#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 6.69 0.74 6.41 0.15 -1.26 -4.94 113.70 121.49 1y3j s SER 2 Ca 0.00 2.59 -0.02 0.00 0.70 0.00 0.00 55.95 59.22 1y3j s SER 2 Cb 0.00 -2.64 0.13 0.00 -1.71 0.00 0.00 66.02 61.80 1y3j s SER 2 CO 0.00 -0.58 1.02 -0.44 1.20 0.00 0.00 173.24 174.44 1y3j s SER 3 N -0.67 4.25 0.01 5.45 0.01 0.90 -4.92 113.70 118.73 1y3j s SER 3 Ca 0.51 -0.28 -0.19 0.00 1.31 0.00 0.00 55.95 57.30 1y3j s SER 3 Cb -0.37 -0.09 0.04 0.00 0.21 0.00 0.00 66.02 65.81 1y3j s SER 3 CO 0.49 -1.93 0.42 -1.59 0.41 0.00 0.00 173.24 171.04 1y3j s LYS 4 N -5.21 0.86 0.05 12.44 0.00 -1.26 -0.77 119.74 125.85 1y3j s LYS 4 Ca 0.67 -0.20 0.01 0.00 0.00 0.00 0.00 55.97 56.45 1y3j s LYS 4 Cb -0.05 0.39 -0.03 0.00 0.00 0.00 0.00 37.83 38.13 1y3j s LYS 4 CO 0.45 -0.27 -0.05 0.00 0.00 0.00 0.00 175.35 175.47 1y3j s TYR 6 N -2.51 3.47 -0.08 0.00 1.51 -0.89 -0.72 117.35 118.13 1y3j s TYR 6 Ca -0.02 0.21 -0.04 0.00 -1.01 0.00 0.00 57.07 56.21 1y3j s TYR 6 Cb -0.02 -1.73 0.04 0.00 -0.11 0.00 0.00 41.96 40.14 1y3j s TYR 6 CO -0.04 0.57 0.18 0.42 -1.11 0.00 0.00 175.55 175.57 1y3j s ILE 7 N -1.52 -0.14 -0.01 2.71 1.01 0.63 -0.27 121.20 123.61 1y3j s ILE 7 Ca 0.34 0.23 -0.21 0.00 0.00 0.00 0.00 60.65 61.01 1y3j s ILE 7 Cb -0.13 -0.30 -0.05 0.00 0.01 0.00 0.00 42.46 41.99 1y3j s ILE 7 CO 0.27 0.10 0.62 -1.58 0.00 0.00 0.00 174.94 174.35 1y3j s GLN 8 N 1.62 4.35 0.40 2.79 2.00 0.79 -0.47 119.66 131.14 1y3j s GLN 8 Ca -0.05 0.78 0.03 0.00 -2.00 0.00 0.00 55.36 54.13 1y3j s GLN 8 Cb -0.12 -3.36 -0.03 0.00 0.80 0.00 0.00 33.01 30.30 1y3j s GLN 8 CO -0.07 0.33 0.10 0.14 -0.50 0.00 0.00 175.29 175.29 1y3j s VAL 9 N -0.07 0.82 0.33 1.34 -7.23 -1.26 -0.82 120.40 113.51 1y3j s VAL 9 Ca 0.32 -2.00 0.07 0.00 -1.81 0.00 0.00 61.98 58.57 1y3j s VAL 9 Cb -0.18 -2.45 -0.03 0.00 0.56 0.00 0.00 36.38 34.27 1y3j s VAL 9 CO 0.18 0.00 0.28 0.28 -0.31 0.00 0.00 175.10 175.52 1y3j s THR 10 N -3.20 0.00 0.00 5.32 -1.32 -1.26 -4.81 115.64 110.37 1y3j s THR 10 Ca 0.25 -2.00 0.00 0.00 -1.21 0.00 0.00 61.69 58.73 1y3j s THR 10 Cb 0.04 -2.50 0.00 0.00 -1.51 0.00 0.00 72.50 68.53 1y3j s THR 10 CO 0.14 0.00 0.00 0.61 -2.21 0.00 0.00 174.62 173.16 1y3j n GLY 11 N -0.62 1.80 4.38 6.08 0.00 -1.26 -4.64 105.19 110.94 1y3j n GLY 11 Ca 0.08 -0.17 0.00 0.00 0.00 0.00 0.00 46.02 45.93 1y3j n GLY 11 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 