#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1y3k n SER 2 N 0.00 -1.91 -5.00 1.20 7.64 -1.26 -4.98 113.62 109.31 1y3k n SER 2 Ca 0.00 0.00 -0.19 0.00 1.01 0.00 0.00 58.87 59.69 1y3k n SER 2 Cb 0.00 -0.95 0.05 0.00 -1.01 0.00 0.00 64.21 62.29 1y3k n SER 2 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 1y3k s SER 3 N -0.71 5.24 -0.26 6.43 1.04 -1.24 -4.58 113.70 119.62 1y3k s SER 3 Ca 0.00 -0.64 -0.10 0.00 0.48 0.00 0.00 55.95 55.69 1y3k s SER 3 Cb 0.00 -0.08 -0.04 0.00 0.10 0.00 0.00 66.02 65.99 1y3k s SER 3 CO 0.00 -1.18 0.14 -0.75 0.98 0.00 0.00 173.24 172.43 1y3k s LYS 4 N -4.60 3.90 -0.21 4.02 2.20 -1.26 -1.84 119.74 121.95 1y3k s LYS 4 Ca 0.60 -0.35 -0.16 0.00 -0.36 0.00 0.00 55.97 55.69 1y3k s LYS 4 Cb -0.07 -3.52 -0.04 0.00 -1.51 0.00 0.00 37.83 32.69 1y3k s LYS 4 CO 0.37 -0.10 0.40 0.00 -0.36 0.00 0.00 175.35 175.66 1y3k s TYR 6 N 1.46 3.23 0.17 0.00 6.14 -1.05 -1.90 117.35 125.40 1y3k s TYR 6 Ca 0.19 0.15 0.11 0.00 0.64 0.00 0.00 57.07 58.16 1y3k s TYR 6 Cb -0.15 -2.44 -0.04 0.00 0.42 0.00 0.00 41.96 39.75 1y3k s TYR 6 CO 0.08 -0.20 -0.22 0.42 0.64 0.00 0.00 175.55 176.27 1y3k s ILE 7 N 1.84 2.52 0.14 3.14 1.01 0.67 -0.50 121.20 130.02 1y3k s ILE 7 Ca 0.09 -1.85 0.07 0.00 0.00 0.00 0.00 60.65 58.96 1y3k s ILE 7 Cb -0.16 -2.19 -0.04 0.00 0.01 0.00 0.00 42.46 40.08 1y3k s ILE 7 CO 0.11 -0.04 -0.16 -1.58 0.00 0.00 0.00 174.94 173.26 1y3k s GLN 8 N -2.50 1.13 -0.00 2.79 0.74 0.27 -1.28 119.66 120.81 1y3k s GLN 8 Ca 0.20 -1.30 0.01 0.00 0.05 0.00 0.00 55.36 54.31 1y3k s GLN 8 Cb -0.09 -1.09 0.00 0.00 1.10 0.00 0.00 33.01 32.93 1y3k s GLN 8 CO 0.10 0.22 -0.02 0.08 -0.55 0.00 0.00 175.29 175.11 1y3k s VAL 9 N -2.06 0.20 -1.18 1.34 1.01 -1.26 -1.24 120.40 117.21 1y3k s VAL 9 Ca 0.11 -0.09 -0.06 0.00 0.00 0.00 0.00 61.98 61.95 1y3k s VAL 9 Cb -0.05 -0.19 0.23 0.00 0.00 0.00 0.00 36.38 36.37 1y3k s VAL 9 CO 0.04 0.07 1.81 0.41 0.00 0.00 0.00 175.10 177.43 1y3k n THR 10 N 3.13 5.10 0.00 3.92 -1.04 -1.17 -4.18 114.28 120.04 1y3k n THR 10 Ca -0.14 -5.17 0.00 0.00 -2.04 0.00 0.00 64.05 56.70 1y3k n THR 10 Cb 0.58 -2.10 0.00 0.00 -1.82 0.00 0.00 70.33 66.99 1y3k n THR 10 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1y3k n GLY 11 N 1.70 0.00 0.31 3.41 0.00 -1.26 -4.90 105.19 104.44 1y3k n GLY 11 Ca 0.39 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 46.37 