#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1y3j n SER 2 N 0.00 -1.99 -4.97 6.41 3.41 -1.25 -4.49 113.62 110.74 1y3j n SER 2 Ca 0.00 -3.10 -0.19 0.00 -0.26 0.00 0.00 58.87 55.32 1y3j n SER 2 Cb 0.00 1.66 0.04 0.00 -0.26 0.00 0.00 64.21 65.65 1y3j n SER 2 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 1y3j s SER 3 N -0.94 5.31 0.09 4.04 1.04 -0.53 -4.74 113.70 117.96 1y3j s SER 3 Ca 0.21 -0.38 0.04 0.00 0.48 0.00 0.00 55.95 56.30 1y3j s SER 3 Cb 0.29 -0.47 -0.03 0.00 0.10 0.00 0.00 66.02 65.91 1y3j s SER 3 CO -0.09 -1.09 -0.12 -0.75 0.98 0.00 0.00 173.24 172.17 1y3j s LYS 4 N -4.60 0.85 0.05 4.02 2.36 -1.26 -0.47 119.74 120.68 1y3j s LYS 4 Ca 0.58 -1.10 -0.09 0.00 -2.55 0.00 0.00 55.97 52.81 1y3j s LYS 4 Cb -0.09 -0.66 0.00 0.00 -1.05 0.00 0.00 37.83 36.04 1y3j s LYS 4 CO 0.37 0.12 0.20 0.00 1.55 0.00 0.00 175.35 177.58 1y3j s TYR 6 N -2.80 3.59 -0.03 0.00 1.51 -1.26 -0.56 117.35 117.79 1y3j s TYR 6 Ca -0.03 0.65 -0.01 0.00 -1.01 0.00 0.00 57.07 56.66 1y3j s TYR 6 Cb 0.00 -2.14 0.03 0.00 -0.11 0.00 0.00 41.96 39.74 1y3j s TYR 6 CO -0.05 0.56 0.05 0.42 -1.11 0.00 0.00 175.55 175.42 1y3j s ILE 7 N -0.58 -0.09 0.64 2.71 -1.09 0.14 -0.63 121.20 122.30 1y3j s ILE 7 Ca 0.17 0.35 -0.12 0.00 -2.23 0.00 0.00 60.65 58.83 1y3j s ILE 7 Cb -0.13 -0.13 -0.03 0.00 -1.58 0.00 0.00 42.46 40.59 1y3j s ILE 7 CO 0.06 0.15 1.04 -1.10 -1.23 0.00 0.00 174.94 173.86 1y3j s GLN 8 N 1.78 3.37 -0.00 2.79 -1.52 0.44 0.01 119.66 126.53 1y3j s GLN 8 Ca 0.00 0.86 0.01 0.00 -1.95 0.00 0.00 55.36 54.28 1y3j s GLN 8 Cb -0.12 -2.05 -0.00 0.00 -0.22 0.00 0.00 33.01 30.62 1y3j s GLN 8 CO -0.03 -0.75 -0.03 0.54 -0.25 0.00 0.00 175.29 174.77 1y3j s VAL 9 N -3.06 0.21 -1.31 1.09 0.11 -1.26 -3.43 120.40 112.75 1y3j s VAL 9 Ca 0.57 -0.11 -0.12 0.00 -2.93 0.00 0.00 61.98 59.39 1y3j s VAL 9 Cb -0.12 -0.19 -0.06 0.00 -1.53 0.00 0.00 36.38 34.48 1y3j s VAL 9 CO 0.52 0.06 2.45 0.41 -3.33 0.00 0.00 175.10 175.21 1y3j n THR 10 N 3.04 3.34 0.23 5.04 -1.04 -1.26 -3.41 114.28 120.22 1y3j n THR 10 Ca -0.13 -2.30 0.00 0.00 -2.04 0.00 0.00 64.05 59.58 1y3j n THR 10 Cb 0.59 -2.47 0.00 0.00 -1.82 0.00 0.00 70.33 66.63 1y3j n THR 10 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1y3j n GLY 11 N 3.88 -1.80 2.18 3.41 0.00 -1.26 -4.91 105.19 106.69 1y3j n GLY 11 Ca 0.60 0.38 -0.15 0.00 0.00 0.00 0.00 46.02 46.85 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 -3.43 -1.39 0.00 1.61 0.00 -1.22 -4.38 117.12 108.32 1y3j n MET 12 Ca 0.00 0.88 0.00 0.00 0.00 0.00 0.00 57.70 58.58 1y3j n MET 12 Cb 0.00 -5.19 0.00 0.00 0.00 0.00 0.00 33.22 28.03 1y3j n MET 12 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 175.97 178.38 1y3j n THR 13 N -2.13 0.00 -1.72 1.12 -1.04 -1.26 -5.00 114.28 104.25 1y3j n THR 13 Ca -0.15 0.00 -0.42 0.00 -2.04 0.00 0.00 64.05 61.43 1y3j n THR 13 Cb 0.51 0.00 -0.02 0.00 -1.82 0.00 0.00 70.33 68.99 1y3j n THR 13 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1y3j h ALA 15 N 5.55 2.47 -1.00 0.00 0.00 -2.00 0.14 119.26 124.42 1y3j h ALA 15 Ca -0.45 -0.01 0.15 0.00 0.00 0.00 0.00 54.91 54.59 1y3j h ALA 15 Cb 1.22 0.02 -0.09 0.00 0.00 0.00 0.00 17.79 18.94 1y3j h ALA 15 CO 0.86 -0.67 0.62 0.77 0.00 0.00 0.00 179.25 180.83 1y3j h SER 16 N 0.13 0.85 -0.76 0.00 0.02 -2.00 -3.42 113.55 108.36 1y3j h SER 16 Ca 0.34 0.07 0.09 0.00 -0.84 0.00 0.00 61.79 61.44 1y3j h SER 16 Cb 1.15 -0.10 -0.10 0.00 0.14 0.00 0.00 62.40 63.49 1y3j h SER 16 CO -0.04 0.39 -0.39 0.00 -1.14 0.00 0.00 176.83 175.65 1y3j h VAL 18 N 0.00 1.09 -0.67 0.00 3.04 -1.83 0.73 116.25 118.61 1y3j h VAL 18 Ca 0.18 -0.33 0.09 0.00 -1.01 0.00 0.00 66.70 65.62 1y3j h VAL 18 Cb 0.37 1.32 -0.07 0.00 -2.01 0.00 0.00 31.29 30.90 1y3j h VAL 18 CO -0.73 0.09 0.32 0.00 -1.01 0.00 0.00 177.57 176.23 1y3j h ALA 19 N 0.81 0.91 0.47 3.17 0.00 -0.17 0.14 119.26 124.60 1y3j h ALA 19 Ca -0.00 0.06 -0.01 0.00 0.00 0.00 0.00 54.91 54.95 1y3j h ALA 19 Cb 0.16 -0.02 -0.03 0.00 0.00 0.00 0.00 17.79 17.90 1y3j h ALA 19 CO 0.00 -0.08 -0.51 -0.97 0.00 0.00 0.00 179.25 177.69 1y3j h ASN 20 N 0.55 -1.42 -0.73 0.00 -1.24 -0.18 0.24 115.58 112.79 1y3j h ASN 20 Ca 0.33 0.12 -0.01 0.00 0.71 0.00 0.00 56.30 57.45 1y3j h ASN 20 Cb 0.36 0.48 -0.03 0.00 0.73 0.00 0.00 38.32 39.85 1y3j h ASN 20 CO -0.27 -0.67 0.43 0.40 -1.29 0.00 0.00 177.43 176.03 1y3j h ILE 21 N -1.00 1.21 0.00 2.57 2.04 -0.31 0.26 117.51 122.28 1y3j h ILE 21 Ca -0.06 -0.49 -0.00 0.00 1.00 0.00 0.00 64.86 65.31 1y3j h ILE 21 Cb 0.87 0.22 -0.00 0.00 -0.74 0.00 0.00 36.82 37.17 1y3j h ILE 21 CO -0.09 0.22 -0.02 -0.33 0.00 0.00 0.00 178.15 177.94 1y3j h GLU 22 N 1.00 0.00 -0.14 2.37 5.08 -0.63 0.49 114.58 122.75 1y3j h GLU 22 Ca 0.26 0.00 -0.17 0.00 -1.00 0.00 0.00 59.36 58.45 1y3j h GLU 22 Cb -0.01 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.24 1y3j h GLU 22 CO -0.05 0.02 -0.57 0.00 -1.00 0.00 0.00 179.01 177.41 1y3j h ARG 23 N 0.00 0.63 -0.01 2.33 2.47 0.89 -3.40 114.38 117.29 1y3j h ARG 23 Ca -0.00 -0.49 -0.01 0.00 -1.26 0.00 0.00 59.98 58.22 1y3j h ARG 23 Cb 0.06 0.10 -0.00 0.00 -1.65 0.00 0.00 29.97 28.48 1y3j h ARG 23 CO 0.00 1.12 -0.01 -2.95 0.56 0.00 0.00 179.97 178.68 1y3j h ASN 24 N 0.29 0.03 0.10 7.04 -0.00 0.32 -3.38 115.58 119.98 1y3j h ASN 24 Ca -0.03 -0.55 -0.00 0.00 -0.00 0.00 0.00 56.30 55.72 1y3j h ASN 24 Cb 1.21 -0.01 0.00 0.00 -0.00 0.00 0.00 38.32 39.52 1y3j h ASN 24 CO 0.12 0.57 -0.05 -0.07 -0.00 0.00 0.00 177.43 178.00 1y3j h LEU 25 N -0.51 -0.11 0.00 6.14 4.07 -1.51 -3.42 115.31 119.97 1y3j h LEU 25 Ca 0.00 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.96 1y3j h LEU 25 Cb 0.56 0.03 0.00 0.00 1.08 0.00 0.00 40.66 42.33 1y3j h LEU 25 CO 0.00 0.37 0.96 -2.11 -1.08 0.00 0.00 178.44 176.59 1y3j n ARG 26 N -4.85 0.03 0.06 1.13 1.85 -1.26 -3.38 116.66 110.25 1y3j n ARG 26 Ca -0.02 0.91 -0.13 0.00 -1.00 0.00 0.00 57.85 57.61 1y3j n ARG 26 Cb 0.05 -2.48 -0.09 0.00 -1.05 0.00 0.00 32.46 28.89 1y3j n ARG 26 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 1y3j h ARG 27 N 0.00 -0.16 0.00 2.89 3.08 -1.81 -3.48 114.38 114.90 1y3j h ARG 27 Ca 0.00 0.01 0.00 0.00 0.07 0.00 0.00 59.98 60.06 1y3j h ARG 27 Cb 1.93 0.04 0.00 0.00 0.08 0.00 0.00 29.97 32.01 1y3j h ARG 27 CO 0.00 0.18 0.00 -0.85 -1.07 0.00 0.00 179.97 178.23 1y3j n GLU 28 N -5.00 0.00 -0.01 0.04 0.28 -1.22 -5.04 120.64 109.70 1y3j n GLU 28 Ca -0.09 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 56.91 1y3j n GLU 28 Cb 0.22 0.00 0.00 0.00 1.43 0.00 0.00 31.44 33.09 1y3j n GLU 28 CO 0.00 0.00 0.00 0.39 -0.16 0.00 0.00 177.13 177.36 1y3j n GLU 29 N -0.57 0.00 -3.73 3.44 1.02 -1.26 -4.72 120.64 114.82 1y3j n GLU 29 Ca 0.00 0.00 -0.25 0.00 -0.02 0.00 0.00 57.16 56.89 1y3j n GLU 29 Cb 0.00 -0.01 0.05 0.00 -0.02 0.00 0.00 31.44 31.46 1y3j n GLU 29 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1y3j n GLY 30 N -0.00 -0.47 3.73 0.62 0.00 -1.26 -4.68 105.19 103.13 1y3j n GLY 30 Ca 0.00 0.20 -0.41 0.00 0.00 0.00 0.00 46.02 45.81 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 -3.37 4.11 -0.20 -0.61 1.09 -1.26 -0.29 121.20 120.67 1y3j s ILE 31 Ca 0.47 1.79 0.23 0.00 -1.10 0.00 0.00 60.65 62.04 1y3j s ILE 31 Cb -0.22 -4.14 0.48 0.00 -1.06 0.00 0.00 42.46 37.51 1y3j s ILE 31 CO 0.78 0.29 1.15 -1.22 -0.10 0.00 0.00 174.94 175.84 1y3j n TYR 32 N 2.56 0.75 -3.53 3.97 4.02 0.60 -4.86 117.16 120.66 1y3j n TYR 32 Ca 0.03 -1.71 -0.11 0.00 -0.01 0.00 0.00 57.90 56.09 1y3j n TYR 32 Cb 0.47 -0.09 -0.04 0.00 -0.02 0.00 0.00 39.34 39.67 1y3j n TYR 32 CO 0.00 0.00 0.00 -1.12 -1.01 0.00 0.00 176.86 174.73 1y3j s SER 33 N -3.18 -0.42 -0.12 7.72 0.01 -0.37 -4.69 113.70 112.65 1y3j s SER 33 Ca 0.27 0.27 -0.10 0.00 1.31 0.00 0.00 55.95 57.70 1y3j s SER 33 Cb 0.34 0.39 -0.05 0.00 0.21 0.00 0.00 66.02 66.91 1y3j s SER 33 CO -0.07 -0.52 0.21 -0.51 0.41 0.00 0.00 173.24 172.75 1y3j s ILE 34 N -2.04 5.38 0.34 1.44 -1.16 -1.26 -2.89 121.20 121.00 1y3j s ILE 34 Ca -0.00 0.36 -0.13 0.00 -0.51 0.00 0.00 60.65 60.36 1y3j s ILE 34 Cb -0.01 -3.50 0.03 0.00 0.61 0.00 0.00 42.46 39.59 1y3j s ILE 34 CO -0.02 0.54 0.66 -1.48 -2.81 0.00 0.00 174.94 171.84 1y3j s LEU 35 N -0.55 0.22 -0.29 8.50 0.05 -1.26 -4.99 118.68 120.36 1y3j s LEU 35 Ca 0.15 -1.09 -0.07 0.00 0.05 0.00 0.00 54.13 53.17 1y3j s LEU 35 Cb -0.13 2.37 0.14 0.00 -2.05 0.00 0.00 46.19 46.52 1y3j s LEU 35 CO 0.04 -1.46 0.60 -0.69 -0.55 0.00 0.00 176.35 174.29 1y3j s VAL 36 N -3.02 -0.95 -1.43 1.48 1.01 -1.26 -3.40 120.40 112.84 1y3j s VAL 36 Ca 0.19 0.02 -0.11 0.00 0.00 0.00 0.00 61.98 62.08 1y3j s VAL 36 Cb -0.04 -0.96 -0.06 0.00 0.00 0.00 0.00 36.38 35.33 1y3j s VAL 36 CO 0.12 0.00 2.61 0.00 0.00 0.00 0.00 175.10 177.84 1y3j n ALA 37 N 5.44 6.45 0.07 5.51 0.00 -1.06 -4.71 120.51 132.20 1y3j n ALA 37 Ca -0.09 -3.33 0.01 0.00 0.00 0.00 0.00 53.44 50.04 1y3j n ALA 37 Cb 0.50 -3.36 0.34 0.00 0.00 0.00 0.00 19.45 16.93 1y3j n ALA 37 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 1y3j h LEU 38 N 8.21 0.32 -1.44 0.00 6.46 -1.96 0.14 115.31 127.05 1y3j h LEU 38 Ca 0.73 -0.07 0.12 0.00 -0.12 0.00 0.00 57.88 58.54 1y3j h LEU 38 Cb 0.35 -0.09 -0.05 0.00 -0.73 0.00 0.00 40.66 40.14 1y3j h LEU 38 CO 1.76 0.47 0.51 -0.03 -0.62 0.00 0.00 178.44 180.54 1y3j h MET 39 N 0.32 0.57 0.00 1.25 4.05 -1.91 -0.01 114.93 119.19 1y3j h MET 39 Ca 0.06 -0.03 -0.02 0.00 -0.28 0.00 0.00 59.70 59.43 1y3j h MET 39 Cb 0.40 -0.13 -0.00 0.00 -0.80 0.00 0.00 31.60 31.07 1y3j h MET 39 CO 0.02 0.38 -0.77 0.00 0.23 0.00 0.00 176.91 176.77 1y3j h ALA 40 N 1.62 0.65 -2.35 0.39 0.00 -1.22 -3.48 119.26 114.87 1y3j h ALA 40 Ca 0.38 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 55.18 1y3j h ALA 40 Cb 0.65 