VAL 4 N 0.70 1.35 -0.55 -2.88 2.07 -1.88 -1.75 116.25 113.31 3a1y h VAL 4 Ca 0.12 -1.05 -0.03 0.00 0.82 0.00 0.00 66.70 66.55 3a1y h VAL 4 Cb 0.59 2.07 -0.03 0.00 -1.52 0.00 0.00 31.29 32.40 3a1y h VAL 4 CO 0.04 0.27 0.21 1.88 0.02 0.00 0.00 177.57 179.99 3a1y h TYR 5 N -0.45 0.80 -0.43 1.57 0.05 -1.38 0.92 116.97 118.05 3a1y h TYR 5 Ca -0.00 -0.04 -0.04 0.00 0.05 0.00 0.00 58.73 58.70 3a1y h TYR 5 Cb 0.45 -0.25 -0.02 0.00 1.01 0.00 0.00 36.73 37.93 3a1y h TYR 5 CO 0.08 0.63 0.13 0.00 -1.05 0.00 0.00 178.16 177.95 3a1y h ALA 6 N 1.44 0.56 -0.50 3.88 0.00 -1.13 0.76 119.26 124.28 3a1y h ALA 6 Ca 0.19 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.92 3a1y h ALA 6 Cb 0.17 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.77 3a1y h ALA 6 CO -0.02 0.21 0.31 0.00 0.00 0.00 0.00 179.25 179.76 3a1y h ALA 7 N 0.98 0.63 -0.08 0.00 0.00 -0.67 -2.28 119.26 117.85 3a1y h ALA 7 Ca 0.14 -0.05 -0.13 0.00 0.00 0.00 0.00 54.91 54.86 3a1y h ALA 7 Cb 0.27 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.85 3a1y h ALA 7 CO -0.00 0.10 -0.55 -0.07 0.00 0.00 0.00 179.25 178.73 3a1y h LEU 8 N 0.67 0.25 -0.38 0.00 4.07 -0.62 -1.24 115.31 118.06 3a1y h LEU 8 Ca 0.18 -0.13 -0.00 0.00 0.08 0.00 0.00 57.88 58.01 3a1y h LEU 8 Cb -0.04 -0.07 -0.02 0.00 1.08 0.00 0.00 40.66 41.61 3a1y h LEU 8 CO -0.04 0.75 0.23 0.25 -1.08 0.00 0.00 178.44 178.55 3a1y h LEU 9 N 0.17 0.46 -0.41 1.67 5.85 -0.69 -1.42 115.31 120.94 3a1y h LEU 9 Ca 0.00 -0.05 -0.02 0.00 0.84 0.00 0.00 57.88 58.64 3a1y h LEU 9 Cb 1.02 -0.12 -0.02 0.00 0.37 0.00 0.00 40.66 41.92 3a1y h LEU 9 CO 0.08 0.38 0.17 -0.07 -0.34 0.00 0.00 178.44 178.66 3a1y h LEU 10 N 0.50 0.56 -0.64 2.25 3.38 -1.14 -2.89 115.31 117.33 3a1y h LEU 10 Ca 0.14 -0.16 0.04 0.00 0.09 0.00 0.00 57.88 57.99 3a1y h LEU 10 Cb 0.00 -0.15 -0.05 0.00 0.09 0.00 0.00 40.66 40.56 3a1y h LEU 10 CO -0.03 0.57 0.38 -0.74 0.09 0.00 0.00 178.44 178.71 3a1y h HIS 11 N 0.52 0.70 0.00 1.13 2.76 -1.14 -0.52 115.15 118.60 3a1y h HIS 11 Ca 0.14 0.02 0.00 0.00 -2.20 0.00 0.00 60.37 58.33 3a1y h HIS 11 Cb 0.18 -0.22 0.00 0.00 1.55 0.00 0.00 27.41 28.92 3a1y h HIS 11 CO -0.00 0.37 0.00 0.66 -1.30 0.00 0.00 177.93 177.66 3a1y h SER 12 N 0.72 0.00 0.00 3.26 4.64 -1.05 -1.67 113.55 119.45 3a1y h SER 12 Ca 0.27 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.59 3a1y h SER 12 Cb 0.10 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.19 3a1y h SER 