#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1y3j s SER 2 N 0.00 3.60 0.21 6.41 1.04 -1.26 -4.36 113.70 119.33 1y3j s SER 2 Ca 0.00 1.76 -0.17 0.00 0.48 0.00 0.00 55.95 58.03 1y3j s SER 2 Cb 0.00 -2.40 0.02 0.00 0.10 0.00 0.00 66.02 63.74 1y3j s SER 2 CO 0.00 -2.60 0.52 -0.44 0.98 0.00 0.00 173.24 171.69 1y3j s SER 3 N -3.20 -0.22 -0.11 7.02 0.01 0.39 -4.98 113.70 112.62 1y3j s SER 3 Ca 0.63 -0.57 0.03 0.00 1.31 0.00 0.00 55.95 57.35 1y3j s SER 3 Cb -0.19 0.58 -0.01 0.00 0.21 0.00 0.00 66.02 66.61 1y3j s SER 3 CO 0.57 -1.08 -0.20 -0.75 0.41 0.00 0.00 173.24 172.20 1y3j s LYS 4 N -3.90 3.12 0.07 12.44 2.20 -1.26 -0.67 119.74 131.74 1y3j s LYS 4 Ca 0.12 -0.80 0.08 0.00 -0.36 0.00 0.00 55.97 55.01 1y3j s LYS 4 Cb -0.01 -2.42 -0.03 0.00 -1.51 0.00 0.00 37.83 33.86 1y3j s LYS 4 CO -0.00 0.22 -0.23 0.00 -0.36 0.00 0.00 175.35 174.98 1y3j s TYR 6 N -0.90 3.58 0.13 0.00 2.02 -1.26 -1.62 117.35 119.30 1y3j s TYR 6 Ca 0.09 0.93 0.09 0.00 -0.37 0.00 0.00 57.07 57.80 1y3j s TYR 6 Cb -0.09 -2.47 -0.04 0.00 -0.40 0.00 0.00 41.96 38.95 1y3j s TYR 6 CO 0.03 0.32 -0.21 0.42 -1.57 0.00 0.00 175.55 174.54 1y3j s ILE 7 N 0.09 1.84 -0.15 2.71 -1.09 0.54 -0.67 121.20 124.47 1y3j s ILE 7 Ca 0.25 -1.71 0.01 0.00 -2.23 0.00 0.00 60.65 56.97 1y3j s ILE 7 Cb -0.16 -1.72 0.00 0.00 -1.58 0.00 0.00 42.46 39.00 1y3j s ILE 7 CO 0.11 -0.13 -0.17 -1.58 -1.23 0.00 0.00 174.94 171.94 1y3j s GLN 8 N -2.25 3.16 0.12 2.79 2.00 0.80 -2.82 119.66 123.46 1y3j s GLN 8 Ca 0.11 -0.78 -0.20 0.00 -2.00 0.00 0.00 55.36 52.49 1y3j s GLN 8 Cb -0.09 -2.58 -0.07 0.00 0.80 0.00 0.00 33.01 31.07 1y3j s GLN 8 CO 0.05 -0.00 0.63 0.14 -0.50 0.00 0.00 175.29 175.61 1y3j s VAL 9 N 0.85 4.66 -0.90 1.34 -7.23 -1.26 -0.52 120.40 117.34 1y3j s VAL 9 Ca -0.05 1.26 -0.08 0.00 -1.81 0.00 0.00 61.98 61.30 1y3j s VAL 9 Cb -0.15 -3.91 0.23 0.00 0.56 0.00 0.00 36.38 33.10 1y3j s VAL 9 CO -0.01 0.45 0.82 0.42 -0.31 0.00 0.00 175.10 176.47 1y3j s THR 10 N -1.23 5.14 0.00 5.32 -4.23 0.27 -4.42 115.64 116.50 1y3j s THR 10 Ca 0.34 -3.15 0.00 0.00 -1.18 0.00 0.00 61.69 57.69 1y3j s THR 10 Cb -0.19 -4.17 0.00 0.00 1.34 0.00 0.00 72.50 69.48 1y3j s THR 10 CO 0.21 -1.07 0.00 0.61 -0.54 0.00 0.00 174.62 173.83 1y3j n GLY 11 N 3.14 -1.97 5.00 3.99 0.00 -1.26 -1.17 105.19 112.92 1y3j n GLY 11 Ca 0.18 0.66 0.00 0.00 0.00 0.00 0.00 46.02 46.86 1y3j n GLY 11 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 173.32 