#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 7.24 0.49 6.41 1.04 -1.26 -4.87 113.70 122.75 1y3j s SER 2 Ca 0.00 1.83 0.05 0.00 0.48 0.00 0.00 55.95 58.31 1y3j s SER 2 Cb 0.00 -2.57 -0.01 0.00 0.10 0.00 0.00 66.02 63.54 1y3j s SER 2 CO 0.00 -0.14 0.23 -0.55 0.98 0.00 0.00 173.24 173.76 1y3j s SER 3 N -1.70 4.44 0.10 7.02 0.15 0.49 -4.80 113.70 119.41 1y3j s SER 3 Ca 0.52 -1.29 0.04 0.00 0.70 0.00 0.00 55.95 55.93 1y3j s SER 3 Cb -0.17 0.13 -0.04 0.00 -1.71 0.00 0.00 66.02 64.23 1y3j s SER 3 CO 0.22 -0.85 0.06 -0.75 1.20 0.00 0.00 173.24 173.13 1y3j s LYS 4 N -4.05 2.77 -0.00 5.44 2.20 -1.26 -0.56 119.74 124.28 1y3j s LYS 4 Ca 0.29 -0.79 -0.12 0.00 -0.36 0.00 0.00 55.97 55.00 1y3j s LYS 4 Cb 0.01 -2.64 0.01 0.00 -1.51 0.00 0.00 37.83 33.70 1y3j s LYS 4 CO 0.17 0.54 0.24 0.00 -0.36 0.00 0.00 175.35 175.94 1y3j s TYR 6 N -1.48 3.55 -0.38 0.00 1.51 -0.65 -0.86 117.35 119.05 1y3j s TYR 6 Ca -0.13 0.68 0.01 0.00 -1.01 0.00 0.00 57.07 56.62 1y3j s TYR 6 Cb -0.06 -2.27 0.13 0.00 -0.11 0.00 0.00 41.96 39.66 1y3j s TYR 6 CO 0.03 0.41 0.21 0.42 -1.11 0.00 0.00 175.55 175.51 1y3j s ILE 7 N -0.12 0.62 -0.15 2.71 1.01 0.39 -0.47 121.20 125.20 1y3j s ILE 7 Ca 0.18 -1.96 -0.28 0.00 0.00 0.00 0.00 60.65 58.59 1y3j s ILE 7 Cb -0.14 -1.45 -0.01 0.00 0.01 0.00 0.00 42.46 40.88 1y3j s ILE 7 CO 0.06 -0.93 0.96 -1.58 0.00 0.00 0.00 174.94 173.45 1y3j s GLN 8 N 0.88 4.35 0.48 2.79 -0.44 0.78 -4.07 119.66 124.43 1y3j s GLN 8 Ca 0.17 1.26 0.04 0.00 -2.50 0.00 0.00 55.36 54.34 1y3j s GLN 8 Cb -0.23 -3.57 -0.03 0.00 -1.64 0.00 0.00 33.01 27.54 1y3j s GLN 8 CO -0.02 -0.37 0.09 0.14 0.50 0.00 0.00 175.29 175.63 1y3j s VAL 9 N 2.26 1.62 -0.21 1.34 -7.23 -1.26 -0.52 120.40 116.40 1y3j s VAL 9 Ca 0.44 -1.87 0.18 0.00 -1.81 0.00 0.00 61.98 58.92 1y3j s VAL 9 Cb -0.17 -2.49 0.41 0.00 0.56 0.00 0.00 36.38 34.68 1y3j s VAL 9 CO 0.14 0.00 1.24 1.07 -0.31 0.00 0.00 175.10 177.24 1y3j n THR 10 N -1.27 0.54 -3.82 5.32 5.66 -1.26 -4.81 114.28 114.64 1y3j n THR 10 Ca -0.10 -1.70 -0.16 0.00 -3.05 0.00 0.00 64.05 59.05 1y3j n THR 10 Cb 0.66 1.07 -0.16 0.00 -1.55 0.00 0.00 70.33 70.35 1y3j n THR 10 CO 0.00 0.00 0.00 -0.83 -3.05 0.00 0.00 175.07 171.19 1y3j s GLY 11 N -2.39 0.14 0.00 1.09 0.00 -1.26 -5.00 107.32 99.90 1y3j s GLY 11 Ca 0.20 0.26 0.00 0.00 0.00 0.00 0.00 44.72 45.18 1y3j s GLY 11 CO -0.08 0.66 0.00 1.15 