#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 1.70 -3.44 6.41 7.64 -1.26 -4.05 113.62 120.62 1y3j n SER 2 Ca 0.00 1.14 -0.13 0.00 1.01 0.00 0.00 58.87 60.89 1y3j n SER 2 Cb 0.00 -1.00 -0.04 0.00 -1.01 0.00 0.00 64.21 62.16 1y3j n SER 2 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 1y3j s SER 3 N 3.12 0.61 0.20 6.43 0.01 0.12 -4.99 113.70 119.20 1y3j s SER 3 Ca 1.01 -1.35 0.09 0.00 1.31 0.00 0.00 55.95 57.01 1y3j s SER 3 Cb -1.30 0.64 -0.05 0.00 0.21 0.00 0.00 66.02 65.53 1y3j s SER 3 CO 0.74 -1.26 -0.17 -1.59 0.41 0.00 0.00 173.24 171.37 1y3j s LYS 4 N -3.27 1.35 0.02 12.44 -2.85 -1.26 -0.42 119.74 125.75 1y3j s LYS 4 Ca 0.28 -1.54 -0.04 0.00 -1.00 0.00 0.00 55.97 53.68 1y3j s LYS 4 Cb -0.00 -1.28 -0.01 0.00 -2.06 0.00 0.00 37.83 34.47 1y3j s LYS 4 CO 0.17 0.24 0.05 0.00 0.10 0.00 0.00 175.35 175.90 1y3j s TYR 6 N -2.03 3.43 0.00 0.00 1.51 -0.88 -2.01 117.35 117.37 1y3j s TYR 6 Ca -0.10 1.35 0.04 0.00 -1.01 0.00 0.00 57.07 57.35 1y3j s TYR 6 Cb -0.05 -2.63 -0.01 0.00 -0.11 0.00 0.00 41.96 39.16 1y3j s TYR 6 CO -0.02 0.11 -0.13 0.42 -1.11 0.00 0.00 175.55 174.82 1y3j s ILE 7 N -1.92 0.99 -0.20 2.71 -1.09 0.52 -0.53 121.20 121.69 1y3j s ILE 7 Ca 0.53 -0.62 -0.12 0.00 -2.23 0.00 0.00 60.65 58.21 1y3j s ILE 7 Cb -0.12 -0.85 -0.05 0.00 -1.58 0.00 0.00 42.46 39.87 1y3j s ILE 7 CO 0.18 0.22 0.22 -1.58 -1.23 0.00 0.00 174.94 172.74 1y3j s GLN 8 N -0.46 4.18 -0.12 2.79 2.00 0.46 -0.82 119.66 127.68 1y3j s GLN 8 Ca 0.04 -0.09 0.01 0.00 -2.00 0.00 0.00 55.36 53.31 1y3j s GLN 8 Cb -0.05 -3.46 0.02 0.00 0.80 0.00 0.00 33.01 30.31 1y3j s GLN 8 CO -0.00 0.18 -0.13 0.54 -0.50 0.00 0.00 175.29 175.39 1y3j s VAL 9 N 0.67 1.37 0.22 1.34 0.11 -1.26 -0.83 120.40 122.02 1y3j s VAL 9 Ca 0.12 -0.53 -0.30 0.00 -2.93 0.00 0.00 61.98 58.34 1y3j s VAL 9 Cb -0.13 -1.29 -0.09 0.00 -1.53 0.00 0.00 36.38 33.34 1y3j s VAL 9 CO 0.02 0.42 1.18 0.28 -3.33 0.00 0.00 175.10 173.67 1y3j s THR 10 N 1.32 3.48 0.00 5.04 -1.32 0.24 -3.60 115.64 120.81 1y3j s THR 10 Ca -0.00 1.33 0.00 0.00 -1.21 0.00 0.00 61.69 61.81 1y3j s THR 10 Cb -0.14 -3.85 0.00 0.00 -1.51 0.00 0.00 72.50 67.01 1y3j s THR 10 CO -0.06 0.25 0.00 0.61 -2.21 0.00 0.00 174.62 173.21 1y3j n GLY 11 N 1.78 3.21 5.00 6.08 0.00 -1.26 -4.71 105.19 115.29 1y3j n GLY 11 Ca 0.02 -0.89 0.00 0.00 0.00 0.00 0.00 46.02 45.15 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 