173.19 1y3j n MET 12 N 0.00 0.00 -2.67 1.61 1.56 -1.26 -2.26 117.12 114.10 1y3j n MET 12 Ca 0.00 0.00 -0.08 0.00 -0.27 0.00 0.00 57.70 57.35 1y3j n MET 12 Cb 0.00 0.00 0.04 0.00 2.15 0.00 0.00 33.22 35.41 1y3j n MET 12 CO 0.00 0.00 0.00 2.41 -0.73 0.00 0.00 175.97 177.65 1y3j n THR 13 N 0.00 0.87 -0.02 1.12 -1.04 -1.26 -4.54 114.28 109.41 1y3j n THR 13 Ca 0.00 -2.83 -0.09 0.00 -2.04 0.00 0.00 64.05 59.09 1y3j n THR 13 Cb 0.00 0.75 -0.02 0.00 -1.82 0.00 0.00 70.33 69.23 1y3j n THR 13 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1y3j n ALA 15 N -2.61 0.00 -3.89 0.00 0.00 -1.26 -4.95 120.51 107.80 1y3j n ALA 15 Ca -0.02 0.00 -0.31 0.00 0.00 0.00 0.00 53.44 53.11 1y3j n ALA 15 Cb 0.22 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 19.66 1y3j n ALA 15 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 1y3j n SER 16 N 0.00 -3.78 -0.22 0.00 3.41 -1.26 -4.84 113.62 106.93 1y3j n SER 16 Ca 0.00 -0.77 -0.00 0.00 -0.26 0.00 0.00 58.87 57.84 1y3j n SER 16 Cb 0.00 -3.08 0.11 0.00 -0.26 0.00 0.00 64.21 60.98 1y3j n SER 16 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1y3j h VAL 18 N 0.54 1.42 -0.87 0.00 -1.51 -1.89 0.19 116.25 114.13 1y3j h VAL 18 Ca 0.31 -1.28 0.09 0.00 -1.23 0.00 0.00 66.70 64.59 1y3j h VAL 18 Cb 0.31 2.26 -0.07 0.00 -2.13 0.00 0.00 31.29 31.66 1y3j h VAL 18 CO -0.25 0.34 0.52 0.00 -1.23 0.00 0.00 177.57 176.95 1y3j h ALA 19 N 0.47 1.25 -0.17 5.19 0.00 -1.91 0.20 119.26 124.29 1y3j h ALA 19 Ca 0.00 0.02 0.04 0.00 0.00 0.00 0.00 54.91 54.97 1y3j h ALA 19 Cb 0.56 -0.18 -0.04 0.00 0.00 0.00 0.00 17.79 18.13 1y3j h ALA 19 CO 0.00 0.18 -0.11 -0.97 0.00 0.00 0.00 179.25 178.36 1y3j h ASN 20 N 0.89 -0.35 -0.10 0.00 -1.24 -0.33 -0.29 115.58 114.16 1y3j h ASN 20 Ca 0.41 0.08 0.03 0.00 0.71 0.00 0.00 56.30 57.53 1y3j h ASN 20 Cb 0.33 0.18 -0.03 0.00 0.73 0.00 0.00 38.32 39.53 1y3j h ASN 20 CO -0.23 -0.14 -0.10 0.40 -1.29 0.00 0.00 177.43 176.07 1y3j h ILE 21 N -0.10 0.71 -0.14 2.57 2.04 0.93 0.17 117.51 123.68 1y3j h ILE 21 Ca 0.10 0.00 0.04 0.00 1.00 0.00 0.00 64.86 66.00 1y3j h ILE 21 Cb 0.25 0.71 -0.07 0.00 -0.74 0.00 0.00 36.82 36.97 1y3j h ILE 21 CO -0.24 0.00 -0.42 -0.33 0.00 0.00 0.00 178.15 177.17 1y3j h GLU 22 N -0.13 -0.46 -0.61 2.37 5.08 -0.30 0.27 114.58 120.79 1y3j h GLU 22 Ca 0.07 0.03 0.12 0.00 -1.00 0.00 0.00 59.36 58.58 1y3j h GLU 22 Cb 0.24 0.11 -0.09 0.00 0.50 0.00 0.00 28.75 29.51 1y3j h GLU 22 CO -0.18 -0.31 0.14 0.00 -1.00 0.00 0.00 179.01 177.66 1y3j h ARG 23 N -0.48 0.26 0.40 2.33 2.47 -0.57 -0.38 114.38 118.41 1y3j h ARG 23 Ca 0.08 -0.02 -0.02 0.00 -1.26 0.00 0.00 59.98 58.76 1y3j h ARG 23 Cb 0.62 -0.06 0.00 0.00 -1.65 0.00 0.00 29.97 28.89 1y3j h ARG 23 CO -0.40 0.17 -0.19 -0.91 0.56 0.00 0.00 179.97 179.20 1y3j h ASN 24 N 0.27 -0.45 0.64 7.04 2.35 0.27 -3.25 115.58 122.44 1y3j h ASN 24 Ca 0.32 0.02 -0.10 0.00 -0.55 0.00 0.00 56.30 55.99 1y3j h ASN 24 Cb 0.48 0.12 -0.01 0.00 0.05 0.00 0.00 38.32 38.96 1y3j h ASN 24 CO -0.41 -0.22 -0.47 -0.07 -1.65 0.00 0.00 177.43 174.61 1y3j h LEU 25 N -0.75 0.00 0.00 1.61 4.07 -0.47 -0.24 115.31 119.52 1y3j h LEU 25 Ca -0.05 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.91 1y3j h LEU 25 Cb 0.41 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.15 1y3j h LEU 25 CO 0.09 0.47 0.00 0.54 -1.08 0.00 0.00 178.44 178.46 1y3j n ARG 26 N -3.76 0.51 -0.43 1.13 1.74 -0.16 -0.58 116.66 115.10 1y3j n ARG 26 Ca -0.01 0.00 0.37 0.00 -0.77 0.00 0.00 57.85 57.44 1y3j n ARG 26 Cb 0.53 -1.47 0.62 0.00 -1.02 0.00 0.00 32.46 31.11 1y3j n ARG 26 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 1y3j n ARG 27 N -0.97 -0.03 -2.93 5.56 5.12 -0.10 -4.87 116.66 118.43 1y3j n ARG 27 Ca 0.12 1.14 -0.11 0.00 -1.93 0.00 0.00 57.85 57.07 1y3j n ARG 27 Cb 0.05 -2.26 0.04 0.00 -1.16 0.00 0.00 32.46 29.14 1y3j n ARG 27 CO 0.00 0.00 0.00 0.39 -1.93 0.00 0.00 177.63 176.09 1y3j n GLU 28 N -4.53 -3.74 -0.87 5.56 1.02 0.25 -4.91 120.64 113.42 1y3j n GLU 28 Ca 0.37 0.42 -0.24 0.00 -0.02 0.00 0.00 57.16 57.69 1y3j n GLU 28 Cb 1.43 -4.18 -0.04 0.00 -0.02 0.00 0.00 31.44 28.63 1y3j n GLU 28 CO 0.00 0.00 0.00 -1.91 1.18 0.00 0.00 177.13 176.40 1y3j n GLU 29 N -2.68 2.37 -2.70 3.49 4.07 -1.25 -4.08 120.64 119.85 1y3j n GLU 29 Ca -0.05 -1.52 -0.16 0.00 -0.06 0.00 0.00 57.16 55.38 1y3j n GLU 29 Cb 0.55 -2.44 0.02 0.00 -0.06 0.00 0.00 31.44 29.51 1y3j n GLU 29 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 1y3j n GLY 30 N 3.55 -0.18 3.44 8.31 0.00 -1.26 -4.60 105.19 114.45 1y3j n GLY 30 Ca 0.51 -0.16 -0.33 0.00 0.00 0.00 0.00 46.02 46.04 1y3j n GLY 30 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1y3j s ILE 31 N -2.94 3.09 -0.31 -0.61 1.01 -1.26 -0.81 121.20 119.37 1y3j s ILE 31 Ca 0.18 -0.69 0.19 0.00 0.00 0.00 0.00 60.65 60.33 1y3j s ILE 31 Cb -0.08 -2.25 0.47 0.00 0.01 0.00 0.00 42.46 40.62 1y3j s ILE 31 CO 0.22 