0.00 0.00 0.00 173.10 174.83 1y3j n MET 12 N 4.16 0.00 -0.58 2.90 3.85 -1.26 -4.82 117.12 121.37 1y3j n MET 12 Ca -0.28 0.00 0.03 0.00 -1.00 0.00 0.00 57.70 56.46 1y3j n MET 12 Cb 0.50 0.00 0.23 0.00 -1.05 0.00 0.00 33.22 32.90 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 -0.74 2.39 -0.25 3.17 5.66 -1.26 -4.67 114.28 118.57 1y3j n THR 13 Ca 0.00 -2.21 -0.02 0.00 -3.05 0.00 0.00 64.05 58.77 1y3j n THR 13 Cb 0.00 -0.28 0.00 0.00 -1.55 0.00 0.00 70.33 68.50 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 1.19 -1.43 0.59 0.00 0.00 -1.26 -4.67 120.51 114.93 1y3j n ALA 15 Ca 0.03 0.20 0.00 0.00 0.00 0.00 0.00 53.44 53.67 1y3j n ALA 15 Cb 0.52 -0.51 0.00 0.00 0.00 0.00 0.00 19.45 19.46 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 -2.48 3.01 -0.34 0.00 7.64 -1.26 -4.29 113.62 115.91 1y3j n SER 16 Ca -0.00 -1.83 0.18 0.00 1.01 0.00 0.00 58.87 58.24 1y3j n SER 16 Cb 0.25 -0.55 0.41 0.00 -1.01 0.00 0.00 64.21 63.32 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 0.55 0.32 -0.74 0.00 -1.51 -1.83 0.24 116.25 113.28 1y3j h VAL 18 Ca 0.63 -0.03 0.11 0.00 -1.23 0.00 0.00 66.70 66.18 1y3j h VAL 18 Cb 1.27 0.24 -0.08 0.00 -2.13 0.00 0.00 31.29 30.59 1y3j h VAL 18 CO -0.43 0.01 0.36 0.00 -1.23 0.00 0.00 177.57 176.29 1y3j h ALA 19 N 1.71 1.04 0.13 5.19 0.00 -1.07 0.32 119.26 126.58 1y3j h ALA 19 Ca 0.40 0.07 -0.01 0.00 0.00 0.00 0.00 54.91 55.37 1y3j h ALA 19 Cb 0.70 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.46 1y3j h ALA 19 CO -0.68 -0.07 -0.06 -0.97 0.00 0.00 0.00 179.25 177.47 1y3j h ASN 20 N 0.59 -0.15 0.34 0.00 -1.24 -1.05 -2.95 115.58 111.12 1y3j h ASN 20 Ca 0.38 -0.23 -0.02 0.00 0.71 0.00 0.00 56.30 57.14 1y3j h ASN 20 Cb 0.44 0.04 0.00 0.00 0.73 0.00 0.00 38.32 39.53 1y3j h ASN 20 CO -0.30 0.15 -0.16 0.40 -1.29 0.00 0.00 177.43 176.24 1y3j h ILE 21 N -0.47 0.67 -0.94 2.57 2.04 0.14 0.26 117.51 121.79 1y3j h ILE 21 Ca -0.02 -0.03 0.10 0.00 1.00 0.00 0.00 64.86 65.91 1y3j h ILE 21 Cb 0.37 0.69 -0.12 0.00 -0.74 0.00 0.00 36.82 37.02 1y3j h ILE 21 CO 0.03 0.01 -0.54 -0.33 0.00 0.00 0.00 178.15 177.32 1y3j h GLU 22 N -0.47 -0.04 -0.91 2.37 5.08 -0.61 0.53 114.58 120.53 1y3j h GLU 22 Ca -0.05 0.00 0.07 0.00 -1.00 0.00 0.00 59.36 58.39 1y3j h GLU 22 Cb 0.36 0.01 -0.07 0.00 0.50 0.00 0.00 28.75 29.55 1y3j h GLU 22 CO 0.08 -0.03 0.56 0.00 -1.00 0.00 0.00 179.01 