#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1y3k s SER 2 N 0.00 0.08 -0.19 6.41 1.04 -1.26 -4.88 113.70 114.89 1y3k s SER 2 Ca 0.00 -0.25 -0.10 0.00 0.48 0.00 0.00 55.95 56.08 1y3k s SER 2 Cb 0.00 0.17 0.07 0.00 0.10 0.00 0.00 66.02 66.36 1y3k s SER 2 CO 0.00 -0.31 0.46 -0.55 0.98 0.00 0.00 173.24 173.82 1y3k s SER 3 N -1.25 -0.57 -0.22 7.02 0.15 -0.69 -4.51 113.70 113.63 1y3k s SER 3 Ca -0.13 1.02 -0.24 0.00 0.70 0.00 0.00 55.95 57.30 1y3k s SER 3 Cb -0.08 0.97 -0.01 0.00 -1.71 0.00 0.00 66.02 65.19 1y3k s SER 3 CO 0.01 -0.21 0.79 -0.54 1.20 0.00 0.00 173.24 174.49 1y3k s LYS 4 N 1.60 4.21 -0.11 5.44 1.02 0.01 -0.46 119.74 131.45 1y3k s LYS 4 Ca -0.09 0.89 -0.18 0.00 0.02 0.00 0.00 55.97 56.61 1y3k s LYS 4 Cb -0.08 -3.62 -0.04 0.00 -0.52 0.00 0.00 37.83 33.56 1y3k s LYS 4 CO -0.14 -0.43 0.47 0.00 -0.92 0.00 0.00 175.35 174.33 1y3k s TYR 6 N 0.45 3.44 0.05 0.00 6.14 -0.57 -2.78 117.35 124.08 1y3k s TYR 6 Ca 0.25 -1.93 -0.00 0.00 0.64 0.00 0.00 57.07 56.03 1y3k s TYR 6 Cb -0.15 -3.50 -0.04 0.00 0.42 0.00 0.00 41.96 38.68 1y3k s TYR 6 CO 0.10 -0.99 0.19 0.42 0.64 0.00 0.00 175.55 175.92 1y3k s ILE 7 N 1.20 5.33 0.21 3.14 1.01 0.68 -0.31 121.20 132.47 1y3k s ILE 7 Ca 0.07 -0.37 0.10 0.00 0.00 0.00 0.00 60.65 60.46 1y3k s ILE 7 Cb -0.25 -3.57 -0.05 0.00 0.01 0.00 0.00 42.46 38.60 1y3k s ILE 7 CO -0.01 0.18 -0.19 -1.10 0.00 0.00 0.00 174.94 173.82 1y3k s GLN 8 N -2.37 1.47 0.04 2.79 -0.21 0.21 -0.51 119.66 121.08 1y3k s GLN 8 Ca 0.33 -1.58 0.02 0.00 0.02 0.00 0.00 55.36 54.14 1y3k s GLN 8 Cb -0.13 -1.54 -0.02 0.00 1.00 0.00 0.00 33.01 32.32 1y3k s GLN 8 CO 0.25 0.30 -0.07 0.08 -2.12 0.00 0.00 175.29 173.74 1y3k s VAL 9 N -2.28 0.44 -0.79 1.09 1.01 -1.26 -0.92 120.40 117.69 1y3k s VAL 9 Ca 0.23 -1.05 0.02 0.00 0.00 0.00 0.00 61.98 61.18 1y3k s VAL 9 Cb -0.05 -0.54 0.21 0.00 0.00 0.00 0.00 36.38 36.00 1y3k s VAL 9 CO 0.10 -0.41 0.68 0.35 0.00 0.00 0.00 175.10 175.82 1y3k n THR 10 N 1.48 2.44 0.00 3.92 -2.24 -1.25 -4.54 114.28 114.09 1y3k n THR 10 Ca -0.23 -5.06 0.00 0.00 -2.27 0.00 0.00 64.05 56.49 1y3k n THR 10 Cb 0.55 -2.25 0.00 0.00 -2.10 0.00 0.00 70.33 66.53 1y3k n THR 10 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1y3k n GLY 11 N 1.92 1.15 0.25 3.38 0.00 -1.26 -4.90 105.19 105.72 1y3k n GLY 11 Ca 0.22 0.00 0.03 0.00 0.00 0.00 0.00 46.02 46.27 1y3k n GLY 11 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1y3k h