#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 0.27 -0.62 0.03 9.09 -2.05 -1.57 114.58 119.73 3a1y h GLU 2 Ca 0.00 -0.09 -0.09 0.00 0.05 0.00 0.00 59.36 59.23 3a1y h GLU 2 Cb 0.00 -0.02 -0.02 0.00 -1.65 0.00 0.00 28.75 27.06 3a1y h GLU 2 CO 0.00 0.52 0.05 1.88 0.05 0.00 0.00 179.01 181.51 3a1y h TYR 3 N 0.25 1.15 -0.28 2.06 -1.99 -1.99 -1.60 116.97 114.56 3a1y h TYR 3 Ca 0.04 -0.18 -0.08 0.00 2.00 0.00 0.00 58.73 60.50 3a1y h TYR 3 Cb 0.59 -0.31 -0.01 0.00 2.00 0.00 0.00 36.73 39.01 3a1y h TYR 3 CO 0.01 0.99 -0.15 0.28 -0.00 0.00 0.00 178.16 179.30 3a1y h VAL 4 N 0.97 1.30 -0.82 -2.88 2.07 -1.75 -0.99 116.25 114.15 3a1y h VAL 4 Ca 0.18 -1.25 0.06 0.00 0.82 0.00 0.00 66.70 66.51 3a1y h VAL 4 Cb 0.50 1.51 -0.06 0.00 -1.52 0.00 0.00 31.29 31.72 3a1y h VAL 4 CO 0.02 0.40 0.49 1.88 0.02 0.00 0.00 177.57 180.38 3a1y h TYR 5 N 0.34 0.91 -0.59 1.57 0.05 -1.25 0.37 116.97 118.38 3a1y h TYR 5 Ca 0.06 0.03 -0.03 0.00 0.05 0.00 0.00 58.73 58.84 3a1y h TYR 5 Cb 0.67 -0.29 -0.03 0.00 1.01 0.00 0.00 36.73 38.10 3a1y h TYR 5 CO 0.06 0.45 0.24 0.00 -1.05 0.00 0.00 178.16 177.87 3a1y h ALA 6 N 1.40 0.76 -0.33 3.88 0.00 -1.20 -0.31 119.26 123.46 3a1y h ALA 6 Ca 0.36 -0.16 -0.02 0.00 0.00 0.00 0.00 54.91 55.09 3a1y h ALA 6 Cb 0.19 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.73 3a1y h ALA 6 CO -0.18 0.37 0.12 0.00 0.00 0.00 0.00 179.25 179.57 3a1y h ALA 7 N 1.09 0.44 -0.20 0.00 0.00 -0.48 -2.37 119.26 117.74 3a1y h ALA 7 Ca 0.20 -0.14 -0.12 0.00 0.00 0.00 0.00 54.91 54.85 3a1y h ALA 7 Cb 0.19 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.84 3a1y h ALA 7 CO -0.02 0.05 -0.40 -0.07 0.00 0.00 0.00 179.25 178.81 3a1y h LEU 8 N 0.39 0.48 -0.09 0.00 3.38 -0.82 -0.80 115.31 117.85 3a1y h LEU 8 Ca 0.11 -0.21 0.04 0.00 0.09 0.00 0.00 57.88 57.91 3a1y h LEU 8 Cb 0.21 -0.13 -0.05 0.00 0.09 0.00 0.00 40.66 40.78 3a1y h LEU 8 CO -0.01 0.83 -0.18 0.25 0.09 0.00 0.00 178.44 179.42 3a1y h LEU 9 N 0.38 -0.55 -0.24 1.67 5.85 -0.98 0.41 115.31 121.84 3a1y h LEU 9 Ca 0.03 0.09 0.04 0.00 0.84 0.00 0.00 57.88 58.88 3a1y h LEU 9 Cb 0.87 0.25 -0.03 0.00 0.37 0.00 0.00 40.66 42.11 3a1y h LEU 9 CO 0.07 -0.23 