178.63 1y3j h ARG 23 N -0.04 0.97 0.00 2.33 2.47 -1.18 -1.69 114.38 117.24 1y3j h ARG 23 Ca 0.19 -0.06 -0.12 0.00 -1.26 0.00 0.00 59.98 58.73 1y3j h ARG 23 Cb 0.47 -0.22 -0.02 0.00 -1.65 0.00 0.00 29.97 28.55 1y3j h ARG 23 CO -0.91 0.64 -0.57 -0.97 0.56 0.00 0.00 179.97 178.72 1y3j h ASN 24 N 1.00 0.00 0.39 7.04 -1.24 0.23 -3.18 115.58 119.82 1y3j h ASN 24 Ca 0.41 0.00 -0.02 0.00 0.71 0.00 0.00 56.30 57.40 1y3j h ASN 24 Cb 0.24 0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.29 1y3j h ASN 24 CO -0.20 0.57 -0.19 -0.07 -1.29 0.00 0.00 177.43 176.26 1y3j h LEU 25 N 0.00 -0.45 -1.01 0.34 4.07 0.54 -3.34 115.31 115.47 1y3j h LEU 25 Ca -0.01 -0.08 0.00 0.00 0.08 0.00 0.00 57.88 57.87 1y3j h LEU 25 Cb 1.02 0.12 0.00 0.00 1.08 0.00 0.00 40.66 42.88 1y3j h LEU 25 CO 0.07 -0.01 0.00 0.54 -1.08 0.00 0.00 178.44 177.97 1y3j n ARG 26 N -5.14 0.16 -0.30 1.13 1.74 -0.70 -0.55 116.66 113.00 1y3j n ARG 26 Ca -0.08 0.52 0.10 0.00 -0.77 0.00 0.00 57.85 57.62 1y3j n ARG 26 Cb 0.26 -1.90 0.33 0.00 -1.02 0.00 0.00 32.46 30.13 1y3j n ARG 26 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1y3j h ARG 27 N 0.00 0.78 -4.51 5.56 3.08 -1.67 -3.40 114.38 114.22 1y3j h ARG 27 Ca 0.00 -0.05 -0.75 0.00 0.07 0.00 0.00 59.98 59.26 1y3j h ARG 27 Cb 0.18 -0.18 -0.20 0.00 0.08 0.00 0.00 29.97 29.86 1y3j h ARG 27 CO 0.00 0.52 1.06 -1.21 -1.07 0.00 0.00 179.97 179.26 1y3j s GLU 28 N -5.78 4.03 -0.22 0.04 0.41 0.28 -4.96 118.70 112.51 1y3j s GLU 28 Ca -0.11 -2.60 -0.42 0.00 -0.41 0.00 0.00 54.97 51.42 1y3j s GLU 28 Cb 0.22 -4.92 -0.19 0.00 -1.78 0.00 0.00 34.13 27.46 1y3j s GLU 28 CO 0.80 -1.64 1.38 -1.91 -0.49 0.00 0.00 175.26 173.39 1y3j n GLU 29 N 5.10 0.24 0.00 1.61 2.13 -1.26 -0.68 120.64 127.78 1y3j n GLU 29 Ca 0.32 0.09 0.00 0.00 0.66 0.00 0.00 57.16 58.22 1y3j n GLU 29 Cb 0.43 -1.62 0.00 0.00 0.27 0.00 0.00 31.44 30.52 1y3j n GLU 29 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1y3j n GLY 30 N 2.86 3.49 3.79 8.31 0.00 -1.26 -4.69 105.19 117.70 1y3j n GLY 30 Ca 0.25 -0.82 -0.37 0.00 0.00 0.00 0.00 46.02 45.07 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 4.40 -0.29 -0.61 1.01 0.15 -0.57 121.20 125.28 1y3j s ILE 31 Ca 0.00 1.57 0.20 0.00 0.00 0.00 0.00 60.65 62.41 1y3j s ILE 31 Cb 0.00 -3.98 0.48 0.00 0.01 0.00 0.00 42.46 38.96 1y3j s ILE 31 CO 0.00 0.27 1.18 -1.22 0.00 0.00 0.00 174.94 