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.47 1y3j h ALA 40 CO -0.14 0.13 0.00 0.41 0.00 0.00 0.00 179.25 179.64 1y3j n GLY 41 N 1.18 0.92 3.72 0.00 0.00 0.03 -5.09 105.19 105.95 1y3j n GLY 41 Ca 0.00 -0.40 -0.06 0.00 0.00 0.00 0.00 46.02 45.56 1y3j n GLY 41 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1y3j s LYS 42 N -2.78 1.33 0.36 1.61 -2.85 -1.20 -4.76 119.74 111.45 1y3j s LYS 42 Ca 0.00 -0.69 -0.25 0.00 -1.00 0.00 0.00 55.97 54.03 1y3j s LYS 42 Cb 0.00 0.49 -0.10 0.00 -2.06 0.00 0.00 37.83 36.16 1y3j s LYS 42 CO 0.00 -0.61 0.99 0.00 0.10 0.00 0.00 175.35 175.84 1y3j s ALA 43 N -3.51 3.16 0.48 0.59 0.00 0.10 -2.57 121.76 120.01 1y3j s ALA 43 Ca 0.10 0.60 0.02 0.00 0.00 0.00 0.00 51.96 52.68 1y3j s ALA 43 Cb -0.03 -3.22 0.01 0.00 0.00 0.00 0.00 23.12 19.88 1y3j s ALA 43 CO 0.01 0.00 0.69 -1.21 0.00 0.00 0.00 175.76 175.24 1y3j s GLU 44 N -2.30 2.82 0.00 0.00 2.02 -1.22 -0.69 118.70 119.34 1y3j s GLU 44 Ca 0.54 -0.74 0.02 0.00 0.02 0.00 0.00 54.97 54.81 1y3j s GLU 44 Cb -0.20 -2.57 -0.01 0.00 0.10 0.00 0.00 34.13 31.45 1y3j s GLU 44 CO 0.25 -0.43 -0.07 0.54 0.02 0.00 0.00 175.26 175.57 1y3j s VAL 45 N -2.59 0.55 -0.14 2.63 0.11 0.28 -4.38 120.40 116.87 1y3j s VAL 45 Ca 0.53 -0.43 -0.01 0.00 -2.93 0.00 0.00 61.98 59.14 1y3j s VAL 45 Cb -0.10 -0.49 -0.02 0.00 -1.53 0.00 0.00 36.38 34.24 1y3j s VAL 45 CO 0.37 0.07 -0.12 -0.60 -3.33 0.00 0.00 175.10 171.49 1y3j s ARG 46 N -0.41 3.41 0.30 1.54 3.52 -1.14 -0.76 118.95 125.42 1y3j s ARG 46 Ca 0.01 -0.67 -0.17 0.00 -0.13 0.00 0.00 55.73 54.77 1y3j s ARG 46 Cb -0.04 -2.68 0.02 0.00 -1.56 0.00 0.00 34.95 30.69 1y3j s ARG 46 CO -0.00 0.19 0.66 1.52 -0.81 0.00 0.00 175.30 176.86 1y3j s TYR 47 N 0.43 0.08 -0.72 5.12 1.13 0.38 -0.29 117.35 123.47 1y3j s TYR 47 Ca -0.09 -0.54 -0.05 0.00 -1.41 0.00 0.00 57.07 54.97 1y3j s TYR 47 Cb -0.16 0.56 0.19 0.00 -1.10 0.00 0.00 41.96 41.45 1y3j s TYR 47 CO 0.05 -1.24 0.58 1.21 -2.51 0.00 0.00 175.55 173.64 1y3j s ASN 48 N -2.99 5.72 -1.14 -0.18 3.84 0.60 -1.46 114.94 119.32 1y3j s ASN 48 Ca 0.16 -2.98 -0.24 0.00 0.21 0.00 0.00 52.86 50.02 1y3j s ASN 48 Cb -0.04 -1.95 -0.13 0.00 -0.55 0.00 0.00 41.25 38.58 1y3j s ASN 48 CO 0.09 -0.38 1.97 -0.81 -2.79 0.00 0.00 177.10 175.18 1y3j n PRO 49 N 3.39 1.27 0.00 0.43 -0.04 -1.26 -2.19 135.00 136.60 1y3j n PRO 49 Ca 0.12 -2.28 0.00 0.00 -0.04 0.00 0.00 63.50 61.30 1y3j n PRO 49 Cb 0.40 -3.74 0.00 0.00 -0.04 