MET 12 N 0.00 0.24 -3.19 1.61 3.00 -1.95 -3.33 114.93 111.31 1y3k h MET 12 Ca 0.00 -0.05 -0.55 0.00 0.00 0.00 0.00 59.70 59.10 1y3k h MET 12 Cb 0.00 -0.04 0.02 0.00 0.00 0.00 0.00 31.60 31.59 1y3k h MET 12 CO 0.00 0.35 3.34 -2.37 0.00 0.00 0.00 176.91 178.23 1y3k n THR 13 N -4.30 3.53 0.00 -0.10 5.66 -1.26 -4.48 114.28 113.33 1y3k n THR 13 Ca -0.01 -2.11 0.00 0.00 -3.05 0.00 0.00 64.05 58.88 1y3k n THR 13 Cb 0.24 -2.42 0.00 0.00 -1.55 0.00 0.00 70.33 66.61 1y3k n THR 13 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1y3k s ALA 15 N -3.76 -2.57 -1.16 0.00 0.00 -1.26 -4.96 121.76 108.04 1y3k s ALA 15 Ca 0.00 0.49 -0.12 0.00 0.00 0.00 0.00 51.96 52.33 1y3k s ALA 15 Cb 0.00 -2.72 0.12 0.00 0.00 0.00 0.00 23.12 20.52 1y3k s ALA 15 CO 0.00 -2.16 0.40 -1.13 0.00 0.00 0.00 175.76 172.87 1y3k n SER 16 N 4.58 -2.23 -0.01 0.00 3.41 -1.26 -4.83 113.62 113.28 1y3k n SER 16 Ca 0.09 -0.48 -0.16 0.00 -0.26 0.00 0.00 58.87 58.07 1y3k n SER 16 Cb 0.57 -1.93 -0.11 0.00 -0.26 0.00 0.00 64.21 62.48 1y3k n SER 16 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1y3k h VAL 18 N -0.35 0.63 -0.91 0.00 -1.51 -1.88 -1.46 116.25 110.77 1y3k h VAL 18 Ca -0.05 -0.09 0.23 0.00 -1.23 0.00 0.00 66.70 65.56 1y3k h VAL 18 Cb 1.14 0.34 -0.16 0.00 -2.13 0.00 0.00 31.29 30.47 1y3k h VAL 18 CO 0.08 0.05 0.04 0.00 -1.23 0.00 0.00 177.57 176.50 1y3k h ALA 19 N 1.50 1.05 0.31 5.19 0.00 -1.93 0.36 119.26 125.73 1y3k h ALA 19 Ca 0.33 0.30 -0.02 0.00 0.00 0.00 0.00 54.91 55.52 1y3k h ALA 19 Cb 0.50 0.52 0.00 0.00 0.00 0.00 0.00 17.79 18.80 1y3k h ALA 19 CO -0.41 -0.51 -0.15 -0.97 0.00 0.00 0.00 179.25 177.21 1y3k h ASN 20 N 0.06 -0.35 0.16 0.00 -1.24 -1.35 0.10 115.58 112.96 1y3k h ASN 20 Ca 0.53 -0.05 0.02 0.00 0.71 0.00 0.00 56.30 57.51 1y3k h ASN 20 Cb 1.04 0.09 -0.04 0.00 0.73 0.00 0.00 38.32 40.15 1y3k h ASN 20 CO -0.82 -0.17 -0.35 0.40 -1.29 0.00 0.00 177.43 175.20 1y3k h ILE 21 N -0.51 0.26 -0.56 2.57 5.03 -0.81 -2.16 117.51 121.32 1y3k h ILE 21 Ca -0.04 0.00 0.10 0.00 -0.12 0.00 0.00 64.86 64.80 1y3k h ILE 21 Cb 0.38 0.26 -0.11 0.00 -3.03 0.00 0.00 36.82 34.33 1y3k h ILE 21 CO 0.07 0.00 -0.34 -0.33 -0.68 0.00 0.00 178.15 176.87 1y3k h GLU 22 N -0.61 -0.17 0.00 2.37 5.08 -0.37 0.24 114.58 121.12 1y3k h GLU 22 Ca 0.02 0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.39 1y3k h GLU 22 Cb 0.62 0.04 0.00 0.00 0.50 0.00 0.00 28.75 29.91 1y3k h GLU 22 CO -0.18 -0.11 0.00 -2.13 -1.00 0.00 0.00 179.01 175.58 1y3k n ARG 23 N -5.43 0.05 -0.11 2.33 0.63 0.02 -0.34 116.66 113.81 1y3k n ARG 23 Ca 0.04 0.51 -0.23 0.00 -0.92 0.00 0.00 57.85 57.24 1y3k n ARG 23 Cb 0.35 -1.66 -0.11 0.00 0.45 0.00 0.00 32.46 31.50 1y3k n ARG 23 CO 0.00 0.00 0.00 -1.71 -2.51 0.00 0.00 177.63 173.41 1y3k n ASN 24 N -1.77 1.88 0.04 6.15 5.15 0.56 -4.45 115.26 122.83 1y3k n ASN 24 Ca 0.00 0.41 0.08 0.00 -0.60 0.00 0.00 54.58 54.47 1y3k n ASN 24 Cb 0.05 -0.93 0.35 0.00 -0.53 0.00 0.00 39.78 38.72 1y3k n ASN 24 CO 0.00 0.00 0.00 0.18 1.40 0.00 0.00 177.26 178.84 1y3k n LEU 25 N -4.40 0.19 -0.34 1.20 4.32 0.39 -3.57 117.00 114.80 1y3k n LEU 25 Ca -0.37 0.55 0.27 0.00 -0.02 0.00 0.00 56.01 56.44 1y3k n LEU 25 Cb 0.72 -0.53 0.44 0.00 -1.62 0.00 0.00 43.42 42.43 1y3k n LEU 25 CO 0.15 -0.36 0.79 -2.11 -1.22 0.00 0.00 177.39 174.63 1y3k n ARG 26 N -1.72 -0.01 0.00 3.23 1.85 0.54 -4.15 116.66 116.40 1y3k n ARG 26 Ca 0.03 0.70 0.00 0.00 -1.00 0.00 0.00 57.85 57.58 1y3k n ARG 26 Cb 0.17 -1.47 0.00 0.00 -1.05 0.00 0.00 32.46 30.12 1y3k n ARG 26 CO 0.00 0.00 0.00 2.89 -0.01 0.00 0.00 177.63 180.51 1y3k n ARG 27 N -3.55 0.00 0.00 2.89 1.85 -1.26 -4.60 116.66 111.99 1y3k n ARG 27 Ca 0.25 0.00 0.00 0.00 -1.00 0.00 0.00 57.85 57.10 1y3k n ARG 27 Cb 1.04 0.00 0.00 0.00 -1.05 0.00 0.00 32.46 32.45 1y3k n ARG 27 CO 0.00 0.00 0.00 -1.91 -0.01 0.00 0.00 177.63 175.71 1y3k n GLU 28 N -1.06 0.00 -2.57 2.89 2.13 -1.23 -0.27 120.64 120.53 1y3k n GLU 28 Ca 0.00 0.00 -0.30 0.00 0.66 0.00 0.00 57.16 57.52 1y3k n GLU 28 Cb 0.00 0.00 -0.01 0.00 0.27 0.00 0.00 31.44 31.70 1y3k n GLU 28 CO 0.00 0.00 0.00 0.39 -0.41 0.00 0.00 177.13 177.11 1y3k n GLU 29 N 14.00 3.44 0.00 5.31 1.02 -1.26 -4.75 120.64 138.40 1y3k n GLU 29 Ca 0.00 -4.52 0.00 0.00 -0.02 0.00 0.00 57.16 52.62 1y3k n GLU 29 Cb 0.00 -2.27 0.00 0.00 -0.02 0.00 0.00 31.44 29.15 1y3k n GLU 29 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1y3k n GLY 30 N -0.38 0.31 3.88 0.62 0.00 -0.91 -4.39 105.19 104.32 1y3k n GLY 30 Ca 0.39 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 46.11 1y3k n GLY 30 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1y3k s ILE 31 N 0.00 4.77 0.00 -0.61 1.01 0.63 -3.64 121.20 123.37 1y3k s ILE 31 Ca 0.00 0.63 0.00 0.00 0.00 0.00 0.00 60.65 61.28 1y3k s ILE 31 Cb 0.00 -3.81 0.00 0.00 0.01 0.00 0.00 42.46 38.66 1y3k s ILE 31 CO 0.00 -0.82 0.00 -1.22 0.00 0.00 0.00 