175.17 1y3j n TYR 32 N 0.90 0.40 -3.60 3.97 4.02 0.48 -4.84 117.16 118.48 1y3j n TYR 32 Ca -0.02 -2.15 -0.13 0.00 -0.01 0.00 0.00 57.90 55.59 1y3j n TYR 32 Cb 0.50 0.19 -0.06 0.00 -0.02 0.00 0.00 39.34 39.95 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 -3.04 -0.60 0.08 7.72 0.01 -0.64 -4.83 113.70 112.39 1y3j s SER 33 Ca 0.23 0.98 -0.28 0.00 1.31 0.00 0.00 55.95 58.19 1y3j s SER 33 Cb 0.37 0.93 -0.05 0.00 0.21 0.00 0.00 66.02 67.48 1y3j s SER 33 CO -0.05 -0.33 0.90 0.27 0.41 0.00 0.00 173.24 174.45 1y3j s ILE 34 N -0.25 4.60 -1.43 1.44 -0.00 -1.26 -2.52 121.20 121.77 1y3j s ILE 34 Ca -0.02 1.94 -0.15 0.00 -0.00 0.00 0.00 60.65 62.42 1y3j s ILE 34 Cb -0.03 -4.26 0.05 0.00 -0.00 0.00 0.00 42.46 38.21 1y3j s ILE 34 CO 0.02 0.32 2.14 0.00 -0.00 0.00 0.00 174.94 177.42 1y3j n LEU 35 N 2.87 6.54 -3.88 0.37 -0.00 -1.25 -4.46 117.00 117.19 1y3j n LEU 35 Ca 0.01 -4.10 -0.18 0.00 -0.00 0.00 0.00 56.01 51.73 1y3j n LEU 35 Cb 0.50 -1.68 -0.16 0.00 -0.00 0.00 0.00 43.42 42.08 1y3j n LEU 35 CO 0.50 0.94 -0.40 -0.69 -0.00 0.00 0.00 177.39 177.75 1y3j s VAL 36 N 3.37 0.41 -0.43 1.47 1.01 -1.26 -3.84 120.40 121.13 1y3j s VAL 36 Ca 0.48 -0.07 0.08 0.00 0.00 0.00 0.00 61.98 62.47 1y3j s VAL 36 Cb 0.12 -0.44 0.27 0.00 0.00 0.00 0.00 36.38 36.33 1y3j s VAL 36 CO -0.06 0.19 0.75 0.00 0.00 0.00 0.00 175.10 175.98 1y3j n ALA 37 N 3.93 0.68 -0.13 5.51 0.00 0.12 -4.75 120.51 125.88 1y3j n ALA 37 Ca -0.25 -2.49 0.21 0.00 0.00 0.00 0.00 53.44 50.91 1y3j n ALA 37 Cb 0.51 -1.05 0.62 0.00 0.00 0.00 0.00 19.45 19.54 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 3.71 0.17 -0.41 0.00 -0.00 -1.84 0.11 115.31 117.05 1y3j h LEU 38 Ca -0.02 0.01 -0.08 0.00 -0.00 0.00 0.00 57.88 57.80 1y3j h LEU 38 Cb 0.97 -0.02 -0.01 0.00 -0.00 0.00 0.00 40.66 41.60 1y3j h LEU 38 CO 0.38 0.08 -0.04 0.24 -0.00 0.00 0.00 178.44 179.10 1y3j h MET 39 N 0.18 0.75 -0.10 0.17 2.86 -1.92 -0.45 114.93 116.42 1y3j h MET 39 Ca 0.36 -0.26 -0.19 0.00 -2.06 0.00 0.00 59.70 57.55 1y3j h MET 39 Cb 1.15 -0.06 -0.00 0.00 0.06 0.00 0.00 31.60 32.76 1y3j h MET 39 CO -0.06 0.86 -0.73 0.00 1.06 0.00 0.00 176.91 178.03 1y3j h ALA 40 N 0.87 0.53 -0.28 6.32 0.00 -1.98 -3.48 119.26 121.25 1y3j h ALA 40 Ca 0.11 -0.60 0.00 0.00 0.00 0.00 0.00 54.91 54.42 1y3j h ALA 40 Cb 0.54 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.28 1y3j h ALA 