0.56 1.01 -1.22 0.00 0.00 0.00 174.94 175.51 1y3j n TYR 32 N 2.81 1.03 -3.64 3.97 4.01 0.69 -4.73 117.16 121.31 1y3j n TYR 32 Ca -0.18 -2.58 -0.05 0.00 -0.16 0.00 0.00 57.90 54.94 1y3j n TYR 32 Cb 0.52 -0.26 -0.07 0.00 -0.31 0.00 0.00 39.34 39.23 1y3j n TYR 32 CO 0.00 0.00 0.00 0.45 -0.46 0.00 0.00 176.86 176.85 1y3j s SER 33 N -3.22 -0.50 0.43 7.72 0.15 -0.85 -4.74 113.70 112.68 1y3j s SER 33 Ca 0.27 0.85 -0.19 0.00 0.70 0.00 0.00 55.95 57.58 1y3j s SER 33 Cb 0.42 1.08 -0.10 0.00 -1.71 0.00 0.00 66.02 65.71 1y3j s SER 33 CO 0.01 -0.14 0.92 0.27 1.20 0.00 0.00 173.24 175.51 1y3j s ILE 34 N 0.95 4.47 -1.51 6.45 -0.00 -1.26 -1.49 121.20 128.81 1y3j s ILE 34 Ca -0.05 1.33 -0.12 0.00 -0.00 0.00 0.00 60.65 61.82 1y3j s ILE 34 Cb -0.04 -3.63 0.00 0.00 -0.00 0.00 0.00 42.46 38.79 1y3j s ILE 34 CO -0.12 -0.38 2.51 0.00 -0.00 0.00 0.00 174.94 176.95 1y3j n LEU 35 N -0.80 7.69 -4.39 0.37 -0.00 -1.24 -4.43 117.00 114.19 1y3j n LEU 35 Ca 0.06 -4.30 -0.32 0.00 -0.00 0.00 0.00 56.01 51.45 1y3j n LEU 35 Cb 0.54 -1.59 -0.14 0.00 -0.00 0.00 0.00 43.42 42.22 1y3j n LEU 35 CO 0.40 1.56 -0.51 -0.69 -0.00 0.00 0.00 177.39 178.15 1y3j s VAL 36 N 2.38 2.54 -0.44 1.47 1.01 -1.26 -3.94 120.40 122.17 1y3j s VAL 36 Ca 0.56 -0.97 0.07 0.00 0.00 0.00 0.00 61.98 61.65 1y3j s VAL 36 Cb 0.16 -1.96 0.33 0.00 0.00 0.00 0.00 36.38 34.91 1y3j s VAL 36 CO -0.07 0.56 1.04 0.00 0.00 0.00 0.00 175.10 176.63 1y3j n ALA 37 N 2.28 -0.16 -1.33 5.51 0.00 0.19 -4.34 120.51 122.66 1y3j n ALA 37 Ca -0.17 -1.86 -0.39 0.00 0.00 0.00 0.00 53.44 51.02 1y3j n ALA 37 Cb 0.52 -1.11 -0.03 0.00 0.00 0.00 0.00 19.45 18.83 1y3j n ALA 37 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 1y3j n LEU 38 N 0.33 8.76 0.02 0.00 0.00 -1.24 -0.92 117.00 123.95 1y3j n LEU 38 Ca 0.10 -4.38 0.00 0.00 0.00 0.00 0.00 56.01 51.73 1y3j n LEU 38 Cb 0.69 -1.56 0.00 0.00 0.00 0.00 0.00 43.42 42.56 1y3j n LEU 38 CO 0.07 2.07 -0.16 0.80 0.00 0.00 0.00 177.39 180.18 1y3j n MET 39 N 3.57 0.00 0.15 1.96 1.56 -1.26 -4.72 117.12 118.39 1y3j n MET 39 Ca 0.78 0.00 0.00 0.00 -0.27 0.00 0.00 57.70 58.22 1y3j n MET 39 Cb 0.23 -0.20 0.28 0.00 2.15 0.00 0.00 33.22 35.68 1y3j n MET 39 CO 0.00 0.00 0.00 0.00 -0.73 0.00 0.00 175.97 175.24 1y3j h ALA 40 N 0.00 1.22 -0.28 -5.12 0.00 -1.96 -3.47 119.26 109.63 1y3j h ALA 40 Ca 0.00 -0.42 0.00 0.00 0.00 0.00 0.00 54.91 54.49 1y3j h ALA 40 Cb 0.31 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.03 