174.94 172.90 1y3k n TYR 32 N -2.04 0.00 -3.60 3.97 4.02 0.54 -4.30 117.16 115.74 1y3k n TYR 32 Ca 0.03 0.00 -0.16 0.00 -0.01 0.00 0.00 57.90 57.76 1y3k n TYR 32 Cb 0.54 0.00 -0.07 0.00 -0.02 0.00 0.00 39.34 39.80 1y3k n TYR 32 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 176.86 176.30 1y3k s SER 33 N -1.10 -0.49 0.54 7.72 0.15 -1.18 -4.90 113.70 114.44 1y3k s SER 33 Ca 0.00 0.46 -0.06 0.00 0.70 0.00 0.00 55.95 57.05 1y3k s SER 33 Cb 0.00 0.46 -0.02 0.00 -1.71 0.00 0.00 66.02 64.76 1y3k s SER 33 CO 0.00 -0.57 0.85 0.27 1.20 0.00 0.00 173.24 174.99 1y3k s ILE 34 N -1.39 4.34 -0.20 6.45 -0.00 -1.26 -0.98 121.20 128.16 1y3k s ILE 34 Ca -0.11 0.15 -0.23 0.00 -0.00 0.00 0.00 60.65 60.47 1y3k s ILE 34 Cb -0.02 -3.68 -0.02 0.00 -0.00 0.00 0.00 42.46 38.74 1y3k s ILE 34 CO 0.07 -0.70 0.72 -1.48 -0.00 0.00 0.00 174.94 173.55 1y3k s LEU 35 N -4.88 4.14 -0.40 0.37 0.05 -1.26 -4.01 118.68 112.69 1y3k s LEU 35 Ca 0.51 0.96 0.07 0.00 0.05 0.00 0.00 54.13 55.72 1y3k s LEU 35 Cb -0.10 -3.04 0.17 0.00 -2.05 0.00 0.00 46.19 41.18 1y3k s LEU 35 CO 0.46 -0.35 0.57 0.54 -0.55 0.00 0.00 176.35 177.02 1y3k s VAL 36 N 2.14 -0.85 -0.30 1.48 0.11 -1.26 -4.66 120.40 117.07 1y3k s VAL 36 Ca 0.32 -0.23 0.20 0.00 -2.93 0.00 0.00 61.98 59.35 1y3k s VAL 36 Cb -0.16 -0.17 0.48 0.00 -1.53 0.00 0.00 36.38 35.00 1y3k s VAL 36 CO 0.10 -0.13 1.05 0.00 -3.33 0.00 0.00 175.10 172.79 1y3k n ALA 37 N 4.40 2.97 0.06 1.54 0.00 0.09 -4.74 120.51 124.82 1y3k n ALA 37 Ca 0.11 -2.86 0.17 0.00 0.00 0.00 0.00 53.44 50.86 1y3k n ALA 37 Cb 0.54 -0.91 0.67 0.00 0.00 0.00 0.00 19.45 19.75 1y3k n ALA 37 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 1y3k h LEU 38 N 2.75 0.02 -1.82 0.00 6.46 -1.92 0.32 115.31 121.12 1y3k h LEU 38 Ca -0.13 0.00 0.36 0.00 -0.12 0.00 0.00 57.88 57.99 1y3k h LEU 38 Cb 1.23 -0.00 -0.05 0.00 -0.73 0.00 0.00 40.66 41.10 1y3k h LEU 38 CO 0.32 0.01 1.01 0.00 -0.62 0.00 0.00 178.44 179.17 1y3k h MET 39 N 0.02 0.00 0.00 1.25 -0.00 -1.91 -3.20 114.93 111.10 1y3k h MET 39 Ca 0.19 0.00 0.00 0.00 -0.00 0.00 0.00 59.70 59.89 1y3k h MET 39 Cb 0.72 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 32.32 1y3k h MET 39 CO -0.01 0.00 -0.70 0.00 -0.00 0.00 0.00 176.91 176.20 1y3k n ALA 40 N -2.65 2.82 0.00 -3.00 0.00 -0.78 -5.07 120.51 111.82 1y3k n ALA 40 Ca 0.27 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.71 1y3k n ALA 40 Cb 1.41 0.35 0.00 0.00 