173.32 173.19 1y3j n MET 12 N 0.00 0.00 -3.20 1.61 1.56 -1.26 -3.39 117.12 112.45 1y3j n MET 12 Ca 0.00 0.00 0.00 0.00 -0.27 0.00 0.00 57.70 57.43 1y3j n MET 12 Cb 0.00 0.00 -0.02 0.00 2.15 0.00 0.00 33.22 35.35 1y3j n MET 12 CO 0.00 0.00 0.00 -0.08 -0.73 0.00 0.00 175.97 175.16 1y3j s THR 13 N 0.00 -0.90 -0.53 1.12 -1.32 -1.26 -4.61 115.64 108.14 1y3j s THR 13 Ca 0.00 -0.09 -0.05 0.00 -1.21 0.00 0.00 61.69 60.34 1y3j s THR 13 Cb 0.00 -0.90 -0.11 0.00 -1.51 0.00 0.00 72.50 69.98 1y3j s THR 13 CO 0.00 -0.08 2.33 0.00 -2.21 0.00 0.00 174.62 174.67 1y3j n ALA 15 N 3.43 -2.65 -1.20 0.00 0.00 -1.26 -4.02 120.51 114.80 1y3j n ALA 15 Ca 0.38 -0.03 -0.02 0.00 0.00 0.00 0.00 53.44 53.77 1y3j n ALA 15 Cb 0.35 -1.33 -0.01 0.00 0.00 0.00 0.00 19.45 18.46 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 -1.97 -2.96 -0.20 0.00 7.64 -1.26 -4.91 113.62 109.97 1y3j n SER 16 Ca -0.13 0.04 0.23 0.00 1.01 0.00 0.00 58.87 60.02 1y3j n SER 16 Cb 0.59 -0.89 0.62 0.00 -1.01 0.00 0.00 64.21 63.52 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 0.19 0.86 -0.58 0.00 -1.51 -1.91 0.83 116.25 114.13 1y3j h VAL 18 Ca 0.44 -0.31 0.09 0.00 -1.23 0.00 0.00 66.70 65.69 1y3j h VAL 18 Cb 1.40 -0.12 -0.07 0.00 -2.13 0.00 0.00 31.29 30.37 1y3j h VAL 18 CO -0.09 0.17 0.19 0.00 -1.23 0.00 0.00 177.57 176.61 1y3j h ALA 19 N 1.55 0.73 0.20 5.19 0.00 -1.21 0.34 119.26 126.06 1y3j h ALA 19 Ca 0.50 0.09 -0.00 0.00 0.00 0.00 0.00 54.91 55.50 1y3j h ALA 19 Cb 0.56 0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.43 1y3j h ALA 19 CO -0.29 -0.23 -0.16 -0.97 0.00 0.00 0.00 179.25 177.60 1y3j h ASN 20 N 0.36 -0.42 0.37 0.00 -1.24 -1.09 -2.02 115.58 111.54 1y3j h ASN 20 Ca 0.30 0.04 -0.00 0.00 0.71 0.00 0.00 56.30 57.34 1y3j h ASN 20 Cb 0.38 0.14 -0.02 0.00 0.73 0.00 0.00 38.32 39.55 1y3j h ASN 20 CO -0.32 -0.25 -0.34 0.40 -1.29 0.00 0.00 177.43 175.64 1y3j h ILE 21 N -0.37 0.31 -0.86 2.57 2.04 0.12 0.28 117.51 121.59 1y3j h ILE 21 Ca -0.01 0.00 0.08 0.00 1.00 0.00 0.00 64.86 65.93 1y3j h ILE 21 Cb 0.34 0.31 -0.10 0.00 -0.74 0.00 0.00 36.82 36.62 1y3j h ILE 21 CO -0.02 0.00 -0.51 -0.62 0.00 0.00 0.00 178.15 177.01 1y3j n GLU 22 N -5.45 -0.38 -0.36 2.37 1.02 0.98 -0.32 120.64 118.50 1y3j n GLU 22 Ca -0.10 1.42 0.11 0.00 -0.02 0.00 0.00 57.16 58.57 1y3j n GLU 22 Cb 0.35 -2.09 0.29 0.00 -0.02 0.00 0.00 