12 CO -0.14 0.00 -0.68 0.52 -0.87 0.00 0.00 176.83 175.66 3a1y n VAL 13 N -2.87 0.00 -0.25 0.95 0.31 -0.92 -4.99 118.33 110.56 3a1y n VAL 13 Ca -0.01 -0.19 0.00 0.00 -0.01 0.00 0.00 64.34 64.12 3a1y n VAL 13 Cb 0.14 0.96 0.00 0.00 -0.91 0.00 0.00 33.84 34.02 3a1y n VAL 13 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3a1y n GLY 14 N 1.33 0.70 3.79 2.92 0.00 -0.63 -5.07 105.19 108.23 3a1y n GLY 14 Ca 0.02 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.68 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 -0.75 4.52 0.36 1.61 -0.14 -0.27 -4.99 119.74 120.07 3a1y s LYS 15 Ca 0.00 1.25 -0.28 0.00 -1.36 0.00 0.00 55.97 55.57 3a1y s LYS 15 Cb 0.00 -2.80 -0.11 0.00 -1.68 0.00 0.00 37.83 33.24 3a1y s LYS 15 CO 0.00 0.29 1.40 -1.21 -0.76 0.00 0.00 175.35 175.07 3a1y s GLU 16 N -2.06 4.22 -1.07 1.68 8.01 -1.26 -4.03 118.70 124.18 3a1y s GLU 16 Ca 0.49 2.40 -0.18 0.00 0.01 0.00 0.00 54.97 57.69 3a1y s GLU 16 Cb -0.18 -3.01 0.12 0.00 -4.31 0.00 0.00 34.13 26.75 3a1y s GLU 16 CO 0.23 -0.37 1.36 0.42 0.01 0.00 0.00 175.26 176.90 3a1y s ILE 17 N -1.13 4.58 0.43 -1.63 1.01 -1.26 -4.74 121.20 118.46 3a1y s ILE 17 Ca 0.51 -1.77 0.04 0.00 0.00 0.00 0.00 60.65 59.44 3a1y s ILE 17 Cb -0.43 -4.93 -0.05 0.00 0.01 0.00 0.00 42.46 37.06 3a1y s ILE 17 CO 0.58 -1.69 0.02 0.54 0.00 0.00 0.00 174.94 174.40 3a1y s ASN 18 N 3.74 3.66 0.18 3.58 6.03 -1.26 -4.95 114.94 125.93 3a1y s ASN 18 Ca 0.41 -1.50 -0.13 0.00 -1.03 0.00 0.00 52.86 50.61 3a1y s ASN 18 Cb -0.02 0.05 0.16 0.00 -3.03 0.00 0.00 41.25 38.40 3a1y s ASN 18 CO -0.05 -0.66 1.76 -0.33 -2.03 0.00 0.00 177.10 175.80 3a1y h GLU 19 N 1.67 0.38 -0.09 3.55 5.08 -1.94 -1.80 114.58 121.43 3a1y h GLU 19 Ca -0.43 -0.02 -0.00 0.00 -1.00 0.00 0.00 59.36 57.91 3a1y h GLU 19 Cb 1.27 -0.08 -0.00 0.00 0.50 0.00 0.00 28.75 30.43 3a1y h GLU 19 CO 0.75 0.25 0.05 1.49 -1.00 0.00 0.00 179.01 180.55 3a1y h GLU 20 N 0.39 0.13 -0.52 2.33 4.81 -1.97 -1.30 114.58 118.44 3a1y h GLU 20 Ca 0.23 -0.02 -0.08 0.00 -0.13 0.00 0.00 59.36 59.36 3a1y h GLU 20 Cb 0.21 -0.03 -0.02 0.00 0.63 0.00 0.00 28.75 29.55 3a1y h GLU 20 CO -0.21 0.17 0.00 -0.91 -0.73 0.00 0.00 179.01 177.33 3a1y h ASN 21 N 0.05 0.90 0.33 1.04 -0.26 -1.83 -1.47 115.58 114.35 3a1y h ASN 21 Ca 0.03 -0.30 -0.02 0.00 -0.56 0.00 0.00 56.30 55.45 3a1y h ASN 21 Cb 0.08 -0.24 0.00 0.00 -1.06 0.00 0.00 38.32 37.10 3a1y h ASN 21 CO -0.01 0.99 -0.16 -0.07 -1.06 0.00 0.00 