#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 -0.27 0.03 6.41 1.04 -1.26 -4.72 113.70 114.92 1y3j s SER 2 Ca 0.00 0.13 -0.21 0.00 0.48 0.00 0.00 55.95 56.35 1y3j s SER 2 Cb 0.00 0.26 0.05 0.00 0.10 0.00 0.00 66.02 66.43 1y3j s SER 2 CO 0.00 -0.37 0.49 -0.44 0.98 0.00 0.00 173.24 173.90 1y3j s SER 3 N -1.83 -0.40 0.41 7.02 0.01 0.91 -4.95 113.70 114.87 1y3j s SER 3 Ca 0.04 0.17 -0.01 0.00 1.31 0.00 0.00 55.95 57.46 1y3j s SER 3 Cb -0.01 0.46 -0.03 0.00 0.21 0.00 0.00 66.02 66.66 1y3j s SER 3 CO -0.04 -0.68 0.65 -0.54 0.41 0.00 0.00 173.24 173.04 1y3j s LYS 4 N -2.26 3.40 0.10 12.44 1.02 -1.26 -0.88 119.74 132.30 1y3j s LYS 4 Ca -0.06 -0.20 -0.19 0.00 0.02 0.00 0.00 55.97 55.54 1y3j s LYS 4 Cb -0.01 -2.55 0.04 0.00 -0.52 0.00 0.00 37.83 34.80 1y3j s LYS 4 CO -0.00 -0.06 0.46 0.00 -0.92 0.00 0.00 175.35 174.83 1y3j s TYR 6 N -3.21 3.55 -0.19 0.00 2.02 -0.06 -1.60 117.35 117.85 1y3j s TYR 6 Ca -0.01 0.46 -0.00 0.00 -0.37 0.00 0.00 57.07 57.15 1y3j s TYR 6 Cb 0.00 -1.91 0.05 0.00 -0.40 0.00 0.00 41.96 39.70 1y3j s TYR 6 CO -0.08 0.60 -0.05 0.42 -1.57 0.00 0.00 175.55 174.87 1y3j s ILE 7 N -1.38 1.22 -0.14 2.71 -1.09 0.55 -0.37 121.20 122.70 1y3j s ILE 7 Ca 0.30 -0.81 -0.27 0.00 -2.23 0.00 0.00 60.65 57.64 1y3j s ILE 7 Cb -0.13 -1.44 -0.01 0.00 -1.58 0.00 0.00 42.46 39.30 1y3j s ILE 7 CO 0.19 0.05 0.91 -1.58 -1.23 0.00 0.00 174.94 173.28 1y3j s GLN 8 N 1.57 4.35 -0.38 2.79 2.00 0.43 -2.55 119.66 127.87 1y3j s GLN 8 Ca -0.01 1.19 0.02 0.00 -2.00 0.00 0.00 55.36 54.55 1y3j s GLN 8 Cb -0.16 -3.56 0.11 0.00 0.80 0.00 0.00 33.01 30.19 1y3j s GLN 8 CO -0.07 -0.32 0.12 0.54 -0.50 0.00 0.00 175.29 175.06 1y3j s VAL 9 N 2.09 2.65 -0.74 1.34 0.11 -1.26 -1.02 120.40 123.55 1y3j s VAL 9 Ca 0.43 -2.35 -0.26 0.00 -2.93 0.00 0.00 61.98 56.87 1y3j s VAL 9 Cb -0.17 -2.89 -0.06 0.00 -1.53 0.00 0.00 36.38 31.73 1y3j s VAL 9 CO 0.15 -0.65 2.05 -0.89 -3.33 0.00 0.00 175.10 172.43 1y3j s THR 10 N 0.86 3.29 0.00 5.04 2.01 0.05 -1.31 115.64 125.58 1y3j s THR 10 Ca 0.11 -0.09 0.00 0.00 0.31 0.00 0.00 61.69 62.02 1y3j s THR 10 Cb -0.21 -3.70 0.00 0.00 0.01 0.00 0.00 72.50 68.60 1y3j s THR 10 CO -0.06 -0.67 0.00 0.61 -0.69 0.00 0.00 174.62 173.81 1y3j n GLY 11 N 6.39 -0.48 0.31 4.40 0.00 -1.26 -2.84 105.19 111.71 1y3j n GLY 11 Ca 0.35 0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.46 1y3j n GLY 