31.44 29.97 1y3j n GLU 22 CO 0.00 0.00 0.00 -0.09 1.18 0.00 0.00 177.13 178.22 1y3j h ARG 23 N 0.00 0.83 0.17 3.49 1.12 -0.65 -1.51 114.38 117.83 1y3j h ARG 23 Ca 0.14 -0.05 -0.01 0.00 -1.11 0.00 0.00 59.98 58.95 1y3j h ARG 23 Cb 0.35 -0.19 0.00 0.00 -0.01 0.00 0.00 29.97 30.13 1y3j h ARG 23 CO -0.81 0.55 -0.08 -0.97 -3.11 0.00 0.00 179.97 175.55 1y3j h ASN 24 N 0.85 -0.19 0.26 -3.80 -1.24 0.26 -3.25 115.58 108.47 1y3j h ASN 24 Ca 0.55 -0.34 -0.03 0.00 0.71 0.00 0.00 56.30 57.19 1y3j h ASN 24 Cb 0.75 0.05 -0.00 0.00 0.73 0.00 0.00 38.32 39.85 1y3j h ASN 24 CO -0.34 0.32 -0.15 -0.07 -1.29 0.00 0.00 177.43 175.89 1y3j h LEU 25 N -0.78 0.00 -0.81 0.34 4.07 -0.45 -1.05 115.31 116.63 1y3j h LEU 25 Ca -0.02 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.94 1y3j h LEU 25 Cb 0.52 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.26 1y3j h LEU 25 CO 0.04 0.15 0.00 0.54 -1.08 0.00 0.00 178.44 178.09 1y3j n ARG 26 N -3.97 0.18 -0.31 1.13 1.74 -0.59 -0.22 116.66 114.62 1y3j n ARG 26 Ca -0.02 0.46 0.03 0.00 -0.77 0.00 0.00 57.85 57.55 1y3j n ARG 26 Cb 0.24 -1.87 0.22 0.00 -1.02 0.00 0.00 32.46 30.03 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 1.05 -3.16 5.56 2.47 -1.27 -3.40 114.38 115.63 1y3j h ARG 27 Ca 0.00 -0.06 -0.77 0.00 -1.26 0.00 0.00 59.98 57.88 1y3j h ARG 27 Cb 0.29 -0.24 -0.19 0.00 -1.65 0.00 0.00 29.97 28.18 1y3j h ARG 27 CO 0.00 0.69 1.68 0.39 0.56 0.00 0.00 179.97 183.29 1y3j n GLU 28 N -4.47 4.08 -0.45 0.04 1.02 0.70 -4.92 120.64 116.65 1y3j n GLU 28 Ca 0.13 -3.87 -0.21 0.00 -0.02 0.00 0.00 57.16 53.19 1y3j n GLU 28 Cb 0.16 -2.75 -0.04 0.00 -0.02 0.00 0.00 31.44 28.79 1y3j n GLU 28 CO 0.00 0.00 0.00 -0.85 1.18 0.00 0.00 177.13 177.46 1y3j n GLU 29 N 2.67 0.00 0.00 3.49 0.00 -1.26 -0.50 120.64 125.04 1y3j n GLU 29 Ca 0.39 0.00 0.00 0.00 0.00 0.00 0.00 57.16 57.55 1y3j n GLU 29 Cb 0.33 -0.53 0.00 0.00 0.00 0.00 0.00 31.44 31.24 1y3j n GLU 29 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 1y3j n GLY 30 N 2.65 3.90 3.72 -1.84 0.00 -1.26 -4.23 105.19 108.13 1y3j n GLY 30 Ca 0.20 -0.73 -0.41 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 4.42 -0.16 -0.61 -1.09 0.35 0.10 121.20 124.21 1y3j s ILE 31 Ca 0.00 1.93 0.23 0.00 -2.23 0.00 0.00 60.65 60.58 1y3j s ILE 31 Cb 0.00 -4.23 0.46 0.00 -1.58 0.00 0.00 42.46 37.11 1y3j s ILE 31 CO 0.00 0.26 1.15 0.00 -1.23 0.00 