#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 3.24 0.30 6.41 1.04 -1.26 -4.15 113.70 119.29 1y3j s SER 2 Ca 0.00 2.06 -0.07 0.00 0.48 0.00 0.00 55.95 58.42 1y3j s SER 2 Cb 0.00 -2.54 0.00 0.00 0.10 0.00 0.00 66.02 63.58 1y3j s SER 2 CO 0.00 -2.88 0.47 -0.44 0.98 0.00 0.00 173.24 171.37 1y3j s SER 3 N -2.86 0.43 -0.02 7.02 0.01 0.37 -4.94 113.70 113.69 1y3j s SER 3 Ca 0.65 -1.25 -0.04 0.00 1.31 0.00 0.00 55.95 56.62 1y3j s SER 3 Cb -0.21 0.63 0.00 0.00 0.21 0.00 0.00 66.02 66.65 1y3j s SER 3 CO 0.58 -1.23 0.09 -1.59 0.41 0.00 0.00 173.24 171.49 1y3j s LYS 4 N -3.44 0.20 0.04 12.44 -2.85 -1.26 -0.72 119.74 124.14 1y3j s LYS 4 Ca 0.27 -0.04 -0.01 0.00 -1.00 0.00 0.00 55.97 55.19 1y3j s LYS 4 Cb -0.00 0.09 -0.03 0.00 -2.06 0.00 0.00 37.83 35.82 1y3j s LYS 4 CO 0.15 -0.03 -0.01 0.00 0.10 0.00 0.00 175.35 175.55 1y3j s TYR 6 N -2.85 3.76 0.23 0.00 2.02 0.49 -1.96 117.35 119.05 1y3j s TYR 6 Ca -0.03 -2.87 -0.30 0.00 -0.37 0.00 0.00 57.07 53.51 1y3j s TYR 6 Cb 0.00 -3.29 -0.09 0.00 -0.40 0.00 0.00 41.96 38.19 1y3j s TYR 6 CO -0.06 -0.79 0.98 0.42 -1.57 0.00 0.00 175.55 174.53 1y3j s ILE 7 N -0.90 3.99 -0.13 2.71 1.01 0.64 -2.95 121.20 125.58 1y3j s ILE 7 Ca 0.24 1.94 -0.05 0.00 0.00 0.00 0.00 60.65 62.78 1y3j s ILE 7 Cb -0.11 -4.24 -0.04 0.00 0.01 0.00 0.00 42.46 38.09 1y3j s ILE 7 CO -0.09 0.44 0.05 0.00 0.00 0.00 0.00 174.94 175.33 1y3j s GLN 8 N -1.03 3.46 -0.22 2.79 -2.07 -0.28 -0.43 119.66 121.88 1y3j s GLN 8 Ca 0.43 -0.34 -0.02 0.00 -1.82 0.00 0.00 55.36 53.62 1y3j s GLN 8 Cb -0.27 -3.02 0.06 0.00 -1.09 0.00 0.00 33.01 28.69 1y3j s GLN 8 CO 0.34 0.54 0.01 0.08 -1.32 0.00 0.00 175.29 174.94 1y3j s VAL 9 N -0.40 0.87 -0.52 3.63 1.01 -1.26 -0.91 120.40 122.82 1y3j s VAL 9 Ca 0.09 -0.85 -0.26 0.00 0.00 0.00 0.00 61.98 60.95 1y3j s VAL 9 Cb -0.12 -1.34 -0.07 0.00 0.00 0.00 0.00 36.38 34.85 1y3j s VAL 9 CO 0.02 -0.23 2.40 0.42 0.00 0.00 0.00 175.10 177.71 1y3j s THR 10 N 1.69 3.01 0.00 3.92 -4.23 -0.17 -1.03 115.64 118.83 1y3j s THR 10 Ca -0.01 0.01 0.00 0.00 -1.18 0.00 0.00 61.69 60.50 1y3j s THR 10 Cb -0.18 -3.03 0.00 0.00 1.34 0.00 0.00 72.50 70.63 1y3j s THR 10 CO -0.09 -0.03 0.00 0.61 -0.54 0.00 0.00 174.62 174.57 1y3j n GLY 11 N 6.07 1.91 5.00 3.99 0.00 -1.26 -3.91 105.19 116.99 1y3j n GLY 11 Ca 0.37 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.39 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 -0.16 0.00 0.00 1.61 0.00 -0.19 -4.08 117.12 114.29 1y3j n MET 12 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57.70 57.70 1y3j n MET 12 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33.22 33.22 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 0.00 -2.61 2.03 5.66 -1.26 -4.84 114.28 113.26 1y3j n THR 13 Ca 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.00 1y3j n THR 13 Cb 0.00 0.00 0.04 0.00 -1.55 0.00 0.00 70.33 68.82 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 -0.35 -2.43 0.00 0.00 0.00 -1.26 -4.81 120.51 111.66 1y3j n ALA 15 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.43 1y3j n ALA 15 Cb 0.91 -0.47 0.00 0.00 0.00 0.00 0.00 19.45 19.89 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 -0.61 0.00 -0.13 0.00 7.64 -1.26 -4.61 113.62 114.65 1y3j n SER 16 Ca 0.00 0.00 0.28 0.00 1.01 0.00 0.00 58.87 60.16 1y3j n SER 16 Cb 0.00 0.00 0.72 0.00 -1.01 0.00 0.00 64.21 63.92 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 0.00 0.12 -0.88 0.00 -1.51 -1.94 0.21 116.25 112.25 1y3j h VAL 18 Ca 0.39 -0.04 0.09 0.00 -1.23 0.00 0.00 66.70 65.91 1y3j h VAL 18 Cb 1.72 -0.01 -0.07 0.00 -2.13 0.00 0.00 31.29 30.80 1y3j h VAL 18 CO -0.00 0.02 0.53 0.00 -1.23 0.00 0.00 177.57 176.88 1y3j h ALA 19 N 1.94 1.25 0.18 5.19 0.00 -1.16 0.53 119.26 127.19 1y3j h ALA 19 Ca 0.76 0.02 -0.01 0.00 0.00 0.00 0.00 54.91 55.68 1y3j h ALA 19 Cb 1.86 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 19.47 1y3j h ALA 19 CO -0.73 0.19 -0.09 -0.97 0.00 0.00 0.00 179.25 177.65 1y3j h ASN 20 N 0.90 -0.21 0.57 0.00 -1.24 -0.83 -3.22 115.58 111.55 1y3j h ASN 20 Ca 0.41 -0.04 -0.03 0.00 0.71 0.00 0.00 56.30 57.35 1y3j h ASN 20 Cb 0.33 0.05 0.01 0.00 0.73 0.00 0.00 38.32 39.44 1y3j h ASN 20 CO -0.23 -0.09 -0.27 0.40 -1.29 0.00 0.00 177.43 175.95 1y3j h ILE 21 N -0.30 0.34 -0.87 2.57 2.04 0.51 -2.30 117.51 119.50 1y3j h ILE 21 Ca -0.02 -0.30 0.23 0.00 1.00 0.00 0.00 64.86 65.76 1y3j h ILE 21 Cb 0.23 0.44 -0.15 0.00 -0.74 0.00 0.00 36.82 36.61 1y3j h ILE 21 CO 0.04 0.04 0.15 -0.33 0.00 0.00 0.00 178.15 178.05 1y3j h GLU 22 N -0.98 0.14 -0.28 2.37 4.39 -0.23 0.99 114.58 120.98 1y3j h GLU 22 Ca -0.08 -0.01 0.01 0.00 0.34 0.00 0.00 59.36 59.63 1y3j h GLU 22 Cb 0.65 -0.03 -0.02 0.00 -0.10 0.00 0.00 28.75 29.25 1y3j h GLU 22 CO 0.13 0.09 0.16 -0.09 -1.16 0.00 0.00 179.01 178.14 