0.00 -0.19 1.61 0.00 -1.24 -1.53 117.12 115.77 1y3j n MET 12 Ca 0.00 0.00 0.05 0.00 0.00 0.00 0.00 57.70 57.75 1y3j n MET 12 Cb 0.00 0.00 0.15 0.00 0.00 0.00 0.00 33.22 33.37 1y3j n MET 12 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 175.97 173.60 1y3j n THR 13 N 0.00 1.22 -1.92 2.03 5.66 -1.26 -4.49 114.28 115.52 1y3j n THR 13 Ca 0.00 -1.16 -0.39 0.00 -3.05 0.00 0.00 64.05 59.45 1y3j n THR 13 Cb 0.00 0.37 0.02 0.00 -1.55 0.00 0.00 70.33 69.17 1y3j n THR 13 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1y3j n ALA 15 N -0.48 1.21 -0.91 0.00 0.00 -1.26 -0.77 120.51 118.30 1y3j n ALA 15 Ca 0.07 -0.10 0.00 0.00 0.00 0.00 0.00 53.44 53.41 1y3j n ALA 15 Cb 0.44 -2.62 0.00 0.00 0.00 0.00 0.00 19.45 17.27 1y3j n ALA 15 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 1y3j n SER 16 N 10.23 -3.10 -0.29 0.00 7.64 -1.26 -4.84 113.62 122.00 1y3j n SER 16 Ca 0.39 0.00 0.05 0.00 1.01 0.00 0.00 58.87 60.32 1y3j n SER 16 Cb 0.27 -1.86 0.14 0.00 -1.01 0.00 0.00 64.21 61.74 1y3j n SER 16 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1y3j h VAL 18 N 0.03 1.43 -0.82 0.00 2.07 -1.84 -0.16 116.25 116.96 1y3j h VAL 18 Ca 0.42 -1.62 0.03 0.00 0.82 0.00 0.00 66.70 66.35 1y3j h VAL 18 Cb 0.70 2.29 -0.05 0.00 -1.52 0.00 0.00 31.29 32.71 1y3j h VAL 18 CO -0.81 0.46 0.52 0.00 0.02 0.00 0.00 177.57 177.77 1y3j h ALA 19 N 0.44 1.07 0.97 1.67 0.00 -1.83 0.62 119.26 122.22 1y3j h ALA 19 Ca -0.01 -0.03 -0.05 0.00 0.00 0.00 0.00 54.91 54.82 1y3j h ALA 19 Cb 0.86 -0.28 0.01 0.00 0.00 0.00 0.00 17.79 18.39 1y3j h ALA 19 CO 0.05 0.34 -0.47 -0.97 0.00 0.00 0.00 179.25 178.21 1y3j h ASN 20 N 1.02 -1.11 -0.73 0.00 -1.24 -0.36 0.11 115.58 113.27 1y3j h ASN 20 Ca 0.33 0.04 0.12 0.00 0.71 0.00 0.00 56.30 57.49 1y3j h ASN 20 Cb 0.01 0.29 -0.13 0.00 0.73 0.00 0.00 38.32 39.22 1y3j h ASN 20 CO -0.11 -0.79 -0.38 0.40 -1.29 0.00 0.00 177.43 175.26 1y3j h ILE 21 N -1.31 0.10 -0.26 2.57 2.04 -0.84 0.19 117.51 119.99 1y3j h ILE 21 Ca -0.13 0.00 0.05 0.00 1.00 0.00 0.00 64.86 65.78 1y3j h ILE 21 Cb 1.00 0.10 -0.05 0.00 -0.74 0.00 0.00 36.82 37.13 1y3j h ILE 21 CO 0.22 0.00 -0.07 -0.33 0.00 0.00 0.00 178.15 177.97 1y3j h GLU 22 N -0.12 -0.00 -0.56 2.37 4.39 -0.70 0.25 114.58 120.21 1y3j h GLU 22 Ca 0.26 0.00 0.11 0.00 0.34 0.00 0.00 59.36 60.07 1y3j h GLU 22 Cb 0.56 0.00 -0.10 0.00 -0.10 0.00 0.00 28.75 29.12 1y3j h GLU 