11 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1y3j h MET 12 N 0.00 0.08 -0.15 1.61 -0.00 -1.56 0.35 114.93 115.25 1y3j h MET 12 Ca 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 59.70 59.70 1y3j h MET 12 Cb 0.00 -0.02 0.00 0.00 -0.00 0.00 0.00 31.60 31.58 1y3j h MET 12 CO 0.00 0.05 0.00 -2.37 -0.00 0.00 0.00 176.91 174.59 1y3j n THR 13 N -5.39 0.00 -0.31 -0.10 5.66 -1.26 -1.84 114.28 111.04 1y3j n THR 13 Ca 0.18 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.18 1y3j n THR 13 Cb 0.60 -0.19 0.13 0.00 -1.55 0.00 0.00 70.33 69.33 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 -2.35 -0.76 0.00 0.00 0.00 -0.77 -4.88 120.51 111.75 1y3j n ALA 15 Ca 0.12 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.56 1y3j n ALA 15 Cb 0.16 -0.39 0.00 0.00 0.00 0.00 0.00 19.45 19.22 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 -0.99 0.00 0.27 0.00 7.64 -1.26 -4.67 113.62 114.60 1y3j n SER 16 Ca 0.00 0.00 0.18 0.00 1.01 0.00 0.00 58.87 60.06 1y3j n SER 16 Cb 0.00 0.00 0.90 0.00 -1.01 0.00 0.00 64.21 64.10 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 0.07 -0.60 0.00 -1.51 -1.89 0.28 116.25 112.59 1y3j h VAL 18 Ca 0.00 -0.02 0.10 0.00 -1.23 0.00 0.00 66.70 65.56 1y3j h VAL 18 Cb 0.13 0.01 -0.08 0.00 -2.13 0.00 0.00 31.29 29.22 1y3j h VAL 18 CO 0.00 0.01 0.17 0.00 -1.23 0.00 0.00 177.57 176.52 1y3j h ALA 19 N 1.96 0.74 0.15 5.19 0.00 -1.03 0.28 119.26 126.55 1y3j h ALA 19 Ca 0.68 0.11 -0.00 0.00 0.00 0.00 0.00 54.91 55.70 1y3j h ALA 19 Cb 1.58 0.12 -0.01 0.00 0.00 0.00 0.00 17.79 19.48 1y3j h ALA 19 CO -0.82 -0.26 -0.11 -0.97 0.00 0.00 0.00 179.25 177.09 1y3j h ASN 20 N 0.32 -0.27 0.33 0.00 -1.24 -0.74 -0.96 115.58 113.02 1y3j h ASN 20 Ca 0.31 0.02 -0.00 0.00 0.71 0.00 0.00 56.30 57.34 1y3j h ASN 20 Cb 0.43 0.08 -0.03 0.00 0.73 0.00 0.00 38.32 39.53 1y3j h ASN 20 CO -0.36 -0.17 -0.50 0.40 -1.29 0.00 0.00 177.43 175.52 1y3j h ILE 21 N -0.26 0.04 -0.66 2.57 1.08 0.19 0.18 117.51 120.64 1y3j h ILE 21 Ca -0.01 0.00 0.06 0.00 -0.39 0.00 0.00 64.86 64.52 1y3j h ILE 21 Cb 0.23 0.04 -0.09 0.00 -3.07 0.00 0.00 36.82 33.93 1y3j h ILE 21 CO 0.00 0.00 -0.52 -0.33 -0.69 0.00 0.00 178.15 176.62 1y3j h GLU 22 N -0.87 -0.15 -0.09 2.37 5.08 -0.46 -0.50 114.58 119.95 1y3j h GLU 22 Ca -0.03 0.01 -0.00 0.00 -1.00 0.00 0.00 59.36 58.34 1y3j h GLU 22 Cb 0.81 0.03 -0.00 0.00 