1y3j h ARG 23 N 0.15 0.32 0.00 2.33 2.43 -1.53 -0.26 114.38 117.81 1y3j h ARG 23 Ca 0.53 -0.02 -0.01 0.00 -0.81 0.00 0.00 59.98 59.68 1y3j h ARG 23 Cb 1.06 -0.07 -0.00 0.00 -0.42 0.00 0.00 29.97 30.54 1y3j h ARG 23 CO -0.71 0.21 -0.03 -0.97 -1.51 0.00 0.00 179.97 176.96 1y3j h ASN 24 N 0.33 0.00 0.20 -3.80 -1.24 0.13 -0.06 115.58 111.13 1y3j h ASN 24 Ca 0.11 0.00 -0.01 0.00 0.71 0.00 0.00 56.30 57.11 1y3j h ASN 24 Cb 0.00 0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.06 1y3j h ASN 24 CO -0.06 0.03 -0.09 -0.07 -1.29 0.00 0.00 177.43 175.95 1y3j h LEU 25 N 0.00 -0.22 -1.68 0.34 3.38 0.72 -3.36 115.31 114.49 1y3j h LEU 25 Ca -0.00 0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.98 1y3j h LEU 25 Cb 0.17 0.06 0.00 0.00 0.09 0.00 0.00 40.66 40.98 1y3j h LEU 25 CO 0.00 0.22 0.00 0.03 0.09 0.00 0.00 178.44 178.78 1y3j h ARG 26 N -1.02 0.00 -0.99 1.13 3.08 -0.89 0.92 114.38 116.61 1y3j h ARG 26 Ca -0.03 0.00 0.16 0.00 0.07 0.00 0.00 59.98 60.18 1y3j h ARG 26 Cb 0.20 0.00 -0.16 0.00 0.08 0.00 0.00 29.97 30.09 1y3j h ARG 26 CO 0.04 0.00 -0.36 0.54 -1.07 0.00 0.00 179.97 179.12 1y3j n ARG 27 N -2.71 -0.20 -3.78 0.04 5.12 -0.05 -4.95 116.66 110.11 1y3j n ARG 27 Ca -0.00 1.52 -0.03 0.00 -1.93 0.00 0.00 57.85 57.42 1y3j n ARG 27 Cb 0.17 -2.27 -0.00 0.00 -1.16 0.00 0.00 32.46 29.20 1y3j n ARG 27 CO 0.00 0.00 0.00 -1.83 -1.93 0.00 0.00 177.63 173.87 1y3j s GLU 28 N -5.99 1.12 -0.13 5.56 -1.05 0.32 -5.02 118.70 113.50 1y3j s GLU 28 Ca -0.14 -0.66 -0.01 0.00 -0.15 0.00 0.00 54.97 54.01 1y3j s GLU 28 Cb 0.21 0.35 -0.01 0.00 -0.44 0.00 0.00 34.13 34.25 1y3j s GLU 28 CO 0.72 -0.52 0.11 -1.91 0.95 0.00 0.00 175.26 174.61 1y3j n GLU 29 N -0.56 -0.40 -2.18 -4.83 4.07 -1.26 -3.97 120.64 111.51 1y3j n GLU 29 Ca -0.05 0.11 -0.18 0.00 -0.06 0.00 0.00 57.16 56.97 1y3j n GLU 29 Cb 0.60 -2.23 -0.03 0.00 -0.06 0.00 0.00 31.44 29.73 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 -1.36 0.08 3.77 8.31 0.00 -1.26 -4.61 105.19 110.11 1y3j n GLY 30 Ca -0.01 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.62 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 -2.81 4.82 -0.32 -0.61 -1.09 -1.25 -0.15 121.20 119.79 1y3j s ILE 31 Ca 0.00 1.31 0.17 0.00 -2.23 0.00 0.00 60.65 59.90 1y3j s ILE 31 Cb 0.00 -3.95 0.46 0.00 -1.58 0.00 0.00 42.46 37.38 1y3j s ILE 31 CO 0.00 0.45 1.04 -1.22 -1.23 0.00 0.00 174.94 173.98 