22 CO -0.79 -0.00 -0.05 -0.09 -1.16 0.00 0.00 179.01 176.92 1y3j h ARG 23 N -0.00 0.07 0.18 2.33 1.12 0.14 -3.22 114.38 115.00 1y3j h ARG 23 Ca 0.13 -0.00 -0.01 0.00 -1.11 0.00 0.00 59.98 58.98 1y3j h ARG 23 Cb 0.20 -0.02 0.00 0.00 -0.01 0.00 0.00 29.97 30.14 1y3j h ARG 23 CO -0.27 0.05 -0.09 -0.91 -3.11 0.00 0.00 179.97 175.63 1y3j h ASN 24 N 0.07 -0.21 -0.06 -3.80 2.35 -0.21 -3.42 115.58 110.30 1y3j h ASN 24 Ca 0.28 0.01 -0.15 0.00 -0.55 0.00 0.00 56.30 55.88 1y3j h ASN 24 Cb 0.44 0.05 -0.01 0.00 0.05 0.00 0.00 38.32 38.86 1y3j h ASN 24 CO -0.51 0.24 -0.49 -0.07 -1.65 0.00 0.00 177.43 174.96 1y3j h LEU 25 N -1.03 0.68 0.00 1.61 -0.00 -0.53 -3.38 115.31 112.66 1y3j h LEU 25 Ca -0.02 -0.34 0.00 0.00 -0.00 0.00 0.00 57.88 57.52 1y3j h LEU 25 Cb 0.19 -0.19 0.00 0.00 -0.00 0.00 0.00 40.66 40.65 1y3j h LEU 25 CO 0.04 1.05 0.00 -2.11 -0.00 0.00 0.00 178.44 177.43 1y3j n ARG 26 N -3.99 0.00 -0.03 1.13 1.85 -1.22 -0.17 116.66 114.23 1y3j n ARG 26 Ca -0.03 0.06 -0.09 0.00 -1.00 0.00 0.00 57.85 56.79 1y3j n ARG 26 Cb 0.57 -0.09 -0.14 0.00 -1.05 0.00 0.00 32.46 31.75 1y3j n ARG 26 CO 0.00 0.00 0.00 2.89 -0.01 0.00 0.00 177.63 180.51 1y3j n ARG 27 N -1.37 0.64 -2.75 2.89 1.85 -1.26 -3.98 116.66 112.68 1y3j n ARG 27 Ca 0.00 0.24 -0.42 0.00 -1.00 0.00 0.00 57.85 56.68 1y3j n ARG 27 Cb 0.00 -1.75 -0.03 0.00 -1.05 0.00 0.00 32.46 29.63 1y3j n ARG 27 CO 0.00 0.00 0.00 -1.21 -0.01 0.00 0.00 177.63 176.41 1y3j s GLU 28 N -2.59 4.49 -1.11 2.89 0.41 0.76 -1.08 118.70 122.48 1y3j s GLU 28 Ca -0.06 1.32 -0.04 0.00 -0.41 0.00 0.00 54.97 55.79 1y3j s GLU 28 Cb 0.08 -3.49 -0.04 0.00 -1.78 0.00 0.00 34.13 28.90 1y3j s GLU 28 CO 0.83 -0.12 0.95 0.39 -0.49 0.00 0.00 175.26 176.82 1y3j n GLU 29 N 4.26 -4.07 -2.13 1.61 4.71 -1.26 -4.06 120.64 119.70 1y3j n GLU 29 Ca 0.06 0.86 -0.04 0.00 -0.01 0.00 0.00 57.16 58.03 1y3j n GLU 29 Cb 0.50 -5.85 -0.00 0.00 -1.01 0.00 0.00 31.44 25.08 1y3j n GLU 29 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 1y3j n GLY 30 N -1.19 0.24 3.89 0.62 0.00 -1.01 -4.55 105.19 103.19 1y3j n GLY 30 Ca -0.16 -0.70 -0.33 0.00 0.00 0.00 0.00 46.02 44.83 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 -2.28 5.20 -0.33 -0.61 1.01 -0.24 -0.24 121.20 123.72 1y3j s ILE 31 Ca 0.01 0.14 0.16 0.00 0.00 0.00 0.00 60.65 60.95 1y3j s ILE 31 Cb -0.00 -3.61 0.44 0.00 0.01 0.00 0.00 42.46 39.30 1y3j s ILE 31 CO 