0.00 0.00 0.00 19.45 21.21 1y3k n ALA 40 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1y3k n GLY 41 N 2.61 0.03 3.36 0.00 0.00 0.93 -5.08 105.19 107.04 1y3k n GLY 41 Ca 0.00 -0.01 -0.22 0.00 0.00 0.00 0.00 46.02 45.79 1y3k n GLY 41 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1y3k s LYS 42 N 0.00 1.84 -0.21 1.61 3.01 -0.12 -3.99 119.74 121.88 1y3k s LYS 42 Ca 0.00 -2.09 -0.04 0.00 -1.01 0.00 0.00 55.97 52.83 1y3k s LYS 42 Cb 0.00 0.03 0.11 0.00 -1.01 0.00 0.00 37.83 36.96 1y3k s LYS 42 CO 0.00 -0.61 0.35 0.00 0.51 0.00 0.00 175.35 175.59 1y3k s ALA 43 N -3.35 -0.90 -0.74 5.17 0.00 0.34 -0.74 121.76 121.54 1y3k s ALA 43 Ca 0.35 0.97 0.03 0.00 0.00 0.00 0.00 51.96 53.31 1y3k s ALA 43 Cb 0.02 -1.43 0.29 0.00 0.00 0.00 0.00 23.12 22.00 1y3k s ALA 43 CO 0.24 -1.03 1.02 0.39 0.00 0.00 0.00 175.76 176.38 1y3k n GLU 44 N 5.36 3.29 -2.85 0.00 1.02 -1.26 -0.23 120.64 125.97 1y3k n GLU 44 Ca -0.05 -4.70 -0.40 0.00 -0.02 0.00 0.00 57.16 51.99 1y3k n GLU 44 Cb 0.50 -2.32 -0.06 0.00 -0.02 0.00 0.00 31.44 29.54 1y3k n GLU 44 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 1y3k s VAL 45 N -3.12 4.21 -0.21 2.62 0.11 -1.12 -4.14 120.40 118.76 1y3k s VAL 45 Ca 0.40 1.91 -0.11 0.00 -2.93 0.00 0.00 61.98 61.25 1y3k s VAL 45 Cb 0.16 -4.24 -0.05 0.00 -1.53 0.00 0.00 36.38 30.72 1y3k s VAL 45 CO -0.02 0.51 0.19 -0.60 -3.33 0.00 0.00 175.10 171.84 1y3k s ARG 46 N -1.13 4.16 0.11 1.54 3.52 -0.15 -0.27 118.95 126.72 1y3k s ARG 46 Ca 0.39 -0.16 0.01 0.00 -0.13 0.00 0.00 55.73 55.84 1y3k s ARG 46 Cb -0.25 -3.47 -0.00 0.00 -1.56 0.00 0.00 34.95 29.67 1y3k s ARG 46 CO 0.29 0.18 0.04 2.48 -0.81 0.00 0.00 175.30 177.49 1y3k n TYR 47 N 3.88 0.01 -3.71 5.12 4.11 0.39 -0.34 117.16 126.62 1y3k n TYR 47 Ca -0.14 -0.71 -0.15 0.00 -0.00 0.00 0.00 57.90 56.89 1y3k n TYR 47 Cb 0.52 0.01 -0.15 0.00 -0.00 0.00 0.00 39.34 39.71 1y3k n TYR 47 CO 0.00 0.00 0.00 0.54 -0.00 0.00 0.00 176.86 177.40 1y3k s ASN 48 N -1.67 0.37 -1.34 9.48 2.20 -1.24 -1.70 114.94 121.04 1y3k s ASN 48 Ca 0.06 0.30 -0.16 0.00 -0.94 0.00 0.00 52.86 52.12 1y3k s ASN 48 Cb 0.00 0.21 0.02 0.00 -2.00 0.00 0.00 41.25 39.48 1y3k s ASN 48 CO 0.04 -0.20 2.10 -0.81 -2.94 0.00 0.00 177.10 175.29 1y3k n PRO 49 N 4.80 2.72 0.00 3.55 -0.04 -1.26 -3.74 135.00 141.03 1y3k n PRO 49 Ca -0.15 -2.63 0.00 0.00 -0.04 0.00 0.00 63.50 60.68 1y3k n PRO 49 Cb 0.51 -3.30 0.00 0.00 -0.04 0.00 0.00 33.50 30.67 