#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 -1.92 -4.70 6.41 7.64 -1.23 -4.36 113.62 115.47 1y3j n SER 2 Ca 0.00 -3.33 -0.41 0.00 1.01 0.00 0.00 58.87 56.14 1y3j n SER 2 Cb 0.00 1.47 -0.04 0.00 -1.01 0.00 0.00 64.21 64.63 1y3j n SER 2 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 1y3j s SER 3 N -1.38 7.03 0.29 6.43 1.04 0.25 -4.70 113.70 122.65 1y3j s SER 3 Ca 0.23 1.25 -0.24 0.00 0.48 0.00 0.00 55.95 57.67 1y3j s SER 3 Cb 0.33 -2.45 -0.09 0.00 0.10 0.00 0.00 66.02 63.90 1y3j s SER 3 CO -0.06 -0.25 0.87 -0.75 0.98 0.00 0.00 173.24 174.03 1y3j s LYS 4 N 1.39 4.49 0.04 4.02 2.20 -1.26 -0.37 119.74 130.25 1y3j s LYS 4 Ca 0.40 1.19 -0.05 0.00 -0.36 0.00 0.00 55.97 57.15 1y3j s LYS 4 Cb -0.18 -2.85 -0.02 0.00 -1.51 0.00 0.00 37.83 33.27 1y3j s LYS 4 CO 0.17 0.33 0.08 0.00 -0.36 0.00 0.00 175.35 175.57 1y3j s TYR 6 N -2.91 3.44 -0.05 0.00 1.51 -1.25 -1.97 117.35 116.12 1y3j s TYR 6 Ca -0.02 0.40 0.01 0.00 -1.01 0.00 0.00 57.07 56.45 1y3j s TYR 6 Cb 0.01 -1.89 0.02 0.00 -0.11 0.00 0.00 41.96 39.98 1y3j s TYR 6 CO -0.06 0.63 -0.06 0.42 -1.11 0.00 0.00 175.55 175.37 1y3j s ILE 7 N -0.93 0.66 -0.17 2.71 1.09 0.82 -0.52 121.20 124.86 1y3j s ILE 7 Ca 0.14 -0.20 -0.18 0.00 -1.10 0.00 0.00 60.65 59.31 1y3j s ILE 7 Cb -0.12 -0.65 -0.04 0.00 -1.06 0.00 0.00 42.46 40.59 1y3j s ILE 7 CO 0.03 0.25 0.51 -1.58 -0.10 0.00 0.00 174.94 174.05 1y3j s GLN 8 N 0.83 4.24 -0.10 2.79 2.00 0.26 -0.56 119.66 129.11 1y3j s GLN 8 Ca -0.12 0.43 -0.01 0.00 -2.00 0.00 0.00 55.36 53.65 1y3j s GLN 8 Cb -0.15 -3.52 -0.03 0.00 0.80 0.00 0.00 33.01 30.11 1y3j s GLN 8 CO 0.01 -0.05 -0.05 0.14 -0.50 0.00 0.00 175.29 174.84 1y3j s VAL 9 N 1.31 3.87 -0.90 1.34 -7.23 -1.26 -0.59 120.40 116.94 1y3j s VAL 9 Ca 0.25 -0.40 -0.06 0.00 -1.81 0.00 0.00 61.98 59.96 1y3j s VAL 9 Cb -0.15 -2.63 0.01 0.00 0.56 0.00 0.00 36.38 34.17 1y3j s VAL 9 CO 0.10 0.56 2.79 0.41 -0.31 0.00 0.00 175.10 178.65 1y3j n THR 10 N 2.68 4.16 -3.69 5.32 -1.04 0.72 -4.48 114.28 117.95 1y3j n THR 10 Ca -0.18 -3.21 -0.15 0.00 -2.04 0.00 0.00 64.05 58.47 1y3j n THR 10 Cb 0.53 -2.00 -0.15 0.00 -1.82 0.00 0.00 70.33 66.89 1y3j n THR 10 CO 0.00 0.00 0.00 -0.83 -0.64 0.00 0.00 175.07 173.60 1y3j s GLY 11 N 0.90 0.00 0.00 3.41 0.00 -1.26 -4.11 107.32 106.26 1y3j s GLY 11 Ca 0.60 0.65 0.00 0.00 0.00 0.00 0.00 44.72 45.97 1y3j s GLY 11 CO -0.12 1.51 0.00 1.03 0.00 0.00 0.00 173.10 175.52 1y3j n MET 12 N 4.99 0.00 -0.77 2.90 2.00 -1.26 -4.77 117.12 120.20 1y3j n MET 12 Ca -0.11 0.00 -0.11 0.00 0.00 0.00 0.00 57.70 57.47 1y3j n MET 12 Cb 0.50 0.00 -0.12 0.00 0.00 0.00 0.00 33.22 33.61 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 -2.21 2.34 -4.11 2.03 5.66 -1.26 -4.76 114.28 111.97 1y3j n THR 13 Ca 0.00 -1.20 -0.34 0.00 -3.05 0.00 0.00 64.05 59.45 1y3j n THR 13 Cb 0.00 -1.92 -0.15 0.00 -1.55 0.00 0.00 70.33 66.71 1y3j n THR 13 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1y3j s ALA 15 N 1.24 2.02 0.00 0.00 0.00 -1.26 -1.30 121.76 122.46 1y3j s ALA 15 Ca 0.03 -2.16 0.00 0.00 0.00 0.00 0.00 51.96 49.83 1y3j s ALA 15 Cb -0.14 -4.65 0.00 0.00 0.00 0.00 0.00 23.12 18.33 1y3j s ALA 15 CO -0.04 -4.84 0.00 0.43 0.00 0.00 0.00 175.76 171.30 1y3j n SER 16 N 13.31 -1.12 -0.33 0.00 7.64 -1.26 -4.98 113.62 126.89 1y3j n SER 16 Ca 0.44 0.00 0.17 0.00 1.01 0.00 0.00 58.87 60.49 1y3j n SER 16 Cb 0.47 -0.31 0.37 0.00 -1.01 0.00 0.00 64.21 63.73 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 0.47 0.83 -0.73 0.00 -1.51 -1.94 0.20 116.25 113.57 1y3j h VAL 18 Ca 0.63 -0.60 0.15 0.00 -1.23 0.00 0.00 66.70 65.65 1y3j h VAL 18 Cb 1.25 1.17 -0.10 0.00 -2.13 0.00 0.00 31.29 31.48 1y3j h VAL 18 CO -0.52 0.13 0.23 0.00 -1.23 0.00 0.00 177.57 176.18 1y3j h ALA 19 N 0.04 0.99 0.39 5.19 0.00 -1.79 0.22 119.26 124.30 1y3j h ALA 19 Ca -0.03 0.14 -0.01 0.00 0.00 0.00 0.00 54.91 55.01 1y3j h ALA 19 Cb 0.45 0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.38 1y3j h ALA 19 CO 0.05 -0.28 -0.34 -0.97 0.00 0.00 0.00 179.25 177.71 1y3j h ASN 20 N 0.35 -0.90 -0.08 0.00 -1.24 -0.66 0.05 115.58 113.10 1y3j h ASN 20 Ca 0.41 0.07 0.04 0.00 0.71 0.00 0.00 56.30 57.53 1y3j h ASN 20 Cb 0.66 0.29 -0.06 0.00 0.73 0.00 0.00 38.32 39.95 1y3j h ASN 20 CO -0.45 -0.49 -0.29 0.40 -1.29 0.00 0.00 177.43 175.31 1y3j h ILE 21 N -0.74 0.35 -0.01 2.57 2.04 0.78 0.13 117.51 122.63 1y3j h ILE 21 Ca -0.03 0.00 0.03 0.00 1.00 0.00 0.00 64.86 65.85 1y3j h ILE 21 Cb 0.65 0.35 -0.06 0.00 -0.74 0.00 0.00 36.82 37.02 1y3j h ILE 21 CO -0.03 0.00 -0.50 -0.33 0.00 0.00 0.00 178.15 177.29 1y3j h GLU 22 N -0.38 -0.61 -0.86 2.37 5.08 -0.56 0.25 114.58 119.85 1y3j h GLU 22 Ca 0.09 0.04 0.09 0.00 -1.00 0.00 0.00 59.36 58.58 1y3j h GLU 22 Cb 0.51 0.14 -0.07 