0.00 174.94 175.11 1y3j n TYR 32 N 3.05 0.61 -3.59 3.97 9.36 0.51 -4.91 117.16 126.17 1y3j n TYR 32 Ca 0.04 -1.45 -0.11 0.00 3.32 0.00 0.00 57.90 59.70 1y3j n TYR 32 Cb 0.49 -0.11 -0.06 0.00 -0.63 0.00 0.00 39.34 39.03 1y3j n TYR 32 CO 0.00 0.00 0.00 0.45 0.22 0.00 0.00 176.86 177.53 1y3j s SER 33 N -2.93 -0.43 0.57 2.98 0.15 0.60 -4.72 113.70 109.92 1y3j s SER 33 Ca 0.28 0.58 -0.14 0.00 0.70 0.00 0.00 55.95 57.37 1y3j s SER 33 Cb 0.34 0.50 -0.05 0.00 -1.71 0.00 0.00 66.02 65.10 1y3j s SER 33 CO -0.09 -0.32 1.02 0.27 1.20 0.00 0.00 173.24 175.32 1y3j s ILE 34 N -0.73 4.43 -1.15 6.45 -5.25 -1.26 -3.70 121.20 119.99 1y3j s ILE 34 Ca -0.01 1.02 -0.07 0.00 -0.99 0.00 0.00 60.65 60.60 1y3j s ILE 34 Cb -0.02 -3.69 0.25 0.00 2.95 0.00 0.00 42.46 41.96 1y3j s ILE 34 CO 0.00 -0.81 1.55 0.00 -1.79 0.00 0.00 174.94 173.89 1y3j n LEU 35 N -2.12 6.29 -3.99 0.37 -0.00 -1.22 -4.59 117.00 111.73 1y3j n LEU 35 Ca 0.07 -4.97 -0.16 0.00 -0.00 0.00 0.00 56.01 50.94 1y3j n LEU 35 Cb 0.54 -1.38 -0.14 0.00 -0.00 0.00 0.00 43.42 42.43 1y3j n LEU 35 CO 0.51 1.49 -0.41 -0.69 -0.00 0.00 0.00 177.39 178.28 1y3j s VAL 36 N -1.36 0.51 -0.45 1.47 1.01 -1.26 -3.99 120.40 116.33 1y3j s VAL 36 Ca 0.34 -0.36 0.07 0.00 0.00 0.00 0.00 61.98 62.03 1y3j s VAL 36 Cb 0.04 -0.45 0.33 0.00 0.00 0.00 0.00 36.38 36.29 1y3j s VAL 36 CO 0.05 0.09 1.06 0.00 0.00 0.00 0.00 175.10 176.30 1y3j n ALA 37 N 2.77 -0.34 -0.36 5.51 0.00 0.45 -4.67 120.51 123.87 1y3j n ALA 37 Ca -0.14 -1.76 0.27 0.00 0.00 0.00 0.00 53.44 51.81 1y3j n ALA 37 Cb 0.57 -1.12 0.54 0.00 0.00 0.00 0.00 19.45 19.45 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 2.99 0.40 -0.62 0.00 8.10 -1.82 0.81 115.31 125.17 1y3j h LEU 38 Ca -0.07 0.12 -0.07 0.00 0.11 0.00 0.00 57.88 57.97 1y3j h LEU 38 Cb 1.08 0.07 -0.03 0.00 -0.44 0.00 0.00 40.66 41.35 1y3j h LEU 38 CO 0.19 -0.03 0.13 -0.03 -4.11 0.00 0.00 178.44 174.58 1y3j h MET 39 N 0.29 1.01 0.05 0.17 4.05 -1.92 -0.98 114.93 117.61 1y3j h MET 39 Ca 0.69 -0.26 -0.22 0.00 -0.28 0.00 0.00 59.70 59.64 1y3j h MET 39 Cb 1.86 -0.13 0.02 0.00 -0.80 0.00 0.00 31.60 32.55 1y3j h MET 39 CO -0.39 0.93 -0.88 0.00 0.23 0.00 0.00 176.91 176.80 1y3j h ALA 40 N 1.04 0.03 0.00 0.39 0.00 -1.92 -3.49 119.26 115.31 1y3j h ALA 40 Ca 0.19 -0.66 0.00 0.00 0.00 0.00 0.00 54.91 54.44 1y3j h ALA 40 Cb 0.39 0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.25 