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 1.04 -3.58 1.61 -0.00 -1.96 -3.31 114.93 108.73 1y3k h MET 12 Ca 0.00 -0.06 -0.39 0.00 -0.00 0.00 0.00 59.70 59.25 1y3k h MET 12 Cb 0.00 -0.23 0.02 0.00 -0.00 0.00 0.00 31.60 31.39 1y3k h MET 12 CO 0.00 0.69 2.50 2.41 -0.00 0.00 0.00 176.91 182.51 1y3k n THR 13 N -4.53 2.25 -3.46 -0.10 -1.04 -1.26 -3.80 114.28 102.33 1y3k n THR 13 Ca 0.08 -1.40 0.00 0.00 -2.04 0.00 0.00 64.05 60.69 1y3k n THR 13 Cb 0.02 -2.12 0.00 0.00 -1.82 0.00 0.00 70.33 66.41 1y3k n THR 13 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1y3k n ALA 15 N -3.00 2.12 -3.42 0.00 0.00 -1.26 -3.97 120.51 110.97 1y3k n ALA 15 Ca 0.00 -3.05 -0.22 0.00 0.00 0.00 0.00 53.44 50.17 1y3k n ALA 15 Cb 0.00 -3.53 0.07 0.00 0.00 0.00 0.00 19.45 15.99 1y3k n ALA 15 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 1y3k n SER 16 N 12.60 -6.00 0.22 0.00 7.64 -1.26 -4.95 113.62 121.87 1y3k n SER 16 Ca 0.46 -0.46 -0.14 0.00 1.01 0.00 0.00 58.87 59.75 1y3k n SER 16 Cb 0.45 -4.66 -0.08 0.00 -1.01 0.00 0.00 64.21 58.91 1y3k n SER 16 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1y3k h VAL 18 N -0.88 0.64 -1.05 0.00 3.04 -1.90 -0.62 116.25 115.49 1y3k h VAL 18 Ca -0.06 -0.16 0.30 0.00 -1.01 0.00 0.00 66.70 65.77 1y3k h VAL 18 Cb 0.56 0.13 -0.13 0.00 -2.01 0.00 0.00 31.29 29.84 1y3k h VAL 18 CO 0.10 0.09 0.63 0.00 -1.01 0.00 0.00 177.57 177.37 1y3k h ALA 19 N 1.58 2.05 0.42 3.17 0.00 -1.92 0.34 119.26 124.90 1y3k h ALA 19 Ca 0.45 0.14 -0.02 0.00 0.00 0.00 0.00 54.91 55.48 1y3k h ALA 19 Cb 0.70 0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.59 1y3k h ALA 19 CO -0.42 -0.59 -0.20 -0.97 0.00 0.00 0.00 179.25 177.07 1y3k h ASN 20 N 0.38 -0.48 -1.00 0.00 -1.24 -1.20 -2.92 115.58 109.11 1y3k h ASN 20 Ca 0.70 -0.11 0.13 0.00 0.71 0.00 0.00 56.30 57.73 1y3k h ASN 20 Cb 1.63 0.12 -0.09 0.00 0.73 0.00 0.00 38.32 40.72 1y3k h ASN 20 CO -0.49 -0.13 0.63 0.40 -1.29 0.00 0.00 177.43 176.54 1y3k h ILE 21 N -0.87 0.89 0.00 2.57 1.08 -0.95 0.08 117.51 120.31 1y3k h ILE 21 Ca -0.06 -0.33 0.00 0.00 -0.39 0.00 0.00 64.86 64.08 1y3k h ILE 21 Cb 0.56 -0.16 0.00 0.00 -3.07 0.00 0.00 36.82 34.15 1y3k h ILE 21 CO 0.10 0.18 0.00 -0.62 -0.69 0.00 0.00 178.15 177.11 1y3k n GLU 22 N -4.64 0.00 -0.31 2.37 1.02 0.97 -0.92 120.64 119.14 1y3k n GLU 22 Ca 0.20 0.28 0.15 0.00 -0.02 0.00 0.00 57.16 57.77 1y3k n GLU 22 Cb 0.39 -1.03 0.30 