#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 -5.74 -3.86 6.41 7.64 -1.26 -5.07 113.62 111.74 1y3j n SER 2 Ca 0.00 1.19 -0.08 0.00 1.01 0.00 0.00 58.87 60.99 1y3j n SER 2 Cb 0.00 -3.38 -0.03 0.00 -1.01 0.00 0.00 64.21 59.79 1y3j n SER 2 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 1y3j s SER 3 N -5.44 -0.18 0.10 6.43 0.01 0.20 -4.90 113.70 109.91 1y3j s SER 3 Ca 0.00 -0.74 0.05 0.00 1.31 0.00 0.00 55.95 56.57 1y3j s SER 3 Cb 0.00 0.69 -0.03 0.00 0.21 0.00 0.00 66.02 66.89 1y3j s SER 3 CO 0.00 -1.30 -0.13 -0.75 0.41 0.00 0.00 173.24 171.47 1y3j s LYS 4 N -3.87 0.91 0.06 12.44 2.20 -1.26 -0.94 119.74 129.27 1y3j s LYS 4 Ca 0.15 -1.10 -0.11 0.00 -0.36 0.00 0.00 55.97 54.54 1y3j s LYS 4 Cb -0.04 -0.81 0.01 0.00 -1.51 0.00 0.00 37.83 35.48 1y3j s LYS 4 CO 0.08 0.16 0.25 0.00 -0.36 0.00 0.00 175.35 175.48 1y3j s TYR 6 N -2.92 3.20 -0.00 0.00 2.02 -1.25 -1.87 117.35 116.52 1y3j s TYR 6 Ca -0.02 0.17 0.01 0.00 -0.37 0.00 0.00 57.07 56.85 1y3j s TYR 6 Cb 0.01 -1.85 -0.00 0.00 -0.40 0.00 0.00 41.96 39.72 1y3j s TYR 6 CO -0.06 0.42 -0.02 0.42 -1.57 0.00 0.00 175.55 174.74 1y3j s ILE 7 N -0.66 0.19 -0.17 2.71 1.01 0.04 -0.50 121.20 123.83 1y3j s ILE 7 Ca 0.11 -0.10 0.01 0.00 0.00 0.00 0.00 60.65 60.67 1y3j s ILE 7 Cb -0.12 -0.17 0.02 0.00 0.01 0.00 0.00 42.46 42.20 1y3j s ILE 7 CO 0.02 0.06 -0.16 -1.10 0.00 0.00 0.00 174.94 173.76 1y3j s GLN 8 N -0.01 2.55 -0.07 2.79 -0.21 0.40 -0.13 119.66 124.99 1y3j s GLN 8 Ca 0.00 -0.71 0.02 0.00 0.02 0.00 0.00 55.36 54.70 1y3j s GLN 8 Cb -0.02 -2.33 -0.03 0.00 1.00 0.00 0.00 33.01 31.64 1y3j s GLN 8 CO -0.00 -0.25 -0.11 0.08 -2.12 0.00 0.00 175.29 172.89 1y3j s VAL 9 N 1.39 3.37 0.13 1.09 1.01 -1.26 -0.81 120.40 125.33 1y3j s VAL 9 Ca 0.04 -0.60 -0.14 0.00 0.00 0.00 0.00 61.98 61.28 1y3j s VAL 9 Cb -0.13 -2.36 -0.02 0.00 0.00 0.00 0.00 36.38 33.86 1y3j s VAL 9 CO -0.11 0.59 1.55 0.74 0.00 0.00 0.00 175.10 177.87 1y3j h THR 10 N 4.41 1.27 -0.95 3.92 2.02 -1.42 -3.28 112.91 118.88 1y3j h THR 10 Ca -0.45 -1.11 -0.36 0.00 0.77 0.00 0.00 66.41 65.26 1y3j h THR 10 Cb 1.17 1.16 -0.40 0.00 -1.74 0.00 0.00 68.15 68.34 1y3j h THR 10 CO 0.52 0.37 -1.16 0.61 0.37 0.00 0.00 175.52 176.23 1y3j n GLY 11 N -0.27 1.83 0.00 2.16 0.00 -1.26 -4.77 105.19 102.87 1y3j n GLY 11 Ca -0.01 -1.35 0.00 0.00 0.00 0.00 0.00 46.02 44.66 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 -0.16 0.00 -4.71 1.61 0.00 -1.24 -3.21 117.12 109.41 1y3j n MET 12 Ca 0.11 0.00 -0.31 0.00 0.00 0.00 0.00 57.70 57.50 1y3j n MET 12 Cb 0.81 0.00 -0.17 0.00 0.00 0.00 0.00 33.22 33.86 1y3j n MET 12 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 175.97 175.89 1y3j s THR 13 N -3.58 1.84 -0.81 1.12 -1.32 -1.26 -2.87 115.64 108.75 1y3j s THR 13 Ca 0.00 -0.86 0.02 0.00 -1.21 0.00 0.00 61.69 59.64 1y3j s THR 13 Cb 0.00 -1.63 0.30 0.00 -1.51 0.00 0.00 72.50 69.66 1y3j s THR 13 CO 0.00 0.51 1.22 0.00 -2.21 0.00 0.00 174.62 174.14 1y3j n ALA 15 N 0.44 0.00 -0.22 0.00 0.00 -1.26 -4.30 120.51 115.16 1y3j n ALA 15 Ca 0.33 0.00 0.01 0.00 0.00 0.00 0.00 53.44 53.78 1y3j n ALA 15 Cb 0.35 0.00 0.09 0.00 0.00 0.00 0.00 19.45 19.89 1y3j n ALA 15 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.50 178.27 1y3j h SER 16 N 0.00 -0.50 0.90 0.00 0.02 -1.94 -3.37 113.55 108.66 1y3j h SER 16 Ca 0.00 0.19 -0.00 0.00 -0.84 0.00 0.00 61.79 61.14 1y3j h SER 16 Cb 0.00 0.37 -0.00 0.00 0.14 0.00 0.00 62.40 62.91 1y3j h SER 16 CO 0.00 -0.19 -0.01 0.00 -1.14 0.00 0.00 176.83 175.49 1y3j h VAL 18 N 0.00 0.78 -0.00 0.00 2.07 -1.69 0.19 116.25 117.60 1y3j h VAL 18 Ca -0.00 -0.24 0.02 0.00 0.82 0.00 0.00 66.70 67.30 1y3j h VAL 18 Cb 0.46 0.01 -0.03 0.00 -1.52 0.00 0.00 31.29 30.21 1y3j h VAL 18 CO 0.00 0.13 -0.15 0.00 0.02 0.00 0.00 177.57 177.57 1y3j h ALA 19 N 1.60 -0.17 0.29 1.67 0.00 -1.12 -0.17 119.26 121.37 1y3j h ALA 19 Ca 0.50 0.01 -0.01 0.00 0.00 0.00 0.00 54.91 55.41 1y3j h ALA 19 Cb 0.83 0.26 -0.01 0.00 0.00 0.00 0.00 17.79 18.88 1y3j h ALA 19 CO -0.26 -0.64 -0.20 -0.97 0.00 0.00 0.00 179.25 177.18 1y3j h ASN 20 N -0.25 -0.50 -0.08 0.00 -1.24 -0.97 0.34 115.58 112.88 1y3j h ASN 20 Ca 0.05 0.03 0.02 0.00 0.71 0.00 0.00 56.30 57.12 1y3j h ASN 20 Cb 0.31 0.15 -0.06 0.00 0.73 0.00 0.00 38.32 39.46 1y3j h ASN 20 CO -0.15 -0.31 -0.50 0.40 -1.29 0.00 0.00 177.43 175.59 1y3j h ILE 21 N -0.48 0.00 -0.19 2.57 2.04 -0.72 0.25 117.51 120.98 1y3j h ILE 21 Ca -0.02 0.00 0.04 0.00 1.00 0.00 0.00 64.86 65.87 1y3j h ILE 21 Cb 0.41 0.00 -0.07 0.00 -0.74 0.00 0.00 36.82 36.42 1y3j h ILE 21 CO 0.01 0.00 -0.54 -0.33 0.00 0.00 0.00 178.15 177.29 1y3j h GLU 22 N -0.57 -0.52 -0.97 2.37 5.08 -0.76 -0.29 114.58 118.93 1y3j h GLU 22 Ca 0.02 0.04 0.13 0.00 -1.00 0.00 0.00 59.36 58.54 1y3j h GLU 22 Cb 0.64 0.12 -0.08 0.00 0.50 0.00 0.00 28.75 29.93 1y3j h GLU 22 CO -0.38 -0.35 0.61 0.00 -1.00 0.00 0.00 179.01 177.90 1y3j h ARG 23 N -0.54 0.88 0.70 2.33 -0.00 -0.62 -0.78 114.38 116.36 1y3j h ARG 23 Ca 0.05 -0.05 -0.03 0.00 -0.50 0.00 0.00 59.98 59.44 1y3j h ARG 23 Cb 0.66 -0.20 0.01 0.00 0.00 0.00 0.00 29.97 30.44 1y3j h ARG 23 CO -0.47 0.58 -0.34 -0.91 0.00 0.00 0.00 179.97 178.83 1y3j h ASN 24 N 0.91 -0.80 -0.08 7.04 2.35 0.26 -3.39 115.58 121.86 1y3j h ASN 24 Ca 0.48 0.03 -0.18 0.00 -0.55 0.00 0.00 56.30 56.08 1y3j h ASN 24 Cb 0.55 0.21 0.01 0.00 0.05 0.00 0.00 38.32 39.14 1y3j h ASN 24 CO -0.25 -0.46 -0.63 -0.07 -1.65 0.00 0.00 177.43 174.37 1y3j h LEU 25 N -1.17 0.70 -1.73 1.61 -0.00 -0.57 -3.35 115.31 110.80 1y3j h LEU 25 Ca -0.10 -0.67 0.00 0.00 -0.00 0.00 0.00 57.88 57.11 1y3j h LEU 25 Cb 0.73 -0.21 0.00 0.00 -0.00 0.00 0.00 40.66 41.18 1y3j h LEU 25 CO 0.16 1.26 0.00 -0.09 -0.00 0.00 0.00 178.44 179.77 1y3j h ARG 26 N 0.19 0.00 -0.35 1.13 2.43 -1.34 -3.21 114.38 113.23 1y3j h ARG 26 Ca -0.06 0.00 0.04 0.00 -0.81 0.00 0.00 59.98 59.16 1y3j h ARG 26 Cb 1.29 0.00 -0.07 0.00 -0.42 0.00 0.00 29.97 30.77 1y3j h ARG 26 CO 0.13 0.00 -0.47 0.00 -1.51 0.00 0.00 179.97 178.12 1y3j h ARG 27 N 0.00 -0.32 0.00 0.20 3.08 -1.77 -3.43 114.38 112.13 1y3j h ARG 27 Ca 0.00 0.02 0.00 0.00 0.07 0.00 0.00 59.98 60.07 1y3j h ARG 27 Cb 0.35 0.07 0.00 0.00 0.08 0.00 0.00 29.97 30.48 1y3j h ARG 27 CO 0.00 -0.22 0.00 -0.85 -1.07 0.00 0.00 179.97 177.83 1y3j n GLU 28 N -4.96 0.00 -2.20 0.04 0.28 -1.22 -5.07 120.64 107.51 1y3j n GLU 28 Ca -0.03 0.00 -0.40 0.00 -0.16 0.00 0.00 57.16 56.57 1y3j n GLU 28 Cb 0.29 0.00 0.03 0.00 1.43 0.00 0.00 31.44 33.19 1y3j n GLU 28 CO 0.00 0.00 0.00 -1.91 -0.16 0.00 0.00 177.13 175.06 1y3j n GLU 29 N 0.00 3.68 -1.03 3.44 4.07 -1.21 -4.59 120.64 125.00 1y3j n GLU 29 Ca 0.00 -3.97 -0.04 0.00 -0.06 0.00 0.00 57.16 53.09 1y3j n GLU 29 Cb 0.12 -2.33 -0.02 0.00 -0.06 0.00 0.00 31.44 29.14 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 -0.37 0.40 3.90 8.31 0.00 -1.26 -4.89 105.19 111.28 1y3j n GLY 30 Ca 0.51 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 46.24 1y3j n GLY 30 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1y3j s ILE 31 N -1.26 4.35 -0.32 -0.61 -5.25 -1.26 -0.02 121.20 116.82 1y3j s ILE 31 Ca 0.00 0.30 0.17 0.00 -0.99 0.00 0.00 60.65 60.13 1y3j s ILE 31 Cb 