40 CO 0.03 0.74 0.00 0.41 0.00 0.00 0.00 179.25 180.43 1y3j n GLY 41 N 0.57 0.72 3.54 0.00 0.00 0.17 -5.11 105.19 105.08 1y3j n GLY 41 Ca -0.05 -0.44 -0.12 0.00 0.00 0.00 0.00 46.02 45.41 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 -0.92 1.84 -0.29 1.61 -0.14 0.05 -4.70 119.74 117.19 1y3j s LYS 42 Ca 0.00 -1.59 -0.15 0.00 -1.36 0.00 0.00 55.97 52.88 1y3j s LYS 42 Cb 0.00 0.47 0.11 0.00 -1.68 0.00 0.00 37.83 36.72 1y3j s LYS 42 CO 0.00 -0.77 0.74 0.00 -0.76 0.00 0.00 175.35 174.56 1y3j s ALA 43 N -3.25 -2.03 -0.26 5.17 0.00 -1.26 0.13 121.76 120.27 1y3j s ALA 43 Ca 0.27 2.35 -0.02 0.00 0.00 0.00 0.00 51.96 54.57 1y3j s ALA 43 Cb -0.01 -1.59 0.14 0.00 0.00 0.00 0.00 23.12 21.66 1y3j s ALA 43 CO 0.16 -0.54 0.39 -1.83 0.00 0.00 0.00 175.76 173.95 1y3j s GLU 44 N 1.94 0.37 0.49 0.00 1.03 -1.25 -0.46 118.70 120.82 1y3j s GLU 44 Ca -0.08 0.46 -0.14 0.00 0.03 0.00 0.00 54.97 55.23 1y3j s GLU 44 Cb -0.06 -0.40 -0.07 0.00 -0.80 0.00 0.00 34.13 32.80 1y3j s GLU 44 CO -0.19 -0.73 0.93 0.54 -1.33 0.00 0.00 175.26 174.48 1y3j s VAL 45 N 2.56 4.62 -0.12 1.83 0.11 -0.04 -3.88 120.40 125.49 1y3j s VAL 45 Ca 0.12 1.01 0.03 0.00 -2.93 0.00 0.00 61.98 60.22 1y3j s VAL 45 Cb -0.15 -3.74 -0.00 0.00 -1.53 0.00 0.00 36.38 30.96 1y3j s VAL 45 CO -0.19 -0.68 -0.21 -0.60 -3.33 0.00 0.00 175.10 170.08 1y3j s ARG 46 N -4.11 3.11 0.34 1.54 3.52 -1.05 -1.34 118.95 120.96 1y3j s ARG 46 Ca 0.56 -0.83 -0.16 0.00 -0.13 0.00 0.00 55.73 55.16 1y3j s ARG 46 Cb -0.10 -2.40 0.04 0.00 -1.56 0.00 0.00 34.95 30.92 1y3j s ARG 46 CO 0.33 0.14 0.72 1.52 -0.81 0.00 0.00 175.30 177.21 1y3j s TYR 47 N 0.46 0.10 -0.06 5.12 1.13 0.28 -0.39 117.35 123.98 1y3j s TYR 47 Ca -0.15 -0.65 0.01 0.00 -1.41 0.00 0.00 57.07 54.88 1y3j s TYR 47 Cb -0.17 0.69 -0.03 0.00 -1.10 0.00 0.00 41.96 41.35 1y3j s TYR 47 CO 0.06 -1.39 -0.08 0.54 -2.51 0.00 0.00 175.55 172.17 1y3j s ASN 48 N -3.03 4.59 0.00 -0.18 2.20 0.26 -0.38 114.94 118.40 1y3j s ASN 48 Ca 0.15 -0.04 0.21 0.00 -0.94 0.00 0.00 52.86 52.25 1y3j s ASN 48 Cb -0.05 -1.14 0.97 0.00 -2.00 0.00 0.00 41.25 39.04 1y3j s ASN 48 CO 0.10 0.36 1.66 -0.81 -2.94 0.00 0.00 177.10 175.48 1y3j n PRO 49 N 2.22 1.40 -0.11 3.55 -0.04 -1.26 -4.11 135.00 136.64 1y3j n PRO 49 Ca -0.18 -0.60 -0.23 0.00 -0.04 0.00 0.00 63.50 62.46 1y3j n PRO 49 Cb 0.53 -1.37 -0.11 0.00 -0.04 0.00 0.00 33.50 32.51 