1y3j n TYR 32 N 2.43 0.63 -3.75 3.97 4.01 0.27 -4.87 117.16 119.85 1y3j n TYR 32 Ca -0.07 -2.56 -0.08 0.00 -0.16 0.00 0.00 57.90 55.02 1y3j n TYR 32 Cb 0.51 -0.06 0.03 0.00 -0.31 0.00 0.00 39.34 39.51 1y3j n TYR 32 CO 0.00 0.00 0.00 0.45 -0.46 0.00 0.00 176.86 176.85 1y3j n SER 33 N -0.24 -2.14 -5.02 7.72 2.88 -1.03 -4.68 113.62 111.11 1y3j n SER 33 Ca 0.07 -2.47 -0.18 0.00 -1.33 0.00 0.00 58.87 54.96 1y3j n SER 33 Cb 0.82 3.56 0.03 0.00 -0.75 0.00 0.00 64.21 67.87 1y3j n SER 33 CO 0.00 0.00 0.00 0.27 -1.23 0.00 0.00 175.04 174.08 1y3j s ILE 34 N -2.15 2.72 -0.40 2.46 -0.00 -1.26 -4.46 121.20 118.10 1y3j s ILE 34 Ca 0.15 -1.00 0.10 0.00 -0.00 0.00 0.00 60.65 59.90 1y3j s ILE 34 Cb -0.05 -2.73 0.32 0.00 -0.00 0.00 0.00 42.46 40.01 1y3j s ILE 34 CO 0.11 0.00 0.69 0.00 -0.00 0.00 0.00 174.94 175.74 1y3j n LEU 35 N -1.97 1.06 -3.99 0.37 -0.00 -1.24 -4.13 117.00 107.11 1y3j n LEU 35 Ca 0.10 -5.00 -0.23 0.00 -0.00 0.00 0.00 56.01 50.88 1y3j n LEU 35 Cb 0.60 0.54 -0.17 0.00 -0.00 0.00 0.00 43.42 44.40 1y3j n LEU 35 CO 0.39 2.23 -0.45 -0.69 -0.00 0.00 0.00 177.39 178.87 1y3j s VAL 36 N -2.26 0.97 -0.49 1.47 1.01 -1.26 -3.33 120.40 116.51 1y3j s VAL 36 Ca 0.39 -0.38 0.08 0.00 0.00 0.00 0.00 61.98 62.08 1y3j s VAL 36 Cb 0.29 -0.91 0.32 0.00 0.00 0.00 0.00 36.38 36.08 1y3j s VAL 36 CO -0.09 0.32 0.78 0.00 0.00 0.00 0.00 175.10 176.11 1y3j n ALA 37 N 3.90 3.30 0.18 5.51 0.00 0.82 -4.60 120.51 129.62 1y3j n ALA 37 Ca -0.23 -4.06 0.05 0.00 0.00 0.00 0.00 53.44 49.21 1y3j n ALA 37 Cb 0.51 -0.84 0.52 0.00 0.00 0.00 0.00 19.45 19.64 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 3.31 0.13 -1.18 0.00 6.46 -1.95 0.16 115.31 122.23 1y3j h LEU 38 Ca 0.12 -0.01 0.30 0.00 -0.12 0.00 0.00 57.88 58.17 1y3j h LEU 38 Cb 0.75 -0.03 -0.12 0.00 -0.73 0.00 0.00 40.66 40.52 1y3j h LEU 38 CO 0.65 0.18 0.65 0.00 -0.62 0.00 0.00 178.44 179.31 1y3j h MET 39 N 0.14 0.37 0.01 1.25 -0.00 -1.93 -2.78 114.93 112.00 1y3j h MET 39 Ca 0.03 -0.02 -0.34 0.00 -0.00 0.00 0.00 59.70 59.37 1y3j h MET 39 Cb 0.15 -0.08 -0.05 0.00 -0.00 0.00 0.00 31.60 31.62 1y3j h MET 39 CO 0.01 0.25 -1.87 0.00 -0.00 0.00 0.00 176.91 175.29 1y3j n ALA 40 N -2.39 0.98 0.00 -3.00 0.00 0.17 -5.03 120.51 111.24 1y3j n ALA 40 Ca 0.29 -0.75 0.00 0.00 0.00 0.00 0.00 53.44 52.98 1y3j n ALA 40 Cb 0.95 -0.30 0.00 0.00 0.00 0.00 0.00 19.45 20.09 