0.00 -0.02 0.00 0.00 31.44 31.08 1y3k n GLU 22 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 1y3k n ARG 23 N -0.85 -0.07 -0.36 3.49 5.12 -1.11 0.18 116.66 123.06 1y3k n ARG 23 Ca 0.00 1.33 -0.01 0.00 -1.93 0.00 0.00 57.85 57.24 1y3k n ARG 23 Cb 0.00 -2.15 0.13 0.00 -1.16 0.00 0.00 32.46 29.28 1y3k n ARG 23 CO 0.00 0.00 0.00 -0.91 -1.93 0.00 0.00 177.63 174.79 1y3k h ASN 24 N 0.00 1.07 0.02 0.55 2.35 -0.62 -3.21 115.58 115.74 1y3k h ASN 24 Ca 0.57 -0.01 -0.34 0.00 -0.55 0.00 0.00 56.30 55.97 1y3k h ASN 24 Cb 1.24 -0.25 -0.06 0.00 0.05 0.00 0.00 38.32 39.29 1y3k h ASN 24 CO -0.82 0.74 -2.34 0.18 -1.65 0.00 0.00 177.43 173.54 1y3k n LEU 25 N -4.45 0.03 -0.33 1.61 4.77 0.24 -4.15 117.00 114.72 1y3k n LEU 25 Ca 0.13 0.02 0.22 0.00 -0.03 0.00 0.00 56.01 56.34 1y3k n LEU 25 Cb 0.08 0.45 0.49 0.00 -2.33 0.00 0.00 43.42 42.11 1y3k n LEU 25 CO 0.35 0.46 1.21 0.03 -1.33 0.00 0.00 177.39 178.11 1y3k h ARG 26 N 0.00 0.41 0.00 3.23 3.08 -0.30 0.79 114.38 121.59 1y3k h ARG 26 Ca -0.50 -0.02 0.00 0.00 0.07 0.00 0.00 59.98 59.52 1y3k h ARG 26 Cb 2.15 -0.09 0.00 0.00 0.08 0.00 0.00 29.97 32.11 1y3k h ARG 26 CO 0.03 0.27 -0.24 0.07 -1.07 0.00 0.00 179.97 179.03 1y3k h ARG 27 N 0.43 0.00 -6.66 0.04 0.11 -1.74 -3.48 114.38 103.08 1y3k h ARG 27 Ca 0.60 0.00 -0.53 0.00 0.10 0.00 0.00 59.98 60.16 1y3k h ARG 27 Cb 1.46 0.00 0.05 0.00 1.11 0.00 0.00 29.97 32.59 1y3k h ARG 27 CO -0.32 0.00 0.80 -1.21 0.10 0.00 0.00 179.97 179.34 1y3k s GLU 28 N -3.20 4.26 -1.08 0.08 2.02 0.27 -4.86 118.70 116.19 1y3k s GLU 28 Ca 0.07 2.29 -0.24 0.00 0.02 0.00 0.00 54.97 57.10 1y3k s GLU 28 Cb 0.09 -3.15 -0.16 0.00 0.10 0.00 0.00 34.13 31.01 1y3k s GLU 28 CO 0.67 -0.49 1.98 0.39 0.02 0.00 0.00 175.26 177.84 1y3k n GLU 29 N 3.19 1.00 0.00 1.61 1.02 -1.26 -0.91 120.64 125.29 1y3k n GLU 29 Ca 0.10 -2.11 0.00 0.00 -0.02 0.00 0.00 57.16 55.13 1y3k n GLU 29 Cb 0.40 -3.72 0.00 0.00 -0.02 0.00 0.00 31.44 28.10 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 5.80 0.85 3.71 0.62 0.00 -1.26 -4.51 105.19 110.40 1y3k n GLY 30 Ca 0.44 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 46.04 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 3.48 -0.13 -0.61 -1.09 -0.09 -3.34 121.20 119.43 1y3k s ILE 31 Ca 0.00 1.06 0.19 0.00 -2.23 0.00 0.00 60.65 59.66 1y3k s ILE 31 Cb 0.00 -3.68 -0.27 0.00 -1.58 0.00 0.00 42.46 36.93 1y3k s ILE 31 CO 0.00 