1y3j h ALA 40 CO 0.00 0.58 0.00 0.41 0.00 0.00 0.00 179.25 180.24 1y3j n GLY 41 N -0.21 0.72 3.19 0.00 0.00 -0.09 -5.09 105.19 103.71 1y3j n GLY 41 Ca -0.02 -0.11 -0.14 0.00 0.00 0.00 0.00 46.02 45.75 1y3j n GLY 41 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1y3j n LYS 42 N -0.14 0.64 -3.60 1.61 5.02 -0.31 -4.66 118.16 116.73 1y3j n LYS 42 Ca 0.00 -2.71 -0.03 0.00 -2.02 0.00 0.00 58.31 53.55 1y3j n LYS 42 Cb 0.09 2.57 -0.05 0.00 -0.02 0.00 0.00 35.03 37.62 1y3j n LYS 42 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1y3j s ALA 43 N -2.78 -1.77 -0.24 7.82 0.00 -1.13 0.53 121.76 124.19 1y3j s ALA 43 Ca 0.29 2.01 -0.02 0.00 0.00 0.00 0.00 51.96 54.23 1y3j s ALA 43 Cb -0.01 -1.68 0.08 0.00 0.00 0.00 0.00 23.12 21.51 1y3j s ALA 43 CO 0.21 -0.93 0.05 -1.83 0.00 0.00 0.00 175.76 173.26 1y3j s GLU 44 N 2.80 0.75 0.05 0.00 -1.05 -1.25 -0.34 118.70 119.66 1y3j s GLU 44 Ca -0.02 -0.72 -0.28 0.00 -0.15 0.00 0.00 54.97 53.81 1y3j s GLU 44 Cb -0.12 -2.07 -0.05 0.00 -0.44 0.00 0.00 34.13 31.45 1y3j s GLU 44 CO -0.17 -0.78 0.87 0.54 0.95 0.00 0.00 175.26 176.67 1y3j s VAL 45 N 1.74 4.71 -0.17 1.83 0.11 -0.64 -3.64 120.40 124.34 1y3j s VAL 45 Ca 0.03 1.85 -0.03 0.00 -2.93 0.00 0.00 61.98 60.89 1y3j s VAL 45 Cb -0.17 -4.22 -0.02 0.00 -1.53 0.00 0.00 36.38 30.44 1y3j s VAL 45 CO -0.15 0.30 -0.04 -0.60 -3.33 0.00 0.00 175.10 171.27 1y3j s ARG 46 N 0.27 3.57 0.26 1.54 3.52 -0.56 -0.82 118.95 126.73 1y3j s ARG 46 Ca 0.44 -0.56 -0.18 0.00 -0.13 0.00 0.00 55.73 55.29 1y3j s ARG 46 Cb -0.21 -2.93 0.02 0.00 -1.56 0.00 0.00 34.95 30.27 1y3j s ARG 46 CO 0.26 0.11 0.63 1.52 -0.81 0.00 0.00 175.30 177.01 1y3j s TYR 47 N 0.69 -0.03 -0.43 5.12 1.13 0.16 -0.22 117.35 123.77 1y3j s TYR 47 Ca -0.02 -0.38 -0.01 0.00 -1.41 0.00 0.00 57.07 55.24 1y3j s TYR 47 Cb -0.15 0.53 0.12 0.00 -1.10 0.00 0.00 41.96 41.36 1y3j s TYR 47 CO 0.02 -1.13 0.22 0.54 -2.51 0.00 0.00 175.55 172.69 1y3j s ASN 48 N -2.94 5.13 -1.17 -0.18 4.22 0.01 -0.46 114.94 119.56 1y3j s ASN 48 Ca 0.14 -2.22 -0.23 0.00 -2.14 0.00 0.00 52.86 48.42 1y3j s ASN 48 Cb -0.04 -1.79 -0.10 0.00 1.28 0.00 0.00 41.25 40.60 1y3j s ASN 48 CO 0.06 -0.48 1.94 -0.81 -2.04 0.00 0.00 177.10 175.77 1y3j n PRO 49 N 4.31 1.55 0.11 3.55 -0.04 -1.26 -3.29 135.00 139.94 1y3j n PRO 49 Ca 0.01 -2.42 0.00 0.00 -0.04 0.00 0.00 63.50 61.05 1y3j n PRO 49 Cb 0.40 -3.70 0.00 0.00 -0.04 0.00 0.00 33.50 30.16 1y3j n