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 1.49 0.94 3.47 0.00 0.00 0.31 -5.14 105.19 106.26 1y3j n GLY 41 Ca -0.41 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.47 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 0.13 1.80 -0.16 1.61 1.02 -1.04 -4.47 119.74 118.63 1y3j s LYS 42 Ca 0.00 -1.69 -0.04 0.00 0.02 0.00 0.00 55.97 54.26 1y3j s LYS 42 Cb 0.00 0.43 0.07 0.00 -0.52 0.00 0.00 37.83 37.80 1y3j s LYS 42 CO 0.00 -0.73 0.14 0.00 -0.92 0.00 0.00 175.35 173.83 1y3j s ALA 43 N -3.29 0.10 -0.87 5.17 0.00 0.43 -0.13 121.76 123.17 1y3j s ALA 43 Ca 0.30 0.05 -0.08 0.00 0.00 0.00 0.00 51.96 52.24 1y3j s ALA 43 Cb 0.00 -1.05 0.22 0.00 0.00 0.00 0.00 23.12 22.29 1y3j s ALA 43 CO 0.18 -1.03 0.78 -2.00 0.00 0.00 0.00 175.76 173.70 1y3j s GLU 44 N 2.22 3.46 0.40 0.00 2.12 -1.21 -0.26 118.70 125.42 1y3j s GLU 44 Ca 0.04 -2.84 -0.19 0.00 0.36 0.00 0.00 54.97 52.34 1y3j s GLU 44 Cb -0.15 -4.21 -0.10 0.00 0.26 0.00 0.00 34.13 29.93 1y3j s GLU 44 CO -0.09 -1.25 0.88 0.54 -0.54 0.00 0.00 175.26 174.81 1y3j s VAL 45 N -0.57 4.48 -0.11 3.70 0.11 -0.83 -3.66 120.40 123.53 1y3j s VAL 45 Ca 0.23 1.32 0.04 0.00 -2.93 0.00 0.00 61.98 60.64 1y3j s VAL 45 Cb -0.12 -3.60 0.00 0.00 -1.53 0.00 0.00 36.38 31.13 1y3j s VAL 45 CO -0.08 -0.28 -0.24 -0.60 -3.33 0.00 0.00 175.10 170.57 1y3j s ARG 46 N -3.12 3.05 0.16 1.54 3.52 -1.26 -0.77 118.95 122.07 1y3j s ARG 46 Ca 0.60 -0.87 -0.12 0.00 -0.13 0.00 0.00 55.73 55.20 1y3j s ARG 46 Cb -0.09 -2.32 0.01 0.00 -1.56 0.00 0.00 34.95 30.98 1y3j s ARG 46 CO 0.14 0.16 0.35 1.52 -0.81 0.00 0.00 175.30 176.67 1y3j s TYR 47 N 0.40 0.18 -0.66 5.12 1.13 0.10 -0.56 117.35 123.05 1y3j s TYR 47 Ca -0.17 -0.54 -0.05 0.00 -1.41 0.00 0.00 57.07 54.89 1y3j s TYR 47 Cb -0.18 0.10 0.17 0.00 -1.10 0.00 0.00 41.96 40.95 1y3j s TYR 47 CO 0.08 -0.76 0.50 1.21 -2.51 0.00 0.00 175.55 174.07 1y3j s ASN 48 N -2.92 5.54 -1.16 -0.18 2.47 0.79 -0.48 114.94 119.00 1y3j s ASN 48 Ca 0.13 -2.82 -0.23 0.00 0.42 0.00 0.00 52.86 50.36 1y3j s ASN 48 Cb 0.02 -1.93 -0.10 0.00 -1.45 0.00 0.00 41.25 37.80 1y3j s ASN 48 CO -0.03 -0.41 1.94 -0.81 -3.72 0.00 0.00 177.10 174.07 1y3j n PRO 49 N 3.59 1.56 0.00 0.43 -0.04 -1.26 -2.07 135.00 137.21 1y3j n PRO 49 Ca 0.09 -2.42 0.00 0.00 -0.04 0.00 0.00 63.50 61.13 1y3j n PRO 49 Cb 0.40 -3.68 0.00 0.00 -0.04 0.00 0.00 33.50 30.17 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 14.07 