177.43 177.13 3a1y h LEU 22 N 0.79 -0.37 -0.25 1.61 4.07 -1.27 -0.97 115.31 118.91 3a1y h LEU 22 Ca 0.15 -0.02 0.05 0.00 0.08 0.00 0.00 57.88 58.13 3a1y h LEU 22 Cb 0.52 0.10 -0.05 0.00 1.08 0.00 0.00 40.66 42.31 3a1y h LEU 22 CO 0.03 -0.22 -0.04 0.11 -1.08 0.00 0.00 178.44 177.23 3a1y h LYS 23 N -0.50 0.03 -0.10 1.13 1.57 -1.22 0.48 116.57 117.96 3a1y h LYS 23 Ca -0.04 -0.00 0.03 0.00 -1.87 0.00 0.00 60.65 58.77 3a1y h LYS 23 Cb 0.37 -0.01 -0.04 0.00 0.08 0.00 0.00 32.23 32.64 3a1y h LYS 23 CO 0.07 0.02 -0.10 0.00 -0.57 0.00 0.00 179.45 178.87 3a1y h ALA 24 N 1.24 -0.03 -0.40 3.86 0.00 -1.15 0.27 119.26 123.06 3a1y h ALA 24 Ca 0.12 0.04 0.01 0.00 0.00 0.00 0.00 54.91 55.09 3a1y h ALA 24 Cb 0.18 0.22 -0.02 0.00 0.00 0.00 0.00 17.79 18.16 3a1y h ALA 24 CO -0.24 -0.56 0.24 0.28 0.00 0.00 0.00 179.25 178.97 3a1y h VAL 25 N -0.13 1.06 0.18 0.00 2.07 -0.97 -1.45 116.25 117.01 3a1y h VAL 25 Ca 0.07 -0.17 -0.00 0.00 0.82 0.00 0.00 66.70 67.42 3a1y h VAL 25 Cb 0.24 0.52 -0.00 0.00 -1.52 0.00 0.00 31.29 30.53 3a1y h VAL 25 CO -0.18 0.09 -0.12 -0.07 0.02 0.00 0.00 177.57 177.31 3a1y h LEU 26 N 0.50 -0.30 -0.69 2.57 -0.00 -0.43 -2.08 115.31 114.87 3a1y h LEU 26 Ca 0.15 0.02 0.10 0.00 -0.00 0.00 0.00 57.88 58.15 3a1y h LEU 26 Cb -0.02 0.09 -0.07 0.00 -0.00 0.00 0.00 40.66 40.66 3a1y h LEU 26 CO -0.06 -0.19 0.32 1.56 -0.00 0.00 0.00 178.44 180.08 3a1y h GLN 27 N -0.30 0.53 0.00 1.13 1.08 -0.40 -0.64 115.11 116.52 3a1y h GLN 27 Ca -0.01 -0.03 -0.01 0.00 -1.45 0.00 0.00 58.65 57.14 3a1y h GLN 27 Cb 0.25 -0.12 -0.00 0.00 -0.05 0.00 0.00 27.48 27.56 3a1y h GLN 27 CO 0.01 0.35 -0.06 0.00 -0.95 0.00 0.00 178.83 178.19 3a1y h ALA 28 N 1.44 1.24 -0.42 3.87 0.00 -0.92 0.12 119.26 124.58 3a1y h ALA 28 Ca 0.35 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.21 3a1y h ALA 28 Cb 0.40 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.18 3a1y h ALA 28 CO -0.29 0.07 0.00 0.00 0.00 0.00 0.00 179.25 179.03 3a1y n ALA 29 N -2.23 2.50 -1.23 0.00 0.00 -0.30 -4.92 120.51 114.34 3a1y n ALA 29 Ca -0.02 -0.78 0.00 0.00 0.00 0.00 0.00 53.44 52.64 3a1y n ALA 29 Cb 0.18 -0.97 0.00 0.00 0.00 0.00 0.00 19.45 18.65 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 1.12 0.39 3.34 0.00 0.00 0.40 -5.06 105.19 105.38 3a1y n GLY 30 Ca 0.15 -1.04 -0.27 0.00 0.00 0.00 0.00 46.02 44.86 3a1y n GLY 30 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3a1y s VAL 31 N -2.00 2.02 -0.43 