0.03 -0.07 -0.34 0.00 0.00 178.44 177.90 3a1y h LEU 10 N -0.25 -0.03 -1.12 2.25 -0.00 -1.11 -2.79 115.31 112.27 3a1y h LEU 10 Ca 0.09 0.05 -0.01 0.00 -0.00 0.00 0.00 57.88 58.00 3a1y h LEU 10 Cb 0.37 0.07 -0.04 0.00 -0.00 0.00 0.00 40.66 41.06 3a1y h LEU 10 CO -0.24 0.01 0.45 -0.74 -0.00 0.00 0.00 178.44 177.93 3a1y h HIS 11 N 0.11 1.03 0.00 1.13 2.76 -0.97 0.66 115.15 119.87 3a1y h HIS 11 Ca 0.11 -0.01 -0.00 0.00 -2.20 0.00 0.00 60.37 58.27 3a1y h HIS 11 Cb 0.13 -0.34 -0.00 0.00 1.55 0.00 0.00 27.41 28.75 3a1y h HIS 11 CO -0.17 0.70 -0.02 0.66 -1.30 0.00 0.00 177.93 177.79 3a1y h SER 12 N 1.07 0.00 -0.39 3.26 4.64 -0.63 -1.61 113.55 119.90 3a1y h SER 12 Ca 0.28 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.60 3a1y h SER 12 Cb -0.02 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.07 3a1y h SER 12 CO -0.05 0.02 0.00 1.33 -0.87 0.00 0.00 176.83 177.26 3a1y n VAL 13 N -3.94 1.52 -1.42 0.95 0.24 -0.95 -4.97 118.33 109.76 3a1y n VAL 13 Ca -0.03 -1.29 -0.06 0.00 -2.04 0.00 0.00 64.34 60.91 3a1y n VAL 13 Cb 0.11 0.22 -0.02 0.00 -1.47 0.00 0.00 33.84 32.67 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 0.35 0.68 3.83 7.63 0.00 -0.61 -5.02 105.19 112.07 3a1y n GLY 14 Ca 0.17 -0.73 -0.38 0.00 0.00 0.00 0.00 46.02 45.08 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 -2.98 3.89 0.29 1.61 -0.14 0.18 -5.00 119.74 117.59 3a1y s LYS 15 Ca 0.00 0.35 -0.30 0.00 -1.36 0.00 0.00 55.97 54.66 3a1y s LYS 15 Cb 0.00 -3.23 -0.11 0.00 -1.68 0.00 0.00 37.83 32.81 3a1y s LYS 15 CO 0.00 0.67 1.60 -2.00 -0.76 0.00 0.00 175.35 174.86 3a1y s GLU 16 N -0.98 4.12 -0.82 1.68 2.12 -1.26 -3.83 118.70 119.74 3a1y s GLU 16 Ca 0.23 2.58 -0.20 0.00 0.36 0.00 0.00 54.97 57.93 3a1y s GLU 16 Cb -0.16 -3.03 0.10 0.00 0.26 0.00 0.00 34.13 31.31 3a1y s GLU 16 CO 0.12 -0.64 1.07 0.42 -0.54 0.00 0.00 175.26 175.69 3a1y s ILE 17 N 0.05 4.53 0.41 -3.70 1.01 -1.26 -4.76 121.20 117.49 3a1y s ILE 17 Ca 0.64 -1.04 0.04 0.00 0.00 0.00 0.00 60.65 60.29 3a1y s ILE 17 Cb -0.48 -4.75 -0.02 0.00 0.01 0.00 0.00 42.46 37.23 3a1y s ILE 17 CO 0.47 -1.50 0.16 0.54 0.00 0.00 0.00 174.94 174.61 3a1y s ASN 18 N 3.72 2.77 0.15 