0.08 0.21 -1.22 -1.23 0.00 0.00 174.94 172.77 1y3k n TYR 32 N 4.04 0.00 -3.57 3.97 4.01 0.04 -4.79 117.16 120.86 1y3k n TYR 32 Ca 0.11 0.00 -0.16 0.00 -0.16 0.00 0.00 57.90 57.69 1y3k n TYR 32 Cb 0.43 -0.78 -0.06 0.00 -0.31 0.00 0.00 39.34 38.62 1y3k n TYR 32 CO 0.00 0.00 0.00 0.45 -0.46 0.00 0.00 176.86 176.85 1y3k s SER 33 N -5.03 -0.54 0.37 7.72 0.15 -1.18 -4.95 113.70 110.23 1y3k s SER 33 Ca -0.09 0.52 0.08 0.00 0.70 0.00 0.00 55.95 57.16 1y3k s SER 33 Cb 0.08 0.49 -0.04 0.00 -1.71 0.00 0.00 66.02 64.85 1y3k s SER 33 CO 0.82 -0.60 0.22 -0.51 1.20 0.00 0.00 173.24 174.36 1y3k s ILE 34 N -1.45 2.90 -0.06 6.45 -1.16 -1.26 -0.11 121.20 126.52 1y3k s ILE 34 Ca -0.10 -1.58 -0.30 0.00 -0.51 0.00 0.00 60.65 58.16 1y3k s ILE 34 Cb -0.01 -3.02 -0.02 0.00 0.61 0.00 0.00 42.46 40.02 1y3k s ILE 34 CO 0.07 -0.11 1.03 -1.48 -2.81 0.00 0.00 174.94 171.64 1y3k s LEU 35 N -3.94 4.30 -0.38 8.50 0.05 -1.24 -4.40 118.68 121.58 1y3k s LEU 35 Ca 0.41 1.63 0.06 0.00 0.05 0.00 0.00 54.13 56.28 1y3k s LEU 35 Cb -0.02 -3.56 0.18 0.00 -2.05 0.00 0.00 46.19 40.74 1y3k s LEU 35 CO 0.24 -0.40 0.56 0.54 -0.55 0.00 0.00 176.35 176.74 1y3k s VAL 36 N 1.65 -0.85 -0.29 1.48 0.11 -1.26 -4.70 120.40 116.54 1y3k s VAL 36 Ca 0.51 -0.21 0.20 0.00 -2.93 0.00 0.00 61.98 59.56 1y3k s VAL 36 Cb -0.20 -0.34 0.48 0.00 -1.53 0.00 0.00 36.38 34.79 1y3k s VAL 36 CO 0.22 -0.13 1.12 0.00 -3.33 0.00 0.00 175.10 172.98 1y3k n ALA 37 N 4.60 2.78 -0.09 1.54 0.00 -0.71 -4.70 120.51 123.93 1y3k n ALA 37 Ca 0.09 -2.63 0.17 0.00 0.00 0.00 0.00 53.44 51.07 1y3k n ALA 37 Cb 0.54 -0.90 0.58 0.00 0.00 0.00 0.00 19.45 19.67 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 2.54 0.24 -0.84 0.00 5.85 -1.94 0.24 115.31 121.39 1y3k h LEU 38 Ca -0.16 0.01 0.27 0.00 0.84 0.00 0.00 57.88 58.84 1y3k h LEU 38 Cb 1.25 -0.04 -0.16 0.00 0.37 0.00 0.00 40.66 42.09 1y3k h LEU 38 CO 0.22 0.13 0.14 0.23 -0.34 0.00 0.00 178.44 178.82 1y3k n MET 39 N -4.44 -0.06 0.00 1.25 2.81 -1.26 -3.64 117.12 111.78 1y3k n MET 39 Ca 0.12 1.23 0.00 0.00 -1.81 0.00 0.00 57.70 57.24 1y3k n MET 39 Cb 0.54 -2.03 0.00 0.00 -0.71 0.00 0.00 33.22 31.02 1y3k n MET 39 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 1y3k n ALA 40 N -2.99 2.63 0.00 3.04 0.00 -0.71 -5.08 120.51 117.39 1y3k n ALA 40 Ca 0.23 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.67 1y3k n ALA 40 Cb 0.77 0.47 0.00 