PRO 49 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1y3j n ALA 50 N 14.29 2.45 0.29 0.55 0.00 -1.26 -4.89 120.51 131.95 1y3j n ALA 50 Ca 0.45 0.00 -0.15 0.00 0.00 0.00 0.00 53.44 53.74 1y3j n ALA 50 Cb 0.46 0.00 -0.08 0.00 0.00 0.00 0.00 19.45 19.84 1y3j n ALA 50 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1y3j h VAL 51 N 0.00 0.00 0.00 0.00 2.07 -1.95 -3.43 116.25 112.95 1y3j h VAL 51 Ca 0.00 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.52 1y3j h VAL 51 Cb 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 29.77 1y3j h VAL 51 CO 0.00 0.00 0.00 0.00 0.02 0.00 0.00 177.57 177.59 1y3j n ILE 52 N -4.79 0.00 0.00 4.57 0.13 -1.24 -5.06 119.36 112.96 1y3j n ILE 52 Ca -0.11 0.13 0.00 0.00 -1.10 0.00 0.00 62.75 61.67 1y3j n ILE 52 Cb 0.38 -0.73 0.00 0.00 -0.84 0.00 0.00 39.64 38.45 1y3j n ILE 52 CO 0.00 0.00 0.00 0.00 2.80 0.00 0.00 176.55 179.35 1y3j n GLN 53 N -1.28 0.00 -0.23 9.51 3.00 -1.26 -4.42 117.38 122.69 1y3j n GLN 53 Ca 0.00 0.00 0.03 0.00 -0.01 0.00 0.00 57.00 57.02 1y3j n GLN 53 Cb 0.00 0.00 0.13 0.00 0.00 0.00 0.00 30.24 30.37 1y3j n GLN 53 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.06 175.71 1y3j h PRO 54 N 0.00 0.12 -0.06 -1.09 0.11 -1.98 0.17 132.00 129.26 1y3j h PRO 54 Ca 0.00 -0.01 0.02 0.00 0.11 0.00 0.00 66.00 66.12 1y3j h PRO 54 Cb 0.00 -0.03 -0.05 0.00 0.11 0.00 0.00 31.00 31.04 1y3j h PRO 54 CO 0.00 0.08 -0.43 -1.00 -0.21 0.00 0.00 178.00 176.44 1y3j h PRO 55 N 0.12 -0.47 -0.59 1.05 0.13 -2.00 -2.80 132.00 127.44 1y3j h PRO 55 Ca 0.37 0.03 0.09 0.00 -0.87 0.00 0.00 66.00 65.62 1y3j h PRO 55 Cb 0.63 0.11 -0.07 0.00 0.13 0.00 0.00 31.00 31.79 1y3j h PRO 55 CO -0.59 -0.32 0.21 1.98 -0.23 0.00 0.00 178.00 179.05 1y3j h MET 56 N -0.49 0.38 -0.26 0.86 4.05 -1.24 0.10 114.93 118.33 1y3j h MET 56 Ca 0.02 -0.02 0.05 0.00 -0.28 0.00 0.00 59.70 59.47 1y3j h MET 56 Cb 0.55 -0.09 -0.05 0.00 -0.80 0.00 0.00 31.60 31.22 1y3j h MET 56 CO -0.32 0.25 -0.07 -0.84 0.23 0.00 0.00 176.91 176.16 1y3j h ILE 57 N 0.39 0.72 -0.07 1.77 3.07 -0.79 0.26 117.51 122.86 1y3j h ILE 57 Ca 0.30 0.00 0.03 0.00 1.55 0.00 0.00 64.86 66.74 1y3j h ILE 57 Cb 0.36 0.72 -0.04 0.00 -0.27 0.00 0.00 36.82 37.60 1y3j h ILE 57 CO -0.30 0.00 -0.15 0.00 -1.05 0.00 0.00 178.15 176.64 1y3j h ALA 58 N 1.25 -0.12 0.83 0.16 0.00 -0.90 -2.20 119.26 118.28 1y3j h ALA 58 Ca 0.13 0.03 -0.04 0.00 0.00 0.00 0.00 54.91 55.03 1y3j h ALA 58 Cb 0.20 0.29 