3.58 2.20 -1.26 -4.97 114.94 121.14 3a1y s ASN 18 Ca 0.28 -1.73 -0.13 0.00 -0.94 0.00 0.00 52.86 50.34 3a1y s ASN 18 Cb -0.10 0.59 0.03 0.00 -2.00 0.00 0.00 41.25 39.77 3a1y s ASN 18 CO -0.01 -0.99 1.68 -0.08 -2.94 0.00 0.00 177.10 174.76 3a1y h GLU 19 N 1.77 0.78 0.10 3.55 4.81 -1.93 -1.68 114.58 121.98 3a1y h GLU 19 Ca -0.33 -0.16 -0.00 0.00 -0.13 0.00 0.00 59.36 58.73 3a1y h GLU 19 Cb 1.27 -0.11 0.00 0.00 0.63 0.00 0.00 28.75 30.54 3a1y h GLU 19 CO 0.53 0.72 -0.05 1.49 -0.73 0.00 0.00 179.01 180.97 3a1y h GLU 20 N 0.68 -0.13 -0.58 1.92 4.81 -1.97 -0.48 114.58 118.83 3a1y h GLU 20 Ca 0.16 0.01 -0.10 0.00 -0.13 0.00 0.00 59.36 59.30 3a1y h GLU 20 Cb 0.26 0.03 -0.02 0.00 0.63 0.00 0.00 28.75 29.65 3a1y h GLU 20 CO -0.01 -0.07 -0.04 -0.91 -0.73 0.00 0.00 179.01 177.26 3a1y h ASN 21 N -0.15 1.03 -0.27 1.04 -0.26 -1.84 -0.76 115.58 114.37 3a1y h ASN 21 Ca -0.01 -0.32 -0.01 0.00 -0.56 0.00 0.00 56.30 55.39 3a1y h ASN 21 Cb 0.12 -0.28 -0.01 0.00 -1.06 0.00 0.00 38.32 37.09 3a1y h ASN 21 CO 0.02 1.11 0.13 -0.07 -1.06 0.00 0.00 177.43 177.56 3a1y h LEU 22 N 0.93 0.35 -0.44 1.61 4.07 -1.23 -2.12 115.31 118.48 3a1y h LEU 22 Ca 0.16 -0.12 0.00 0.00 0.08 0.00 0.00 57.88 58.00 3a1y h LEU 22 Cb 0.60 -0.09 -0.02 0.00 1.08 0.00 0.00 40.66 42.23 3a1y h LEU 22 CO 0.04 0.37 0.28 0.11 -1.08 0.00 0.00 178.44 178.16 3a1y h LYS 23 N 0.31 0.59 -0.60 1.13 1.57 -0.88 -1.56 116.57 117.13 3a1y h LYS 23 Ca 0.09 -0.05 0.01 0.00 -1.87 0.00 0.00 60.65 58.84 3a1y h LYS 23 Cb 0.11 -0.13 -0.03 0.00 0.08 0.00 0.00 32.23 32.26 3a1y h LYS 23 CO -0.01 0.42 0.39 0.00 -0.57 0.00 0.00 179.45 179.67 3a1y h ALA 24 N 1.14 0.76 -0.30 3.86 0.00 -1.04 -0.47 119.26 123.21 3a1y h ALA 24 Ca 0.16 -0.04 -0.07 0.00 0.00 0.00 0.00 54.91 54.97 3a1y h ALA 24 Cb -0.03 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.52 3a1y h ALA 24 CO -0.03 0.17 -0.07 0.28 0.00 0.00 0.00 179.25 179.60 3a1y h VAL 25 N 0.79 1.28 -0.32 0.00 2.07 -1.22 -2.26 116.25 116.59 3a1y h VAL 25 Ca 0.22 -1.11 -0.01 0.00 0.82 0.00 0.00 66.70 66.62 3a1y h VAL 25 Cb -0.07 1.38 -0.01 0.00 -1.52 0.00 0.00 31.29 31.07 3a1y h VAL 25 CO -0.06 0.36 0.15 -0.07 0.02 0.00 0.00 