0.01 0.19 1.16 -1.22 0.00 0.00 0.00 174.94 175.08 1y3j n TYR 32 N 0.56 -0.21 -3.57 3.97 4.02 0.59 -4.14 117.16 118.37 1y3j n TYR 32 Ca -0.06 -2.31 -0.13 0.00 -0.01 0.00 0.00 57.90 55.40 1y3j n TYR 32 Cb 0.52 0.43 -0.06 0.00 -0.02 0.00 0.00 39.34 40.21 1y3j n TYR 32 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 176.86 176.30 1y3j s SER 33 N -2.48 -0.48 0.07 7.72 0.15 -0.95 -4.79 113.70 112.95 1y3j s SER 33 Ca 0.24 0.61 -0.27 0.00 0.70 0.00 0.00 55.95 57.22 1y3j s SER 33 Cb 0.42 0.51 -0.05 0.00 -1.71 0.00 0.00 66.02 65.19 1y3j s SER 33 CO -0.03 -0.38 0.86 0.27 1.20 0.00 0.00 173.24 175.16 1y3j s ILE 34 N -0.85 4.63 -1.55 6.45 -5.25 -1.26 -3.53 121.20 119.84 1y3j s ILE 34 Ca -0.03 1.85 -0.12 0.00 -0.99 0.00 0.00 60.65 61.36 1y3j s ILE 34 Cb -0.01 -4.22 -0.04 0.00 2.95 0.00 0.00 42.46 41.14 1y3j s ILE 34 CO 0.03 0.33 2.66 0.00 -1.79 0.00 0.00 174.94 176.17 1y3j n LEU 35 N 2.85 7.93 -3.93 0.37 -0.00 -1.24 -4.61 117.00 118.38 1y3j n LEU 35 Ca 0.00 -4.25 -0.20 0.00 -0.00 0.00 0.00 56.01 51.56 1y3j n LEU 35 Cb 0.50 -1.59 -0.16 0.00 -0.00 0.00 0.00 43.42 42.17 1y3j n LEU 35 CO 0.49 1.65 -0.42 -0.69 -0.00 0.00 0.00 177.39 178.43 1y3j s VAL 36 N 2.62 0.63 -0.42 1.47 1.01 -1.26 -3.76 120.40 120.69 1y3j s VAL 36 Ca 0.60 -0.21 0.06 0.00 0.00 0.00 0.00 61.98 62.43 1y3j s VAL 36 Cb 0.16 -0.62 0.20 0.00 0.00 0.00 0.00 36.38 36.12 1y3j s VAL 36 CO -0.07 0.23 0.42 0.00 0.00 0.00 0.00 175.10 175.68 1y3j n ALA 37 N 3.82 2.76 -0.36 5.51 0.00 0.60 -4.71 120.51 128.13 1y3j n ALA 37 Ca -0.23 -3.30 0.08 0.00 0.00 0.00 0.00 53.44 49.98 1y3j n ALA 37 Cb 0.52 -0.79 0.25 0.00 0.00 0.00 0.00 19.45 19.43 1y3j n ALA 37 CO 0.00 0.00 0.00 1.37 0.00 0.00 0.00 177.50 178.87 1y3j h LEU 38 N 5.01 0.91 -3.68 0.00 -0.00 -1.79 0.20 115.31 115.97 1y3j h LEU 38 Ca 0.19 0.05 -0.24 0.00 -0.00 0.00 0.00 57.88 57.88 1y3j h LEU 38 Cb 0.89 -0.13 -0.09 0.00 -0.00 0.00 0.00 40.66 41.32 1y3j h LEU 38 CO 0.43 0.48 0.12 0.80 -0.00 0.00 0.00 178.44 180.26 1y3j n MET 39 N -4.61 1.75 0.00 0.17 1.56 -1.26 -1.64 117.12 113.09 1y3j n MET 39 Ca 0.19 -1.17 0.00 0.00 -0.27 0.00 0.00 57.70 56.45 1y3j n MET 39 Cb 0.37 -1.64 0.00 0.00 2.15 0.00 0.00 33.22 34.10 1y3j n MET 39 CO 0.00 0.00 0.00 0.00 -0.73 0.00 0.00 175.97 175.24 1y3j n ALA 40 N 1.24 0.00 0.00 -5.12 0.00 -1.20 -5.06 120.51 110.37 1y3j n ALA 40 Ca 0.29 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.73 