1y3j h ALA 40 CO 0.01 0.50 0.00 0.41 0.00 0.00 0.00 179.25 180.16 1y3j n GLY 41 N 1.25 0.82 3.82 0.00 0.00 0.24 -5.14 105.19 106.18 1y3j n GLY 41 Ca -0.12 -0.78 -0.08 0.00 0.00 0.00 0.00 46.02 45.04 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 -1.76 2.10 -0.02 1.61 -2.85 -1.04 -4.76 119.74 113.01 1y3j s LYS 42 Ca 0.00 -1.30 0.03 0.00 -1.00 0.00 0.00 55.97 53.70 1y3j s LYS 42 Cb 0.00 0.62 -0.00 0.00 -2.06 0.00 0.00 37.83 36.39 1y3j s LYS 42 CO 0.00 -0.98 -0.10 0.00 0.10 0.00 0.00 175.35 174.38 1y3j s ALA 43 N -2.79 0.88 -0.23 0.59 0.00 0.38 -0.41 121.76 120.18 1y3j s ALA 43 Ca 0.14 -0.39 -0.00 0.00 0.00 0.00 0.00 51.96 51.71 1y3j s ALA 43 Cb -0.05 -0.29 0.06 0.00 0.00 0.00 0.00 23.12 22.84 1y3j s ALA 43 CO 0.10 0.17 -0.01 -1.83 0.00 0.00 0.00 175.76 174.19 1y3j s GLU 44 N 0.02 1.24 -0.62 0.00 -1.05 -1.26 -0.26 118.70 116.77 1y3j s GLU 44 Ca -0.00 -0.84 -0.25 0.00 -0.15 0.00 0.00 54.97 53.72 1y3j s GLU 44 Cb -0.07 -2.41 0.04 0.00 -0.44 0.00 0.00 34.13 31.25 1y3j s GLU 44 CO 0.00 -0.65 1.08 0.14 0.95 0.00 0.00 175.26 176.78 1y3j s VAL 45 N 1.54 4.14 -0.37 1.83 -7.23 0.10 -3.43 120.40 116.99 1y3j s VAL 45 Ca -0.03 0.31 -0.26 0.00 -1.81 0.00 0.00 61.98 60.20 1y3j s VAL 45 Cb -0.18 -4.70 0.01 0.00 0.56 0.00 0.00 36.38 32.08 1y3j s VAL 45 CO -0.08 -1.41 0.91 -0.60 -0.31 0.00 0.00 175.10 173.61 1y3j s ARG 46 N 4.60 3.83 0.29 4.82 3.52 -1.24 -0.61 118.95 134.15 1y3j s ARG 46 Ca 0.32 0.55 -0.11 0.00 -0.13 0.00 0.00 55.73 56.37 1y3j s ARG 46 Cb -0.11 -3.80 0.00 0.00 -1.56 0.00 0.00 34.95 29.48 1y3j s ARG 46 CO 0.18 -0.94 0.51 1.52 -0.81 0.00 0.00 175.30 175.76 1y3j s TYR 47 N 3.43 0.51 -0.28 5.12 -0.85 0.05 -0.30 117.35 125.04 1y3j s TYR 47 Ca 0.37 -0.87 0.01 0.00 -0.52 0.00 0.00 57.07 56.06 1y3j s TYR 47 Cb -0.12 0.19 0.08 0.00 0.38 0.00 0.00 41.96 42.49 1y3j s TYR 47 CO 0.18 -1.09 0.01 0.54 -1.52 0.00 0.00 175.55 173.67 1y3j s ASN 48 N -3.08 4.10 -1.55 -0.18 2.20 0.11 -0.07 114.94 116.48 1y3j s ASN 48 Ca 0.24 -1.52 -0.11 0.00 -0.94 0.00 0.00 52.86 50.52 1y3j s ASN 48 Cb -0.01 -1.20 -0.05 0.00 -2.00 0.00 0.00 41.25 38.00 1y3j s ASN 48 CO 0.12 -0.32 2.69 -0.81 -2.94 0.00 0.00 177.10 175.84 1y3j n PRO 49 N 4.62 3.36 0.00 3.55 -0.04 -1.26 -3.76 135.00 141.48 1y3j n PRO 49 Ca -0.06 -2.32 0.00 0.00 -0.04 0.00 0.00 63.50 61.08 1y3j n PRO 49 Cb 0.43 -2.96 0.00 0.00 -0.04 0.00 0.00 