0.50 0.00 0.00 28.75 30.09 1y3j h GLU 22 CO -0.16 -0.10 0.05 -0.09 -1.00 0.00 0.00 179.01 177.71 1y3j h ARG 23 N -0.16 0.13 -0.00 2.33 1.12 -0.78 0.49 114.38 117.51 1y3j h ARG 23 Ca 0.11 -0.02 0.02 0.00 -1.11 0.00 0.00 59.98 58.98 1y3j h ARG 23 Cb 0.44 -0.03 -0.05 0.00 -0.01 0.00 0.00 29.97 30.32 1y3j h ARG 23 CO -0.71 0.19 -0.52 -0.91 -3.11 0.00 0.00 179.97 174.91 1y3j h ASN 24 N 0.05 -1.62 0.34 -3.80 2.35 -0.20 -1.98 115.58 110.71 1y3j h ASN 24 Ca 0.03 0.18 -0.12 0.00 -0.55 0.00 0.00 56.30 55.84 1y3j h ASN 24 Cb 0.09 0.61 -0.01 0.00 0.05 0.00 0.00 38.32 39.06 1y3j h ASN 24 CO -0.00 -0.51 -0.52 -0.07 -1.65 0.00 0.00 177.43 174.68 1y3j h LEU 25 N -0.65 0.21 0.00 1.61 -0.00 -1.02 0.45 115.31 115.92 1y3j h LEU 25 Ca 0.01 -0.11 0.00 0.00 -0.00 0.00 0.00 57.88 57.78 1y3j h LEU 25 Cb 0.70 -0.06 0.00 0.00 -0.00 0.00 0.00 40.66 41.30 1y3j h LEU 25 CO -0.35 0.69 0.00 0.54 -0.00 0.00 0.00 178.44 179.32 1y3j n ARG 26 N -3.94 0.15 -0.46 1.13 1.74 0.15 -0.79 116.66 114.65 1y3j n ARG 26 Ca -0.02 0.00 0.38 0.00 -0.77 0.00 0.00 57.85 57.44 1y3j n ARG 26 Cb 0.55 -1.34 0.68 0.00 -1.02 0.00 0.00 32.46 31.33 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 0.10 -0.52 5.56 2.47 -0.16 -3.47 114.38 118.36 1y3j h ARG 27 Ca 0.00 -0.01 -0.02 0.00 -1.26 0.00 0.00 59.98 58.69 1y3j h ARG 27 Cb 0.00 -0.02 0.00 0.00 -1.65 0.00 0.00 29.97 28.30 1y3j h ARG 27 CO 0.00 0.06 -0.03 0.39 0.56 0.00 0.00 179.97 180.95 1y3j n GLU 28 N -4.47 -0.21 -1.32 0.04 1.02 0.03 -4.96 120.64 110.77 1y3j n GLU 28 Ca 0.35 0.05 -0.42 0.00 -0.02 0.00 0.00 57.16 57.12 1y3j n GLU 28 Cb 1.43 -3.33 -0.04 0.00 -0.02 0.00 0.00 31.44 29.48 1y3j n GLU 28 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 1y3j n GLU 29 N -1.00 1.95 -2.12 3.49 1.02 -1.26 -3.94 120.64 118.78 1y3j n GLU 29 Ca -0.01 -2.07 -0.13 0.00 -0.02 0.00 0.00 57.16 54.93 1y3j n GLU 29 Cb 0.51 -3.02 -0.01 0.00 -0.02 0.00 0.00 31.44 28.90 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 4.36 0.06 3.87 0.62 0.00 -1.26 -4.72 105.19 108.12 1y3j n GLY 30 Ca 0.51 -0.33 -0.37 0.00 0.00 0.00 0.00 46.02 45.82 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 -2.65 5.39 -0.31 -0.61 -1.09 -1.25 -0.14 121.20 120.54 1y3j s ILE 31 Ca 0.00 0.36 0.18 0.00 -2.23 0.00 0.00 60.65 58.96 1y3j s ILE 31 Cb 0.00 -3.48 0.46 0.00 -1.58 0.00 0.00 42.46 37.86 1y3j s ILE 31 CO 0.00 