1y3j n ALA 40 Cb 0.63 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.08 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 -0.36 0.77 3.69 0.00 0.00 0.51 -5.09 105.19 104.71 1y3j n GLY 41 Ca 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.92 1y3j n GLY 41 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1y3j s LYS 42 N 0.47 1.92 -0.04 1.61 1.02 0.00 -4.64 119.74 120.08 1y3j s LYS 42 Ca 0.00 -1.39 -0.06 0.00 0.02 0.00 0.00 55.97 54.54 1y3j s LYS 42 Cb 0.00 0.54 0.01 0.00 -0.52 0.00 0.00 37.83 37.87 1y3j s LYS 42 CO 0.00 -0.85 0.14 0.00 -0.92 0.00 0.00 175.35 173.72 1y3j s ALA 43 N -3.17 -0.35 -0.33 5.17 0.00 -0.00 -0.29 121.76 122.79 1y3j s ALA 43 Ca 0.20 0.27 -0.01 0.00 0.00 0.00 0.00 51.96 52.42 1y3j s ALA 43 Cb -0.03 -0.15 0.11 0.00 0.00 0.00 0.00 23.12 23.05 1y3j s ALA 43 CO 0.12 -0.11 0.13 -1.83 0.00 0.00 0.00 175.76 174.08 1y3j s GLU 44 N -0.31 0.75 -0.36 0.00 -1.05 -1.25 -0.36 118.70 116.14 1y3j s GLU 44 Ca -0.04 -1.21 -0.28 0.00 -0.15 0.00 0.00 54.97 53.29 1y3j s GLU 44 Cb -0.03 -1.91 0.02 0.00 -0.44 0.00 0.00 34.13 31.77 1y3j s GLU 44 CO 0.00 -1.04 1.04 0.54 0.95 0.00 0.00 175.26 176.76 1y3j s VAL 45 N 1.39 4.48 -0.16 1.83 0.11 -0.85 -3.73 120.40 123.48 1y3j s VAL 45 Ca 0.12 1.52 -0.22 0.00 -2.93 0.00 0.00 61.98 60.46 1y3j s VAL 45 Cb -0.19 -4.42 -0.02 0.00 -1.53 0.00 0.00 36.38 30.22 1y3j s VAL 45 CO -0.20 -0.57 0.70 -0.60 -3.33 0.00 0.00 175.10 171.10 1y3j s ARG 46 N 3.72 4.28 0.28 1.54 3.52 -1.23 -1.44 118.95 129.62 1y3j s ARG 46 Ca 0.44 0.78 -0.19 0.00 -0.13 0.00 0.00 55.73 56.63 1y3j s ARG 46 Cb -0.11 -3.55 0.02 0.00 -1.56 0.00 0.00 34.95 29.74 1y3j s ARG 46 CO 0.19 -0.20 0.67 1.52 -0.81 0.00 0.00 175.30 176.67 1y3j s TYR 47 N 1.76 -0.04 -0.74 5.12 1.13 0.44 -0.30 117.35 124.72 1y3j s TYR 47 Ca 0.33 -0.41 -0.06 0.00 -1.41 0.00 0.00 57.07 55.52 1y3j s TYR 47 Cb -0.16 0.61 0.19 0.00 -1.10 0.00 0.00 41.96 41.49 1y3j s TYR 47 CO 0.12 -1.21 0.61 1.21 -2.51 0.00 0.00 175.55 173.76 1y3j s ASN 48 N -2.95 5.82 -0.86 -0.18 2.47 0.67 -0.70 114.94 119.20 1y3j s ASN 48 Ca 0.14 -2.99 -0.26 0.00 0.42 0.00 0.00 52.86 50.17 1y3j s ASN 48 Cb -0.05 -1.97 -0.14 0.00 -1.45 0.00 0.00 41.25 37.65 1y3j s ASN 48 CO 0.08 -0.38 2.29 -2.16 -3.72 0.00 0.00 177.10 173.20 1y3j s PRO 49 N -0.27 1.67 0.19 0.43 0.04 -1.26 -2.27 135.00 133.53 1y3j s PRO 49 Ca 0.19 0.19 0.00 0.00 0.04 0.00 