0.01 0.00 0.00 0.00 0.00 17.79 18.29 1y3j h ALA 58 CO -0.28 -0.62 -0.40 0.93 0.00 0.00 0.00 179.25 178.88 1y3j h GLU 59 N -0.22 -1.07 -1.00 0.00 4.39 -0.72 -1.52 114.58 114.45 1y3j h GLU 59 Ca 0.07 0.07 0.25 0.00 0.34 0.00 0.00 59.36 60.10 1y3j h GLU 59 Cb 0.32 0.24 -0.08 0.00 -0.10 0.00 0.00 28.75 29.14 1y3j h GLU 59 CO -0.20 -0.71 0.66 0.35 -1.16 0.00 0.00 179.01 177.95 1y3j h PHE 60 N -1.16 0.55 0.57 4.33 3.57 -0.46 0.27 116.94 124.60 1y3j h PHE 60 Ca -0.11 0.02 -0.03 0.00 3.53 0.00 0.00 57.97 61.38 1y3j h PHE 60 Cb 0.86 -0.16 0.01 0.00 2.79 0.00 0.00 35.95 39.44 1y3j h PHE 60 CO -0.01 0.09 -0.27 0.82 -2.23 0.00 0.00 178.31 176.70 1y3j h ILE 61 N 0.36 0.00 -0.81 1.41 2.04 -1.23 -3.34 117.51 115.94 1y3j h ILE 61 Ca 0.54 -0.16 0.16 0.00 1.00 0.00 0.00 64.86 66.40 1y3j h ILE 61 Cb 1.44 0.00 -0.10 0.00 -0.74 0.00 0.00 36.82 37.42 1y3j h ILE 61 CO -0.22 0.00 0.35 0.03 0.00 0.00 0.00 178.15 178.31 1y3j h ARG 62 N -0.93 0.47 -1.27 2.37 3.08 0.44 -0.46 114.38 118.08 1y3j h ARG 62 Ca -0.08 -0.03 0.37 0.00 0.07 0.00 0.00 59.98 60.31 1y3j h ARG 62 Cb 0.59 -0.11 -0.08 0.00 0.08 0.00 0.00 29.97 30.45 1y3j h ARG 62 CO 0.13 0.31 0.87 0.93 -1.07 0.00 0.00 179.97 181.14 1y3j h GLU 63 N 0.48 0.13 0.00 0.04 5.08 -0.83 0.11 114.58 119.59 1y3j h GLU 63 Ca 0.46 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.81 1y3j h GLU 63 Cb 0.72 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.94 1y3j h GLU 63 CO -0.42 0.08 -0.20 -0.07 -1.00 0.00 0.00 179.01 177.40 1y3j h LEU 64 N 0.13 0.00 0.00 1.33 3.38 -1.20 -3.48 115.31 115.47 1y3j h LEU 64 Ca 0.67 -0.03 0.00 0.00 0.09 0.00 0.00 57.88 58.61 1y3j h LEU 64 Cb 2.30 0.00 0.00 0.00 0.09 0.00 0.00 40.66 43.05 1y3j h LEU 64 CO -0.18 0.02 0.00 0.61 0.09 0.00 0.00 178.44 178.98 1y3j n GLY 65 N 1.23 2.20 3.73 0.83 0.00 0.38 -5.08 105.19 108.47 1y3j n GLY 65 Ca 0.04 -0.59 -0.40 0.00 0.00 0.00 0.00 46.02 45.07 1y3j n GLY 65 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1y3j s PHE 66 N -0.35 3.66 0.50 1.61 -0.71 -1.26 -4.99 117.98 116.44 1y3j s PHE 66 Ca 0.00 1.44 -0.04 0.00 -1.04 0.00 0.00 56.93 57.29 1y3j s PHE 66 Cb 0.00 -2.89 -0.02 0.00 -1.21 0.00 0.00 43.02 38.90 1y3j s PHE 66 CO 0.00 0.13 0.78 0.20 -1.34 0.00 0.00 175.22 175.00 1y3j s GLY 67 N 0.52 1.53 0.01 1.99 0.00 -0.31 -3.72 107.32 107.34 1y3j s GLY 67 Ca 0.41 -0.67 0.01 0.00 0.00 0.00 0.00 44.72 44.47 1y3j s GLY 67 CO 0.22 -0.48 -0.04 0.00 0.00 0.00 