1y3k n PRO 49 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1y3k n ALA 50 N 6.91 2.88 -0.08 0.55 0.00 -1.26 -4.94 120.51 124.57 1y3k n ALA 50 Ca 0.51 0.00 -0.21 0.00 0.00 0.00 0.00 53.44 53.74 1y3k n ALA 50 Cb 0.41 0.00 -0.12 0.00 0.00 0.00 0.00 19.45 19.73 1y3k n ALA 50 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1y3k h VAL 51 N 0.00 0.95 0.10 0.00 2.07 -1.93 -3.41 116.25 114.03 1y3k h VAL 51 Ca 0.00 -2.23 -0.15 0.00 0.82 0.00 0.00 66.70 65.14 1y3k h VAL 51 Cb 0.00 2.39 0.02 0.00 -1.52 0.00 0.00 31.29 32.17 1y3k h VAL 51 CO 0.00 0.45 -0.66 -0.29 0.02 0.00 0.00 177.57 177.09 1y3k h ILE 52 N -0.79 1.55 0.00 4.57 -0.00 -1.77 -3.51 117.51 117.56 1y3k h ILE 52 Ca -0.33 -2.44 0.00 0.00 -0.00 0.00 0.00 64.86 62.09 1y3k h ILE 52 Cb 1.42 3.16 0.00 0.00 -0.00 0.00 0.00 36.82 41.40 1y3k h ILE 52 CO -0.13 0.69 0.00 0.00 -0.00 0.00 0.00 178.15 178.70 1y3k n GLN 53 N -4.22 0.00 -0.19 2.19 6.02 -1.24 -4.43 117.38 115.51 1y3k n GLN 53 Ca -0.13 0.00 0.02 0.00 -0.01 0.00 0.00 57.00 56.88 1y3k n GLN 53 Cb 0.75 0.00 0.28 0.00 1.02 0.00 0.00 30.24 32.29 1y3k n GLN 53 CO 0.00 0.00 0.00 -1.00 -1.01 0.00 0.00 177.06 175.05 1y3k h PRO 54 N 0.00 0.91 0.00 -1.09 0.13 -1.96 -0.28 132.00 129.71 1y3k h PRO 54 Ca 0.00 -0.05 -0.05 0.00 -0.87 0.00 0.00 66.00 65.02 1y3k h PRO 54 Cb 0.00 -0.21 -0.01 0.00 0.13 0.00 0.00 31.00 30.92 1y3k h PRO 54 CO 0.00 0.60 -0.25 -1.00 -0.23 0.00 0.00 178.00 177.12 1y3k h PRO 55 N 0.94 0.00 -0.07 1.56 0.13 -2.01 -3.27 132.00 129.29 1y3k h PRO 55 Ca 0.27 0.00 -0.04 0.00 -0.87 0.00 0.00 66.00 65.36 1y3k h PRO 55 Cb -0.07 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.06 1y3k h PRO 55 CO -0.06 0.25 -0.10 1.98 -0.23 0.00 0.00 178.00 179.83 1y3k h MET 56 N 0.00 0.19 -0.36 0.86 4.05 -1.26 -0.80 114.93 117.60 1y3k h MET 56 Ca -0.00 -0.11 0.08 0.00 -0.28 0.00 0.00 59.70 59.38 1y3k h MET 56 Cb 0.48 0.01 -0.08 0.00 -0.80 0.00 0.00 31.60 31.22 1y3k h MET 56 CO 0.03 0.67 -0.17 -0.84 0.23 0.00 0.00 176.91 176.84 1y3k h ILE 57 N -0.28 0.49 -0.03 1.77 3.07 -1.57 0.20 117.51 121.14 1y3k h ILE 57 Ca 0.01 0.00 0.02 0.00 1.55 0.00 0.00 64.86 66.43 1y3k h ILE 57 Cb 0.66 0.49 -0.04 0.00 -0.27 0.00 0.00 36.82 37.65 1y3k h ILE 57 CO 0.02 0.00 -0.36 0.00 -1.05 0.00 0.00 178.15 176.77 1y3k h ALA 58 N 1.17 -0.78 -0.49 0.16 0.00 -1.57 -1.93 119.26 115.82 1y3k h ALA 58 Ca 0.18 -0.05 0.10 0.00 0.00 0.00 0.00 54.91 55.14 1y3k h ALA 58 Cb 0.38 