0.00 -3.70 0.45 0.00 2.95 0.00 0.00 42.46 42.16 1y3j s ILE 31 CO 0.00 -0.77 1.15 -1.22 -1.79 0.00 0.00 174.94 172.31 1y3j n TYR 32 N -2.53 0.03 -3.83 1.37 4.01 0.45 -4.79 117.16 111.87 1y3j n TYR 32 Ca 0.03 -2.30 -0.06 0.00 -0.16 0.00 0.00 57.90 55.42 1y3j n TYR 32 Cb 0.56 0.31 0.01 0.00 -0.31 0.00 0.00 39.34 39.91 1y3j n TYR 32 CO 0.00 0.00 0.00 -1.12 -0.46 0.00 0.00 176.86 175.28 1y3j s SER 33 N -2.66 -0.07 -0.11 7.72 0.01 -1.01 -4.79 113.70 112.79 1y3j s SER 33 Ca 0.24 -0.77 -0.04 0.00 1.31 0.00 0.00 55.95 56.69 1y3j s SER 33 Cb 0.41 0.64 -0.04 0.00 0.21 0.00 0.00 66.02 67.25 1y3j s SER 33 CO -0.03 -1.25 0.04 0.27 0.41 0.00 0.00 173.24 172.68 1y3j s ILE 34 N -2.66 4.62 -1.32 1.44 -5.25 -1.26 -4.54 121.20 112.23 1y3j s ILE 34 Ca 0.16 -0.12 -0.14 0.00 -0.99 0.00 0.00 60.65 59.57 1y3j s ILE 34 Cb -0.04 -2.98 -0.04 0.00 2.95 0.00 0.00 42.46 42.36 1y3j s ILE 34 CO 0.07 0.59 2.35 0.00 -1.79 0.00 0.00 174.94 176.16 1y3j n LEU 35 N 2.31 6.65 -4.00 0.37 -0.00 -1.25 -4.59 117.00 116.49 1y3j n LEU 35 Ca -0.19 -3.85 -0.17 0.00 -0.00 0.00 0.00 56.01 51.81 1y3j n LEU 35 Cb 0.54 -1.48 -0.14 0.00 -0.00 0.00 0.00 43.42 42.33 1y3j n LEU 35 CO 0.30 1.04 -0.42 -0.69 -0.00 0.00 0.00 177.39 177.62 1y3j s VAL 36 N 3.28 0.57 -0.43 1.47 1.01 -1.26 -3.54 120.40 121.50 1y3j s VAL 36 Ca 0.54 -0.35 0.08 0.00 0.00 0.00 0.00 61.98 62.25 1y3j s VAL 36 Cb 0.15 -0.49 0.29 0.00 0.00 0.00 0.00 36.38 36.33 1y3j s VAL 36 CO -0.04 0.13 0.83 0.00 0.00 0.00 0.00 175.10 176.02 1y3j n ALA 37 N 2.83 0.53 -0.25 5.51 0.00 0.85 -4.45 120.51 125.53 1y3j n ALA 37 Ca -0.14 -2.40 -0.04 0.00 0.00 0.00 0.00 53.44 50.87 1y3j n ALA 37 Cb 0.57 -1.06 0.07 0.00 0.00 0.00 0.00 19.45 19.03 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 3.45 0.74 -1.25 0.00 6.46 -1.95 0.37 115.31 123.12 1y3j h LEU 38 Ca -0.02 -0.01 0.36 0.00 -0.12 0.00 0.00 57.88 58.10 1y3j h LEU 38 Cb 1.00 -0.17 -0.13 0.00 -0.73 0.00 0.00 40.66 40.63 1y3j h LEU 38 CO 0.35 0.52 0.71 0.24 -0.62 0.00 0.00 178.44 179.64 1y3j h MET 39 N 0.88 0.21 0.00 1.25 2.86 -1.95 0.97 114.93 119.15 1y3j h MET 39 Ca 0.27 -0.01 0.00 0.00 -2.06 0.00 0.00 59.70 57.90 1y3j h MET 39 Cb -0.02 -0.05 0.00 0.00 0.06 0.00 0.00 31.60 31.59 1y3j h MET 39 CO -0.09 0.14 -0.90 0.00 1.06 0.00 0.00 176.91 177.12 1y3j n ALA 40 N -2.43 4.42 -1.47 6.32 0.00 0.93 -5.00 120.51 123.28 1y3j n ALA 40 Ca 0.33 -0.54 0.00 0.00 0.00 0.00 0.00 53.44 53.23 1y3j n ALA 40 Cb 1.17 -0.86 0.00 0.00 0.00 0.00 0.00 19.45 19.76 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 0.98 3.83 0.00 0.00 0.77 -5.05 105.19 107.21 1y3j n GLY 41 Ca 0.04 -0.47 -0.07 0.00 0.00 0.00 0.00 46.02 45.52 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 -3.06 1.95 -0.08 1.61 -2.85 -0.99 -4.67 119.74 111.64 1y3j s LYS 42 Ca 0.00 -1.25 0.04 0.00 -1.00 0.00 0.00 55.97 53.76 1y3j s LYS 42 Cb 0.00 0.55 -0.01 0.00 -2.06 0.00 0.00 37.83 36.31 1y3j s LYS 42 CO 0.00 -0.91 -0.22 0.00 0.10 0.00 0.00 175.35 174.32 1y3j s ALA 43 N -2.32 2.28 -0.58 0.59 0.00 0.82 -0.11 121.76 122.45 1y3j s ALA 43 Ca 0.17 -0.99 0.04 0.00 0.00 0.00 0.00 51.96 51.18 1y3j s ALA 43 Cb -0.04 -0.83 0.16 0.00 0.00 0.00 0.00 23.12 22.41 1y3j s ALA 43 CO 0.09 0.36 0.40 -2.00 0.00 0.00 0.00 175.76 174.61 1y3j s GLU 44 N 0.04 1.88 0.07 0.00 2.12 -1.23 -0.78 118.70 120.80 1y3j s GLU 44 Ca -0.09 -2.79 -0.27 0.00 0.36 0.00 0.00 54.97 52.18 1y3j s GLU 44 Cb -0.15 -2.79 -0.06 0.00 0.26 0.00 0.00 34.13 31.39 1y3j s GLU 44 CO 0.06 -1.27 0.83 0.54 -0.54 0.00 0.00 175.26 174.87 1y3j s VAL 45 N -0.73 4.66 -0.15 3.70 0.11 -0.78 -3.88 120.40 123.33 1y3j s VAL 45 Ca 0.25 1.77 -0.01 0.00 -2.93 0.00 0.00 61.98 61.06 1y3j s VAL 45 Cb -0.08 -4.18 -0.01 0.00 -1.53 0.00 0.00 36.38 30.58 1y3j s VAL 45 CO -0.13 0.35 -0.10 -0.60 -3.33 0.00 0.00 175.10 171.28 1y3j s ARG 46 N -0.03 3.41 0.34 1.54 3.52 -1.26 -1.35 118.95 125.12 1y3j s ARG 46 Ca 0.41 -0.65 -0.15 0.00 -0.13 0.00 0.00 55.73 55.21 1y3j s ARG 46 Cb -0.21 -2.75 0.03 0.00 -1.56 0.00 0.00 34.95 30.46 1y3j s ARG 46 CO 0.25 0.12 0.70 1.52 -0.81 0.00 0.00 175.30 177.08 1y3j s TYR 47 N 0.61 0.17 -0.42 5.12 1.13 -0.12 -0.41 117.35 123.43 1y3j s TYR 47 Ca -0.06 -0.70 0.03 0.00 -1.41 0.00 0.00 57.07 54.93 1y3j s TYR 47 Cb -0.15 0.63 0.12 0.00 -1.10 0.00 0.00 41.96 41.45 1y3j s TYR 47 CO 0.03 -1.37 0.16 1.21 -2.51 0.00 0.00 175.55 173.08 1y3j s ASN 48 N -3.04 4.35 -0.97 -0.18 2.47 0.97 0.59 114.94 119.12 1y3j s ASN 48 Ca 0.17 -2.51 -0.22 0.00 0.42 0.00 0.00 52.86 50.72 1y3j s ASN 48 Cb -0.04 -1.47 -0.11 0.00 -1.45 0.00 0.00 41.25 38.18 1y3j s ASN 48 CO 0.11 -0.31 1.94 -0.81 -3.72 0.00 0.00 177.10 174.31 1y3j n PRO 49 N 3.76 1.71 0.03 0.43 -0.04 -1.26 -2.98 135.00 136.65 1y3j n PRO 49 Ca 0.04 -2.17 0.00 0.00 -0.04 0.00 0.00 63.50 