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 -0.19 0.84 0.45 0.55 0.00 -1.26 -3.27 120.51 117.62 1y3j n ALA 50 Ca 0.16 -0.57 -0.18 0.00 0.00 0.00 0.00 53.44 52.84 1y3j n ALA 50 Cb 0.22 -0.46 -0.09 0.00 0.00 0.00 0.00 19.45 19.12 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 -1.00 0.10 0.04 0.00 2.07 -1.94 -3.39 116.25 112.13 1y3j h VAL 51 Ca -0.39 -0.10 -0.37 0.00 0.82 0.00 0.00 66.70 66.66 1y3j h VAL 51 Cb 1.34 0.11 -0.05 0.00 -1.52 0.00 0.00 31.29 31.17 1y3j h VAL 51 CO -0.24 0.01 -2.20 0.00 0.02 0.00 0.00 177.57 175.16 1y3j n ILE 52 N -5.55 1.59 -0.12 4.57 3.06 -1.26 -5.04 119.36 116.61 1y3j n ILE 52 Ca -0.15 -0.68 0.00 0.00 -2.50 0.00 0.00 62.75 59.43 1y3j n ILE 52 Cb 0.45 -1.32 0.00 0.00 0.54 0.00 0.00 39.64 39.31 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 -3.23 0.00 -0.19 9.51 1.13 -1.20 -4.48 117.38 118.93 1y3j n GLN 53 Ca -0.35 0.12 -0.01 0.00 -1.94 0.00 0.00 57.00 54.82 1y3j n GLN 53 Cb 1.04 0.00 0.08 0.00 0.11 0.00 0.00 30.24 31.47 1y3j n GLN 53 CO 0.00 0.00 0.00 -1.35 -1.44 0.00 0.00 177.06 174.27 1y3j h PRO 54 N 0.00 0.08 -0.30 -1.09 0.11 -1.93 0.22 132.00 129.10 1y3j h PRO 54 Ca 0.00 -0.00 0.06 0.00 0.11 0.00 0.00 66.00 66.17 1y3j h PRO 54 Cb 0.00 -0.02 -0.06 0.00 0.11 0.00 0.00 31.00 31.03 1y3j h PRO 54 CO 0.00 0.05 -0.12 -1.00 -0.21 0.00 0.00 178.00 176.73 1y3j h PRO 55 N 0.08 -0.06 -0.42 1.05 0.13 -1.97 -1.99 132.00 128.81 1y3j h PRO 55 Ca 0.29 0.00 -0.05 0.00 -0.87 0.00 0.00 66.00 65.37 1y3j h PRO 55 Cb 0.45 0.01 -0.02 0.00 0.13 0.00 0.00 31.00 31.58 1y3j h PRO 55 CO -0.51 -0.04 0.07 0.52 -0.23 0.00 0.00 178.00 177.81 1y3j h MET 56 N -0.07 0.70 -0.42 0.86 2.86 -1.32 0.17 114.93 117.71 1y3j h MET 56 Ca 0.15 -0.19 -0.05 0.00 -2.06 0.00 0.00 59.70 57.56 1y3j h MET 56 Cb 0.29 -0.08 -0.02 0.00 0.06 0.00 0.00 31.60 31.85 1y3j h MET 56 CO -0.34 0.74 0.07 0.97 1.06 0.00 0.00 176.91 179.41 1y3j h ILE 57 N 0.56 1.20 0.01 -1.22 2.10 -0.53 0.23 117.51 119.86 1y3j h ILE 57 Ca 0.13 -0.75 -0.00 0.00 1.08 0.00 0.00 64.86 65.32 1y3j h ILE 57 Cb 0.38 0.80 0.00 0.00 -1.09 0.00 0.00 36.82 36.91 1y3j h ILE 57 CO 0.01 0.27 -0.00 0.00 -1.08 0.00 0.00 178.15 177.34 1y3j h ALA 58 N 1.46 -0.01 -0.19 0.18 0.00 -0.79 -3.37 119.26 116.54 1y3j h ALA 58 Ca 0.14 -0.15 -0.15 0.00 0.00 0.00 0.00 54.91 54.75 1y3j h ALA 58 Cb 0.28 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.07 