#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 -0.71 0.16 6.41 0.15 -1.26 -4.78 113.70 113.67 1y3j s SER 2 Ca 0.00 1.31 -0.22 0.00 0.70 0.00 0.00 55.95 57.74 1y3j s SER 2 Cb 0.00 1.32 -0.08 0.00 -1.71 0.00 0.00 66.02 65.55 1y3j s SER 2 CO 0.00 -0.22 0.71 -0.94 1.20 0.00 0.00 173.24 173.99 1y3j s SER 3 N 0.58 7.22 0.05 5.45 1.04 0.87 -4.91 113.70 123.99 1y3j s SER 3 Ca -0.01 1.49 0.02 0.00 0.48 0.00 0.00 55.95 57.93 1y3j s SER 3 Cb -0.05 -2.44 -0.04 0.00 0.10 0.00 0.00 66.02 63.59 1y3j s SER 3 CO -0.04 0.17 0.05 -0.54 0.98 0.00 0.00 173.24 173.86 1y3j s LYS 4 N -1.38 2.84 0.11 4.02 3.01 -1.26 -0.99 119.74 126.09 1y3j s LYS 4 Ca 0.36 -0.66 -0.13 0.00 -1.01 0.00 0.00 55.97 54.54 1y3j s LYS 4 Cb -0.20 -2.71 0.02 0.00 -1.01 0.00 0.00 37.83 33.93 1y3j s LYS 4 CO 0.23 0.59 0.31 0.00 0.51 0.00 0.00 175.35 176.99 1y3j s TYR 6 N -3.76 0.71 -0.05 0.00 1.51 -1.26 -0.50 117.35 114.00 1y3j s TYR 6 Ca 0.03 -0.43 -0.02 0.00 -1.01 0.00 0.00 57.07 55.64 1y3j s TYR 6 Cb 0.03 -0.43 0.04 0.00 -0.11 0.00 0.00 41.96 41.49 1y3j s TYR 6 CO -0.11 -0.06 0.09 0.96 -1.11 0.00 0.00 175.55 175.33 1y3j s ILE 7 N -1.17 -0.15 -0.12 2.71 -4.36 -0.36 -0.56 121.20 117.20 1y3j s ILE 7 Ca -0.07 0.37 -0.29 0.00 -0.26 0.00 0.00 60.65 60.40 1y3j s ILE 7 Cb -0.09 -0.19 -0.01 0.00 1.25 0.00 0.00 42.46 43.42 1y3j s ILE 7 CO 0.01 0.15 0.97 -1.58 0.24 0.00 0.00 174.94 174.73 1y3j s GLN 8 N 2.04 4.40 -0.01 0.37 2.00 0.14 -0.21 119.66 128.39 1y3j s GLN 8 Ca 0.02 1.32 0.01 0.00 -2.00 0.00 0.00 55.36 54.72 1y3j s GLN 8 Cb -0.12 -3.55 0.00 0.00 0.80 0.00 0.00 33.01 30.15 1y3j s GLN 8 CO -0.04 -0.31 -0.04 0.54 -0.50 0.00 0.00 175.29 174.94 1y3j s VAL 9 N 2.02 0.38 -1.43 1.34 0.11 -1.24 -0.51 120.40 121.08 1y3j s VAL 9 Ca 0.47 -0.15 -0.11 0.00 -2.93 0.00 0.00 61.98 59.25 1y3j s VAL 9 Cb -0.18 -0.36 0.06 0.00 -1.53 0.00 0.00 36.38 34.37 1y3j s VAL 9 CO 0.17 0.13 2.27 0.41 -3.33 0.00 0.00 175.10 174.76 1y3j n THR 10 N 3.29 3.98 0.00 5.04 -1.04 -0.29 -4.15 114.28 121.10 1y3j n THR 10 Ca -0.17 -3.41 0.00 0.00 -2.04 0.00 0.00 64.05 58.43 1y3j n THR 10 Cb 0.56 -2.50 0.00 0.00 -1.82 0.00 0.00 70.33 66.57 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 3.48 0.86 0.21 3.41 0.00 -1.26 -4.80 105.19 107.08 1y3j n GLY 11 Ca 0.54 0.09 -0.15 0.00 0.00 0.00 0.00 46.02 46.50 1y3j n GLY 11 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 1y3j n MET 12 N 0.00 0.49 -0.75 1.61 2.81 -1.26 -4.60 117.12 115.42 1y3j n MET 12 Ca 0.00 0.20 -0.19 0.00 -1.81 0.00 0.00 57.70 55.90 1y3j n MET 12 Cb 0.00 -1.35 -0.04 0.00 -0.71 0.00 0.00 33.22 31.11 1y3j n MET 12 CO 0.00 0.00 0.00 2.41 1.51 0.00 0.00 175.97 179.89 1y3j n THR 13 N -4.26 2.43 -4.03 2.03 -1.04 -1.26 -4.60 114.28 103.55 1y3j n THR 13 Ca -0.27 -1.40 -0.25 0.00 -2.04 0.00 0.00 64.05 60.09 1y3j n THR 13 Cb 0.61 -2.08 -0.05 0.00 -1.82 0.00 0.00 70.33 67.00 1y3j n THR 13 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1y3j s ALA 15 N -2.66 3.53 0.00 0.00 0.00 -1.26 -4.15 121.76 117.22 1y3j s ALA 15 Ca 0.36 0.19 0.00 0.00 0.00 0.00 0.00 51.96 52.51 1y3j s ALA 15 Cb 0.01 -3.39 0.00 0.00 0.00 0.00 0.00 23.12 19.73 1y3j s ALA 15 CO 0.21 -0.76 0.00 0.45 0.00 0.00 0.00 175.76 175.66 1y3j n SER 16 N 5.49 0.00 0.00 0.00 2.88 -1.26 -4.81 113.62 115.92 1y3j n SER 16 Ca 0.08 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.62 1y3j n SER 16 Cb 0.48 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.94 1y3j n SER 16 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1y3j h VAL 18 N 0.00 0.07 -0.63 0.00 3.04 -1.86 0.26 116.25 117.13 1y3j h VAL 18 Ca 0.00 -0.02 0.05 0.00 -1.01 0.00 0.00 66.70 65.72 1y3j h VAL 18 Cb 0.00 0.00 -0.05 0.00 -2.01 0.00 0.00 31.29 29.23 1y3j h VAL 18 CO 0.00 0.01 0.35 0.00 -1.01 0.00 0.00 177.57 176.92 1y3j h ALA 19 N 1.79 0.83 0.10 3.17 0.00 -1.95 0.42 119.26 123.61 1y3j h ALA 19 Ca 0.84 0.01 -0.00 0.00 0.00 0.00 0.00 54.91 55.75 1y3j h ALA 19 Cb 2.39 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 20.06 1y3j h ALA 19 CO -0.59 0.04 -0.05 -0.97 0.00 0.00 0.00 179.25 177.68 1y3j h ASN 20 N 0.66 -0.11 -0.20 0.00 -1.24 -0.89 -1.78 115.58 112.02 1y3j h ASN 20 Ca 0.27 -0.06 0.03 0.00 0.71 0.00 0.00 56.30 57.25 1y3j h ASN 20 Cb 0.14 0.03 -0.06 0.00 0.73 0.00 0.00 38.32 39.15 1y3j h ASN 20 CO -0.16 -0.01 -0.50 0.40 -1.29 0.00 0.00 177.43 175.86 1y3j h ILE 21 N -0.21 0.00 -0.90 2.57 1.08 -0.79 0.50 117.51 119.77 1y3j h ILE 21 Ca -0.01 0.00 0.24 0.00 -0.39 0.00 0.00 64.86 64.70 1y3j h ILE 21 Cb 0.17 0.00 -0.16 0.00 -3.07 0.00 0.00 36.82 33.76 1y3j h ILE 21 CO 0.02 0.00 0.12 -0.08 -0.69 0.00 0.00 178.15 177.52 1y3j h GLU 22 N -0.49 0.10 -0.12 2.37 4.22 -0.12 1.28 114.58 121.82 1y3j h GLU 22 Ca 0.04 -0.01 -0.05 0.00 0.08 0.00 0.00 59.36 59.43 1y3j h GLU 22 Cb 0.60 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.82 