0.00 0.00 0.00 0.00 19.45 20.69 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 3.08 0.29 3.41 0.00 0.00 0.76 -5.08 105.19 107.65 1y3k n GLY 41 Ca 0.00 -0.27 -0.23 0.00 0.00 0.00 0.00 46.02 45.52 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 -0.22 1.61 1.02 -0.92 -4.58 119.74 118.49 1y3k s LYS 42 Ca 0.00 -2.10 -0.04 0.00 0.02 0.00 0.00 55.97 53.86 1y3k s LYS 42 Cb 0.00 -0.20 0.11 0.00 -0.52 0.00 0.00 37.83 37.22 1y3k s LYS 42 CO 0.00 -0.55 0.31 0.00 -0.92 0.00 0.00 175.35 174.19 1y3k s ALA 43 N -3.34 -0.74 -0.58 5.17 0.00 -0.40 -1.73 121.76 120.14 1y3k s ALA 43 Ca 0.31 0.68 0.03 0.00 0.00 0.00 0.00 51.96 52.99 1y3k s ALA 43 Cb 0.03 -1.48 0.14 0.00 0.00 0.00 0.00 23.12 21.81 1y3k s ALA 43 CO 0.20 -1.18 0.34 -2.00 0.00 0.00 0.00 175.76 173.12 1y3k s GLU 44 N 2.45 2.17 0.12 0.00 2.12 -1.26 -0.24 118.70 124.07 1y3k s GLU 44 Ca 0.09 -2.77 0.03 0.00 0.36 0.00 0.00 54.97 52.69 1y3k s GLU 44 Cb -0.15 -3.40 -0.04 0.00 0.26 0.00 0.00 34.13 30.80 1y3k s GLU 44 CO -0.14 -1.15 0.15 0.54 -0.54 0.00 0.00 175.26 174.12 1y3k s VAL 45 N -0.51 4.73 -0.10 3.70 0.11 -0.80 -3.60 120.40 123.94 1y3k s VAL 45 Ca 0.19 -0.83 0.04 0.00 -2.93 0.00 0.00 61.98 58.44 1y3k s VAL 45 Cb -0.21 -3.36 -0.00 0.00 -1.53 0.00 0.00 36.38 31.28 1y3k s VAL 45 CO -0.04 0.01 -0.23 -0.60 -3.33 0.00 0.00 175.10 170.91 1y3k s ARG 46 N -2.80 3.06 0.00 1.54 3.52 0.85 -0.21 118.95 124.90 1y3k s ARG 46 Ca 0.31 -0.86 0.00 0.00 -0.13 0.00 0.00 55.73 55.05 1y3k s ARG 46 Cb -0.11 -2.32 0.00 0.00 -1.56 0.00 0.00 34.95 30.95 1y3k s ARG 46 CO 0.24 0.19 0.00 2.48 -0.81 0.00 0.00 175.30 177.40 1y3k n TYR 47 N 3.49 0.00 -3.30 5.12 4.11 -0.76 -0.78 117.16 125.04 1y3k n TYR 47 Ca -0.19 0.00 -0.09 0.00 -0.00 0.00 0.00 57.90 57.62 1y3k n TYR 47 Cb 0.53 0.00 -0.05 0.00 -0.00 0.00 0.00 39.34 39.82 1y3k n TYR 47 CO 0.00 0.00 0.00 1.21 -0.00 0.00 0.00 176.86 178.07 1y3k s ASN 48 N -0.99 0.05 -1.01 9.48 2.47 -1.21 -3.66 114.94 120.07 1y3k s ASN 48 Ca 0.00 -1.11 -0.21 0.00 0.42 0.00 0.00 52.86 51.96 1y3k s ASN 48 Cb 0.00 1.16 -0.10 0.00 -1.45 0.00 0.00 41.25 40.86 1y3k s ASN 48 CO 0.00 -0.24 1.95 -0.81 -3.72 0.00 0.00 177.10 174.28 1y3k n PRO 49 N 4.46 1.83 0.00 0.43 -0.04 -1.26 -2.93 135.00 137.50 1y3k n PRO 49 Ca 0.10 -2.22 0.00 0.00 -0.04 0.00 0.00 63.50 61.34 1y3k n PRO 49 Cb 0.50 -3.22 0.00 0.00 -0.04 0.00 0.00 33.50 30.74 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 