0.00 0.06 0.55 0.00 -1.26 -4.63 120.51 129.31 1y3j n ALA 50 Ca 0.45 0.00 -0.03 0.00 0.00 0.00 0.00 53.44 53.87 1y3j n ALA 50 Cb 0.46 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 19.90 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 -1.81 -3.45 116.25 113.06 1y3j h VAL 51 Ca 0.00 -0.07 -0.05 0.00 0.82 0.00 0.00 66.70 67.40 1y3j h VAL 51 Cb 0.00 0.00 -0.01 0.00 -1.52 0.00 0.00 31.29 29.76 1y3j h VAL 51 CO 0.00 0.00 -0.60 -0.29 0.02 0.00 0.00 177.57 176.70 1y3j h ILE 52 N -0.24 0.26 0.00 4.57 2.10 -1.73 -3.50 117.51 118.96 1y3j h ILE 52 Ca -0.02 -1.30 0.00 0.00 1.08 0.00 0.00 64.86 64.62 1y3j h ILE 52 Cb 0.13 0.59 0.00 0.00 -1.09 0.00 0.00 36.82 36.45 1y3j h ILE 52 CO 0.03 0.09 0.00 0.00 -1.08 0.00 0.00 178.15 177.19 1y3j n GLN 53 N -4.60 0.00 -0.31 2.19 3.00 -1.26 -4.34 117.38 112.06 1y3j n GLN 53 Ca -0.12 0.00 0.06 0.00 -0.01 0.00 0.00 57.00 56.94 1y3j n GLN 53 Cb 0.33 0.00 0.14 0.00 0.00 0.00 0.00 30.24 30.71 1y3j n GLN 53 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.06 174.76 1y3j n PRO 54 N -0.06 -0.08 -0.18 -1.09 -0.02 -1.26 -0.57 135.00 131.75 1y3j n PRO 54 Ca 0.00 1.35 -0.11 0.00 -2.02 0.00 0.00 63.50 62.72 1y3j n PRO 54 Cb 0.00 -2.03 -0.08 0.00 -0.02 0.00 0.00 33.50 31.37 1y3j n PRO 54 CO 0.00 0.00 0.00 -1.00 1.98 0.00 0.00 175.50 176.48 1y3j h PRO 55 N 0.00 -0.22 -0.82 0.52 0.13 -2.00 -2.59 132.00 127.01 1y3j h PRO 55 Ca 0.43 0.01 0.01 0.00 -0.87 0.00 0.00 66.00 65.58 1y3j h PRO 55 Cb 0.70 0.05 -0.04 0.00 0.13 0.00 0.00 31.00 31.84 1y3j h PRO 55 CO -0.89 -0.15 0.54 0.52 -0.23 0.00 0.00 178.00 177.80 1y3j h MET 56 N -0.23 1.08 -0.97 0.86 2.86 -1.03 0.12 114.93 117.63 1y3j h MET 56 Ca 0.08 -0.07 0.09 0.00 -2.06 0.00 0.00 59.70 57.74 1y3j h MET 56 Cb 0.44 -0.24 -0.08 0.00 0.06 0.00 0.00 31.60 31.78 1y3j h MET 56 CO -0.57 0.72 0.61 -0.84 1.06 0.00 0.00 176.91 177.90 1y3j h ILE 57 N 1.11 0.99 0.27 -1.22 3.07 -1.01 -1.14 117.51 119.58 1y3j h ILE 57 Ca 0.30 -0.36 -0.01 0.00 1.55 0.00 0.00 64.86 66.34 1y3j h ILE 57 Cb -0.12 -0.14 0.00 0.00 -0.27 0.00 0.00 36.82 36.30 1y3j h ILE 57 CO -0.06 0.19 -0.13 0.00 -1.05 0.00 0.00 178.15 177.10 1y3j h ALA 58 N 1.49 -0.36 -0.40 0.16 0.00 -1.05 -3.39 119.26 115.70 1y3j h ALA 58 Ca 0.45 -0.20 -0.06 0.00 0.00 0.00 0.00 54.91 55.11 1y3j h ALA 58 Cb 0.33 0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.24 1y3j h ALA 58 CO -0.22 -0.44 