1y3j h GLU 22 CO -0.44 0.06 -0.14 0.00 -2.18 0.00 0.00 179.01 176.31 1y3j h ARG 23 N 0.10 0.18 0.27 1.92 2.47 -0.21 -3.36 114.38 115.75 1y3j h ARG 23 Ca 0.55 -0.04 -0.01 0.00 -1.26 0.00 0.00 59.98 59.22 1y3j h ARG 23 Cb 1.13 -0.03 0.00 0.00 -1.65 0.00 0.00 29.97 29.42 1y3j h ARG 23 CO -0.77 0.33 -0.13 -2.95 0.56 0.00 0.00 179.97 177.01 1y3j h ASN 24 N 0.17 -0.31 0.98 7.04 -0.00 0.65 -3.16 115.58 120.96 1y3j h ASN 24 Ca 0.04 0.01 -0.11 0.00 -0.00 0.00 0.00 56.30 56.24 1y3j h ASN 24 Cb 0.35 0.08 -0.02 0.00 -0.00 0.00 0.00 38.32 38.74 1y3j h ASN 24 CO 0.02 -0.22 -0.52 -0.07 -0.00 0.00 0.00 177.43 176.64 1y3j h LEU 25 N -0.37 0.00 -2.08 6.14 4.07 -1.66 0.45 115.31 121.86 1y3j h LEU 25 Ca -0.04 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.92 1y3j h LEU 25 Cb 0.28 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.02 1y3j h LEU 25 CO 0.06 0.52 0.00 0.03 -1.08 0.00 0.00 178.44 177.98 1y3j h ARG 26 N 0.00 0.00 -1.00 1.13 3.08 -1.70 -0.10 114.38 115.78 1y3j h ARG 26 Ca -0.01 0.00 0.07 0.00 0.07 0.00 0.00 59.98 60.11 1y3j h ARG 26 Cb 1.16 0.00 -0.07 0.00 0.08 0.00 0.00 29.97 31.14 1y3j h ARG 26 CO 0.07 0.00 0.65 0.00 -1.07 0.00 0.00 179.97 179.62 1y3j h ARG 27 N 0.00 1.13 -3.53 0.04 2.47 -0.86 -3.42 114.38 110.21 1y3j h ARG 27 Ca 0.00 -0.07 -0.80 0.00 -1.26 0.00 0.00 59.98 57.86 1y3j h ARG 27 Cb 0.08 -0.26 -0.28 0.00 -1.65 0.00 0.00 29.97 27.86 1y3j h ARG 27 CO 0.00 0.75 0.44 0.39 0.56 0.00 0.00 179.97 182.11 1y3j n GLU 28 N -4.51 3.54 -1.27 0.04 1.02 -0.05 -4.97 120.64 114.43 1y3j n GLU 28 Ca 0.16 -4.46 -0.54 0.00 -0.02 0.00 0.00 57.16 52.29 1y3j n GLU 28 Cb 0.19 -2.54 -0.09 0.00 -0.02 0.00 0.00 31.44 28.98 1y3j n GLU 28 CO 0.00 0.00 0.00 -0.85 1.18 0.00 0.00 177.13 177.46 1y3j n GLU 29 N 2.61 0.00 0.00 3.49 0.28 -1.26 -0.60 120.64 125.16 1y3j n GLU 29 Ca 0.24 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 57.24 1y3j n GLU 29 Cb 0.39 -1.28 0.00 0.00 1.43 0.00 0.00 31.44 31.98 1y3j n GLU 29 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 1y3j n GLY 30 N 4.92 1.80 3.79 -1.84 0.00 -1.26 -4.50 105.19 108.10 1y3j n GLY 30 Ca 0.37 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 46.03 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 -1.58 4.06 -0.20 -0.61 -1.09 0.23 -0.18 121.20 121.84 1y3j s ILE 31 Ca 0.00 1.56 0.22 0.00 -2.23 0.00 0.00 60.65 60.20 1y3j s ILE 31 Cb 0.00 -3.79 0.48 0.00 -1.58 0.00 0.00 42.46 37.57 1y3j s ILE 31 CO 0.00 -0.01 1.13 -1.22 -1.23 0.00 0.00 174.94 173.61 1y3j n TYR 32 N 0.04 1.04 -3.54 3.97 4.01 -0.63 -4.96 117.16 117.09 1y3j n TYR 32 Ca 0.04 -1.74 -0.01 0.00 -0.16 0.00 0.00 57.90 56.03 1y3j n TYR 32 Cb 0.51 -0.22 -0.05 0.00 -0.31 0.00 0.00 39.34 39.27 1y3j n TYR 32 CO 0.00 0.00 0.00 -1.12 -0.46 0.00 0.00 176.86 175.28 1y3j s SER 33 N -3.35 -0.64 -0.41 7.72 0.01 -1.12 -5.01 113.70 110.90 1y3j s SER 33 Ca 0.31 0.94 -0.09 0.00 1.31 0.00 0.00 55.95 58.42 1y3j s SER 33 Cb 0.34 1.53 0.07 0.00 0.21 0.00 0.00 66.02 68.18 1y3j s SER 33 CO -0.07 -0.14 0.24 -0.51 0.41 0.00 0.00 173.24 173.18 1y3j s ILE 34 N 2.01 4.21 0.15 1.44 -1.16 -1.26 -3.49 121.20 123.09 1y3j s ILE 34 Ca -0.06 -1.35 0.10 0.00 -0.51 0.00 0.00 60.65 58.83 1y3j s ILE 34 Cb -0.06 -3.55 -0.04 0.00 0.61 0.00 0.00 42.46 39.42 1y3j s ILE 34 CO -0.17 -0.47 -0.21 -0.76 -2.81 0.00 0.00 174.94 170.52 1y3j s LEU 35 N 1.43 2.54 -0.35 8.50 1.02 -0.12 -4.87 118.68 126.84 1y3j s LEU 35 Ca 0.03 -0.71 0.07 0.00 0.02 0.00 0.00 54.13 53.54 1y3j s LEU 35 Cb -0.22 -1.35 0.19 0.00 0.02 0.00 0.00 46.19 44.82 1y3j s LEU 35 CO 0.02 0.15 0.60 0.54 0.02 0.00 0.00 176.35 177.69 1y3j s VAL 36 N -1.34 -0.98 -1.40 -1.59 0.11 -1.26 0.41 120.40 114.34 1y3j s VAL 36 Ca 0.18 -0.02 -0.15 0.00 -2.93 0.00 0.00 61.98 59.06 1y3j s VAL 36 Cb -0.09 -0.53 0.05 0.00 -1.53 0.00 0.00 36.38 34.28 1y3j s VAL 36 CO 0.09 -0.01 2.06 0.00 -3.33 0.00 0.00 175.10 173.91 1y3j n ALA 37 N 4.94 4.88 -0.26 1.54 0.00 -0.55 -4.78 120.51 126.27 1y3j n ALA 37 Ca 0.08 -3.88 -0.01 0.00 0.00 0.00 0.00 53.44 49.63 1y3j n ALA 37 Cb 0.55 -3.56 0.05 0.00 0.00 0.00 0.00 19.45 16.49 1y3j n ALA 37 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 1y3j h LEU 38 N 10.84 -1.02 -1.74 0.00 3.38 -1.94 0.16 115.31 124.98 1y3j h LEU 38 Ca 0.53 0.24 0.11 0.00 0.09 0.00 0.00 57.88 58.85 1y3j h LEU 38 Cb 0.72 0.57 -0.03 0.00 0.09 0.00 0.00 40.66 42.00 1y3j h LEU 38 CO 1.74 -0.28 0.38 0.24 0.09 0.00 0.00 178.44 180.60 1y3j h MET 39 N -0.07 0.28 -0.00 1.13 2.86 -1.89 0.10 114.93 117.34 1y3j h MET 39 Ca 0.31 -0.02 0.00 0.00 -2.06 0.00 0.00 59.70 57.94 1y3j h MET 39 Cb 0.57 -0.06 0.00 0.00 0.06 0.00 0.00 31.60 32.17 1y3j h MET 39 CO -0.78 0.19 -0.04 0.00 1.06 0.00 0.00 176.91 177.33 1y3j n ALA 40 N -2.55 2.68 -0.88 6.32 0.00 0.54 -4.91 120.51 121.70 1y3j n ALA 40 Ca 0.09 -0.28 0.00 0.00 0.00 