61.34 1y3j n PRO 49 Cb 0.37 -3.23 0.00 0.00 -0.04 0.00 0.00 33.50 30.60 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 9.64 1.96 0.17 0.55 0.00 -1.26 -4.76 120.51 126.81 1y3j n ALA 50 Ca 0.48 0.00 -0.15 0.00 0.00 0.00 0.00 53.44 53.77 1y3j n ALA 50 Cb 0.43 0.00 -0.08 0.00 0.00 0.00 0.00 19.45 19.80 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 0.17 0.00 0.00 2.07 -1.92 -3.41 116.25 113.16 1y3j h VAL 51 Ca 0.00 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.52 1y3j h VAL 51 Cb 0.00 0.17 0.00 0.00 -1.52 0.00 0.00 31.29 29.94 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 -5.48 0.00 0.00 4.57 3.06 -1.25 -5.00 119.36 115.26 1y3j n ILE 52 Ca -0.09 0.45 0.00 0.00 -2.50 0.00 0.00 62.75 60.61 1y3j n ILE 52 Cb 0.39 -1.42 0.00 0.00 0.54 0.00 0.00 39.64 39.15 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 -2.25 0.00 -0.11 9.51 3.00 -1.26 -4.54 117.38 121.73 1y3j n GLN 53 Ca 0.00 0.00 -0.05 0.00 -0.01 0.00 0.00 57.00 56.94 1y3j n GLN 53 Cb 0.00 0.00 0.01 0.00 0.00 0.00 0.00 30.24 30.25 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 -0.06 -0.45 -1.09 0.11 -1.97 0.22 132.00 128.75 1y3j h PRO 54 Ca 0.00 0.00 0.08 0.00 0.11 0.00 0.00 66.00 66.19 1y3j h PRO 54 Cb 0.00 0.01 -0.10 0.00 0.11 0.00 0.00 31.00 31.03 1y3j h PRO 54 CO 0.00 -0.04 -0.38 -1.00 -0.21 0.00 0.00 178.00 176.37 1y3j h PRO 55 N -0.07 -0.26 -0.49 1.05 0.13 -1.99 -1.49 132.00 128.87 1y3j h PRO 55 Ca 0.19 0.02 -0.03 0.00 -0.87 0.00 0.00 66.00 65.31 1y3j h PRO 55 Cb 0.36 0.06 -0.02 0.00 0.13 0.00 0.00 31.00 31.52 1y3j h PRO 55 CO -0.43 -0.17 0.17 0.52 -0.23 0.00 0.00 178.00 177.85 1y3j h MET 56 N -0.27 0.72 -0.46 0.86 2.86 -1.33 0.14 114.93 117.45 1y3j h MET 56 Ca 0.17 -0.11 -0.13 0.00 -2.06 0.00 0.00 59.70 57.56 1y3j h MET 56 Cb 0.56 -0.13 -0.01 0.00 0.06 0.00 0.00 31.60 32.09 1y3j h MET 56 CO -0.59 0.62 -0.24 0.97 1.06 0.00 0.00 176.91 178.73 1y3j h ILE 57 N 0.71 1.27 0.51 -1.22 2.10 -0.29 -0.03 117.51 120.56 1y3j h ILE 57 Ca 0.17 -1.40 -0.02 0.00 1.08 0.00 0.00 64.86 64.68 1y3j h ILE 57 Cb 0.19 1.17 -0.00 0.00 -1.09 0.00 0.00 36.82 37.08 1y3j h ILE 57 CO -0.01 0.48 -0.28 0.00 -1.08 0.00 0.00 178.15 177.26 1y3j h ALA 58 N 0.89 -0.74 -0.64 0.18 0.00 -0.54 -3.21 119.26 115.20 1y3j h ALA 58 Ca 0.10 -0.15 0.13 0.00 0.00 0.00 0.00 54.91 54.99 1y3j h ALA 58 Cb 0.81 0.33 -0.10 0.00 0.00 0.00 0.00 17.79 