0.00 0.50 0.00 0.00 28.75 29.83 1y3j h GLU 22 CO -0.30 -0.41 0.51 -0.09 -1.00 0.00 0.00 179.01 177.72 1y3j h ARG 23 N -0.64 0.84 0.22 2.33 9.65 -0.45 -1.67 114.38 124.66 1y3j h ARG 23 Ca 0.03 -0.05 -0.01 0.00 -1.10 0.00 0.00 59.98 58.85 1y3j h ARG 23 Cb 0.70 -0.19 0.00 0.00 -1.39 0.00 0.00 29.97 29.09 1y3j h ARG 23 CO -0.35 0.56 -0.10 -0.91 2.80 0.00 0.00 179.97 181.96 1y3j h ASN 24 N 0.87 -0.25 1.08 -3.80 2.35 -0.44 -3.40 115.58 111.99 1y3j h ASN 24 Ca 0.41 0.01 0.00 0.00 -0.55 0.00 0.00 56.30 56.17 1y3j h ASN 24 Cb 0.34 0.06 0.00 0.00 0.05 0.00 0.00 38.32 38.78 1y3j h ASN 24 CO -0.24 -0.01 -0.03 0.18 -1.65 0.00 0.00 177.43 175.69 1y3j n LEU 25 N -3.73 0.21 0.00 1.61 4.77 0.85 -4.57 117.00 116.13 1y3j n LEU 25 Ca -0.04 0.49 0.00 0.00 -0.03 0.00 0.00 56.01 56.44 1y3j n LEU 25 Cb 0.12 -0.45 0.00 0.00 -2.33 0.00 0.00 43.42 40.76 1y3j n LEU 25 CO 0.09 -0.03 0.00 -2.11 -1.33 0.00 0.00 177.39 174.00 1y3j n ARG 26 N -1.67 0.00 -0.07 3.23 1.85 -0.64 -3.73 116.66 115.63 1y3j n ARG 26 Ca 0.07 0.00 -0.05 0.00 -1.00 0.00 0.00 57.85 56.86 1y3j n ARG 26 Cb 0.36 0.00 -0.02 0.00 -1.05 0.00 0.00 32.46 31.75 1y3j n ARG 26 CO 0.00 0.00 0.00 0.54 -0.01 0.00 0.00 177.63 178.16 1y3j n ARG 27 N -1.74 0.44 -1.40 2.89 5.12 -1.26 -4.68 116.66 116.03 1y3j n ARG 27 Ca 0.00 0.44 0.00 0.00 -1.93 0.00 0.00 57.85 56.36 1y3j n ARG 27 Cb 0.00 -1.57 0.00 0.00 -1.16 0.00 0.00 32.46 29.73 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 -4.42 -0.32 -3.16 5.56 -0.58 -1.24 -0.26 120.64 116.22 1y3j n GLU 28 Ca -0.08 -0.16 0.00 0.00 -0.42 0.00 0.00 57.16 56.50 1y3j n GLU 28 Cb 0.30 0.28 0.00 0.00 -0.57 0.00 0.00 31.44 31.45 1y3j n GLU 28 CO 0.00 0.00 0.00 0.39 -0.48 0.00 0.00 177.13 177.04 1y3j n GLU 29 N -0.33 -0.95 0.00 3.49 1.02 -1.26 -3.77 120.64 118.84 1y3j n GLU 29 Ca 0.00 -0.39 0.00 0.00 -0.02 0.00 0.00 57.16 56.75 1y3j n GLU 29 Cb 0.00 0.70 0.00 0.00 -0.02 0.00 0.00 31.44 32.12 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 -0.85 0.29 3.60 0.62 0.00 -0.11 -4.68 105.19 104.06 1y3j n GLY 30 Ca 0.00 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.59 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 0.00 4.37 -0.34 -0.61 1.01 0.64 -1.70 121.20 124.57 1y3j s ILE 31 Ca 0.00 1.23 0.08 0.00 0.00 0.00 0.00 60.65 61.96 1y3j s ILE 31 Cb 0.00 -4.50 0.45 0.00 0.01 0.00 0.00 42.46 38.42 1y3j