33.50 30.93 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 4.49 2.96 0.35 0.55 0.00 -1.26 -4.85 120.51 122.75 1y3j n ALA 50 Ca 0.69 0.00 -0.16 0.00 0.00 0.00 0.00 53.44 53.97 1y3j n ALA 50 Cb 0.28 0.23 -0.08 0.00 0.00 0.00 0.00 19.45 19.89 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 0.23 0.00 0.00 2.07 -1.86 -3.47 116.25 113.22 1y3j h VAL 51 Ca 0.00 -0.23 0.00 0.00 0.82 0.00 0.00 66.70 67.29 1y3j h VAL 51 Cb 0.47 0.29 0.00 0.00 -1.52 0.00 0.00 31.29 30.53 1y3j h VAL 51 CO 0.00 0.02 0.00 0.00 0.02 0.00 0.00 177.57 177.61 1y3j n ILE 52 N -5.41 0.00 0.00 4.57 3.06 -1.26 -5.03 119.36 115.29 1y3j n ILE 52 Ca -0.13 0.00 0.00 0.00 -2.50 0.00 0.00 62.75 60.12 1y3j n ILE 52 Cb 0.37 0.00 0.00 0.00 0.54 0.00 0.00 39.64 40.55 1y3j n ILE 52 CO 0.00 0.00 0.00 1.67 -2.50 0.00 0.00 176.55 175.72 1y3j n GLN 53 N 0.00 0.00 -0.23 9.51 -0.06 -1.26 -4.95 117.38 120.38 1y3j n GLN 53 Ca 0.00 0.00 0.01 0.00 -2.00 0.00 0.00 57.00 55.01 1y3j n GLN 53 Cb 0.00 0.00 0.08 0.00 -4.06 0.00 0.00 30.24 26.26 1y3j n GLN 53 CO 0.00 0.00 0.00 -1.35 -0.20 0.00 0.00 177.06 175.51 1y3j h PRO 54 N 0.00 0.01 -0.20 3.69 0.11 -1.95 0.25 132.00 133.93 1y3j h PRO 54 Ca 0.00 -0.00 0.06 0.00 0.11 0.00 0.00 66.00 66.16 1y3j h PRO 54 Cb 0.00 -0.00 -0.07 0.00 0.11 0.00 0.00 31.00 31.04 1y3j h PRO 54 CO 0.00 0.01 -0.29 -1.00 -0.21 0.00 0.00 178.00 176.51 1y3j h PRO 55 N 0.01 -0.31 -0.46 1.05 0.13 -1.98 -1.25 132.00 129.18 1y3j h PRO 55 Ca 0.33 0.02 0.09 0.00 -0.87 0.00 0.00 66.00 65.57 1y3j h PRO 55 Cb 0.52 0.07 -0.08 0.00 0.13 0.00 0.00 31.00 31.64 1y3j h PRO 55 CO -0.69 -0.21 0.00 0.52 -0.23 0.00 0.00 178.00 177.40 1y3j h MET 56 N -0.32 0.11 -0.17 0.86 2.86 -1.47 0.50 114.93 117.30 1y3j h MET 56 Ca 0.12 -0.01 0.05 0.00 -2.06 0.00 0.00 59.70 57.80 1y3j h MET 56 Cb 0.51 -0.03 -0.06 0.00 0.06 0.00 0.00 31.60 32.08 1y3j h MET 56 CO -0.38 0.07 -0.28 0.82 1.06 0.00 0.00 176.91 178.21 1y3j h ILE 57 N 0.12 0.35 -0.26 -1.22 2.04 -0.64 0.29 117.51 118.18 1y3j h ILE 57 Ca 0.23 0.00 -0.03 0.00 1.00 0.00 0.00 64.86 66.06 1y3j h ILE 57 Cb 0.34 0.35 -0.01 0.00 -0.74 0.00 0.00 36.82 36.75 1y3j h ILE 57 CO -0.38 0.00 0.02 0.00 0.00 0.00 0.00 178.15 177.78 1y3j h ALA 58 N 0.59 1.55 0.14 1.87 0.00 -0.01 -3.26 119.26 120.13 1y3j h ALA 58 Ca 0.11 -0.15 -0.01 0.00 0.00 0.00 0.00 54.91 54.87 1y3j h ALA 58 Cb 0.50 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.17 