1.61 -7.23 -0.90 -5.01 120.40 108.46 3a1y s VAL 31 Ca 0.00 -1.63 -0.21 0.00 -1.81 0.00 0.00 61.98 58.33 3a1y s VAL 31 Cb 0.00 -1.80 0.02 0.00 0.56 0.00 0.00 36.38 35.16 3a1y s VAL 31 CO 0.00 0.06 0.68 -0.70 -0.31 0.00 0.00 175.10 174.83 3a1y s GLU 32 N -1.91 3.38 0.50 4.82 2.56 -1.26 -3.07 118.70 123.71 3a1y s GLU 32 Ca 0.11 -0.23 -0.23 0.00 0.00 0.00 0.00 54.97 54.61 3a1y s GLU 32 Cb -0.10 -3.92 -0.06 0.00 2.00 0.00 0.00 34.13 32.04 3a1y s GLU 32 CO 0.05 -0.99 1.37 -2.14 -0.56 0.00 0.00 175.26 172.98 3a1y s PRO 33 N 2.93 3.42 -0.22 4.30 0.02 -1.26 -5.00 135.00 139.19 3a1y s PRO 33 Ca 0.25 2.27 -0.04 0.00 0.02 0.00 0.00 61.00 63.50 3a1y s PRO 33 Cb -0.14 -2.44 -0.01 0.00 0.02 0.00 0.00 34.50 31.93 3a1y s PRO 33 CO 0.19 -0.98 -0.03 -1.21 -0.33 0.00 0.00 177.00 174.64 3a1y s GLU 34 N -2.69 3.44 0.28 5.54 2.02 -1.26 -5.02 118.70 121.01 3a1y s GLU 34 Ca 0.66 -0.60 0.01 0.00 0.02 0.00 0.00 54.97 55.07 3a1y s GLU 34 Cb -0.41 -3.03 0.66 0.00 0.10 0.00 0.00 34.13 31.45 3a1y s GLU 34 CO 0.50 -0.14 1.68 1.49 0.02 0.00 0.00 175.26 178.81 3a1y h GLU 35 N 7.96 0.30 -0.18 1.61 4.57 -1.99 0.67 114.58 127.52 3a1y h GLU 35 Ca -0.40 -0.02 -0.08 0.00 -1.18 0.00 0.00 59.36 57.68 3a1y h GLU 35 Cb 1.17 -0.07 -0.01 0.00 -0.16 0.00 0.00 28.75 29.68 3a1y h GLU 35 CO 0.60 0.20 -0.26 0.00 -1.18 0.00 0.00 179.01 178.37 3a1y h ALA 36 N 1.71 1.23 -0.03 2.92 0.00 -1.98 0.12 119.26 123.23 3a1y h ALA 36 Ca 0.52 -0.32 -0.22 0.00 0.00 0.00 0.00 54.91 54.89 3a1y h ALA 36 Cb 1.00 -0.10 0.02 0.00 0.00 0.00 0.00 17.79 18.70 3a1y h ALA 36 CO -0.57 0.51 -0.84 0.00 0.00 0.00 0.00 179.25 178.35 3a1y h ARG 37 N 0.30 0.62 -0.09 0.00 3.08 -1.36 -0.26 114.38 116.68 3a1y h ARG 37 Ca 0.05 -0.63 0.03 0.00 0.07 0.00 0.00 59.98 59.50 3a1y h ARG 37 Cb 0.62 0.17 -0.04 0.00 0.08 0.00 0.00 29.97 30.80 3a1y h ARG 37 CO 0.04 1.24 -0.14 0.82 -1.07 0.00 0.00 179.97 180.86 3a1y h ILE 38 N 0.26 0.64 -0.35 2.04 1.08 -0.94 -2.45 117.51 117.80 3a1y h ILE 38 Ca -0.10 0.00 -0.06 0.00 -0.39 0.00 0.00 64.86 64.32 3a1y h ILE 38 Cb 1.51 0.64 -0.02 0.00 -3.07 0.00 0.00 36.82 35.88 3a1y h ILE 38 CO 0.17 0.00 -0.03 0.11 -0.69 0.00 0.00 178.15 177.71 3a1y h LYS 39 N -0.19 0.55 -0.63 2.37 1.57 -0.70 -1.87 116.57 117.67 3a1y h LYS 39 Ca 0.08 -0.13 -0.08 0.00 -1.87 0.00 0.00 60.65 58.64 3a1y h LYS 39 Cb 0.30 -0.07 -0.02 0.00 0.08 0.00 0.00 32.23 32.51 3a1y h LYS 39 CO -0.20 0.59 0.06 0.00 -0.57 0.00 0.00 179.45 179.34 