0.60 1.25 -1.22 -1.23 0.00 0.00 174.94 174.35 1y3j n TYR 32 N 1.92 -0.21 -3.57 3.97 4.02 0.51 -4.90 117.16 118.89 1y3j n TYR 32 Ca -0.18 -2.08 -0.12 0.00 -0.01 0.00 0.00 57.90 55.51 1y3j n TYR 32 Cb 0.54 0.51 -0.05 0.00 -0.02 0.00 0.00 39.34 40.32 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 -2.58 -0.44 0.40 7.72 0.15 -0.71 -4.71 113.70 113.53 1y3j s SER 33 Ca 0.21 0.50 -0.16 0.00 0.70 0.00 0.00 55.95 57.20 1y3j s SER 33 Cb 0.39 0.39 -0.09 0.00 -1.71 0.00 0.00 66.02 65.00 1y3j s SER 33 CO -0.06 -0.39 0.84 0.27 1.20 0.00 0.00 173.24 175.10 1y3j s ILE 34 N -1.04 4.60 -1.25 6.45 -5.25 -1.26 -3.13 121.20 120.32 1y3j s ILE 34 Ca -0.03 1.06 -0.14 0.00 -0.99 0.00 0.00 60.65 60.55 1y3j s ILE 34 Cb -0.01 -3.65 0.14 0.00 2.95 0.00 0.00 42.46 41.90 1y3j s ILE 34 CO 0.03 -0.37 1.58 0.00 -1.79 0.00 0.00 174.94 174.39 1y3j n LEU 35 N -0.83 5.38 -3.96 0.37 -0.00 -1.25 -4.58 117.00 112.14 1y3j n LEU 35 Ca 0.05 -4.35 -0.17 0.00 -0.00 0.00 0.00 56.01 51.53 1y3j n LEU 35 Cb 0.54 -1.63 -0.15 0.00 -0.00 0.00 0.00 43.42 42.17 1y3j n LEU 35 CO 0.42 0.69 -0.41 -0.69 -0.00 0.00 0.00 177.39 177.40 1y3j s VAL 36 N 2.06 0.50 -0.43 1.47 1.01 -1.26 -3.92 120.40 119.82 1y3j s VAL 36 Ca 0.45 -0.23 0.08 0.00 0.00 0.00 0.00 61.98 62.28 1y3j s VAL 36 Cb 0.01 -0.45 0.34 0.00 0.00 0.00 0.00 36.38 36.27 1y3j s VAL 36 CO 0.02 0.16 1.08 0.00 0.00 0.00 0.00 175.10 176.35 1y3j n ALA 37 N 3.19 0.07 0.24 5.51 0.00 0.76 -4.58 120.51 125.70 1y3j n ALA 37 Ca -0.16 -1.83 0.07 0.00 0.00 0.00 0.00 53.44 51.53 1y3j n ALA 37 Cb 0.56 -1.09 0.58 0.00 0.00 0.00 0.00 19.45 19.49 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 2.88 0.00 -0.96 0.00 6.46 -1.92 0.16 115.31 121.93 1y3j h LEU 38 Ca -0.09 0.00 0.27 0.00 -0.12 0.00 0.00 57.88 57.94 1y3j h LEU 38 Cb 1.10 0.00 -0.14 0.00 -0.73 0.00 0.00 40.66 40.90 1y3j h LEU 38 CO 0.18 0.16 0.48 0.24 -0.62 0.00 0.00 178.44 178.88 1y3j h MET 39 N 0.00 0.37 0.12 1.25 2.86 -1.95 -1.18 114.93 116.40 1y3j h MET 39 Ca -0.00 -0.02 -0.34 0.00 -2.06 0.00 0.00 59.70 57.28 1y3j h MET 39 Cb 0.30 -0.08 -0.01 0.00 0.06 0.00 0.00 31.60 31.87 1y3j h MET 39 CO 0.02 0.24 -1.80 0.00 1.06 0.00 0.00 176.91 176.44 1y3j h ALA 40 N 1.78 0.33 0.00 6.32 0.00 -1.54 -3.49 119.26 122.65 1y3j h ALA 40 Ca 0.65 -1.28 0.00 0.00 0.00 0.00 0.00 54.91 54.27 1y3j h ALA 40 Cb 1.35 0.63 0.00 0.00 0.00 0.00 0.00 17.79 