9.20 1.70 0.03 0.55 0.00 -1.26 -4.95 120.51 125.78 1y3k n ALA 50 Ca 0.49 0.00 -0.01 0.00 0.00 0.00 0.00 53.44 53.92 1y3k n ALA 50 Cb 0.42 0.00 -0.00 0.00 0.00 0.00 0.00 19.45 19.87 1y3k n ALA 50 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1y3k n VAL 51 N -2.30 0.94 0.09 0.00 0.31 -1.15 -4.93 118.33 111.30 1y3k n VAL 51 Ca 0.00 0.30 -0.13 0.00 -0.01 0.00 0.00 64.34 64.50 1y3k n VAL 51 Cb 0.00 -1.51 -0.07 0.00 -0.91 0.00 0.00 33.84 31.35 1y3k n VAL 51 CO 0.00 0.00 0.00 -0.29 -1.32 0.00 0.00 176.83 175.22 1y3k h ILE 52 N -0.07 0.88 -0.33 2.52 2.10 -1.78 -3.49 117.51 117.33 1y3k h ILE 52 Ca 0.00 0.00 0.00 0.00 1.08 0.00 0.00 64.86 65.94 1y3k h ILE 52 Cb 0.07 0.88 0.00 0.00 -1.09 0.00 0.00 36.82 36.68 1y3k h ILE 52 CO 0.00 0.00 -0.08 0.00 -1.08 0.00 0.00 178.15 176.99 1y3k n GLN 53 N -5.16 -0.42 -0.13 2.19 6.02 -1.25 -4.54 117.38 114.08 1y3k n GLN 53 Ca -0.08 0.31 -0.06 0.00 -0.01 0.00 0.00 57.00 57.16 1y3k n GLN 53 Cb 0.09 -0.34 0.03 0.00 1.02 0.00 0.00 30.24 31.04 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 0.23 0.39 -0.21 -1.09 0.13 -1.95 -1.51 132.00 127.98 1y3k h PRO 54 Ca 0.00 -0.02 -0.02 0.00 -0.87 0.00 0.00 66.00 65.09 1y3k h PRO 54 Cb 0.00 -0.09 -0.01 0.00 0.13 0.00 0.00 31.00 31.03 1y3k h PRO 54 CO 0.00 0.26 0.06 -1.00 -0.23 0.00 0.00 178.00 177.09 1y3k h PRO 55 N 0.40 0.30 0.24 1.56 0.13 -2.01 -3.17 132.00 129.44 1y3k h PRO 55 Ca 0.18 -0.03 -0.01 0.00 -0.87 0.00 0.00 66.00 65.27 1y3k h PRO 55 Cb 0.11 -0.06 0.00 0.00 0.13 0.00 0.00 31.00 31.18 1y3k h PRO 55 CO -0.14 0.27 -0.12 1.98 -0.23 0.00 0.00 178.00 179.76 1y3k h MET 56 N 0.30 -0.32 -0.14 0.86 4.05 -1.53 -2.55 114.93 115.61 1y3k h MET 56 Ca 0.07 0.02 0.03 0.00 -0.28 0.00 0.00 59.70 59.55 1y3k h MET 56 Cb 0.11 0.07 -0.07 0.00 -0.80 0.00 0.00 31.60 30.91 1y3k h MET 56 CO -0.00 -0.04 -0.52 -0.84 0.23 0.00 0.00 176.91 175.73 1y3k h ILE 57 N -0.57 0.03 -0.94 1.77 3.07 -1.45 0.92 117.51 120.35 1y3k h ILE 57 Ca -0.03 0.00 0.09 0.00 1.55 0.00 0.00 64.86 66.47 1y3k h ILE 57 Cb 0.42 0.03 -0.12 0.00 -0.27 0.00 0.00 36.82 36.88 1y3k h ILE 57 CO 0.05 0.00 -0.52 0.00 -1.05 0.00 0.00 178.15 176.63 1y3k n ALA 58 N -2.99 -0.52 0.07 0.16 0.00 -1.19 -0.06 120.51 115.98 1y3k n ALA 58 Ca -0.06 0.82 -0.12 0.00 0.00 0.00 0.00 53.44 54.08 1y3k n ALA 58 Cb 0.38 -0.18 -0.06 0.00 0.00 0.00 0.00 19.45 19.59 1y3k n ALA 58 