177.57 177.97 3a1y h LEU 26 N 0.36 0.43 -1.17 2.57 4.07 -1.15 -2.28 115.31 118.13 3a1y h LEU 26 Ca 0.08 -0.13 -0.00 0.00 0.08 0.00 0.00 57.88 57.90 3a1y h LEU 26 Cb 0.56 -0.11 -0.04 0.00 1.08 0.00 0.00 40.66 42.15 3a1y h LEU 26 CO 0.03 0.44 0.45 1.56 -1.08 0.00 0.00 178.44 179.84 3a1y h GLN 27 N 0.38 1.02 0.00 1.13 4.20 -1.08 -1.35 115.11 119.42 3a1y h GLN 27 Ca 0.11 -0.09 -0.04 0.00 0.06 0.00 0.00 58.65 58.69 3a1y h GLN 27 Cb 0.13 -0.22 -0.01 0.00 0.30 0.00 0.00 27.48 27.69 3a1y h GLN 27 CO -0.01 0.71 -0.19 0.00 -0.67 0.00 0.00 178.83 178.68 3a1y h ALA 28 N 1.46 1.47 -0.03 3.87 0.00 -1.13 -0.18 119.26 124.73 3a1y h ALA 28 Ca 0.27 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 55.01 3a1y h ALA 28 Cb -0.04 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.72 3a1y h ALA 28 CO -0.05 0.23 0.00 0.00 0.00 0.00 0.00 179.25 179.43 3a1y n ALA 29 N -2.40 2.60 -0.72 0.00 0.00 -0.54 -4.89 120.51 114.55 3a1y n ALA 29 Ca -0.02 -0.20 0.00 0.00 0.00 0.00 0.00 53.44 53.22 3a1y n ALA 29 Cb 0.27 -1.27 0.00 0.00 0.00 0.00 0.00 19.45 18.44 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 0.87 0.56 3.38 0.00 0.00 -0.08 -5.07 105.19 104.85 3a1y n GLY 30 Ca 0.15 -0.75 -0.29 0.00 0.00 0.00 0.00 46.02 45.12 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 2.24 -0.37 1.61 -7.23 -0.99 -5.02 120.40 108.64 3a1y s VAL 31 Ca 0.00 -1.60 -0.27 0.00 -1.81 0.00 0.00 61.98 58.29 3a1y s VAL 31 Cb 0.00 -1.95 0.02 0.00 0.56 0.00 0.00 36.38 35.01 3a1y s VAL 31 CO 0.00 0.20 1.00 -0.70 -0.31 0.00 0.00 175.10 175.29 3a1y s GLU 32 N -1.74 3.88 0.35 4.82 2.12 -1.26 -3.32 118.70 123.55 3a1y s GLU 32 Ca 0.13 0.71 -0.27 0.00 0.36 0.00 0.00 54.97 55.90 3a1y s GLU 32 Cb -0.10 -3.80 -0.09 0.00 0.26 0.00 0.00 34.13 30.40 3a1y s GLU 32 CO 0.05 -1.00 1.14 -2.14 -0.54 0.00 0.00 175.26 172.77 3a1y s PRO 33 N 3.67 4.33 -0.33 4.30 0.02 -1.26 -4.98 135.00 140.75 3a1y s PRO 33 Ca 0.42 1.83 -0.22 0.00 0.02 0.00 0.00 61.00 63.05 3a1y s PRO 33 Cb -0.11 -2.90 -0.00 0.00 0.02 0.00 0.00 34.50 31.51 3a1y s PRO 33 CO 0.20 -0.08 0.71 -2.00 -0.33 0.00 0.00 177.00 175.50 3a1y s GLU 34 N -1.94 3.84 0.29 5.54 2.12 -1.26 -4.95 118.70 122.34 