0.83 -0.10 0.00 0.00 0.00 0.00 17.79 18.89 1y3k h ALA 58 CO -0.43 -0.89 -0.24 0.93 0.00 0.00 0.00 179.25 178.62 1y3k h GLU 59 N -0.43 -0.12 -0.90 0.00 4.39 -0.62 0.17 114.58 117.07 1y3k h GLU 59 Ca 0.01 0.01 0.18 0.00 0.34 0.00 0.00 59.36 59.90 1y3k h GLU 59 Cb 0.47 0.03 -0.17 0.00 -0.10 0.00 0.00 28.75 28.98 1y3k h GLU 59 CO -0.26 -0.08 -0.24 0.35 -1.16 0.00 0.00 179.01 177.62 1y3k h PHE 60 N -0.12 -0.53 -0.07 4.33 3.04 -0.39 0.32 116.94 123.52 1y3k h PHE 60 Ca 0.23 0.08 -0.07 0.00 3.98 0.00 0.00 57.97 62.20 1y3k h PHE 60 Cb 0.48 0.38 -0.01 0.00 2.56 0.00 0.00 35.95 39.36 1y3k h PHE 60 CO -0.51 -0.39 -0.26 0.82 -2.02 0.00 0.00 178.31 175.95 1y3k h ILE 61 N -0.00 1.22 0.00 1.41 2.04 -0.17 -0.69 117.51 121.31 1y3k h ILE 61 Ca 0.42 -1.02 0.00 0.00 1.00 0.00 0.00 64.86 65.26 1y3k h ILE 61 Cb 0.65 1.45 0.00 0.00 -0.74 0.00 0.00 36.82 38.19 1y3k h ILE 61 CO -0.93 0.30 0.00 0.54 0.00 0.00 0.00 178.15 178.06 1y3k n ARG 62 N -4.19 0.08 0.04 2.37 5.12 0.11 -3.31 116.66 116.87 1y3k n ARG 62 Ca -0.02 0.30 0.15 0.00 -1.93 0.00 0.00 57.85 56.36 1y3k n ARG 62 Cb 0.34 -1.64 0.62 0.00 -1.16 0.00 0.00 32.46 30.62 1y3k n ARG 62 CO 0.00 0.00 0.00 1.05 -1.93 0.00 0.00 177.63 176.75 1y3k h GLU 63 N 0.00 0.12 -0.00 5.56 4.11 -0.74 0.13 114.58 123.76 1y3k h GLU 63 Ca 0.00 -0.01 0.00 0.00 0.07 0.00 0.00 59.36 59.42 1y3k h GLU 63 Cb 0.31 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.53 1y3k h GLU 63 CO 0.00 0.08 -0.09 1.28 0.07 0.00 0.00 179.01 180.35 1y3k n LEU 64 N -4.44 0.45 0.00 3.06 4.77 -1.21 -4.92 117.00 114.71 1y3k n LEU 64 Ca 0.07 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.05 1y3k n LEU 64 Cb 0.41 -0.17 0.00 0.00 -2.33 0.00 0.00 43.42 41.34 1y3k n LEU 64 CO 0.35 0.08 0.00 0.61 -1.33 0.00 0.00 177.39 177.11 1y3k n GLY 65 N 1.25 0.54 3.91 -0.72 0.00 0.44 -5.07 105.19 105.54 1y3k n GLY 65 Ca 0.15 -0.52 -0.28 0.00 0.00 0.00 0.00 46.02 45.38 1y3k n GLY 65 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1y3k s PHE 66 N -2.00 2.94 -0.89 1.61 0.08 -1.26 -5.04 117.98 113.42 1y3k s PHE 66 Ca 0.00 0.63 -0.05 0.00 0.12 0.00 0.00 56.93 57.63 1y3k s PHE 66 Cb 0.00 -3.38 0.22 0.00 -0.57 0.00 0.00 43.02 39.29 1y3k s PHE 66 CO 0.00 -1.63 0.80 0.20 -0.10 0.00 0.00 175.22 174.49 1y3k s GLY 67 N -4.55 2.97 0.30 4.36 0.00 -1.26 -4.55 107.32 104.59 1y3k s GLY 67 Ca 0.61 -3.69 -0.20 0.00 0.00 0.00 0.00 44.72 41.45 1y3k s GLY 67 CO 0.47 1.22 0.80 0.00 