1y3j h ALA 58 CO 0.00 -0.36 -0.52 0.93 0.00 0.00 0.00 179.25 179.30 1y3j h GLU 59 N -0.31 0.54 -0.95 0.00 5.08 0.27 -2.54 114.58 116.67 1y3j h GLU 59 Ca -0.00 -0.32 0.27 0.00 -1.00 0.00 0.00 59.36 58.31 1y3j h GLU 59 Cb 0.30 0.03 -0.14 0.00 0.50 0.00 0.00 28.75 29.44 1y3j h GLU 59 CO 0.00 0.93 0.45 0.74 -1.00 0.00 0.00 179.01 180.12 1y3j h PHE 60 N 0.42 0.73 -0.22 4.33 -1.00 -1.15 0.38 116.94 120.42 1y3j h PHE 60 Ca 0.01 0.04 -0.13 0.00 2.81 0.00 0.00 57.97 60.70 1y3j h PHE 60 Cb 1.05 -0.17 -0.01 0.00 3.61 0.00 0.00 35.95 40.43 1y3j h PHE 60 CO 0.04 -0.14 -0.41 0.82 -1.61 0.00 0.00 178.31 177.01 1y3j h ILE 61 N 0.33 1.30 0.19 -0.55 2.04 -1.63 -0.26 117.51 118.94 1y3j h ILE 61 Ca 0.64 -1.58 -0.01 0.00 1.00 0.00 0.00 64.86 64.92 1y3j h ILE 61 Cb 1.36 1.58 0.00 0.00 -0.74 0.00 0.00 36.82 39.02 1y3j h ILE 61 CO -0.60 0.49 -0.09 0.03 0.00 0.00 0.00 178.15 177.99 1y3j h ARG 62 N 0.44 -0.25 0.04 2.37 3.08 -0.35 0.19 114.38 119.90 1y3j h ARG 62 Ca 0.04 0.02 0.02 0.00 0.07 0.00 0.00 59.98 60.13 1y3j h ARG 62 Cb 0.91 0.06 -0.04 0.00 0.08 0.00 0.00 29.97 30.98 1y3j h ARG 62 CO 0.08 0.06 -0.22 0.93 -1.07 0.00 0.00 179.97 179.75 1y3j h GLU 63 N -0.57 -0.36 0.05 0.04 5.08 -0.68 -3.07 114.58 115.07 1y3j h GLU 63 Ca -0.03 0.02 -0.27 0.00 -1.00 0.00 0.00 59.36 58.09 1y3j h GLU 63 Cb 0.42 0.08 -0.03 0.00 0.50 0.00 0.00 28.75 29.73 1y3j h GLU 63 CO 0.04 -0.24 -1.41 -0.07 -1.00 0.00 0.00 179.01 176.33 1y3j h LEU 64 N -0.37 0.17 0.00 1.33 3.38 -1.12 -3.45 115.31 115.24 1y3j h LEU 64 Ca 0.05 -0.24 0.00 0.00 0.09 0.00 0.00 57.88 57.78 1y3j h LEU 64 Cb 0.43 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 41.12 1y3j h LEU 64 CO -0.17 1.20 0.00 0.61 0.09 0.00 0.00 178.44 180.16 1y3j n GLY 65 N 1.54 0.36 2.00 0.83 0.00 0.47 -5.07 105.19 105.33 1y3j n GLY 65 Ca -0.11 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.91 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 -0.26 -0.32 0.00 1.61 3.72 -0.09 -4.93 117.46 117.19 1y3j n PHE 66 Ca 0.00 0.05 0.00 0.00 -0.05 0.00 0.00 57.45 57.45 1y3j n PHE 66 Cb 0.00 0.52 0.00 0.00 -0.94 0.00 0.00 39.48 39.06 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 1.40 2.74 3.08 1.37 0.00 -1.25 -4.78 105.19 107.76 1y3j n GLY 67 Ca 0.00 -0.04 -0.02 0.00 0.00 0.00 0.00 46.02 45.95 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 -0.79 -1.70 -0.26 