3a1y s GLU 34 Ca 0.51 0.34 0.03 0.00 0.36 0.00 0.00 54.97 56.21 3a1y s GLU 34 Cb -0.31 -3.76 0.63 0.00 0.26 0.00 0.00 34.13 30.95 3a1y s GLU 34 CO 0.40 -0.69 1.80 1.49 -0.54 0.00 0.00 175.26 177.72 3a1y h GLU 35 N 8.28 0.84 -0.78 4.30 4.57 -2.00 -1.18 114.58 128.61 3a1y h GLU 35 Ca -0.25 -0.05 -0.05 0.00 -1.18 0.00 0.00 59.36 57.83 3a1y h GLU 35 Cb 1.10 -0.19 -0.03 0.00 -0.16 0.00 0.00 28.75 29.47 3a1y h GLU 35 CO 0.86 0.55 0.30 0.00 -1.18 0.00 0.00 179.01 179.54 3a1y h ALA 36 N 1.59 1.04 -0.47 2.92 0.00 -1.99 -0.05 119.26 122.31 3a1y h ALA 36 Ca 0.53 -0.20 -0.12 0.00 0.00 0.00 0.00 54.91 55.12 3a1y h ALA 36 Cb 0.68 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 18.15 3a1y h ALA 36 CO -0.33 0.67 -0.19 0.00 0.00 0.00 0.00 179.25 179.41 3a1y h ARG 37 N 1.14 0.95 -0.07 0.00 3.08 -1.65 0.18 114.38 118.01 3a1y h ARG 37 Ca 0.26 -0.40 -0.00 0.00 0.07 0.00 0.00 59.98 59.91 3a1y h ARG 37 Cb 0.24 -0.04 -0.00 0.00 0.08 0.00 0.00 29.97 30.25 3a1y h ARG 37 CO -0.02 1.06 0.03 0.82 -1.07 0.00 0.00 179.97 180.79 3a1y h ILE 38 N 0.79 1.12 -0.30 2.04 2.04 -1.28 -1.91 117.51 120.02 3a1y h ILE 38 Ca 0.11 -0.36 0.06 0.00 1.00 0.00 0.00 64.86 65.67 3a1y h ILE 38 Cb 0.76 1.24 -0.05 0.00 -0.74 0.00 0.00 36.82 38.02 3a1y h ILE 38 CO 0.06 0.10 -0.05 0.50 0.00 0.00 0.00 178.15 178.76 3a1y h LYS 39 N -0.03 0.02 -0.77 2.37 3.64 -0.87 -1.44 116.57 119.50 3a1y h LYS 39 Ca 0.02 -0.00 -0.05 0.00 -1.27 0.00 0.00 60.65 59.35 3a1y h LYS 39 Cb 0.14 -0.01 -0.03 0.00 -0.41 0.00 0.00 32.23 31.92 3a1y h LYS 39 CO -0.00 0.02 0.28 0.00 -2.27 0.00 0.00 179.45 177.47 3a1y h ALA 40 N 1.29 1.04 -0.23 5.00 0.00 -0.93 -2.00 119.26 123.43 3a1y h ALA 40 Ca 0.14 -0.21 -0.04 0.00 0.00 0.00 0.00 54.91 54.81 3a1y h ALA 40 Cb 0.21 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 17.69 3a1y h ALA 40 CO -0.29 0.66 -0.00 1.25 0.00 0.00 0.00 179.25 180.88 3a1y h LEU 41 N 1.13 0.40 -0.92 0.00 5.85 -1.04 0.77 115.31 121.50 3a1y h LEU 41 Ca 0.25 -0.31 0.01 0.00 0.84 0.00 0.00 57.88 58.68 3a1y h LEU 41 Cb 0.25 -0.11 -0.05 0.00 0.37 0.00 0.00 40.66 41.13 3a1y h LEU 41 CO -0.02 0.61 0.61 0.58 -0.34 0.00 0.00 178.44 179.89 3a1y h VAL 42 