0.00 0.00 33.50 30.12 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 15.28 0.00 -0.02 0.55 0.00 -1.26 -4.88 120.51 130.19 1y3j n ALA 50 Ca 0.44 0.00 -0.13 0.00 0.00 0.00 0.00 53.44 53.75 1y3j n ALA 50 Cb 0.46 0.00 -0.10 0.00 0.00 0.00 0.00 19.45 19.82 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 1.39 0.00 0.00 2.07 -1.84 -3.43 116.25 114.45 1y3j h VAL 51 Ca 0.00 -1.17 0.00 0.00 0.82 0.00 0.00 66.70 66.35 1y3j h VAL 51 Cb 0.00 2.16 0.00 0.00 -1.52 0.00 0.00 31.29 31.93 1y3j h VAL 51 CO 0.00 0.31 -0.10 0.00 0.02 0.00 0.00 177.57 177.80 1y3j n ILE 52 N -4.83 0.17 0.00 4.57 0.13 -1.15 -4.93 119.36 113.33 1y3j n ILE 52 Ca -0.08 0.46 0.00 0.00 -1.10 0.00 0.00 62.75 62.03 1y3j n ILE 52 Cb 0.26 -1.60 0.00 0.00 -0.84 0.00 0.00 39.64 37.47 1y3j n ILE 52 CO 0.00 0.00 0.00 1.67 2.80 0.00 0.00 176.55 181.02 1y3j n GLN 53 N -2.68 0.00 -0.07 9.51 -0.06 -1.26 -4.74 117.38 118.08 1y3j n GLN 53 Ca -0.01 0.00 -0.14 0.00 -2.00 0.00 0.00 57.00 54.85 1y3j n GLN 53 Cb 0.05 0.00 -0.09 0.00 -4.06 0.00 0.00 30.24 26.14 1y3j n GLN 53 CO 0.00 0.00 0.00 -1.35 -0.20 0.00 0.00 177.06 175.51 1y3j h PRO 54 N 0.00 -0.47 -0.84 3.69 0.11 -1.94 0.24 132.00 132.79 1y3j h PRO 54 Ca 0.00 0.03 0.19 0.00 0.11 0.00 0.00 66.00 66.33 1y3j h PRO 54 Cb 0.00 0.11 -0.12 0.00 0.11 0.00 0.00 31.00 31.10 1y3j h PRO 54 CO 0.00 -0.31 0.34 -1.00 -0.21 0.00 0.00 178.00 176.82 1y3j h PRO 55 N -0.48 0.39 -0.21 1.05 0.13 -2.01 -1.32 132.00 129.55 1y3j h PRO 55 Ca 0.06 -0.02 -0.11 0.00 -0.87 0.00 0.00 66.00 65.06 1y3j h PRO 55 Cb 0.64 -0.09 -0.01 0.00 0.13 0.00 0.00 31.00 31.67 1y3j h PRO 55 CO -0.51 0.26 -0.33 0.52 -0.23 0.00 0.00 178.00 177.71 1y3j h MET 56 N 0.40 0.44 -0.80 0.86 2.86 -1.15 -2.36 114.93 115.17 1y3j h MET 56 Ca 0.50 -0.19 -0.03 0.00 -2.06 0.00 0.00 59.70 57.93 1y3j h MET 56 Cb 0.89 -0.01 -0.04 0.00 0.06 0.00 0.00 31.60 32.50 1y3j h MET 56 CO -0.50 0.71 0.39 0.97 1.06 0.00 0.00 176.91 179.55 1y3j h ILE 57 N 0.38 1.25 -0.42 -1.22 2.10 0.52 0.13 117.51 120.25 1y3j h ILE 57 Ca 0.05 -0.69 0.05 0.00 1.08 0.00 0.00 64.86 65.35 1y3j h ILE 57 Cb 0.76 0.22 -0.04 0.00 -1.09 0.00 0.00 36.82 36.66 1y3j h ILE 57 CO 0.06 0.29 0.17 0.00 -1.08 0.00 0.00 178.15 177.59 1y3j h ALA 58 N 1.29 0.51 0.18 0.18 0.00 -1.22 -1.09 119.26 119.11 1y3j h ALA 58 Ca 0.28 0.04 -0.00 0.00 0.00 0.00 0.00 54.91 55.23 1y3j h ALA 58 Cb 0.11 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 