0.00 61.00 61.43 1y3j s PRO 49 Cb -0.15 -4.87 0.00 0.00 0.04 0.00 0.00 34.50 29.52 1y3j s PRO 49 CO -0.06 -4.48 0.00 0.00 0.04 0.00 0.00 177.00 172.50 1y3j n ALA 50 N 18.14 0.00 0.21 8.56 0.00 -1.26 0.09 120.51 146.25 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 0.44 0.00 -0.07 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 0.52 0.00 0.00 2.07 -1.84 -3.41 116.25 113.59 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 0.52 0.00 0.00 -1.52 0.00 0.00 31.29 30.29 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 -5.36 0.00 0.00 4.57 0.13 -1.22 -5.02 119.36 112.46 1y3j n ILE 52 Ca -0.10 0.35 0.00 0.00 -1.10 0.00 0.00 62.75 61.90 1y3j n ILE 52 Cb 0.26 -1.25 0.00 0.00 -0.84 0.00 0.00 39.64 37.81 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 -1.99 0.00 -0.14 9.51 3.00 -1.26 -4.61 117.38 121.89 1y3j n GLN 53 Ca 0.00 0.00 -0.04 0.00 -0.01 0.00 0.00 57.00 56.95 1y3j n GLN 53 Cb 0.00 0.00 0.02 0.00 0.00 0.00 0.00 30.24 30.26 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 -0.06 -0.27 -1.09 0.11 -1.95 0.26 132.00 128.99 1y3j h PRO 54 Ca 0.00 0.00 0.06 0.00 0.11 0.00 0.00 66.00 66.18 1y3j h PRO 54 Cb 0.00 0.01 -0.08 0.00 0.11 0.00 0.00 31.00 31.05 1y3j h PRO 54 CO 0.00 -0.04 -0.30 -1.00 -0.21 0.00 0.00 178.00 176.45 1y3j h PRO 55 N -0.06 -0.29 -0.65 1.05 0.13 -1.98 -0.55 132.00 129.66 1y3j h PRO 55 Ca 0.21 0.02 -0.03 0.00 -0.87 0.00 0.00 66.00 65.33 1y3j h PRO 55 Cb 0.39 0.07 -0.03 0.00 0.13 0.00 0.00 31.00 31.55 1y3j h PRO 55 CO -0.49 -0.19 0.28 0.52 -0.23 0.00 0.00 178.00 177.89 1y3j h MET 56 N -0.30 0.94 -0.17 0.86 2.86 -1.28 0.25 114.93 118.10 1y3j h MET 56 Ca 0.14 -0.14 -0.08 0.00 -2.06 0.00 0.00 59.70 57.56 1y3j h MET 56 Cb 0.52 -0.17 -0.00 0.00 0.06 0.00 0.00 31.60 32.01 1y3j h MET 56 CO -0.44 0.75 -0.21 0.97 1.06 0.00 0.00 176.91 179.04 1y3j h ILE 57 N 0.93 1.35 -0.37 -1.22 2.10 -0.41 -0.03 117.51 119.84 1y3j h ILE 57 Ca 0.22 -1.41 0.03 0.00 1.08 0.00 0.00 64.86 64.78 1y3j h ILE 57 Cb 0.15 1.88 -0.02 0.00 -1.09 0.00 0.00 36.82 37.73 1y3j h ILE 57 CO -0.02 0.42 0.25 0.00 -1.08 0.00 0.00 178.15 177.72 1y3j h ALA 58 N 0.60 1.89 0.41 0.18 0.00 -0.39 -3.03 119.26 118.93 1y3j h ALA 58 Ca 0.02 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 54.89 1y3j h ALA 58 Cb 0.77 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.47 1y3j h ALA 58 CO 0.05 0.06 -0.20 0.93 0.00 0.00 