s ILE 31 CO 0.00 -0.80 1.14 -1.22 0.00 0.00 0.00 174.94 174.06 1y3j n TYR 32 N 7.37 2.79 -3.64 3.97 4.01 0.86 -4.35 117.16 128.17 1y3j n TYR 32 Ca 0.10 -2.57 -0.08 0.00 -0.16 0.00 0.00 57.90 55.19 1y3j n TYR 32 Cb 0.48 -0.24 -0.07 0.00 -0.31 0.00 0.00 39.34 39.20 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 -3.57 -0.53 0.47 7.72 0.15 -0.96 -4.68 113.70 112.31 1y3j s SER 33 Ca 0.47 0.97 -0.19 0.00 0.70 0.00 0.00 55.95 57.89 1y3j s SER 33 Cb 0.40 1.04 -0.09 0.00 -1.71 0.00 0.00 66.02 65.66 1y3j s SER 33 CO -0.05 -0.16 0.98 0.27 1.20 0.00 0.00 173.24 175.48 1y3j s ILE 34 N 0.54 4.26 -1.17 6.45 -5.25 -1.26 -2.30 121.20 122.47 1y3j s ILE 34 Ca -0.00 1.30 -0.10 0.00 -0.99 0.00 0.00 60.65 60.86 1y3j s ILE 34 Cb -0.05 -3.58 0.23 0.00 2.95 0.00 0.00 42.46 42.01 1y3j s ILE 34 CO -0.08 -0.41 1.39 0.00 -1.79 0.00 0.00 174.94 174.05 1y3j n LEU 35 N -1.04 5.68 -4.05 0.37 -0.00 -1.25 -4.56 117.00 112.15 1y3j n LEU 35 Ca 0.07 -4.79 -0.20 0.00 -0.00 0.00 0.00 56.01 51.09 1y3j n LEU 35 Cb 0.54 -1.51 -0.15 0.00 -0.00 0.00 0.00 43.42 42.30 1y3j n LEU 35 CO 0.41 1.16 -0.45 -0.69 -0.00 0.00 0.00 177.39 177.82 1y3j s VAL 36 N -0.19 0.86 -0.42 1.47 1.01 -1.26 -3.63 120.40 118.24 1y3j s VAL 36 Ca 0.37 -0.46 0.09 0.00 0.00 0.00 0.00 61.98 61.97 1y3j s VAL 36 Cb -0.03 -0.72 0.36 0.00 0.00 0.00 0.00 36.38 35.99 1y3j s VAL 36 CO -0.01 0.25 1.14 0.00 0.00 0.00 0.00 175.10 176.47 1y3j n ALA 37 N 2.84 0.53 0.27 5.51 0.00 0.12 -4.42 120.51 125.36 1y3j n ALA 37 Ca -0.14 -1.77 0.16 0.00 0.00 0.00 0.00 53.44 51.69 1y3j n ALA 37 Cb 0.56 -1.06 0.60 0.00 0.00 0.00 0.00 19.45 19.55 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 2.68 0.00 -1.17 0.00 7.12 -1.92 0.10 115.31 122.11 1y3j h LEU 38 Ca -0.13 0.00 0.33 0.00 0.13 0.00 0.00 57.88 58.21 1y3j h LEU 38 Cb 1.15 0.00 -0.13 0.00 -0.53 0.00 0.00 40.66 41.15 1y3j h LEU 38 CO 0.14 0.02 0.66 -0.03 -0.13 0.00 0.00 178.44 179.10 1y3j h MET 39 N 0.00 0.29 0.01 1.25 4.05 -1.94 -2.50 114.93 116.08 1y3j h MET 39 Ca -0.00 -0.02 -0.37 0.00 -0.28 0.00 0.00 59.70 59.04 1y3j h MET 39 Cb 0.59 -0.07 -0.05 0.00 -0.80 0.00 0.00 31.60 31.28 1y3j h MET 39 CO 0.00 0.19 -2.02 0.00 0.23 0.00 0.00 176.91 175.31 1y3j n ALA 40 N -2.38 1.04 0.00 0.39 0.00 -0.23 -5.06 120.51 114.27 1y3j n ALA 40 Ca 0.31 -0.84 0.00 0.00 0.00 0.00 0.00 53.44 52.92 1y3j n ALA 40 Cb 1.05 -0.20 