3a1y h ALA 40 N 1.46 0.91 0.10 3.86 0.00 -0.88 -0.84 119.26 123.87 3a1y h ALA 40 Ca 0.11 -0.29 -0.01 0.00 0.00 0.00 0.00 54.91 54.73 3a1y h ALA 40 Cb 0.38 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 17.93 3a1y h ALA 40 CO 0.02 0.66 -0.05 1.25 0.00 0.00 0.00 179.25 181.13 3a1y h LEU 41 N 0.99 -0.12 -0.48 0.00 5.85 -1.16 -0.06 115.31 120.33 3a1y h LEU 41 Ca 0.19 -0.31 0.08 0.00 0.84 0.00 0.00 57.88 58.67 3a1y h LEU 41 Cb 0.48 0.03 -0.06 0.00 0.37 0.00 0.00 40.66 41.48 3a1y h LEU 41 CO 0.02 0.26 0.10 0.58 -0.34 0.00 0.00 178.44 179.07 3a1y h VAL 42 N -0.51 0.75 -0.68 1.05 2.07 -1.32 -1.04 116.25 116.57 3a1y h VAL 42 Ca -0.01 -0.08 -0.07 0.00 0.82 0.00 0.00 66.70 67.35 3a1y h VAL 42 Cb 0.42 0.48 -0.03 0.00 -1.52 0.00 0.00 31.29 30.65 3a1y h VAL 42 CO 0.02 0.04 0.14 0.00 0.02 0.00 0.00 177.57 177.80 3a1y h ALA 43 N 1.36 0.96 -0.17 1.67 0.00 -1.14 -2.25 119.26 119.69 3a1y h ALA 43 Ca 0.24 -0.26 0.02 0.00 0.00 0.00 0.00 54.91 54.91 3a1y h ALA 43 Cb 0.30 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.82 3a1y h ALA 43 CO -0.30 0.66 0.12 0.00 0.00 0.00 0.00 179.25 179.73 3a1y h ALA 44 N 1.10 1.98 -0.00 0.00 0.00 -0.54 -2.72 119.26 119.08 3a1y h ALA 44 Ca 0.21 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.11 3a1y h ALA 44 Cb 0.40 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.15 3a1y h ALA 44 CO 0.01 -0.00 -0.35 1.28 0.00 0.00 0.00 179.25 180.18 3a1y n LEU 45 N -4.51 0.67 -4.69 0.00 4.32 -0.44 -4.85 117.00 107.51 3a1y n LEU 45 Ca 0.00 -0.07 -0.42 0.00 -0.02 0.00 0.00 56.01 55.49 3a1y n LEU 45 Cb 0.14 -0.21 -0.03 0.00 -1.62 0.00 0.00 43.42 41.70 3a1y n LEU 45 CO 0.35 0.14 1.48 -0.62 -1.22 0.00 0.00 177.39 177.52 3a1y n GLU 46 N -1.14 2.79 -0.98 3.23 1.02 -0.96 -1.11 120.64 123.50 3a1y n GLU 46 Ca 0.09 1.02 0.00 0.00 -0.02 0.00 0.00 57.16 58.24 3a1y n GLU 46 Cb 0.34 -2.91 0.00 0.00 -0.02 0.00 0.00 31.44 28.84 3a1y n GLU 46 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3a1y n GLY 47 N 4.24 0.49 3.61 0.62 0.00 -1.26 -5.00 105.19 107.88 3a1y n GLY 47 Ca 0.18 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.82 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 -2.13 5.31 -0.53 1.61 1.01 -0.26 -5.04 120.40 120.36 3a1y s VAL 48 Ca 0.00 0.21 -0.23 0.00 0.00 0.00 0.00 61.98 61.96 3a1y s VAL 48 Cb 0.00 -3.54 0.04 0.00 0.00 0.00 0.00 36.38 32.88 3a1y s VAL 48 CO 0.00 0.26 0.88 0.21 0.00 0.00 0.00 175.10 176.45 3a1y s