0.01 0.93 0.00 0.00 0.00 179.25 179.53 1y3j h GLU 59 N -0.88 0.64 -0.90 0.00 5.08 0.11 0.12 114.58 118.74 1y3j h GLU 59 Ca -0.04 -0.15 0.16 0.00 -1.00 0.00 0.00 59.36 58.34 1y3j h GLU 59 Cb 0.51 -0.09 -0.07 0.00 0.50 0.00 0.00 28.75 29.60 1y3j h GLU 59 CO 0.06 0.65 0.58 0.74 -1.00 0.00 0.00 179.01 180.04 1y3j h PHE 60 N 0.61 0.77 -0.18 4.33 0.04 -1.45 0.74 116.94 121.79 1y3j h PHE 60 Ca 0.13 0.02 -0.11 0.00 2.80 0.00 0.00 57.97 60.81 1y3j h PHE 60 Cb 0.37 -0.24 -0.01 0.00 2.20 0.00 0.00 35.95 38.27 1y3j h PHE 60 CO 0.02 0.25 -0.38 0.82 -0.60 0.00 0.00 178.31 178.42 1y3j h ILE 61 N 0.62 1.30 0.07 -0.55 2.04 -0.97 0.65 117.51 120.68 1y3j h ILE 61 Ca 0.46 -1.49 -0.00 0.00 1.00 0.00 0.00 64.86 64.83 1y3j h ILE 61 Cb 0.85 1.57 0.00 0.00 -0.74 0.00 0.00 36.82 38.50 1y3j h ILE 61 CO -0.21 0.46 -0.04 0.03 0.00 0.00 0.00 178.15 178.39 1y3j h ARG 62 N 0.33 -0.10 -0.72 2.37 3.08 -0.73 0.60 114.38 119.22 1y3j h ARG 62 Ca 0.03 0.01 0.09 0.00 0.07 0.00 0.00 59.98 60.18 1y3j h ARG 62 Cb 0.82 0.02 -0.05 0.00 0.08 0.00 0.00 29.97 30.84 1y3j h ARG 62 CO 0.07 -0.00 0.47 0.93 -1.07 0.00 0.00 179.97 180.37 1y3j h GLU 63 N -0.17 0.63 0.00 0.04 5.08 -0.49 0.15 114.58 119.82 1y3j h GLU 63 Ca -0.01 -0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.31 1y3j h GLU 63 Cb 0.14 -0.14 0.00 0.00 0.50 0.00 0.00 28.75 29.25 1y3j h GLU 63 CO 0.02 0.42 0.00 -0.07 -1.00 0.00 0.00 179.01 178.37 1y3j h LEU 64 N 0.65 0.00 0.00 1.33 3.38 -0.60 -3.47 115.31 116.60 1y3j h LEU 64 Ca 0.33 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.30 1y3j h LEU 64 Cb 0.42 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.17 1y3j h LEU 64 CO -0.11 0.00 0.00 0.61 0.09 0.00 0.00 178.44 179.03 1y3j n GLY 65 N 0.87 0.64 3.19 0.83 0.00 0.51 -5.07 105.19 106.16 1y3j n GLY 65 Ca 0.04 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.75 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 2.39 -0.84 1.61 0.08 0.02 -4.89 117.98 116.35 1y3j s PHE 66 Ca 0.00 -0.98 -0.25 0.00 0.12 0.00 0.00 56.93 55.82 1y3j s PHE 66 Cb 0.00 -1.62 -0.04 0.00 -0.57 0.00 0.00 43.02 40.79 1y3j s PHE 66 CO 0.00 -0.41 1.94 0.20 -0.10 0.00 0.00 175.22 176.85 1y3j s GLY 67 N 0.41 0.16 -0.03 4.36 0.00 -1.25 -2.68 107.32 108.29 1y3j s GLY 67 Ca -0.18 -1.33 -0.16 0.00 0.00 0.00 0.00 44.72 43.05 1y3j s GLY 67 CO 0.08 3.49 0.44 0.00 0.00 0.00 0.00 173.10 177.11 1y3j s ALA 68 N 