0.00 173.10 172.80 1y3j s ALA 68 N -2.76 0.32 -0.08 3.20 0.00 -1.26 -0.56 121.76 120.63 1y3j s ALA 68 Ca 0.49 -0.37 0.01 0.00 0.00 0.00 0.00 51.96 52.09 1y3j s ALA 68 Cb -0.10 -0.01 0.02 0.00 0.00 0.00 0.00 23.12 23.03 1y3j s ALA 68 CO 0.43 0.01 -0.10 0.95 0.00 0.00 0.00 175.76 177.05 1y3j s THR 69 N -0.63 1.04 -0.29 0.00 -4.23 0.32 -4.93 115.64 106.93 1y3j s THR 69 Ca -0.04 -0.39 -0.25 0.00 -1.18 0.00 0.00 61.69 59.83 1y3j s THR 69 Cb -0.05 -0.99 0.00 0.00 1.34 0.00 0.00 72.50 72.80 1y3j s THR 69 CO -0.00 0.35 0.86 -0.69 -0.54 0.00 0.00 174.62 174.60 1y3j s VAL 70 N 1.00 4.75 -0.40 2.29 1.01 -1.26 -0.14 120.40 127.65 1y3j s VAL 70 Ca -0.08 1.44 0.08 0.00 0.00 0.00 0.00 61.98 63.42 1y3j s VAL 70 Cb -0.15 -4.19 0.26 0.00 0.00 0.00 0.00 36.38 32.30 1y3j s VAL 70 CO -0.00 -0.23 0.58 -0.38 0.00 0.00 0.00 175.10 175.07 1y3j n ILE 71 N 5.50 -0.57 0.05 2.22 5.41 0.16 -4.95 119.36 127.18 1y3j n ILE 71 Ca 0.06 -3.83 -0.13 0.00 1.00 0.00 0.00 62.75 59.85 1y3j n ILE 71 Cb 0.48 -1.43 -0.07 0.00 -0.71 0.00 0.00 39.64 37.90 1y3j n ILE 71 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 176.55 176.47 1y3j h GLU 72 N 3.88 -0.55 -5.03 0.38 4.22 -1.83 -3.39 114.58 112.25 1y3j h GLU 72 Ca 0.05 0.04 -0.35 0.00 0.08 0.00 0.00 59.36 59.18 1y3j h GLU 72 Cb 0.91 0.13 -0.14 0.00 0.50 0.00 0.00 28.75 30.14 1y3j h GLU 72 CO 0.45 -0.37 -0.67 -0.80 -2.18 0.00 0.00 179.01 175.44 1y3j s ASN 73 N -4.80 1.71 -0.03 1.04 0.01 -1.26 -4.43 114.94 107.18 1y3j s ASN 73 Ca -0.16 -1.15 0.03 0.00 -0.71 0.00 0.00 52.86 50.87 1y3j s ASN 73 Cb 0.08 0.02 0.00 0.00 0.41 0.00 0.00 41.25 41.77 1y3j s ASN 73 CO 0.63 -0.47 -0.11 -0.63 -1.51 0.00 0.00 177.10 175.02 1y3j s ILE 74 N -3.44 0.93 0.50 0.60 1.09 -1.26 -5.15 121.20 114.48 1y3j s ILE 74 Ca 0.24 -0.42 -0.16 0.00 -1.10 0.00 0.00 60.65 59.21 1y3j s ILE 74 Cb 0.05 -0.83 -0.08 0.00 -1.06 0.00 0.00 42.46 40.54 1y3j s ILE 74 CO 0.05 0.29 0.96 -0.70 -0.10 0.00 0.00 174.94 175.44 1y3j s GLU 75 N 0.27 3.92 0.12 2.79 2.12 -1.26 -5.09 118.70 121.57 1y3j s GLU 75 Ca -0.05 0.89 0.06 0.00 0.36 0.00 0.00 54.97 56.24 1y3j s GLU 75 Cb -0.10 -2.17 -0.04 0.00 0.26 0.00 0.00 34.13 32.08 1y3j s GLU 75 CO 0.01 -0.25 -0.04 0.20 -0.54 0.00 0.00 175.26 174.64 1y3j s GLY 76 N -3.09 1.82 0.00 -1.50 0.00 -1.26 -5.32 107.32 97.97 1y3j s GLY 76 Ca 0.58 -1.23 0.00 0.00 0.00 0.00 0.00 44.72 44.06 1y3j s GLY 76 CO 0.32 -1.22 0.00 -2.13 0.00 0.00 0.00 173.10 170.06