17.89 1y3j h ALA 58 CO -0.04 -0.22 -0.13 0.93 0.00 0.00 0.00 179.25 179.80 1y3j h GLU 59 N 0.34 -0.30 -0.29 0.00 4.39 -0.83 -0.29 114.58 117.60 1y3j h GLU 59 Ca 0.19 0.02 0.05 0.00 0.34 0.00 0.00 59.36 59.96 1y3j h GLU 59 Cb 0.16 0.07 -0.01 0.00 -0.10 0.00 0.00 28.75 28.87 1y3j h GLU 59 CO -0.18 -0.20 0.20 0.74 -1.16 0.00 0.00 179.01 178.40 1y3j h PHE 60 N -0.31 0.17 0.63 4.33 0.04 -0.49 0.21 116.94 121.52 1y3j h PHE 60 Ca -0.01 0.00 -0.03 0.00 2.80 0.00 0.00 57.97 60.73 1y3j h PHE 60 Cb 0.27 -0.06 0.01 0.00 2.20 0.00 0.00 35.95 38.37 1y3j h PHE 60 CO -0.10 0.10 -0.30 0.82 -0.60 0.00 0.00 178.31 178.22 1y3j h ILE 61 N 0.17 0.30 -0.91 -0.55 2.04 -0.86 -3.28 117.51 114.43 1y3j h ILE 61 Ca 0.13 -0.20 0.22 0.00 1.00 0.00 0.00 64.86 66.00 1y3j h ILE 61 Cb 0.29 0.37 -0.12 0.00 -0.74 0.00 0.00 36.82 36.61 1y3j h ILE 61 CO -0.02 0.02 0.44 0.03 0.00 0.00 0.00 178.15 178.63 1y3j h ARG 62 N -1.00 0.45 -0.90 2.37 3.08 0.10 0.27 114.38 118.76 1y3j h ARG 62 Ca -0.09 -0.03 0.26 0.00 0.07 0.00 0.00 59.98 60.20 1y3j h ARG 62 Cb 0.69 -0.10 -0.04 0.00 0.08 0.00 0.00 29.97 30.60 1y3j h ARG 62 CO 0.14 0.30 0.65 0.93 -1.07 0.00 0.00 179.97 180.93 1y3j h GLU 63 N 0.47 0.00 0.00 0.04 5.08 -0.79 0.16 114.58 119.54 1y3j h GLU 63 Ca 0.57 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.93 1y3j h GLU 63 Cb 1.04 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.29 1y3j h GLU 63 CO -0.50 0.00 -0.17 -0.07 -1.00 0.00 0.00 179.01 177.28 1y3j h LEU 64 N 0.00 0.00 0.00 1.33 3.38 -1.05 -3.47 115.31 115.50 1y3j h LEU 64 Ca 0.43 -0.04 0.00 0.00 0.09 0.00 0.00 57.88 58.36 1y3j h LEU 64 Cb 1.72 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.47 1y3j h LEU 64 CO -0.00 0.02 0.00 0.61 0.09 0.00 0.00 178.44 179.15 1y3j n GLY 65 N 1.26 4.08 3.71 0.83 0.00 0.54 -5.10 105.19 110.50 1y3j n GLY 65 Ca 0.04 -0.81 -0.42 0.00 0.00 0.00 0.00 46.02 44.84 1y3j n GLY 65 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1y3j s PHE 66 N 0.00 3.56 -0.44 1.61 0.40 -1.26 -4.92 117.98 116.93 1y3j s PHE 66 Ca 0.00 1.56 -0.28 0.00 -0.60 0.00 0.00 56.93 57.61 1y3j s PHE 66 Cb 0.00 -3.22 0.00 0.00 0.51 0.00 0.00 43.02 40.31 1y3j s PHE 66 CO 0.00 -0.41 1.54 0.20 0.70 0.00 0.00 175.22 177.25 1y3j s GLY 67 N 1.07 0.91 -0.15 4.36 0.00 -1.26 -3.71 107.32 108.53 1y3j s GLY 67 Ca 0.53 -0.20 -0.27 0.00 0.00 0.00 0.00 44.72 44.78 1y3j s GLY 67 CO 0.26 2.95 0.89 0.00 0.00 0.00 0.00 