0.00 0.00 0.00 0.00 0.00 19.45 20.31 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 1.44 0.69 3.79 0.00 0.00 0.19 -5.14 105.19 106.16 1y3j n GLY 41 Ca -0.44 -0.39 -0.09 0.00 0.00 0.00 0.00 46.02 45.10 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 -0.01 2.18 -0.08 1.61 -2.85 -1.05 -4.58 119.74 114.97 1y3j s LYS 42 Ca 0.00 -1.42 0.00 0.00 -1.00 0.00 0.00 55.97 53.55 1y3j s LYS 42 Cb 0.00 0.61 0.02 0.00 -2.06 0.00 0.00 37.83 36.41 1y3j s LYS 42 CO 0.00 -1.01 -0.05 0.00 0.10 0.00 0.00 175.35 174.39 1y3j s ALA 43 N -2.51 0.97 -0.49 0.59 0.00 0.27 0.10 121.76 120.69 1y3j s ALA 43 Ca 0.16 -0.28 0.03 0.00 0.00 0.00 0.00 51.96 51.87 1y3j s ALA 43 Cb -0.05 -0.67 0.14 0.00 0.00 0.00 0.00 23.12 22.53 1y3j s ALA 43 CO 0.12 -0.23 0.27 -1.21 0.00 0.00 0.00 175.76 174.71 1y3j s GLU 44 N 1.38 1.66 0.49 0.00 2.02 -1.24 -0.12 118.70 122.89 1y3j s GLU 44 Ca -0.03 -2.37 -0.19 0.00 0.02 0.00 0.00 54.97 52.40 1y3j s GLU 44 Cb -0.13 -2.82 -0.09 0.00 0.10 0.00 0.00 34.13 31.19 1y3j s GLU 44 CO -0.03 -1.15 0.99 0.54 0.02 0.00 0.00 175.26 175.62 1y3j s VAL 45 N -0.06 4.29 -0.27 2.63 0.11 -0.83 -3.86 120.40 122.40 1y3j s VAL 45 Ca 0.18 1.27 -0.02 0.00 -2.93 0.00 0.00 61.98 60.48 1y3j s VAL 45 Cb -0.23 -3.60 0.04 0.00 -1.53 0.00 0.00 36.38 31.06 1y3j s VAL 45 CO -0.01 -0.46 -0.03 -0.60 -3.33 0.00 0.00 175.10 170.67 1y3j s ARG 46 N -3.60 2.64 0.32 1.54 3.52 -0.97 -1.05 118.95 121.34 1y3j s ARG 46 Ca 0.62 -1.12 0.08 0.00 -0.13 0.00 0.00 55.73 55.18 1y3j s ARG 46 Cb -0.11 -3.09 -0.06 0.00 -1.56 0.00 0.00 34.95 30.13 1y3j s ARG 46 CO 0.23 -0.51 -0.06 1.52 -0.81 0.00 0.00 175.30 175.67 1y3j s TYR 47 N 1.29 2.17 -0.45 5.12 -0.85 0.50 -0.10 117.35 125.03 1y3j s TYR 47 Ca -0.03 -0.63 0.02 0.00 -0.52 0.00 0.00 57.07 55.92 1y3j s TYR 47 Cb -0.18 -1.27 0.13 0.00 0.38 0.00 0.00 41.96 41.02 1y3j s TYR 47 CO -0.03 0.40 0.23 1.21 -1.52 0.00 0.00 175.55 175.84 1y3j s ASN 48 N -3.53 3.89 -0.90 -0.18 2.47 -0.69 -0.59 114.94 115.42 1y3j s ASN 48 Ca 0.31 -2.64 -0.21 0.00 0.42 0.00 0.00 52.86 50.74 1y3j s ASN 48 Cb 0.04 -1.20 -0.13 0.00 -1.45 0.00 0.00 41.25 38.51 1y3j s ASN 48 CO 0.14 -0.27 1.95 -0.81 -3.72 0.00 0.00 177.10 174.40 1y3j n PRO 49 N 3.55 1.69 0.00 0.43 -0.04 -1.26 -3.12 135.00 136.25 1y3j n PRO 49 Ca 0.07 -2.02 0.00 0.00 -0.04 0.00 0.00 63.50 61.51 1y3j n PRO 49 Cb 0.35 -3.05 0.00 0.00 -0.04 0.00 0.00 33.50 30.75 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 8.07 2.91 -0.05 0.55 0.00 -1.26 -4.88 120.51 125.85 1y3j n ALA 50 Ca 0.49 0.00 -0.01 0.00 0.00 0.00 0.00 53.44 53.92 1y3j n ALA 50 Cb 0.41 0.40 -0.00 0.00 0.00 0.00 0.00 19.45 20.26 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 -1.82 -3.46 116.25 113.05 1y3j h VAL 51 Ca 0.00 -0.86 0.00 0.00 0.82 0.00 0.00 66.70 66.66 1y3j h VAL 51 Cb 0.80 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 30.57 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 -4.35 0.00 -0.05 4.57 0.13 -1.23 -5.10 119.36 113.33 1y3j n ILE 52 Ca -0.02 0.49 0.00 0.00 -1.10 0.00 0.00 62.75 62.12 1y3j n ILE 52 Cb 0.08 -1.33 0.00 0.00 -0.84 0.00 0.00 39.64 37.55 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 -1.75 0.00 -0.30 9.51 3.00 -1.26 -4.50 117.38 122.08 1y3j n GLN 53 Ca 0.00 0.05 -0.01 0.00 -0.01 0.00 0.00 57.00 57.04 1y3j n GLN 53 Cb 0.00 0.00 0.06 0.00 0.00 0.00 0.00 30.24 30.30 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 -0.05 -0.35 -1.09 0.11 -1.98 0.61 132.00 129.25 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 -0.06 0.00 0.11 0.00 0.00 31.00 31.06 1y3j h PRO 54 CO 0.00 -0.03 -0.02 -1.00 -0.21 0.00 0.00 178.00 176.74 1y3j h PRO 55 N -0.05 0.07 -0.33 1.05 0.13 -1.99 -1.68 132.00 129.20 1y3j h PRO 55 Ca 0.34 -0.00 -0.04 0.00 -0.87 0.00 0.00 66.00 65.43 1y3j h PRO 55 Cb 0.59 -0.02 -0.01 0.00 0.13 0.00 0.00 31.00 31.70 1y3j h PRO 55 CO -0.85 0.05 0.07 0.52 -0.23 0.00 0.00 178.00 177.55 1y3j h MET 56 N 0.07 0.54 -0.04 0.86 2.86 -1.17 0.10 114.93 118.15 1y3j h MET 56 Ca 0.17 -0.14 0.00 0.00 -2.06 0.00 0.00 59.70 57.68 1y3j h MET 56 Cb 0.24 -0.07 -0.00 0.00 0.06 0.00 0.00 31.60 31.83 1y3j h MET 56 CO -0.30 0.61 0.01 0.97 1.06 0.00 0.00 176.91 179.26 1y3j h ILE 57 N 0.38 0.99 -0.18 -1.22 2.10 -1.09 0.95 117.51 119.44 1y3j h ILE 57 Ca 0.10 -0.01 0.05 0.00 1.08 0.00 0.00 64.86 66.08 1y3j h ILE 57 Cb 0.33 0.96 -0.06 0.00 -1.09 0.00 0.00 36.82 36.95 1y3j h ILE 57 CO 0.00 0.01 -0.26 0.00 -1.08 0.00 0.00 178.15 176.82 1y3j h ALA 58 N 1.02 -0.22 0.20 0.18 0.00 -0.88 -1.47 119.26 118.09 1y3j h ALA 58 Ca 0.02 0.05 0.01 0.00 0.00 0.00 0.00 54.91 54.98 1y3j h ALA 58 Cb 0.01 0.53 -0.02 0.00 0.00 0.00 0.00 17.79 18.30 1y3j h ALA 58 CO -0.02 -0.71 -0.25 0.93 0.00 0.00 0.00 179.25 179.20 1y3j h GLU 59 