0.00 179.25 180.09 1y3j h GLU 59 N 0.37 -0.54 -0.96 0.00 5.08 -0.38 -3.36 114.58 114.80 1y3j h GLU 59 Ca 0.15 0.04 0.28 0.00 -1.00 0.00 0.00 59.36 58.83 1y3j h GLU 59 Cb 0.16 0.12 -0.17 0.00 0.50 0.00 0.00 28.75 29.36 1y3j h GLU 59 CO -0.04 -0.36 0.14 0.35 -1.00 0.00 0.00 179.01 178.10 1y3j h PHE 60 N -1.14 0.15 0.09 4.33 3.57 -0.88 0.12 116.94 123.18 1y3j h PHE 60 Ca -0.06 0.06 0.01 0.00 3.53 0.00 0.00 57.97 61.52 1y3j h PHE 60 Cb 0.43 0.09 -0.02 0.00 2.79 0.00 0.00 35.95 39.24 1y3j h PHE 60 CO 0.00 -0.39 -0.15 0.82 -2.23 0.00 0.00 178.31 176.37 1y3j h ILE 61 N 0.05 0.65 -0.01 1.41 2.04 -1.71 -0.11 117.51 119.84 1y3j h ILE 61 Ca 0.61 0.00 -0.01 0.00 1.00 0.00 0.00 64.86 66.47 1y3j h ILE 61 Cb 1.32 0.65 0.00 0.00 -0.74 0.00 0.00 36.82 38.05 1y3j h ILE 61 CO -0.84 0.00 -0.02 0.08 0.00 0.00 0.00 178.15 177.37 1y3j h ARG 62 N -0.30 0.03 -0.48 2.37 0.11 -1.01 0.11 114.38 115.22 1y3j h ARG 62 Ca 0.02 -0.02 0.01 0.00 0.10 0.00 0.00 59.98 60.10 1y3j h ARG 62 Cb 0.31 0.00 -0.02 0.00 1.11 0.00 0.00 29.97 31.37 1y3j h ARG 62 CO -0.08 0.60 0.32 0.93 0.10 0.00 0.00 179.97 181.83 1y3j h GLU 63 N -0.54 0.59 0.05 0.08 3.07 -0.90 -1.73 114.58 115.20 1y3j h GLU 63 Ca 0.00 -0.04 -0.13 0.00 -0.50 0.00 0.00 59.36 58.70 1y3j h GLU 63 Cb 0.59 -0.13 -0.00 0.00 -0.84 0.00 0.00 28.75 28.37 1y3j h GLU 63 CO 0.00 0.39 -0.65 -0.07 -1.40 0.00 0.00 179.01 177.28 1y3j h LEU 64 N 0.61 0.15 0.00 1.33 3.38 -1.09 -3.47 115.31 116.23 1y3j h LEU 64 Ca 0.18 -0.87 0.00 0.00 0.09 0.00 0.00 57.88 57.28 1y3j h LEU 64 Cb -0.01 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 40.69 1y3j h LEU 64 CO -0.04 1.28 0.00 0.61 0.09 0.00 0.00 178.44 180.38 1y3j n GLY 65 N 1.61 0.21 1.40 0.83 0.00 0.37 -5.09 105.19 104.52 1y3j n GLY 65 Ca -0.18 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.84 1y3j n GLY 65 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1y3j n PHE 66 N 0.00 0.00 0.00 1.61 3.72 -0.72 -4.94 117.46 117.14 1y3j n PHE 66 Ca 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.40 1y3j n PHE 66 Cb 0.00 0.31 0.00 0.00 -0.94 0.00 0.00 39.48 38.85 1y3j n PHE 66 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1y3j n GLY 67 N 1.89 1.04 3.42 1.37 0.00 -1.26 -4.84 105.19 106.80 1y3j n GLY 67 Ca 0.00 0.56 -0.11 0.00 0.00 0.00 0.00 46.02 46.47 1y3j n GLY 67 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1y3j s ALA 68 N 