N 0.17 1.23 -0.51 1.05 2.07 -1.10 -1.48 116.25 117.68 3a1y h VAL 42 Ca 0.06 -0.43 -0.10 0.00 0.82 0.00 0.00 66.70 67.06 3a1y h VAL 42 Cb 0.41 -0.12 -0.02 0.00 -1.52 0.00 0.00 31.29 30.04 3a1y h VAL 42 CO 0.01 0.23 -0.05 0.00 0.02 0.00 0.00 177.57 177.78 3a1y h ALA 43 N 1.34 0.69 0.00 1.67 0.00 -1.21 -2.75 119.26 119.00 3a1y h ALA 43 Ca 0.34 -0.32 -0.02 0.00 0.00 0.00 0.00 54.91 54.91 3a1y h ALA 43 Cb -0.13 -0.18 -0.00 0.00 0.00 0.00 0.00 17.79 17.47 3a1y h ALA 43 CO -0.08 0.55 -0.11 0.00 0.00 0.00 0.00 179.25 179.62 3a1y h ALA 44 N 0.92 1.59 -0.00 0.00 0.00 -0.38 -2.76 119.26 118.63 3a1y h ALA 44 Ca 0.14 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.95 3a1y h ALA 44 Cb 0.60 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.37 3a1y h ALA 44 CO 0.04 0.14 -0.32 1.28 0.00 0.00 0.00 179.25 180.39 3a1y n LEU 45 N -4.07 0.42 -4.71 0.00 4.32 -0.60 -4.83 117.00 107.53 3a1y n LEU 45 Ca -0.02 0.10 -0.42 0.00 -0.02 0.00 0.00 56.01 55.65 3a1y n LEU 45 Cb 0.19 -0.29 -0.03 0.00 -1.62 0.00 0.00 43.42 41.67 3a1y n LEU 45 CO 0.33 0.10 1.35 -0.70 -1.22 0.00 0.00 177.39 177.24 3a1y s GLU 46 N -2.90 4.16 0.00 3.23 -6.30 -1.04 -1.70 118.70 114.15 3a1y s GLU 46 Ca 0.15 2.51 0.00 0.00 -2.50 0.00 0.00 54.97 55.13 3a1y s GLU 46 Cb 0.18 -3.25 0.00 0.00 0.00 0.00 0.00 34.13 31.06 3a1y s GLU 46 CO 0.62 -0.73 0.00 0.41 0.02 0.00 0.00 175.26 175.58 3a1y n GLY 47 N 3.97 0.99 3.72 -1.50 0.00 -1.26 -5.00 105.19 106.11 3a1y n GLY 47 Ca 0.16 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.79 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 -3.79 5.09 -0.76 1.61 1.01 -0.69 -5.01 120.40 117.87 3a1y s VAL 48 Ca 0.00 1.28 -0.23 0.00 0.00 0.00 0.00 61.98 63.03 3a1y s VAL 48 Cb 0.00 -3.97 0.07 0.00 0.00 0.00 0.00 36.38 32.49 3a1y s VAL 48 CO 0.00 0.27 1.10 0.21 0.00 0.00 0.00 175.10 176.68 3a1y s ASN 49 N 0.76 6.29 0.21 3.32 3.84 -1.26 -4.92 114.94 123.18 3a1y s ASN 49 Ca 0.34 -1.13 -0.10 0.00 0.21 0.00 0.00 52.86 52.18 3a1y s ASN 49 Cb -0.17 -2.46 0.16 0.00 -0.55 0.00 0.00 41.25 38.24 3a1y s ASN 49 CO 0.15 -1.45 1.87 0.40 -2.79 0.00 0.00 177.10 175.28 3a1y h ILE 50 N 6.05 1.21 -0.84 -5.21 2.04 -1.95 -2.30 