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 1y3k h GLU 59 N 0.00 -0.17 -0.90 0.00 4.39 -0.99 -0.19 114.58 116.72 1y3k h GLU 59 Ca 0.18 0.01 0.17 0.00 0.34 0.00 0.00 59.36 60.06 1y3k h GLU 59 Cb 0.41 0.04 -0.17 0.00 -0.10 0.00 0.00 28.75 28.93 1y3k h GLU 59 CO -0.89 -0.11 -0.27 0.35 -1.16 0.00 0.00 179.01 176.93 1y3k h PHE 60 N -0.18 -0.63 -0.68 4.33 3.04 0.37 0.28 116.94 123.48 1y3k h PHE 60 Ca 0.02 0.09 -0.07 0.00 3.98 0.00 0.00 57.97 61.98 1y3k h PHE 60 Cb 0.19 0.42 -0.03 0.00 2.56 0.00 0.00 35.95 39.09 1y3k h PHE 60 CO -0.13 -0.39 0.13 0.82 -2.02 0.00 0.00 178.31 176.72 1y3k h ILE 61 N -0.01 1.26 0.00 1.41 2.04 0.40 -0.69 117.51 121.92 1y3k h ILE 61 Ca 0.40 -1.01 0.00 0.00 1.00 0.00 0.00 64.86 65.26 1y3k h ILE 61 Cb 0.64 0.61 0.00 0.00 -0.74 0.00 0.00 36.82 37.33 1y3k h ILE 61 CO -0.92 0.38 0.00 0.54 0.00 0.00 0.00 178.15 178.15 1y3k n ARG 62 N -4.24 0.10 -0.23 2.37 1.74 0.02 -2.75 116.66 113.66 1y3k n ARG 62 Ca 0.04 0.23 0.29 0.00 -0.77 0.00 0.00 57.85 57.64 1y3k n ARG 62 Cb 0.28 -1.50 0.69 0.00 -1.02 0.00 0.00 32.46 30.91 1y3k n ARG 62 CO 0.00 0.00 0.00 1.05 -1.52 0.00 0.00 177.63 177.16 1y3k h GLU 63 N 0.00 0.07 0.00 5.56 4.11 -0.34 0.13 114.58 124.11 1y3k h GLU 63 Ca 0.00 -0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.43 1y3k h GLU 63 Cb 0.10 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.33 1y3k h GLU 63 CO 0.00 0.05 -0.15 -0.07 0.07 0.00 0.00 179.01 178.91 1y3k h LEU 64 N 0.08 0.00 0.38 3.06 3.38 -1.73 -3.47 115.31 117.00 1y3k h LEU 64 Ca 0.48 -0.05 -0.10 0.00 0.09 0.00 0.00 57.88 58.30 1y3k h LEU 64 Cb 1.77 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 42.50 1y3k h LEU 64 CO -0.05 0.02 -0.10 0.61 0.09 0.00 0.00 178.44 179.01 1y3k n GLY 65 N 1.30 0.57 3.86 0.83 0.00 0.46 -5.04 105.19 107.15 1y3k n GLY 65 Ca 0.05 -0.79 -0.31 0.00 0.00 0.00 0.00 46.02 44.96 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 -2.20 3.47 -1.42 1.61 0.40 -1.26 -4.96 117.98 113.62 1y3k s PHE 66 Ca 0.00 1.29 -0.14 0.00 -0.60 0.00 0.00 56.93 57.48 1y3k s PHE 66 Cb 0.00 -2.65 0.06 0.00 0.51 0.00 0.00 43.02 40.94 1y3k s PHE 66 CO 0.00 -0.29 2.12 0.41 0.70 0.00 0.00 175.22 178.16 1y3k n GLY 67 N -1.57 4.27 3.85 4.36 0.00 -1.26 -4.77 105.19 110.07 1y3k n GLY 67 Ca 0.05 -1.65 -0.32 0.00 0.00 0.00 0.00 46.02 44.10 1y3k n GLY 67 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1y3k s ALA 68 