0.00 -1.17 -0.05 4.61 0.00 -1.26 -0.59 121.76 123.30 1y3j s ALA 68 Ca 0.00 0.09 -0.21 0.00 0.00 0.00 0.00 51.96 51.84 1y3j s ALA 68 Cb 0.00 0.80 0.04 0.00 0.00 0.00 0.00 23.12 23.97 1y3j s ALA 68 CO 0.00 -0.74 0.47 0.99 0.00 0.00 0.00 175.76 176.48 1y3j s THR 69 N -3.81 0.03 0.27 0.00 2.01 -0.01 -4.92 115.64 109.21 1y3j s THR 69 Ca 0.04 -0.24 -0.24 0.00 0.31 0.00 0.00 61.69 61.56 1y3j s THR 69 Cb -0.00 -0.76 -0.09 0.00 0.01 0.00 0.00 72.50 71.65 1y3j s THR 69 CO -0.10 -0.13 0.85 0.54 -0.69 0.00 0.00 174.62 175.10 1y3j s VAL 70 N -1.05 4.34 -0.01 3.82 0.11 -1.26 -0.41 120.40 125.94 1y3j s VAL 70 Ca -0.11 1.65 0.03 0.00 -2.93 0.00 0.00 61.98 60.62 1y3j s VAL 70 Cb -0.03 -3.99 -0.01 0.00 -1.53 0.00 0.00 36.38 30.82 1y3j s VAL 70 CO 0.06 0.22 -0.09 -0.63 -3.33 0.00 0.00 175.10 171.33 1y3j s ILE 71 N -1.52 0.71 0.15 7.04 -1.09 0.31 -4.85 121.20 121.94 1y3j s ILE 71 Ca 0.46 -0.39 -0.19 0.00 -2.23 0.00 0.00 60.65 58.29 1y3j s ILE 71 Cb -0.19 -0.59 0.05 0.00 -1.58 0.00 0.00 42.46 40.15 1y3j s ILE 71 CO 0.24 0.19 0.50 -1.83 -1.23 0.00 0.00 174.94 172.81 1y3j s GLU 72 N -0.23 1.19 -0.83 2.79 -1.05 -1.26 -2.06 118.70 117.24 1y3j s GLU 72 Ca 0.03 -0.62 -0.18 0.00 -0.15 0.00 0.00 54.97 54.05 1y3j s GLU 72 Cb -0.04 0.53 0.14 0.00 -0.44 0.00 0.00 34.13 34.32 1y3j s GLU 72 CO -0.00 -0.50 0.98 -0.80 0.95 0.00 0.00 175.26 175.90 1y3j s ASN 73 N -2.79 6.54 0.49 0.83 -0.87 -1.26 -5.03 114.94 112.85 1y3j s ASN 73 Ca 0.03 -1.96 -0.22 0.00 -1.57 0.00 0.00 52.86 49.14 1y3j s ASN 73 Cb 0.00 -2.35 -0.08 0.00 -0.02 0.00 0.00 41.25 38.80 1y3j s ASN 73 CO -0.12 -1.03 1.07 0.00 -2.57 0.00 0.00 177.10 174.46 1y3j n ILE 74 N 5.28 3.00 -3.88 0.60 0.13 -1.26 -5.04 119.36 118.19 1y3j n ILE 74 Ca 0.14 -0.50 -0.09 0.00 -1.10 0.00 0.00 62.75 61.21 1y3j n ILE 74 Cb 0.47 -1.28 -0.07 0.00 -0.84 0.00 0.00 39.64 37.92 1y3j n ILE 74 CO 0.00 0.00 0.00 -0.70 2.80 0.00 0.00 176.55 178.65 1y3j s GLU 75 N -2.38 0.86 0.00 9.51 2.56 -1.26 -5.16 118.70 122.83 1y3j s GLU 75 Ca 0.68 -1.00 0.00 0.00 0.00 0.00 0.00 54.97 54.65 1y3j s GLU 75 Cb -0.49 0.34 0.00 0.00 2.00 0.00 0.00 34.13 35.98 1y3j s GLU 75 CO 0.53 -0.27 0.00 0.41 -0.56 0.00 0.00 175.26 175.37 1y3j n GLY 76 N -0.06 3.57 0.00 -1.50 0.00 -1.26 -5.32 105.19 100.62 1y3j n GLY 76 Ca -0.14 -0.25 0.00 0.00 0.00 0.00 0.00 46.02 45.63 1y3j n GLY 76 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86