1y3j h ALA 58 CO -0.35 0.33 -0.07 0.93 0.00 0.00 0.00 179.25 180.09 1y3j h GLU 59 N 0.38 -0.18 -0.89 0.00 5.08 0.86 -3.23 114.58 116.61 1y3j h GLU 59 Ca 0.09 0.01 0.24 0.00 -1.00 0.00 0.00 59.36 58.70 1y3j h GLU 59 Cb 0.23 0.04 -0.14 0.00 0.50 0.00 0.00 28.75 29.38 1y3j h GLU 59 CO 0.00 0.26 0.30 0.35 -1.00 0.00 0.00 179.01 178.92 1y3j h PHE 60 N -0.71 0.47 -0.65 4.33 3.57 -1.02 0.52 116.94 123.44 1y3j h PHE 60 Ca -0.02 0.05 0.07 0.00 3.53 0.00 0.00 57.97 61.60 1y3j h PHE 60 Cb 0.52 -0.06 -0.06 0.00 2.79 0.00 0.00 35.95 39.13 1y3j h PHE 60 CO 0.08 -0.17 0.33 0.82 -2.23 0.00 0.00 178.31 177.14 1y3j h ILE 61 N 0.26 0.89 -0.26 1.41 2.04 -1.63 -0.14 117.51 120.08 1y3j h ILE 61 Ca 0.57 -0.20 -0.14 0.00 1.00 0.00 0.00 64.86 66.08 1y3j h ILE 61 Cb 1.14 0.25 -0.00 0.00 -0.74 0.00 0.00 36.82 37.47 1y3j h ILE 61 CO -0.62 0.11 -0.40 0.03 0.00 0.00 0.00 178.15 177.27 1y3j h ARG 62 N 0.59 0.72 -0.96 2.37 3.08 -0.09 0.22 114.38 120.31 1y3j h ARG 62 Ca 0.31 -0.43 0.13 0.00 0.07 0.00 0.00 59.98 60.05 1y3j h ARG 62 Cb 0.28 0.04 -0.08 0.00 0.08 0.00 0.00 29.97 30.29 1y3j h ARG 62 CO -0.23 1.06 0.61 0.93 -1.07 0.00 0.00 179.97 181.27 1y3j h GLU 63 N 0.45 0.86 0.16 0.04 5.08 -0.18 -1.34 114.58 119.66 1y3j h GLU 63 Ca 0.02 -0.05 -0.30 0.00 -1.00 0.00 0.00 59.36 58.03 1y3j h GLU 63 Cb 0.99 -0.19 0.02 0.00 0.50 0.00 0.00 28.75 30.07 1y3j h GLU 63 CO 0.09 0.57 -1.31 -0.07 -1.00 0.00 0.00 179.01 177.29 1y3j h LEU 64 N 0.89 0.65 0.00 1.33 3.38 -0.96 -3.49 115.31 117.11 1y3j h LEU 64 Ca 0.48 -0.67 0.00 0.00 0.09 0.00 0.00 57.88 57.78 1y3j h LEU 64 Cb 0.56 -0.21 0.00 0.00 0.09 0.00 0.00 40.66 41.10 1y3j h LEU 64 CO -0.24 1.51 0.00 0.61 0.09 0.00 0.00 178.44 180.41 1y3j n GLY 65 N 1.53 0.82 3.70 0.83 0.00 0.51 -5.10 105.19 107.49 1y3j n GLY 65 Ca -0.12 -0.05 -0.42 0.00 0.00 0.00 0.00 46.02 45.43 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 3.52 -1.16 1.61 0.40 0.18 -4.76 117.98 117.78 1y3j s PHE 66 Ca 0.00 1.52 -0.22 0.00 -0.60 0.00 0.00 56.93 57.62 1y3j s PHE 66 Cb 0.00 -3.25 -0.09 0.00 0.51 0.00 0.00 43.02 40.19 1y3j s PHE 66 CO 0.00 -0.55 1.93 0.41 0.70 0.00 0.00 175.22 177.71 1y3j n GLY 67 N 3.07 1.22 3.69 4.36 0.00 -1.26 -3.29 105.19 112.98 1y3j n GLY 67 Ca 0.08 -0.76 -0.41 0.00 0.00 0.00 0.00 46.02 44.92 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 10.24 3.39 -0.03 