19.77 1y3j h ALA 40 CO -0.57 1.13 0.00 0.41 0.00 0.00 0.00 179.25 180.22 1y3j n GLY 41 N 1.88 0.74 3.59 0.00 0.00 0.39 -5.14 105.19 106.65 1y3j n GLY 41 Ca -0.30 -0.26 -0.12 0.00 0.00 0.00 0.00 46.02 45.35 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 0.01 1.84 -0.15 1.61 1.02 -0.81 -4.73 119.74 118.54 1y3j s LYS 42 Ca 0.00 -1.51 -0.05 0.00 0.02 0.00 0.00 55.97 54.43 1y3j s LYS 42 Cb 0.00 0.49 0.07 0.00 -0.52 0.00 0.00 37.83 37.87 1y3j s LYS 42 CO 0.00 -0.79 0.30 0.00 -0.92 0.00 0.00 175.35 173.94 1y3j s ALA 43 N -3.27 -0.68 -0.36 5.17 0.00 -1.06 -0.17 121.76 121.40 1y3j s ALA 43 Ca 0.25 1.02 0.01 0.00 0.00 0.00 0.00 51.96 53.24 1y3j s ALA 43 Cb -0.01 -1.11 0.11 0.00 0.00 0.00 0.00 23.12 22.10 1y3j s ALA 43 CO 0.14 -0.71 0.13 -1.83 0.00 0.00 0.00 175.76 173.50 1y3j s GLU 44 N 2.46 1.08 0.36 0.00 -1.05 -1.25 -0.33 118.70 119.97 1y3j s GLU 44 Ca 0.01 -1.56 -0.21 0.00 -0.15 0.00 0.00 54.97 53.06 1y3j s GLU 44 Cb -0.12 -2.40 -0.10 0.00 -0.44 0.00 0.00 34.13 31.06 1y3j s GLU 44 CO -0.10 -1.03 0.89 0.54 0.95 0.00 0.00 175.26 176.51 1y3j s VAL 45 N 1.05 4.41 -0.10 1.83 0.11 -0.63 -3.76 120.40 123.31 1y3j s VAL 45 Ca 0.12 1.46 0.03 0.00 -2.93 0.00 0.00 61.98 60.66 1y3j s VAL 45 Cb -0.20 -3.74 0.01 0.00 -1.53 0.00 0.00 36.38 30.92 1y3j s VAL 45 CO -0.14 -0.12 -0.19 -0.60 -3.33 0.00 0.00 175.10 170.73 1y3j s ARG 46 N -2.72 2.55 0.33 1.54 3.52 -1.18 -1.86 118.95 121.13 1y3j s ARG 46 Ca 0.55 -0.70 -0.16 0.00 -0.13 0.00 0.00 55.73 55.30 1y3j s ARG 46 Cb -0.13 -2.04 0.03 0.00 -1.56 0.00 0.00 34.95 31.26 1y3j s ARG 46 CO 0.17 0.05 0.70 1.52 -0.81 0.00 0.00 175.30 176.93 1y3j s TYR 47 N 0.67 0.15 -0.40 5.12 1.13 -0.05 -0.36 117.35 123.60 1y3j s TYR 47 Ca -0.12 -0.67 -0.07 0.00 -1.41 0.00 0.00 57.07 54.79 1y3j s TYR 47 Cb -0.16 0.63 0.08 0.00 -1.10 0.00 0.00 41.96 41.41 1y3j s TYR 47 CO 0.03 -1.36 0.22 1.21 -2.51 0.00 0.00 175.55 173.14 1y3j s ASN 48 N -3.03 5.46 -1.06 -0.18 2.47 0.80 -0.07 114.94 119.33 1y3j s ASN 48 Ca 0.16 -1.60 -0.22 0.00 0.42 0.00 0.00 52.86 51.62 1y3j s ASN 48 Cb -0.04 -1.92 -0.10 0.00 -1.45 0.00 0.00 41.25 37.74 1y3j s ASN 48 CO 0.11 -0.51 1.92 -0.81 -3.72 0.00 0.00 177.10 174.09 1y3j n PRO 49 N 4.81 1.69 0.00 0.43 -0.04 -1.26 -2.50 135.00 138.12 1y3j n PRO 49 Ca -0.09 -2.32 0.00 0.00 -0.04 0.00 0.00 63.50 61.05 1y3j n PRO 49 Cb 0.43 -3.45 0.00 0.00 -0.04 0.00 0.00 