0.00 0.00 53.44 53.25 1y3j n ALA 40 Cb 0.41 -1.37 0.00 0.00 0.00 0.00 0.00 19.45 18.50 1y3j n ALA 40 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1y3j n GLY 41 N 1.16 0.47 3.15 0.00 0.00 0.35 -5.03 105.19 105.29 1y3j n GLY 41 Ca 0.19 -0.86 -0.12 0.00 0.00 0.00 0.00 46.02 45.22 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 -1.58 0.48 0.60 1.61 -2.85 -1.18 -3.61 119.74 113.20 1y3j s LYS 42 Ca 0.00 -0.11 -0.08 0.00 -1.00 0.00 0.00 55.97 54.78 1y3j s LYS 42 Cb 0.00 0.21 -0.01 0.00 -2.06 0.00 0.00 37.83 35.97 1y3j s LYS 42 CO 0.00 -0.11 0.94 0.00 0.10 0.00 0.00 175.35 176.28 1y3j s ALA 43 N -0.90 3.20 -0.02 0.59 0.00 0.71 -1.47 121.76 123.87 1y3j s ALA 43 Ca -0.10 -0.47 0.01 0.00 0.00 0.00 0.00 51.96 51.40 1y3j s ALA 43 Cb -0.05 -2.78 0.01 0.00 0.00 0.00 0.00 23.12 20.30 1y3j s ALA 43 CO 0.02 -0.77 -0.05 -1.21 0.00 0.00 0.00 175.76 173.75 1y3j s GLU 44 N -5.06 0.57 -0.02 0.00 2.02 0.17 -1.22 118.70 115.17 1y3j s GLU 44 Ca 0.54 -0.15 0.03 0.00 0.02 0.00 0.00 54.97 55.41 1y3j s GLU 44 Cb -0.11 -0.58 -0.00 0.00 0.10 0.00 0.00 34.13 33.54 1y3j s GLU 44 CO 0.48 0.04 -0.11 0.08 0.02 0.00 0.00 175.26 175.77 1y3j s VAL 45 N 0.29 0.87 -0.25 2.63 1.01 0.34 -0.95 120.40 124.35 1y3j s VAL 45 Ca -0.03 -0.44 -0.02 0.00 0.00 0.00 0.00 61.98 61.49 1y3j s VAL 45 Cb -0.07 -0.74 0.13 0.00 0.00 0.00 0.00 36.38 35.69 1y3j s VAL 45 CO -0.00 0.26 0.35 -0.60 0.00 0.00 0.00 175.10 175.11 1y3j s ARG 46 N -0.06 0.33 0.38 2.72 3.52 -1.23 -1.07 118.95 123.54 1y3j s ARG 46 Ca 0.01 0.37 -0.10 0.00 -0.13 0.00 0.00 55.73 55.87 1y3j s ARG 46 Cb -0.06 -0.57 0.04 0.00 -1.56 0.00 0.00 34.95 32.79 1y3j s ARG 46 CO 0.00 -0.74 0.68 1.52 -0.81 0.00 0.00 175.30 175.95 1y3j s TYR 47 N 2.50 0.49 -0.16 5.12 1.13 -0.16 -1.61 117.35 124.66 1y3j s TYR 47 Ca 0.11 -1.01 0.01 0.00 -1.41 0.00 0.00 57.07 54.77 1y3j s TYR 47 Cb -0.15 0.50 0.01 0.00 -1.10 0.00 0.00 41.96 41.22 1y3j s TYR 47 CO -0.19 -1.43 -0.19 0.54 -2.51 0.00 0.00 175.55 171.77 1y3j s ASN 48 N -3.14 3.32 -1.47 -0.18 6.03 0.75 -0.09 114.94 120.16 1y3j s ASN 48 Ca 0.21 -0.58 -0.09 0.00 -1.03 0.00 0.00 52.86 51.38 1y3j s ASN 48 Cb -0.03 -1.50 0.02 0.00 -3.03 0.00 0.00 41.25 36.71 1y3j s ASN 48 CO 0.15 0.05 2.56 -0.81 -2.03 0.00 0.00 177.10 177.02 1y3j n PRO 49 N 4.31 3.88 0.00 3.55 -0.04 -1.26 -4.00 135.00 141.44 1y3j n PRO 49 Ca -0.20 -2.82 0.00 0.00 -0.04 0.00 0.00 63.50 60.44 1y3j n PRO 49 