4.61 0.00 -1.25 -4.03 121.76 118.33 1y3j s ALA 68 Ca 0.00 1.46 -0.01 0.00 0.00 0.00 0.00 51.96 53.42 1y3j s ALA 68 Cb 0.00 -1.90 0.04 0.00 0.00 0.00 0.00 23.12 21.26 1y3j s ALA 68 CO 0.00 -1.25 -0.07 0.95 0.00 0.00 0.00 175.76 175.39 1y3j s THR 69 N 2.72 2.70 0.18 0.00 -4.23 0.32 -4.87 115.64 112.46 1y3j s THR 69 Ca 0.15 -1.20 -0.28 0.00 -1.18 0.00 0.00 61.69 59.17 1y3j s THR 69 Cb -0.15 -2.43 -0.08 0.00 1.34 0.00 0.00 72.50 71.18 1y3j s THR 69 CO -0.18 0.12 0.89 0.68 -0.54 0.00 0.00 174.62 175.59 1y3j s VAL 70 N 1.27 4.28 0.02 2.29 -7.23 -1.26 -0.16 120.40 119.61 1y3j s VAL 70 Ca -0.02 1.96 -0.07 0.00 -1.81 0.00 0.00 61.98 62.03 1y3j s VAL 70 Cb -0.18 -4.26 -0.00 0.00 0.56 0.00 0.00 36.38 32.50 1y3j s VAL 70 CO -0.05 0.46 0.13 0.27 -0.31 0.00 0.00 175.10 175.61 1y3j s ILE 71 N -0.85 0.10 -0.01 -0.62 -4.36 0.39 -4.95 121.20 110.90 1y3j s ILE 71 Ca 0.41 -0.85 -0.01 0.00 -0.26 0.00 0.00 60.65 59.93 1y3j s ILE 71 Cb -0.24 -0.65 -0.00 0.00 1.25 0.00 0.00 42.46 42.81 1y3j s ILE 71 CO 0.29 -0.47 -0.03 1.21 0.24 0.00 0.00 174.94 176.19 1y3j n GLU 72 N 1.11 0.04 -1.92 0.37 2.13 -1.26 -1.63 120.64 119.48 1y3j n GLU 72 Ca -0.21 0.02 -0.42 0.00 0.66 0.00 0.00 57.16 57.20 1y3j n GLU 72 Cb 0.57 -0.38 -0.03 0.00 0.27 0.00 0.00 31.44 31.87 1y3j n GLU 72 CO 0.00 0.00 0.00 -0.80 -0.41 0.00 0.00 177.13 175.92 1y3j s ASN 73 N -4.63 6.58 -1.26 4.31 -0.87 -1.26 -4.82 114.94 112.99 1y3j s ASN 73 Ca -0.02 2.59 -0.19 0.00 -1.57 0.00 0.00 52.86 53.67 1y3j s ASN 73 Cb 0.00 -2.58 0.01 0.00 -0.02 0.00 0.00 41.25 38.66 1y3j s ASN 73 CO 0.03 -0.85 1.88 -0.38 -2.57 0.00 0.00 177.10 175.20 1y3j n ILE 74 N 4.24 3.26 -1.63 0.60 2.08 -1.26 -4.96 119.36 121.69 1y3j n ILE 74 Ca 0.15 -3.28 -0.42 0.00 0.56 0.00 0.00 62.75 59.76 1y3j n ILE 74 Cb 0.39 -2.35 0.00 0.00 -0.75 0.00 0.00 39.64 36.93 1y3j n ILE 74 CO 0.00 0.00 0.00 -0.62 0.56 0.00 0.00 176.55 176.49 1y3j n GLU 75 N 7.90 1.54 -3.35 0.38 1.02 -1.26 -4.92 120.64 121.96 1y3j n GLU 75 Ca 0.49 0.55 0.00 0.00 -0.02 0.00 0.00 57.16 58.17 1y3j n GLU 75 Cb 0.45 -2.07 0.00 0.00 -0.02 0.00 0.00 31.44 29.80 1y3j n GLU 75 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1y3j n GLY 76 N 1.09 -0.64 0.00 0.62 0.00 -1.26 -5.23 105.19 99.78 1y3j n GLY 76 Ca 0.08 -0.80 0.00 0.00 0.00 0.00 0.00 46.02 45.31 1y3j n GLY 76 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36