18.83 1y3j h ALA 58 CO 0.07 -0.92 0.09 0.93 0.00 0.00 0.00 179.25 179.42 1y3j h GLU 59 N -0.74 0.20 -0.92 0.00 5.08 -0.60 0.89 114.58 118.49 1y3j h GLU 59 Ca -0.06 -0.01 0.25 0.00 -1.00 0.00 0.00 59.36 58.54 1y3j h GLU 59 Cb 0.59 -0.05 -0.14 0.00 0.50 0.00 0.00 28.75 29.65 1y3j h GLU 59 CO 0.09 0.13 0.37 0.35 -1.00 0.00 0.00 179.01 178.95 1y3j h PHE 60 N 0.21 0.60 -0.04 4.33 3.04 -1.00 0.15 116.94 124.22 1y3j h PHE 60 Ca 0.34 0.04 -0.13 0.00 3.98 0.00 0.00 57.97 62.20 1y3j h PHE 60 Cb 0.55 -0.12 0.01 0.00 2.56 0.00 0.00 35.95 38.95 1y3j h PHE 60 CO -0.29 -0.15 -0.49 0.82 -2.02 0.00 0.00 178.31 176.18 1y3j h ILE 61 N 0.30 1.42 0.57 1.41 2.04 -0.88 -3.37 117.51 119.00 1y3j h ILE 61 Ca 0.60 -1.93 -0.02 0.00 1.00 0.00 0.00 64.86 64.51 1y3j h ILE 61 Cb 1.24 2.44 -0.01 0.00 -0.74 0.00 0.00 36.82 39.75 1y3j h ILE 61 CO -0.60 0.56 -0.40 0.03 0.00 0.00 0.00 178.15 177.74 1y3j h ARG 62 N -0.08 -0.89 0.67 2.37 2.47 -0.03 0.12 114.38 119.00 1y3j h ARG 62 Ca -0.05 0.06 -0.03 0.00 -1.26 0.00 0.00 59.98 58.71 1y3j h ARG 62 Cb 1.17 0.20 -0.01 0.00 -1.65 0.00 0.00 29.97 29.69 1y3j h ARG 62 CO 0.10 -0.59 -0.44 0.93 0.56 0.00 0.00 179.97 180.53 1y3j h GLU 63 N -0.92 -1.01 0.09 0.04 5.08 -0.94 -2.78 114.58 114.14 1y3j h GLU 63 Ca -0.08 0.07 -0.29 0.00 -1.00 0.00 0.00 59.36 58.06 1y3j h GLU 63 Cb 0.75 0.23 -0.01 0.00 0.50 0.00 0.00 28.75 30.22 1y3j h GLU 63 CO 0.05 -0.68 -1.48 1.37 -1.00 0.00 0.00 179.01 177.27 1y3j h LEU 64 N -1.05 0.30 0.00 1.33 -0.00 -1.74 -3.45 115.31 110.70 1y3j h LEU 64 Ca -0.08 -0.41 0.00 0.00 -0.00 0.00 0.00 57.88 57.38 1y3j h LEU 64 Cb 0.86 -0.10 0.00 0.00 -0.00 0.00 0.00 40.66 41.42 1y3j h LEU 64 CO 0.06 1.34 0.00 0.61 -0.00 0.00 0.00 178.44 180.46 1y3j n GLY 65 N 1.61 0.45 0.16 0.17 0.00 -0.49 -5.11 105.19 101.98 1y3j n GLY 65 Ca -0.14 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.88 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 0.00 0.00 0.00 1.61 3.72 0.29 -4.94 117.46 118.14 1y3j n PHE 66 Ca 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.40 1y3j n PHE 66 Cb 0.00 0.04 0.00 0.00 -0.94 0.00 0.00 39.48 38.58 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 1.32 2.90 2.89 1.37 0.00 -1.26 -4.73 105.19 107.68 1y3j n GLY 67 Ca 0.00 0.09 -0.15 0.00 0.00 0.00 0.00 46.02 45.96 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 0.00 -0.41 -0.29 4.61 0.00 -1.26 -0.94 121.76 123.46 1y3j s ALA 68 Ca 0.00 0.66 -0.17 0.00 0.00 0.00 0.00 51.96 52.45 1y3j s ALA 68 Cb 0.00 -1.09 -0.02 0.00 0.00 0.00 0.00 23.12 22.00 1y3j s ALA 68 CO 0.00 -0.82 0.47 0.95 0.00 0.00 0.00 175.76 176.37 1y3j s THR 69 N 2.37 5.08 -0.21 0.00 -4.23 0.01 -4.90 115.64 113.77 1y3j s THR 69 Ca 0.04 0.63 -0.26 0.00 -1.18 0.00 0.00 61.69 60.92 1y3j s THR 69 Cb -0.13 -3.83 -0.00 0.00 1.34 0.00 0.00 72.50 69.87 1y3j s THR 69 CO -0.09 0.02 0.88 -0.69 -0.54 0.00 0.00 174.62 174.20 1y3j s VAL 70 N 2.27 4.81 -0.43 2.29 1.01 -1.26 -0.45 120.40 128.63 1y3j s VAL 70 Ca 0.19 1.70 0.06 0.00 0.00 0.00 0.00 61.98 63.92 1y3j s VAL 70 Cb -0.16 -4.17 0.20 0.00 0.00 0.00 0.00 36.38 32.25 1y3j s VAL 70 CO 0.11 -0.06 0.49 -0.38 0.00 0.00 0.00 175.10 175.25 1y3j n ILE 71 N 5.09 -0.79 -0.93 2.22 5.41 0.34 -5.00 119.36 125.70 1y3j n ILE 71 Ca 0.07 -2.95 -0.43 0.00 1.00 0.00 0.00 62.75 60.44 1y3j n ILE 71 Cb 0.48 -0.98 -0.07 0.00 -0.71 0.00 0.00 39.64 38.35 1y3j n ILE 71 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 176.55 174.71 1y3j n GLU 72 N 2.46 1.05 -3.47 0.38 0.00 -1.24 -3.89 120.64 115.94 1y3j n GLU 72 Ca 0.24 -1.56 -0.31 0.00 0.00 0.00 0.00 57.16 55.53 1y3j n GLU 72 Cb 0.52 -2.77 0.02 0.00 0.00 0.00 0.00 31.44 29.21 1y3j n GLU 72 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.13 175.42 1y3j n ASN 73 N 7.81 -4.73 -0.32 -1.84 5.15 -1.26 -4.90 115.26 115.16 1y3j n ASN 73 Ca 0.48 -0.47 -0.02 0.00 -0.60 0.00 0.00 54.58 53.97 1y3j n ASN 73 Cb 0.40 -1.45 0.10 0.00 -0.53 0.00 0.00 39.78 38.29 1y3j n ASN 73 CO 0.00 0.00 0.00 0.40 1.40 0.00 0.00 177.26 179.06 1y3j h ILE 74 N 1.04 1.18 -3.94 -1.44 1.08 -2.00 -3.44 117.51 109.99 1y3j h ILE 74 Ca -0.56 -0.39 -0.12 0.00 -0.39 0.00 0.00 64.86 63.40 1y3j h ILE 74 Cb 1.29 -0.07 -0.16 0.00 -3.07 0.00 0.00 36.82 34.82 1y3j h ILE 74 CO 0.26 0.21 -0.54 -0.70 -0.69 0.00 0.00 178.15 176.69 1y3j s GLU 75 N -6.11 0.65 -0.41 2.37 2.56 -1.26 -5.11 118.70 111.39 1y3j s GLU 75 Ca -0.13 -0.94 0.02 0.00 0.00 0.00 0.00 54.97 53.92 1y3j s GLU 75 Cb 0.17 0.25 0.27 0.00 2.00 0.00 0.00 34.13 36.81 1y3j s GLU 75 CO 0.80 -0.16 1.09 0.41 -0.56 0.00 0.00 175.26 176.83 1y3j n GLY 76 N 0.39 -0.79 0.00 -1.50 0.00 -1.26 -5.20 105.19 96.83 1y3j n GLY 76 Ca -0.17 0.55 0.00 0.00 0.00 0.00 0.00 46.02 46.40 1y3j n GLY 76 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86