Cb 0.51 -2.82 0.00 0.00 -0.04 0.00 0.00 33.50 31.15 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 3.32 2.93 -0.22 0.55 0.00 -1.26 -4.76 120.51 121.07 1y3j n ALA 50 Ca 0.66 0.00 -0.02 0.00 0.00 0.00 0.00 53.44 54.08 1y3j n ALA 50 Cb 0.27 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 0.95 0.00 0.00 2.07 -1.90 -3.38 116.25 113.99 1y3j h VAL 51 Ca 0.00 -0.22 -0.05 0.00 0.82 0.00 0.00 66.70 67.25 1y3j h VAL 51 Cb 0.00 0.25 -0.01 0.00 -1.52 0.00 0.00 31.29 30.01 1y3j h VAL 51 CO 0.00 0.12 -1.40 0.00 0.02 0.00 0.00 177.57 176.31 1y3j n ILE 52 N -4.81 0.19 -1.23 4.57 3.06 -1.26 -5.04 119.36 114.84 1y3j n ILE 52 Ca 0.08 -0.22 0.00 0.00 -2.50 0.00 0.00 62.75 60.11 1y3j n ILE 52 Cb 0.18 -0.13 0.00 0.00 0.54 0.00 0.00 39.64 40.23 1y3j n ILE 52 CO 0.00 0.00 0.00 0.00 -2.50 0.00 0.00 176.55 174.05 1y3j n GLN 53 N -1.96 -2.66 -0.30 9.51 3.00 -1.26 -3.62 117.38 120.09 1y3j n GLN 53 Ca -0.05 2.13 0.13 0.00 -0.01 0.00 0.00 57.00 59.20 1y3j n GLN 53 Cb 0.41 -2.03 0.30 0.00 0.00 0.00 0.00 30.24 28.92 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 2.03 0.30 0.37 -1.09 0.11 -1.92 0.30 132.00 132.08 1y3j h PRO 54 Ca 0.00 -0.02 -0.01 0.00 0.11 0.00 0.00 66.00 66.08 1y3j h PRO 54 Cb 0.00 -0.07 -0.00 0.00 0.11 0.00 0.00 31.00 31.04 1y3j h PRO 54 CO 0.00 0.20 -0.22 -1.00 -0.21 0.00 0.00 178.00 176.76 1y3j h PRO 55 N 0.31 -0.54 0.00 1.05 0.13 -2.01 -3.15 132.00 127.78 1y3j h PRO 55 Ca 0.56 0.04 -0.08 0.00 -0.87 0.00 0.00 66.00 65.64 1y3j h PRO 55 Cb 1.09 0.12 -0.01 0.00 0.13 0.00 0.00 31.00 32.33 1y3j h PRO 55 CO -0.58 -0.36 -0.39 0.52 -0.23 0.00 0.00 178.00 176.96 1y3j h MET 56 N -0.56 0.00 -0.51 0.86 2.86 -0.87 -0.75 114.93 115.95 1y3j h MET 56 Ca -0.04 0.00 -0.06 0.00 -2.06 0.00 0.00 59.70 57.54 1y3j h MET 56 Cb 0.46 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 32.10 1y3j h MET 56 CO 0.04 0.39 0.07 0.97 1.06 0.00 0.00 176.91 179.44 1y3j h ILE 57 N 0.00 1.23 -0.25 -1.22 2.10 -0.63 0.72 117.51 119.47 1y3j h ILE 57 Ca -0.00 -0.90 0.00 0.00 1.08 0.00 0.00 64.86 65.04 1y3j h ILE 57 Cb 0.75 0.77 -0.01 0.00 -1.09 0.00 0.00 36.82 37.23 1y3j h ILE 57 CO 0.05 0.33 0.16 0.00 -1.08 0.00 0.00 178.15 177.60 1y3j h ALA 58 N 1.30 0.31 0.73 0.18 0.00 -1.14 -3.23 119.26 117.41 1y3j h ALA 58 Ca 0.16 -0.01 -0.04 0.00 0.00 0.00 0.00 54.91 55.02 1y3j h ALA 58 Cb 0.37 -0.09 0.01 0.00 0.00 0.00 0.00 17.79 18.08 1y3j h ALA 58 CO 