0.00 0.00 0.00 173.10 175.59 1y3k s ALA 68 N -0.94 3.30 -0.27 3.20 0.00 -1.26 -3.76 121.76 122.03 1y3k s ALA 68 Ca 0.25 0.23 -0.03 0.00 0.00 0.00 0.00 51.96 52.41 1y3k s ALA 68 Cb -0.10 -2.92 0.09 0.00 0.00 0.00 0.00 23.12 20.19 1y3k s ALA 68 CO -0.09 0.27 0.11 0.95 0.00 0.00 0.00 175.76 176.99 1y3k s THR 69 N -1.76 0.20 -0.24 0.00 -4.23 -0.09 -4.99 115.64 104.52 1y3k s THR 69 Ca 0.50 -0.79 -0.18 0.00 -1.18 0.00 0.00 61.69 60.04 1y3k s THR 69 Cb -0.14 -1.08 -0.03 0.00 1.34 0.00 0.00 72.50 72.59 1y3k s THR 69 CO 0.19 -0.60 0.52 0.54 -0.54 0.00 0.00 174.62 174.74 1y3k s VAL 70 N 1.97 5.08 0.26 2.29 0.11 -1.26 -0.62 120.40 128.24 1y3k s VAL 70 Ca 0.07 0.93 0.02 0.00 -2.93 0.00 0.00 61.98 60.06 1y3k s VAL 70 Cb -0.16 -3.84 -0.04 0.00 -1.53 0.00 0.00 36.38 30.80 1y3k s VAL 70 CO -0.27 0.12 0.14 0.27 -3.33 0.00 0.00 175.10 172.03 1y3k s ILE 71 N 2.08 0.27 0.00 7.04 -4.36 0.57 -4.97 121.20 121.82 1y3k s ILE 71 Ca 0.23 -2.00 0.00 0.00 -0.26 0.00 0.00 60.65 58.62 1y3k s ILE 71 Cb -0.16 -2.54 0.00 0.00 1.25 0.00 0.00 42.46 41.02 1y3k s ILE 71 CO 0.09 0.00 0.00 -0.62 0.24 0.00 0.00 174.94 174.65 1y3k n GLU 72 N -0.47 0.00 -1.87 0.37 -0.58 -1.26 -1.51 120.64 115.32 1y3k n GLU 72 Ca 0.02 0.00 -0.19 0.00 -0.42 0.00 0.00 57.16 56.57 1y3k n GLU 72 Cb 0.65 0.00 -0.05 0.00 -0.57 0.00 0.00 31.44 31.47 1y3k n GLU 72 CO 0.00 0.00 0.00 0.09 -0.48 0.00 0.00 177.13 176.74 1y3k n ASN 73 N 1.50 -5.16 -4.74 1.62 3.02 -1.23 -4.88 115.26 105.39 1y3k n ASN 73 Ca 0.00 0.31 -0.42 0.00 -0.03 0.00 0.00 54.58 54.44 1y3k n ASN 73 Cb 0.00 -4.49 -0.02 0.00 -0.61 0.00 0.00 39.78 34.65 1y3k n ASN 73 CO 0.00 0.00 0.00 0.27 -2.62 0.00 0.00 177.26 174.91 1y3k s ILE 74 N -2.73 2.64 -2.29 2.41 -4.36 -0.57 -4.71 121.20 111.59 1y3k s ILE 74 Ca 0.00 0.51 0.21 0.00 -0.26 0.00 0.00 60.65 61.11 1y3k s ILE 74 Cb 0.00 -3.32 0.46 0.00 1.25 0.00 0.00 42.46 40.84 1y3k s ILE 74 CO 0.00 0.07 1.54 -0.62 0.24 0.00 0.00 174.94 176.17 1y3k n GLU 75 N 2.88 1.75 0.00 0.37 1.02 -1.26 -0.81 120.64 124.59 1y3k n GLU 75 Ca 0.09 -1.13 0.00 0.00 -0.02 0.00 0.00 57.16 56.10 1y3k n GLU 75 Cb 0.40 -1.40 0.00 0.00 -0.02 0.00 0.00 31.44 30.42 1y3k n GLU 75 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1y3k n GLY 76 N 1.14 4.06 0.00 0.62 0.00 -1.26 -4.69 105.19 105.06 1y3k n GLY 76 Ca 0.16 -0.57 0.00 0.00 0.00 0.00 0.00 46.02 45.62 1y3k n GLY 76 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19