33.50 30.44 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 11.65 0.00 -0.12 0.55 0.00 -1.26 -4.93 120.51 126.40 1y3j n ALA 50 Ca 0.47 0.00 -0.09 0.00 0.00 0.00 0.00 53.44 53.82 1y3j n ALA 50 Cb 0.44 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 19.88 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 1.18 0.00 0.00 2.07 -1.88 -3.43 116.25 114.19 1y3j h VAL 51 Ca 0.00 -0.52 0.00 0.00 0.82 0.00 0.00 66.70 67.00 1y3j h VAL 51 Cb 0.00 0.83 0.00 0.00 -1.52 0.00 0.00 31.29 30.60 1y3j h VAL 51 CO 0.00 0.19 0.00 0.00 0.02 0.00 0.00 177.57 177.78 1y3j n ILE 52 N -4.70 0.00 0.00 4.57 0.13 -1.23 -5.02 119.36 113.11 1y3j n ILE 52 Ca -0.01 0.11 0.00 0.00 -1.10 0.00 0.00 62.75 61.76 1y3j n ILE 52 Cb 0.12 -1.01 0.00 0.00 -0.84 0.00 0.00 39.64 37.92 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 -2.06 0.00 -0.23 9.51 1.13 -1.26 -4.68 117.38 119.79 1y3j n GLN 53 Ca 0.00 0.00 -0.04 0.00 -1.94 0.00 0.00 57.00 55.02 1y3j n GLN 53 Cb 0.00 0.00 0.02 0.00 0.11 0.00 0.00 30.24 30.37 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 -0.12 -0.53 -1.09 0.11 -1.97 0.18 132.00 128.58 1y3j h PRO 54 Ca 0.00 0.01 0.09 0.00 0.11 0.00 0.00 66.00 66.21 1y3j h PRO 54 Cb 0.00 0.03 -0.07 0.00 0.11 0.00 0.00 31.00 31.06 1y3j h PRO 54 CO 0.00 -0.08 0.11 -1.00 -0.21 0.00 0.00 178.00 176.82 1y3j h PRO 55 N -0.12 0.23 -0.31 1.05 0.13 -1.99 -0.21 132.00 130.79 1y3j h PRO 55 Ca 0.26 -0.01 -0.01 0.00 -0.87 0.00 0.00 66.00 65.37 1y3j h PRO 55 Cb 0.56 -0.05 -0.01 0.00 0.13 0.00 0.00 31.00 31.62 1y3j h PRO 55 CO -0.73 0.16 0.15 0.52 -0.23 0.00 0.00 178.00 177.86 1y3j h MET 56 N 0.24 0.44 -0.44 0.86 2.86 -1.20 0.29 114.93 117.98 1y3j h MET 56 Ca 0.27 -0.07 -0.01 0.00 -2.06 0.00 0.00 59.70 57.83 1y3j h MET 56 Cb 0.37 -0.08 -0.02 0.00 0.06 0.00 0.00 31.60 31.93 1y3j h MET 56 CO -0.35 0.42 0.23 -0.84 1.06 0.00 0.00 176.91 177.43 1y3j h ILE 57 N 0.36 1.17 -0.11 -1.22 3.07 -0.50 1.00 117.51 121.27 1y3j h ILE 57 Ca 0.11 -0.45 0.04 0.00 1.55 0.00 0.00 64.86 66.11 1y3j h ILE 57 Cb 0.12 0.67 -0.05 0.00 -0.27 0.00 0.00 36.82 37.29 1y3j h ILE 57 CO -0.01 0.18 -0.19 0.00 -1.05 0.00 0.00 178.15 177.07 1y3j h ALA 58 N 1.08 -0.15 -0.14 0.16 0.00 -0.68 -1.53 119.26 117.99 1y3j h ALA 58 Ca 0.15 0.04 -0.00 0.00 0.00 0.00 0.00 54.91 55.10 1y3j h ALA 58 Cb 0.08 0.38 -0.01 0.00 0.00 0.00 0.00 17.79 18.24 1y3j h ALA 58 