N 2.90 3.20 -0.19 4.61 0.00 -1.26 -3.03 121.76 127.99 1y3k s ALA 68 Ca 0.47 0.08 -0.06 0.00 0.00 0.00 0.00 51.96 52.45 1y3k s ALA 68 Cb 0.12 -2.92 0.09 0.00 0.00 0.00 0.00 23.12 20.41 1y3k s ALA 68 CO -0.06 0.04 0.37 -0.08 0.00 0.00 0.00 175.76 176.03 1y3k s THR 69 N -2.31 -0.58 -0.14 0.00 -1.32 -0.37 -5.00 115.64 105.92 1y3k s THR 69 Ca 0.56 0.14 -0.05 0.00 -1.21 0.00 0.00 61.69 61.13 1y3k s THR 69 Cb -0.10 -0.65 -0.04 0.00 -1.51 0.00 0.00 72.50 70.21 1y3k s THR 69 CO 0.24 0.04 0.05 0.54 -2.21 0.00 0.00 174.62 173.28 1y3k s VAL 70 N 2.55 4.68 0.10 5.08 0.11 -1.26 -0.56 120.40 131.10 1y3k s VAL 70 Ca 0.02 -0.09 0.02 0.00 -2.93 0.00 0.00 61.98 59.00 1y3k s VAL 70 Cb -0.13 -3.05 -0.04 0.00 -1.53 0.00 0.00 36.38 31.63 1y3k s VAL 70 CO -0.12 0.54 -0.07 0.27 -3.33 0.00 0.00 175.10 172.38 1y3k s ILE 71 N -0.26 0.78 1.05 7.04 -4.36 0.35 -4.99 121.20 120.80 1y3k s ILE 71 Ca 0.08 -1.88 -0.12 0.00 -0.26 0.00 0.00 60.65 58.46 1y3k s ILE 71 Cb -0.12 -1.62 0.22 0.00 1.25 0.00 0.00 42.46 42.18 1y3k s ILE 71 CO 0.02 -0.80 1.07 -1.83 0.24 0.00 0.00 174.94 173.64 1y3k s GLU 72 N -3.61 0.03 0.10 0.37 -1.05 -1.26 -2.51 118.70 110.76 1y3k s GLU 72 Ca 0.11 0.66 -0.15 0.00 -0.15 0.00 0.00 54.97 55.44 1y3k s GLU 72 Cb 0.03 -1.68 0.05 0.00 -0.44 0.00 0.00 34.13 32.10 1y3k s GLU 72 CO -0.03 -3.04 0.73 -1.71 0.95 0.00 0.00 175.26 172.15 1y3k n ASN 73 N -4.41 -1.12 -4.47 0.83 5.15 -1.26 -4.63 115.26 105.35 1y3k n ASN 73 Ca 0.05 -1.54 -0.49 0.00 -0.60 0.00 0.00 54.58 52.00 1y3k n ASN 73 Cb 0.56 1.80 -0.07 0.00 -0.53 0.00 0.00 39.78 41.55 1y3k n ASN 73 CO 0.00 0.00 0.00 2.30 1.40 0.00 0.00 177.26 180.96 1y3k n ILE 74 N -0.51 0.19 -1.25 -1.44 -5.35 -1.26 -4.94 119.36 104.79 1y3k n ILE 74 Ca -0.01 -0.30 -0.29 0.00 -0.27 0.00 0.00 62.75 61.88 1y3k n ILE 74 Cb 0.39 -1.78 0.19 0.00 -1.74 0.00 0.00 39.64 36.70 1y3k n ILE 74 CO 0.00 0.00 0.00 -1.61 -1.76 0.00 0.00 176.55 173.18 1y3k s GLU 75 N 6.43 0.08 0.15 6.28 2.02 -1.26 -4.45 118.70 127.95 1y3k s GLU 75 Ca 1.09 0.26 -0.21 0.00 0.02 0.00 0.00 54.97 56.12 1y3k s GLU 75 Cb -0.77 -1.72 0.04 0.00 0.10 0.00 0.00 34.13 31.78 1y3k s GLU 75 CO 0.46 -2.91 1.64 0.78 0.02 0.00 0.00 175.26 175.26 1y3k h GLY 76 N -2.01 -0.03 0.00 -1.39 0.00 -1.92 -3.47 103.07 94.24 1y3k h GLY 76 Ca -0.51 0.25 0.00 0.00 0.00 0.00 0.00 47.33 47.06 1y3k h GLY 76 CO 0.51 -0.18 0.00 -2.13 0.00 0.00 0.00 176.54 174.74