0.01 -0.23 -0.35 0.93 0.00 0.00 0.00 179.25 179.61 1y3j h GLU 59 N 0.32 -0.94 -1.01 0.00 4.39 -0.61 -3.16 114.58 113.56 1y3j h GLU 59 Ca 0.09 0.06 0.24 0.00 0.34 0.00 0.00 59.36 60.10 1y3j h GLU 59 Cb -0.03 0.21 -0.11 0.00 -0.10 0.00 0.00 28.75 28.73 1y3j h GLU 59 CO -0.03 -0.62 0.63 0.74 -1.16 0.00 0.00 179.01 178.57 1y3j h PHE 60 N -1.02 0.88 -0.25 4.33 0.04 -0.94 0.45 116.94 120.43 1y3j h PHE 60 Ca -0.10 0.03 -0.00 0.00 2.80 0.00 0.00 57.97 60.70 1y3j h PHE 60 Cb 0.76 -0.26 -0.01 0.00 2.20 0.00 0.00 35.95 38.64 1y3j h PHE 60 CO -0.02 0.10 0.15 0.82 -0.60 0.00 0.00 178.31 178.77 1y3j h ILE 61 N 0.55 1.10 -0.13 -0.55 2.04 -1.57 -2.62 117.51 116.33 1y3j h ILE 61 Ca 0.61 -0.24 -0.07 0.00 1.00 0.00 0.00 64.86 66.15 1y3j h ILE 61 Cb 1.25 0.80 -0.01 0.00 -0.74 0.00 0.00 36.82 38.13 1y3j h ILE 61 CO -0.38 0.10 -0.25 0.03 0.00 0.00 0.00 178.15 177.65 1y3j h ARG 62 N 0.31 0.23 -0.06 2.37 3.08 -0.19 -1.73 114.38 118.39 1y3j h ARG 62 Ca 0.09 -0.07 0.02 0.00 0.07 0.00 0.00 59.98 60.08 1y3j h ARG 62 Cb 0.02 -0.02 -0.00 0.00 0.08 0.00 0.00 29.97 30.05 1y3j h ARG 62 CO -0.02 0.47 0.09 0.93 -1.07 0.00 0.00 179.97 180.37 1y3j h GLU 63 N 0.21 0.00 0.00 0.04 5.08 -0.54 0.21 114.58 119.58 1y3j h GLU 63 Ca 0.03 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.39 1y3j h GLU 63 Cb 0.56 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.81 1y3j h GLU 63 CO 0.04 0.00 -0.06 -0.07 -1.00 0.00 0.00 179.01 177.91 1y3j h LEU 64 N 0.00 0.00 0.00 1.33 3.38 -1.14 -3.47 115.31 115.41 1y3j h LEU 64 Ca 0.03 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.98 1y3j h LEU 64 Cb 0.21 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.96 1y3j h LEU 64 CO -0.00 0.01 0.00 0.61 0.09 0.00 0.00 178.44 179.15 1y3j n GLY 65 N 1.26 1.16 3.56 0.83 0.00 0.74 -5.06 105.19 107.68 1y3j n GLY 65 Ca 0.05 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.66 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 -2.05 2.35 -0.94 1.61 0.40 -1.13 -4.91 117.98 113.31 1y3j s PHE 66 Ca 0.00 0.09 -0.25 0.00 -0.60 0.00 0.00 56.93 56.16 1y3j s PHE 66 Cb 0.00 -4.59 -0.13 0.00 0.51 0.00 0.00 43.02 38.81 1y3j s PHE 66 CO 0.00 -1.96 2.16 0.20 0.70 0.00 0.00 175.22 176.33 1y3j s GLY 67 N 3.62 -0.52 -0.14 4.36 0.00 -1.26 -3.41 107.32 109.96 1y3j s GLY 67 Ca 0.38 -1.32 -0.02 0.00 0.00 0.00 0.00 44.72 43.76 1y3j s GLY 67 CO 0.18 3.97 -0.08 0.00 0.00 0.00 0.00 173.10 