117.51 116.51 3a1y h ILE 50 Ca -0.15 -0.41 0.16 0.00 1.00 0.00 0.00 64.86 65.46 3a1y h ILE 50 Cb 1.05 0.09 -0.06 0.00 -0.74 0.00 0.00 36.82 37.16 3a1y h ILE 50 CO 1.21 0.21 0.55 0.44 0.00 0.00 0.00 178.15 180.56 3a1y h ASP 51 N 1.05 0.49 0.04 1.72 3.32 -2.01 -2.30 116.42 118.73 3a1y h ASP 51 Ca 0.28 0.03 -0.00 0.00 0.02 0.00 0.00 57.03 57.36 3a1y h ASP 51 Cb -0.09 -0.06 0.00 0.00 0.22 0.00 0.00 39.33 39.40 3a1y h ASP 51 CO -0.06 0.24 -0.02 -0.33 -1.72 0.00 0.00 179.24 177.35 3a1y h GLU 52 N 0.51 -0.05 0.00 3.56 5.08 -1.86 -3.39 114.58 118.44 3a1y h GLU 52 Ca 0.43 0.00 -0.03 0.00 -1.00 0.00 0.00 59.36 58.76 3a1y h GLU 52 Cb 0.89 0.01 -0.00 0.00 0.50 0.00 0.00 28.75 30.15 3a1y h GLU 52 CO -0.17 0.53 -0.13 -0.39 -1.00 0.00 0.00 179.01 177.86 3a1y h VAL 53 N -0.95 0.34 0.00 3.13 -1.51 -1.20 -2.53 116.25 113.53 3a1y h VAL 53 Ca -0.01 -0.80 0.00 0.00 -1.23 0.00 0.00 66.70 64.66 3a1y h VAL 53 Cb 0.60 1.60 0.00 0.00 -2.13 0.00 0.00 31.29 31.36 3a1y h VAL 53 CO 0.01 0.12 0.00 2.30 -1.23 0.00 0.00 177.57 178.77 3a1y n ILE 54 N -3.31 1.30 0.51 7.19 -5.35 -0.89 -3.84 119.36 114.98 3a1y n ILE 54 Ca -0.00 0.38 0.09 0.00 -0.27 0.00 0.00 62.75 62.94 3a1y n ILE 54 Cb 0.35 -1.26 0.11 0.00 -1.74 0.00 0.00 39.64 37.11 3a1y n ILE 54 CO 0.00 0.00 0.00 -0.62 -1.76 0.00 0.00 176.55 174.17 3a1y n GLU 55 N -1.68 1.74 -3.95 6.28 -0.58 -0.95 -5.00 120.64 116.51 3a1y n GLU 55 Ca 0.02 -1.73 -0.13 0.00 -0.42 0.00 0.00 57.16 54.90 3a1y n GLU 55 Cb 0.11 -1.36 -0.14 0.00 -0.57 0.00 0.00 31.44 29.48 3a1y n GLU 55 CO 0.00 0.00 0.00 -1.59 -0.48 0.00 0.00 177.13 175.06 3a1y s LYS 56 N -1.36 0.13 0.00 3.49 -2.85 -1.25 -5.10 119.74 112.80 3a1y s LYS 56 Ca 0.24 -0.08 0.00 0.00 -1.00 0.00 0.00 55.97 55.13 3a1y s LYS 56 Cb 0.16 -0.11 0.00 0.00 -2.06 0.00 0.00 37.83 35.82 3a1y s LYS 56 CO 0.23 0.03 0.00 0.00 0.10 0.00 0.00 175.35 175.70 3a1y n ALA 57 N 2.98 0.00 0.00 0.59 0.00 -1.26 -5.09 120.51 117.72 3a1y n ALA 57 Ca -0.13 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.31 3a1y n ALA 57 Cb 0.59 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.04 3a1y n ALA 57 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50