ASN 49 N 1.60 6.34 0.26 3.32 3.84 -1.26 -4.94 114.94 124.11 3a1y s ASN 49 Ca 0.08 -0.37 -0.01 0.00 0.21 0.00 0.00 52.86 52.77 3a1y s ASN 49 Cb -0.15 -2.41 0.35 0.00 -0.55 0.00 0.00 41.25 38.49 3a1y s ASN 49 CO 0.10 -1.13 1.76 0.40 -2.79 0.00 0.00 177.10 175.43 3a1y h ILE 50 N 6.00 1.24 -0.53 -5.21 2.04 -1.96 -2.03 117.51 117.05 3a1y h ILE 50 Ca -0.26 -1.02 0.07 0.00 1.00 0.00 0.00 64.86 64.64 3a1y h ILE 50 Cb 1.08 0.93 -0.06 0.00 -0.74 0.00 0.00 36.82 38.04 3a1y h ILE 50 CO 1.05 0.36 0.22 0.44 0.00 0.00 0.00 178.15 180.22 3a1y h ASP 51 N 0.70 0.27 -0.44 1.72 3.32 -1.99 0.10 116.42 120.09 3a1y h ASP 51 Ca 0.13 0.05 -0.12 0.00 0.02 0.00 0.00 57.03 57.11 3a1y h ASP 51 Cb 0.47 0.02 -0.01 0.00 0.22 0.00 0.00 39.33 40.02 3a1y h ASP 51 CO 0.02 0.18 -0.18 -0.33 -1.72 0.00 0.00 179.24 177.21 3a1y h GLU 52 N 0.43 0.94 0.12 3.56 5.08 -1.90 -0.39 114.58 122.42 3a1y h GLU 52 Ca 0.25 -0.38 -0.01 0.00 -1.00 0.00 0.00 59.36 58.23 3a1y h GLU 52 Cb 0.25 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 29.45 3a1y h GLU 52 CO -0.23 1.04 -0.06 0.28 -1.00 0.00 0.00 179.01 179.04 3a1y h VAL 53 N 0.82 0.90 -0.46 3.13 2.07 -0.89 -3.19 116.25 118.64 3a1y h VAL 53 Ca 0.12 -0.07 -0.06 0.00 0.82 0.00 0.00 66.70 67.50 3a1y h VAL 53 Cb 0.74 0.94 -0.02 0.00 -1.52 0.00 0.00 31.29 31.43 3a1y h VAL 53 CO 0.06 0.02 0.03 0.40 0.02 0.00 0.00 177.57 178.10 3a1y h ILE 54 N -0.20 1.23 -0.95 4.57 2.04 -0.68 -2.23 117.51 121.29 3a1y h ILE 54 Ca -0.02 -0.89 0.22 0.00 1.00 0.00 0.00 64.86 65.16 3a1y h ILE 54 Cb 0.16 0.84 -0.08 0.00 -0.74 0.00 0.00 36.82 37.00 3a1y h ILE 54 CO 0.03 0.32 0.62 -0.08 0.00 0.00 0.00 178.15 179.03 3a1y h GLU 55 N 0.69 0.44 -0.48 2.37 4.81 -1.05 -0.37 114.58 120.99 3a1y h GLU 55 Ca 0.14 -0.03 0.00 0.00 -0.13 0.00 0.00 59.36 59.35 3a1y h GLU 55 Cb 0.38 -0.10 0.00 0.00 0.63 0.00 0.00 28.75 29.66 3a1y h GLU 55 CO 0.01 0.29 0.00 1.63 -0.73 0.00 0.00 179.01 180.21 3a1y n LYS 56 N -4.56 2.39 0.01 1.92 5.02 -0.84 -4.55 118.16 117.54 3a1y n LYS 56 Ca 0.21 -2.12 0.11 0.00 -2.02 0.00 0.00 58.31 54.49 3a1y n LYS 56 Cb 0.72 -1.49 -0.13 0.00 -0.02 0.00 0.00 35.03 34.11 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 1.27 2.97 0.00 7.82 0.00 -0.15 -5.13 120.51 127.30 3a1y n ALA 57 Ca 0.20 -0.48 0.00 0.00 0.00 0.00 0.00 53.44 53.16 3a1y n ALA 57 Cb 0.53 -0.81 0.00 0.00 0.00 0.00 0.00 19.45 19.17 3a1y n ALA 57 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50