4.61 0.00 -1.26 -4.01 121.76 134.70 1y3j s ALA 68 Ca 0.67 0.20 0.03 0.00 0.00 0.00 0.00 51.96 52.85 1y3j s ALA 68 Cb 0.01 -3.21 0.00 0.00 0.00 0.00 0.00 23.12 19.92 1y3j s ALA 68 CO 0.13 -0.43 -0.10 -0.08 0.00 0.00 0.00 175.76 175.29 1y3j s THR 69 N 1.58 0.84 0.46 0.00 -1.32 -0.01 -4.99 115.64 112.20 1y3j s THR 69 Ca 0.42 -0.39 -0.16 0.00 -1.21 0.00 0.00 61.69 60.35 1y3j s THR 69 Cb -0.18 -0.74 -0.08 0.00 -1.51 0.00 0.00 72.50 69.99 1y3j s THR 69 CO 0.17 0.26 0.90 0.68 -2.21 0.00 0.00 174.62 174.43 1y3j s VAL 70 N 0.16 4.59 -0.07 5.08 -7.23 -1.26 -0.15 120.40 121.52 1y3j s VAL 70 Ca -0.03 1.09 -0.01 0.00 -1.81 0.00 0.00 61.98 61.21 1y3j s VAL 70 Cb -0.09 -3.70 0.03 0.00 0.56 0.00 0.00 36.38 33.19 1y3j s VAL 70 CO 0.01 -0.55 0.01 -0.63 -0.31 0.00 0.00 175.10 173.63 1y3j s ILE 71 N -2.44 0.32 -0.32 -0.62 1.01 0.62 -4.80 121.20 114.96 1y3j s ILE 71 Ca 0.57 0.16 0.16 0.00 0.00 0.00 0.00 60.65 61.54 1y3j s ILE 71 Cb -0.10 -0.49 0.45 0.00 0.01 0.00 0.00 42.46 42.33 1y3j s ILE 71 CO 0.27 0.25 1.27 -1.84 0.00 0.00 0.00 174.94 174.89 1y3j n GLU 72 N 5.16 1.40 -3.60 2.79 0.28 -1.26 -2.09 120.64 123.31 1y3j n GLU 72 Ca -0.07 -2.39 0.00 0.00 -0.16 0.00 0.00 57.16 54.54 1y3j n GLU 72 Cb 0.50 -0.58 -0.01 0.00 1.43 0.00 0.00 31.44 32.78 1y3j n GLU 72 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 177.13 177.51 1y3j s ASN 73 N -2.31 -0.05 0.11 -1.84 4.22 -1.26 -5.11 114.94 108.70 1y3j s ASN 73 Ca 0.20 -0.04 -0.04 0.00 -2.14 0.00 0.00 52.86 50.84 1y3j s ASN 73 Cb 0.40 0.08 -0.03 0.00 1.28 0.00 0.00 41.25 42.99 1y3j s ASN 73 CO -0.06 -0.14 0.10 0.27 -2.04 0.00 0.00 177.10 175.22 1y3j s ILE 74 N -2.22 0.13 0.30 0.54 -4.36 -1.26 -5.15 121.20 109.18 1y3j s ILE 74 Ca 0.13 -1.68 -0.16 0.00 -0.26 0.00 0.00 60.65 58.68 1y3j s ILE 74 Cb 0.03 -1.79 0.06 0.00 1.25 0.00 0.00 42.46 42.01 1y3j s ILE 74 CO -0.04 -0.58 0.80 1.21 0.24 0.00 0.00 174.94 176.57 1y3j n GLU 75 N -0.07 0.91 -3.47 0.37 2.13 -1.26 -5.20 120.64 114.05 1y3j n GLU 75 Ca -0.09 -1.84 -0.12 0.00 0.66 0.00 0.00 57.16 55.77 1y3j n GLU 75 Cb 0.63 2.34 -0.03 0.00 0.27 0.00 0.00 31.44 34.65 1y3j n GLU 75 CO 0.00 0.00 0.00 0.20 -0.41 0.00 0.00 177.13 176.92 1y3j s GLY 76 N -3.05 -0.55 0.00 8.31 0.00 -1.26 -5.32 107.32 105.45 1y3j s GLY 76 Ca 0.17 0.47 0.00 0.00 0.00 0.00 0.00 44.72 45.36 1y3j s GLY 76 CO 0.09 0.15 0.00 -2.13 0.00 0.00 0.00 173.10 171.21