177.17 1y3j s ALA 68 N 13.68 2.82 -0.03 3.20 0.00 -1.26 -1.14 121.76 139.02 1y3j s ALA 68 Ca 0.81 -0.85 0.07 0.00 0.00 0.00 0.00 51.96 51.99 1y3j s ALA 68 Cb -0.08 -1.38 -0.02 0.00 0.00 0.00 0.00 23.12 21.64 1y3j s ALA 68 CO 0.09 0.24 -0.24 -0.08 0.00 0.00 0.00 175.76 175.77 1y3j s THR 69 N 0.34 1.88 0.10 0.00 -1.32 0.34 -4.87 115.64 112.10 1y3j s THR 69 Ca -0.07 -1.00 -0.26 0.00 -1.21 0.00 0.00 61.69 59.14 1y3j s THR 69 Cb -0.15 -1.57 -0.06 0.00 -1.51 0.00 0.00 72.50 69.20 1y3j s THR 69 CO 0.04 0.53 0.81 -0.69 -2.21 0.00 0.00 174.62 173.10 1y3j s VAL 70 N -0.41 4.56 -0.41 5.08 1.01 -1.26 -0.68 120.40 128.28 1y3j s VAL 70 Ca 0.05 1.75 0.04 0.00 0.00 0.00 0.00 61.98 63.81 1y3j s VAL 70 Cb -0.10 -4.17 0.17 0.00 0.00 0.00 0.00 36.38 32.27 1y3j s VAL 70 CO 0.00 0.41 0.41 -0.63 0.00 0.00 0.00 175.10 175.29 1y3j s ILE 71 N -0.41 -0.12 1.06 2.22 1.01 0.28 -4.92 121.20 120.33 1y3j s ILE 71 Ca 0.39 -1.78 -0.13 0.00 0.00 0.00 0.00 60.65 59.13 1y3j s ILE 71 Cb -0.22 -0.84 0.18 0.00 0.01 0.00 0.00 42.46 41.59 1y3j s ILE 71 CO 0.25 -0.81 0.81 -0.62 0.00 0.00 0.00 174.94 174.57 1y3j n GLU 72 N 3.38 -1.43 -4.57 2.79 4.71 -1.26 -3.98 120.64 120.27 1y3j n GLU 72 Ca 0.21 -0.38 -0.28 0.00 -0.01 0.00 0.00 57.16 56.70 1y3j n GLU 72 Cb 0.47 -2.11 -0.11 0.00 -1.01 0.00 0.00 31.44 28.69 1y3j n GLU 72 CO 0.00 0.00 0.00 0.54 0.09 0.00 0.00 177.13 177.76 1y3j s ASN 73 N -2.33 3.91 0.14 1.62 2.20 -1.26 -5.01 114.94 114.21 1y3j s ASN 73 Ca 0.64 -1.33 -0.05 0.00 -0.94 0.00 0.00 52.86 51.19 1y3j s ASN 73 Cb -0.22 -0.40 -0.02 0.00 -2.00 0.00 0.00 41.25 38.60 1y3j s ASN 73 CO 0.64 -0.43 0.16 0.27 -2.94 0.00 0.00 177.10 174.80 1y3j s ILE 74 N -2.69 0.09 -0.03 0.54 -4.36 -1.26 -5.08 121.20 108.42 1y3j s ILE 74 Ca 0.35 -1.65 -0.22 0.00 -0.26 0.00 0.00 60.65 58.88 1y3j s ILE 74 Cb 0.09 -1.92 -0.15 0.00 1.25 0.00 0.00 42.46 41.73 1y3j s ILE 74 CO 0.18 -0.41 0.98 -0.08 0.24 0.00 0.00 174.94 175.86 1y3j h GLU 75 N 2.72 -0.34 0.00 0.37 4.81 -2.09 -3.50 114.58 116.55 1y3j h GLU 75 Ca -0.33 0.02 0.00 0.00 -0.13 0.00 0.00 59.36 58.92 1y3j h GLU 75 Cb 1.21 0.08 0.00 0.00 0.63 0.00 0.00 28.75 30.67 1y3j h GLU 75 CO 0.54 0.01 0.00 0.41 -0.73 0.00 0.00 179.01 179.24 1y3j n GLY 76 N 0.19 0.50 3.43 1.92 0.00 -1.26 -5.38 105.19 104.60 1y3j n GLY 76 Ca -0.08 -1.10 0.00 0.00 0.00 0.00 0.00 46.02 44.84 1y3j n GLY 76 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86