CO -0.02 -0.65 0.08 0.93 0.00 0.00 0.00 179.25 179.58 1y3j h GLU 59 N -0.25 0.19 -0.91 0.00 4.39 -0.82 -2.10 114.58 115.08 1y3j h GLU 59 Ca 0.09 -0.02 0.24 0.00 0.34 0.00 0.00 59.36 60.01 1y3j h GLU 59 Cb 0.39 -0.04 -0.13 0.00 -0.10 0.00 0.00 28.75 28.87 1y3j h GLU 59 CO -0.26 0.20 0.40 0.35 -1.16 0.00 0.00 179.01 178.54 1y3j h PHE 60 N 0.13 0.67 -0.55 4.33 3.57 -0.38 0.40 116.94 125.11 1y3j h PHE 60 Ca 0.05 0.04 -0.11 0.00 3.53 0.00 0.00 57.97 61.48 1y3j h PHE 60 Cb 0.06 -0.15 -0.02 0.00 2.79 0.00 0.00 35.95 38.64 1y3j h PHE 60 CO -0.04 -0.08 -0.09 0.82 -2.23 0.00 0.00 178.31 176.69 1y3j h ILE 61 N 0.38 1.27 0.05 1.41 2.04 -0.89 -3.19 117.51 118.58 1y3j h ILE 61 Ca 0.59 -1.25 -0.00 0.00 1.00 0.00 0.00 64.86 65.20 1y3j h ILE 61 Cb 1.15 0.94 0.00 0.00 -0.74 0.00 0.00 36.82 38.18 1y3j h ILE 61 CO -0.55 0.44 -0.02 0.03 0.00 0.00 0.00 178.15 178.05 1y3j h ARG 62 N 0.91 -0.06 -0.72 2.37 3.08 0.29 0.27 114.38 120.51 1y3j h ARG 62 Ca 0.15 0.00 0.11 0.00 0.07 0.00 0.00 59.98 60.31 1y3j h ARG 62 Cb 0.66 0.01 -0.12 0.00 0.08 0.00 0.00 29.97 30.60 1y3j h ARG 62 CO 0.05 0.18 -0.39 0.93 -1.07 0.00 0.00 179.97 179.66 1y3j h GLU 63 N -0.30 -0.12 0.00 0.04 5.08 -0.58 -2.97 114.58 115.73 1y3j h GLU 63 Ca -0.01 0.01 -0.35 0.00 -1.00 0.00 0.00 59.36 58.01 1y3j h GLU 63 Cb 0.27 0.03 -0.06 0.00 0.50 0.00 0.00 28.75 29.49 1y3j h GLU 63 CO 0.01 -0.08 -2.22 1.47 -1.00 0.00 0.00 179.01 177.19 1y3j n LEU 64 N -5.43 0.51 0.00 1.33 -0.00 -1.22 -4.97 117.00 107.22 1y3j n LEU 64 Ca 0.05 0.10 0.00 0.00 -0.00 0.00 0.00 56.01 56.15 1y3j n LEU 64 Cb 0.36 0.27 0.00 0.00 -0.00 0.00 0.00 43.42 44.05 1y3j n LEU 64 CO -0.05 0.52 0.00 0.61 -0.00 0.00 0.00 177.39 178.47 1y3j n GLY 65 N 1.75 0.27 3.21 1.47 0.00 0.65 -5.12 105.19 107.42 1y3j n GLY 65 Ca -0.30 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.62 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 0.02 -1.13 1.61 0.08 0.42 -4.90 117.98 114.09 1y3j s PHE 66 Ca 0.00 -0.27 -0.23 0.00 0.12 0.00 0.00 56.93 56.55 1y3j s PHE 66 Cb 0.00 0.01 -0.08 0.00 -0.57 0.00 0.00 43.02 42.38 1y3j s PHE 66 CO 0.00 -0.48 1.93 0.20 -0.10 0.00 0.00 175.22 176.77 1y3j s GLY 67 N -2.26 0.21 0.27 4.36 0.00 -1.13 -3.15 107.32 105.62 1y3j s GLY 67 Ca -0.03 -2.04 -0.23 0.00 0.00 0.00 0.00 44.72 42.42 1y3j s GLY 67 CO -0.05 3.52 0.84 0.00 0.00 0.00 0.00 173.10 177.41 1y3j s ALA 68 