N -0.31 -0.49 -0.84 0.00 4.39 -0.59 -0.93 114.58 115.81 1y3j h GLU 59 Ca 0.12 0.03 0.18 0.00 0.34 0.00 0.00 59.36 60.02 1y3j h GLU 59 Cb 0.48 0.11 -0.11 0.00 -0.10 0.00 0.00 28.75 29.14 1y3j h GLU 59 CO -0.36 -0.33 0.38 0.74 -1.16 0.00 0.00 179.01 178.29 1y3j h PHE 60 N -0.51 0.65 -0.61 4.33 0.04 -0.58 0.26 116.94 120.52 1y3j h PHE 60 Ca 0.01 0.04 -0.08 0.00 2.80 0.00 0.00 57.97 60.74 1y3j h PHE 60 Cb 0.49 -0.16 -0.02 0.00 2.20 0.00 0.00 35.95 38.46 1y3j h PHE 60 CO -0.19 0.06 0.08 0.82 -0.60 0.00 0.00 178.31 178.47 1y3j h ILE 61 N 0.48 1.26 0.13 -0.55 2.04 -0.62 0.52 117.51 120.78 1y3j h ILE 61 Ca 0.49 -1.04 -0.00 0.00 1.00 0.00 0.00 64.86 65.31 1y3j h ILE 61 Cb 0.81 0.74 -0.01 0.00 -0.74 0.00 0.00 36.82 37.63 1y3j h ILE 61 CO -0.44 0.38 -0.10 0.03 0.00 0.00 0.00 178.15 178.02 1y3j h ARG 62 N 0.93 -0.23 -0.54 2.37 3.08 0.42 -0.24 114.38 120.17 1y3j h ARG 62 Ca 0.18 0.02 0.10 0.00 0.07 0.00 0.00 59.98 60.34 1y3j h ARG 62 Cb 0.46 0.05 -0.03 0.00 0.08 0.00 0.00 29.97 30.53 1y3j h ARG 62 CO 0.02 -0.15 0.37 0.93 -1.07 0.00 0.00 179.97 180.06 1y3j h GLU 63 N -0.24 0.32 0.00 0.04 5.08 -0.24 0.21 114.58 119.76 1y3j h GLU 63 Ca -0.01 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.33 1y3j h GLU 63 Cb 0.21 -0.07 0.00 0.00 0.50 0.00 0.00 28.75 29.39 1y3j h GLU 63 CO -0.00 0.21 0.00 -0.07 -1.00 0.00 0.00 179.01 178.15 1y3j h LEU 64 N 0.33 0.00 0.00 1.33 3.38 -0.67 -3.47 115.31 116.22 1y3j h LEU 64 Ca 0.25 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.22 1y3j h LEU 64 Cb 0.55 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.30 1y3j h LEU 64 CO -0.06 0.00 0.00 0.61 0.09 0.00 0.00 178.44 179.08 1y3j n GLY 65 N 0.87 0.69 3.30 0.83 0.00 0.74 -5.09 105.19 106.53 1y3j n GLY 65 Ca 0.04 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.69 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 -0.46 3.12 -0.92 1.61 0.08 -0.15 -4.93 117.98 116.33 1y3j s PHE 66 Ca 0.00 -1.14 -0.25 0.00 0.12 0.00 0.00 56.93 55.66 1y3j s PHE 66 Cb 0.00 -2.20 -0.13 0.00 -0.57 0.00 0.00 43.02 40.12 1y3j s PHE 66 CO 0.00 -0.62 2.18 0.20 -0.10 0.00 0.00 175.22 176.89 1y3j s GLY 67 N 1.45 -0.53 -0.09 4.36 0.00 -1.26 -2.67 107.32 108.58 1y3j s GLY 67 Ca 0.02 -1.27 -0.26 0.00 0.00 0.00 0.00 44.72 43.21 1y3j s GLY 67 CO 0.00 3.99 0.82 0.00 0.00 0.00 0.00 173.10 177.91 1y3j s ALA 68 N 13.70 3.36 -0.09 3.20 0.00 -1.26 -0.20 121.76 140.47 1y3j s ALA 68 Ca 0.82 0.21 0.04 0.00 0.00 0.00 0.00 51.96 53.02 1y3j s ALA 68 Cb -0.08 -3.15 0.00 0.00 0.00 0.00 0.00 23.12 19.88 1y3j s ALA 68 CO 0.08 -0.33 -0.21 -0.08 0.00 0.00 0.00 175.76 175.22 1y3j s THR 69 N 1.34 1.83 0.09 0.00 -1.32 0.24 -4.91 115.64 112.90 1y3j s THR 69 Ca 0.42 -0.89 -0.26 0.00 -1.21 0.00 0.00 61.69 59.75 1y3j s THR 69 Cb -0.18 -1.59 -0.06 0.00 -1.51 0.00 0.00 72.50 69.16 1y3j s THR 69 CO 0.19 0.51 0.80 -0.69 -2.21 0.00 0.00 174.62 173.22 1y3j s VAL 70 N 0.38 4.60 -0.57 5.08 1.01 -1.26 -0.58 120.40 129.06 1y3j s VAL 70 Ca -0.17 1.73 0.06 0.00 0.00 0.00 0.00 61.98 63.60 1y3j s VAL 70 Cb -0.17 -4.16 0.22 0.00 0.00 0.00 0.00 36.38 32.27 1y3j s VAL 70 CO 0.07 0.39 0.58 -0.38 0.00 0.00 0.00 175.10 175.77 1y3j n ILE 71 N 2.51 1.07 -0.64 2.22 5.41 0.33 -4.91 119.36 125.34 1y3j n ILE 71 Ca -0.02 -4.64 -0.31 0.00 1.00 0.00 0.00 62.75 58.78 1y3j n ILE 71 Cb 0.50 -2.03 0.19 0.00 -0.71 0.00 0.00 39.64 37.58 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 1.50 -0.97 -1.89 0.38 -0.58 -1.26 -3.89 120.64 113.93 1y3j n GLU 72 Ca 0.26 -0.23 -0.33 0.00 -0.42 0.00 0.00 57.16 56.44 1y3j n GLU 72 Cb 0.43 -2.26 0.03 0.00 -0.57 0.00 0.00 31.44 29.08 1y3j n GLU 72 CO 0.00 0.00 0.00 1.21 -0.48 0.00 0.00 177.13 177.86 1y3j s ASN 73 N -2.50 5.33 -0.98 1.62 2.47 -1.26 -4.09 114.94 115.53 1y3j s ASN 73 Ca 0.66 2.00 -0.09 0.00 0.42 0.00 0.00 52.86 55.84 1y3j s ASN 73 Cb -0.23 -2.55 -0.02 0.00 -1.45 0.00 0.00 41.25 36.99 1y3j s ASN 73 CO 0.61 -1.48 0.78 -0.38 -3.72 0.00 0.00 177.10 172.91 1y3j n ILE 74 N -2.16 -7.57 -0.17 -5.21 5.41 -1.26 -4.92 119.36 103.48 1y3j n ILE 74 Ca 0.10 -0.78 -0.01 0.00 1.00 0.00 0.00 62.75 63.06 1y3j n ILE 74 Cb 0.52 -5.43 0.08 0.00 -0.71 0.00 0.00 39.64 34.10 1y3j n ILE 74 CO 0.00 0.00 0.00 -0.33 0.00 0.00 0.00 176.55 176.22 1y3j h GLU 75 N -0.90 0.23 0.00 0.38 5.08 -1.97 -3.48 114.58 113.92 1y3j h GLU 75 Ca -0.48 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 57.87 1y3j h GLU 75 Cb 1.26 -0.05 0.00 0.00 0.50 0.00 0.00 28.75 30.46 1y3j h GLU 75 CO 0.41 0.15 0.00 0.41 -1.00 0.00 0.00 179.01 178.98 1y3j n GLY 76 N -1.30 -0.53 0.00 -3.84 0.00 -1.26 -5.17 105.19 93.10 1y3j n GLY 76 Ca 0.07 -0.89 0.00 0.00 0.00 0.00 0.00 46.02 45.19 1y3j n GLY 76 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36