173.10 177.20 1y3j s ALA 68 N 6.21 3.48 -0.14 3.20 0.00 -1.26 -4.02 121.76 129.24 1y3j s ALA 68 Ca 0.64 0.15 0.02 0.00 0.00 0.00 0.00 51.96 52.78 1y3j s ALA 68 Cb -0.15 -3.30 0.00 0.00 0.00 0.00 0.00 23.12 19.68 1y3j s ALA 68 CO 0.30 -0.63 -0.19 0.95 0.00 0.00 0.00 175.76 176.19 1y3j s THR 69 N 2.09 2.34 0.16 0.00 -4.23 -1.22 -4.94 115.64 109.84 1y3j s THR 69 Ca 0.42 -0.89 -0.26 0.00 -1.18 0.00 0.00 61.69 59.77 1y3j s THR 69 Cb -0.17 -1.95 -0.08 0.00 1.34 0.00 0.00 72.50 71.64 1y3j s THR 69 CO 0.14 0.54 0.81 -0.69 -0.54 0.00 0.00 174.62 174.88 1y3j s VAL 70 N 0.70 4.37 -0.43 2.29 1.01 -1.26 -0.42 120.40 126.66 1y3j s VAL 70 Ca -0.09 1.77 0.10 0.00 0.00 0.00 0.00 61.98 63.77 1y3j s VAL 70 Cb -0.16 -4.17 0.35 0.00 0.00 0.00 0.00 36.38 32.40 1y3j s VAL 70 CO 0.01 0.49 0.80 -0.38 0.00 0.00 0.00 175.10 176.02 1y3j n ILE 71 N 1.77 0.75 -1.74 2.22 5.41 0.20 -4.95 119.36 123.03 1y3j n ILE 71 Ca -0.04 -4.84 -0.38 0.00 1.00 0.00 0.00 62.75 58.49 1y3j n ILE 71 Cb 0.49 -0.56 0.06 0.00 -0.71 0.00 0.00 39.64 38.91 1y3j n ILE 71 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 176.55 175.93 1y3j n GLU 72 N 0.13 1.42 0.01 0.38 1.02 -1.26 -4.15 120.64 118.19 1y3j n GLU 72 Ca 0.26 0.54 0.00 0.00 -0.02 0.00 0.00 57.16 57.94 1y3j n GLU 72 Cb 0.59 -2.56 0.00 0.00 -0.02 0.00 0.00 31.44 29.45 1y3j n GLU 72 CO 0.00 0.00 0.00 0.27 1.18 0.00 0.00 177.13 178.58 1y3j n ASN 73 N -1.45 -0.18 -4.64 1.62 0.23 -1.26 -5.06 115.26 104.52 1y3j n ASN 73 Ca 0.13 0.05 -0.43 0.00 -0.53 0.00 0.00 54.58 53.80 1y3j n ASN 73 Cb 0.46 0.51 -0.03 0.00 -2.08 0.00 0.00 39.78 38.64 1y3j n ASN 73 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1y3j n ILE 74 N -2.56 0.61 0.15 1.53 3.06 -1.26 -4.89 119.36 116.00 1y3j n ILE 74 Ca 0.00 -0.26 -0.14 0.00 -2.50 0.00 0.00 62.75 59.85 1y3j n ILE 74 Cb 0.00 -2.41 -0.08 0.00 0.54 0.00 0.00 39.64 37.69 1y3j n ILE 74 CO 0.00 0.00 0.00 -0.08 -2.50 0.00 0.00 176.55 173.97 1y3j h GLU 75 N 12.31 -0.31 0.00 9.51 4.81 -2.04 -3.47 114.58 135.38 1y3j h GLU 75 Ca -0.46 0.02 0.00 0.00 -0.13 0.00 0.00 59.36 58.79 1y3j h GLU 75 Cb 1.24 0.07 0.00 0.00 0.63 0.00 0.00 28.75 30.69 1y3j h GLU 75 CO 0.95 -0.15 0.00 0.41 -0.73 0.00 0.00 179.01 179.49 1y3j n GLY 76 N -1.03 2.75 0.00 1.92 0.00 -1.26 -5.28 105.19 102.30 1y3j n GLY 76 Ca -0.09 -0.25 0.00 0.00 0.00 0.00 0.00 46.02 45.68 1y3j n GLY 76 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19