9.98 3.63 0.02 3.20 0.00 -1.26 -1.00 121.76 136.32 1y3j s ALA 68 Ca 0.70 -0.19 0.03 0.00 0.00 0.00 0.00 51.96 52.50 1y3j s ALA 68 Cb -0.08 -2.48 -0.01 0.00 0.00 0.00 0.00 23.12 20.55 1y3j s ALA 68 CO 0.04 0.34 -0.09 -0.08 0.00 0.00 0.00 175.76 175.97 1y3j s THR 69 N -0.61 0.66 -0.15 0.00 -1.32 -0.08 -4.75 115.64 109.38 1y3j s THR 69 Ca 0.25 -0.68 -0.16 0.00 -1.21 0.00 0.00 61.69 59.88 1y3j s THR 69 Cb -0.17 -0.62 -0.04 0.00 -1.51 0.00 0.00 72.50 70.16 1y3j s THR 69 CO 0.13 -0.04 0.38 0.54 -2.21 0.00 0.00 174.62 173.42 1y3j s VAL 70 N -0.68 5.25 -0.04 5.08 0.11 -1.26 -1.13 120.40 127.73 1y3j s VAL 70 Ca -0.01 0.74 -0.00 0.00 -2.93 0.00 0.00 61.98 59.77 1y3j s VAL 70 Cb -0.06 -3.72 0.03 0.00 -1.53 0.00 0.00 36.38 31.10 1y3j s VAL 70 CO 0.00 0.35 0.01 -0.63 -3.33 0.00 0.00 175.10 171.50 1y3j s ILE 71 N 0.62 0.18 -0.32 7.04 -1.09 -1.15 -4.97 121.20 121.52 1y3j s ILE 71 Ca 0.21 0.13 0.18 0.00 -2.23 0.00 0.00 60.65 58.94 1y3j s ILE 71 Cb -0.14 -0.31 0.46 0.00 -1.58 0.00 0.00 42.46 40.89 1y3j s ILE 71 CO 0.07 0.17 0.96 -1.84 -1.23 0.00 0.00 174.94 173.07 1y3j n GLU 72 N 4.46 1.24 -3.61 2.79 0.28 -1.26 -0.38 120.64 124.16 1y3j n GLU 72 Ca -0.20 -3.31 -0.09 0.00 -0.16 0.00 0.00 57.16 53.40 1y3j n GLU 72 Cb 0.50 -1.29 -0.02 0.00 1.43 0.00 0.00 31.44 32.06 1y3j n GLU 72 CO 0.00 0.00 0.00 1.21 -0.16 0.00 0.00 177.13 178.18 1y3j s ASN 73 N -3.16 -0.42 0.83 -1.84 2.47 -1.26 -5.04 114.94 106.53 1y3j s ASN 73 Ca 0.28 -0.26 -0.10 0.00 0.42 0.00 0.00 52.86 53.21 1y3j s ASN 73 Cb 0.45 0.63 0.14 0.00 -1.45 0.00 0.00 41.25 41.02 1y3j s ASN 73 CO 0.03 -1.09 1.16 0.27 -3.72 0.00 0.00 177.10 173.75 1y3j s ILE 74 N -3.75 2.10 0.14 -5.21 -5.25 -1.26 -5.11 121.20 102.86 1y3j s ILE 74 Ca 0.06 -0.22 -0.20 0.00 -0.99 0.00 0.00 60.65 59.30 1y3j s ILE 74 Cb -0.03 -2.88 0.06 0.00 2.95 0.00 0.00 42.46 42.56 1y3j s ILE 74 CO -0.04 0.00 0.52 -0.70 -1.79 0.00 0.00 174.94 172.93 1y3j s GLU 75 N -5.53 1.19 -0.30 0.37 2.12 -1.26 -5.16 118.70 110.14 1y3j s GLU 75 Ca 0.68 -0.54 -0.09 0.00 0.36 0.00 0.00 54.97 55.38 1y3j s GLU 75 Cb -0.06 0.54 0.18 0.00 0.26 0.00 0.00 34.13 35.05 1y3j s GLU 75 CO 0.49 -0.50 0.96 0.20 -0.54 0.00 0.00 175.26 175.87 1y3j s GLY 76 N -2.72 -0.80 0.00 -1.50 0.00 -1.26 -5.31 107.32 95.72 1y3j s GLY 76 Ca 0.01 2.15 0.00 0.00 0.00 0.00 0.00 44.72 46.89 1y3j s GLY 76 CO -0.12 3.93 0.00 -0.96 0.00 0.00 0.00 173.10 175.95