N 10.67 3.31 -0.04 3.20 0.00 -1.26 -0.77 121.76 136.86 1y3j s ALA 68 Ca 0.68 0.35 -0.04 0.00 0.00 0.00 0.00 51.96 52.96 1y3j s ALA 68 Cb -0.02 -3.01 0.01 0.00 0.00 0.00 0.00 23.12 20.10 1y3j s ALA 68 CO 0.10 0.25 0.11 -0.08 0.00 0.00 0.00 175.76 176.13 1y3j s THR 69 N -1.57 -0.00 0.28 0.00 -1.32 -0.19 -4.97 115.64 107.87 1y3j s THR 69 Ca 0.47 0.00 -0.21 0.00 -1.21 0.00 0.00 61.69 60.74 1y3j s THR 69 Cb -0.18 -0.15 -0.09 0.00 -1.51 0.00 0.00 72.50 70.57 1y3j s THR 69 CO 0.22 0.00 0.81 0.68 -2.21 0.00 0.00 174.62 174.12 1y3j s VAL 70 N 0.06 4.47 0.01 5.08 -7.23 -1.26 -0.43 120.40 121.09 1y3j s VAL 70 Ca -0.00 1.41 -0.02 0.00 -1.81 0.00 0.00 61.98 61.56 1y3j s VAL 70 Cb -0.01 -3.85 -0.01 0.00 0.56 0.00 0.00 36.38 33.08 1y3j s VAL 70 CO 0.00 0.10 0.02 -0.63 -0.31 0.00 0.00 175.10 174.28 1y3j s ILE 71 N -1.66 0.08 0.04 -0.62 -1.09 0.50 -4.87 121.20 113.58 1y3j s ILE 71 Ca 0.48 -0.66 -0.17 0.00 -2.23 0.00 0.00 60.65 58.07 1y3j s ILE 71 Cb -0.16 -0.25 0.06 0.00 -1.58 0.00 0.00 42.46 40.52 1y3j s ILE 71 CO 0.21 -0.36 0.77 -1.84 -1.23 0.00 0.00 174.94 172.48 1y3j n GLU 72 N 1.90 0.24 -3.56 2.79 0.28 -1.26 -0.88 120.64 120.14 1y3j n GLU 72 Ca -0.21 -0.69 -0.13 0.00 -0.16 0.00 0.00 57.16 55.98 1y3j n GLU 72 Cb 0.56 1.02 -0.04 0.00 1.43 0.00 0.00 31.44 34.41 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 -2.74 -0.41 0.75 -1.84 2.47 -1.26 -5.07 114.94 106.84 1y3j s ASN 73 Ca 0.18 0.01 -0.11 0.00 0.42 0.00 0.00 52.86 53.35 1y3j s ASN 73 Cb -0.01 0.51 0.04 0.00 -1.45 0.00 0.00 41.25 40.34 1y3j s ASN 73 CO 0.01 -0.81 1.08 -0.51 -3.72 0.00 0.00 177.10 173.16 1y3j s ILE 74 N -3.08 3.47 0.04 -5.21 2.07 -1.26 -5.10 121.20 112.12 1y3j s ILE 74 Ca -0.02 0.48 0.00 0.00 -1.41 0.00 0.00 60.65 59.70 1y3j s ILE 74 Cb -0.00 -3.24 -0.03 0.00 0.13 0.00 0.00 42.46 39.33 1y3j s ILE 74 CO -0.07 -0.62 -0.04 -0.70 -1.91 0.00 0.00 174.94 171.60 1y3j s GLU 75 N -5.12 0.45 0.00 3.50 -6.30 -1.26 -5.16 118.70 104.81 1y3j s GLU 75 Ca 0.60 -0.82 0.00 0.00 -2.50 0.00 0.00 54.97 52.24 1y3j s GLU 75 Cb -0.14 0.06 0.00 0.00 0.00 0.00 0.00 34.13 34.05 1y3j s GLU 75 CO 0.54 -0.05 0.00 0.41 0.02 0.00 0.00 175.26 176.19 1y3j n GLY 76 N 1.12 -1.40 0.00 -1.50 0.00 -1.26 -5.37 105.19 96.78 1y3j n GLY 76 Ca -0.21 -1.22 0.00 0.00 0.00 0.00 0.00 46.02 44.59 1y3j n GLY 76 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19