#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1k5k h ASP 2 N 0.00 0.00 0.46 7.83 1.82 -1.95 -3.35 116.42 121.23 1k5k h ASP 2 Ca 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.64 1k5k h ASP 2 Cb 0.00 0.00 0.00 0.00 0.68 0.00 0.00 39.33 40.01 1k5k h ASP 2 CO 0.00 0.09 0.00 -0.81 -1.61 0.00 0.00 179.24 176.91 1k5k n PRO 3 N -4.16 0.30 0.00 0.28 -0.04 -1.26 -4.62 135.00 125.50 1k5k n PRO 3 Ca -0.03 0.07 0.00 0.00 -0.04 0.00 0.00 63.50 63.51 1k5k n PRO 3 Cb 0.17 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.13 1k5k n PRO 3 CO 0.00 0.00 0.00 0.28 -0.04 0.00 0.00 175.50 175.74 1k5k n VAL 4 N -1.30 0.00 0.00 0.52 0.31 -1.26 -5.07 118.33 111.53 1k5k n VAL 4 Ca 0.10 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.43 1k5k n VAL 4 Cb 0.19 -0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.12 1k5k n VAL 4 CO 0.00 0.00 0.00 -0.90 -1.32 0.00 0.00 176.83 174.61 1k5k n ASP 5 N 0.00 0.00 -4.47 4.52 5.75 -1.26 -5.05 116.55 116.04 1k5k n ASP 5 Ca 0.00 0.00 -0.33 0.00 -0.01 0.00 0.00 54.79 54.45 1k5k n ASP 5 Cb 0.00 0.06 -0.13 0.00 -1.03 0.00 0.00 41.12 40.01 1k5k n ASP 5 CO 0.00 0.00 0.00 -2.16 -0.11 0.00 0.00 177.20 174.93 1k5k s PRO 6 N -1.83 2.70 0.00 0.11 0.04 -1.26 -4.59 135.00 130.17 1k5k s PRO 6 Ca 0.00 -0.68 0.00 0.00 0.04 0.00 0.00 61.00 60.36 1k5k s PRO 6 Cb 0.00 -2.45 0.00 0.00 0.04 0.00 0.00 34.50 32.09 1k5k s PRO 6 CO 0.00 0.55 0.22 0.09 0.04 0.00 0.00 177.00 177.90 1k5k n ASN 7 N 2.54 0.00 -3.47 6.66 3.02 -1.26 -4.41 115.26 118.33 1k5k n ASN 7 Ca -0.17 0.25 -0.18 0.00 -0.03 0.00 0.00 54.58 54.45 1k5k n ASN 7 Cb 0.52 -0.05 -0.12 0.00 -0.61 0.00 0.00 39.78 39.52 1k5k n ASN 7 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 1k5k s LEU 8 N -1.32 -0.11 0.15 3.41 1.43 -1.26 -4.73 118.68 116.26 1k5k s LEU 8 Ca 0.00 -0.39 0.04 0.00 -1.03 0.00 0.00 54.13 52.76 1k5k s LEU 8 Cb 0.00 0.38 -0.04 0.00 0.03 0.00 0.00 46.19 46.56 1k5k s LEU 8 CO 0.00 -0.35 0.16 -0.70 0.23 0.00 0.00 176.35 175.69 1k5k s GLU 9 N 2.32 3.00 0.42 1.70 2.12 -1.26 -5.05 118.70 121.96 1k5k s GLU 9 Ca 0.08 -0.80 0.25 0.00 0.36 0.00 0.00 54.97 54.86 1k5k s GLU 9 Cb -0.15 -2.71 1.31 0.00 0.26 0.00 0.00 34.13 32.84 1k5k s GLU 9 CO -0.18 0.50 1.66 -1.35 -0.54 0.00 0.00 175.26 175.35 1k5k h PRO 10 N 2.43 0.17 -2.62 4.30 0.11 -1.96 -3.31 132.00 131.12 1k5k h PRO 10 Ca -0.48 -0.01 -0.20 0.00 0.11 0.00 0.00 66.00 65.43 1k5k h PRO 10 Cb 1.20 -0.04 -0.32 0.00 0.11 0.00 0.00 31.00 31.95 1k5k h PRO 10 CO 0.64 0.11 -0.50 -0.46 -0.21 0.00 0.00 178.00 177.59 1k5k s TRP 11 N -5.39 -0.53 -0.31 0.65 -0.00 -1.26 -4.71 118.94 107.39 1k5k s TRP 11 Ca -0.08 0.97 0.06 0.00 -0.00 0.00 0.00 56.10 57.05 1k5k s TRP 11 Cb 0.29 -0.00 0.20 0.00 -0.00 0.00 0.00 33.47 33.96 1k5k s TRP 11 CO 0.81 -0.46 0.61 1.21 -0.00 0.00 0.00 176.95 179.12 1k5k s ASN 12 N 2.46 -1.59 -0.35 5.86 3.84 -1.25 -4.94 114.94 118.98 1k5k s ASN 12 Ca 0.03 0.05 -0.03 0.00 0.21 0.00 0.00 52.86 53.12 1k5k s ASN 12 Cb -0.13 2.00 0.07 0.00 -0.55 0.00 0.00 41.25 42.65 1k5k s ASN 12 CO -0.11 -0.28 0.10 -2.28 -2.79 0.00 0.00 177.10 171.75 1k5k s HIS 13 N 2.70 3.40 0.13 0.43 5.65 -1.26 -4.74 115.29 121.60 1k5k s HIS 13 Ca 0.11 -2.04 -0.19 0.00 0.25 0.00 0.00 55.06 53.19 1k5k s HIS 13 Cb -0.09 -2.60 -0.00 0.00 -1.18 0.00 0.00 32.58 28.70 1k5k s HIS 13 CO -0.23 -0.86 1.72 -1.35 -0.65 0.00 0.00 174.74 173.36 1k5k h PRO 14 N 8.05 0.08 0.00 2.88 0.11 -1.88 -3.47 132.00 137.77 1k5k h PRO 14 Ca -0.18 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.93 1k5k h PRO 14 Cb 1.06 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 32.15 1k5k h PRO 14 CO 0.61 0.05 0.00 0.41 -0.21 0.00 0.00 178.00 178.86 1k5k n GLY 15 N -1.20 3.17 0.00 -0.55 0.00 -1.26 -4.15 105.19 101.20 1k5k n GLY 15 Ca -0.01 -0.06 0.00 0.00 0.00 0.00 0.00 46.02 45.95 1k5k n GLY 15 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1k5k n SER 16 N 0.00 0.00 -4.48 1.61 3.41 -0.94 -3.82 113.62 109.40 1k5k n SER 16 Ca 0.00 0.00 -0.28 0.00 -0.26 0.00 0.00 58.87 58.33 1k5k n SER 16 Cb 0.00 0.00 -0.11 0.00 -0.26 0.00 0.00 64.21 63.84 1k5k n SER 16 CO 0.00 0.00 0.00 -1.10 -0.16 0.00 0.00 175.04 173.78 1k5k s GLN 17 N 1.32 1.72 -0.55 4.33 -1.52 -1.24 -3.48 119.66 120.25 1k5k s GLN 17 Ca 0.00 -1.34 -0.20 0.00 -1.95 0.00 0.00 55.36 51.87 1k5k s GLN 17 Cb 0.00 -2.01 0.07 0.00 -0.22 0.00 0.00 33.01 30.84 1k5k s GLN 17 CO 0.00 0.44 0.73 -1.25 -0.25 0.00 0.00 175.29 174.95 1k5k s PRO 18 N -2.49 3.14 -1.71 2.91 0.04 -1.26 -4.38 135.00 131.25 1k5k s PRO 18 Ca 0.20 -0.87 -0.15 0.00 0.04 0.00 0.00 61.00 60.22 1k5k s PRO 18 Cb -0.09 -4.14 0.14 0.00 0.04 0.00 0.00 34.50 30.45 1k5k s PRO 18 CO 0.11 -1.39 0.54 -2.13 0.04 0.00 0.00 177.00 174.17 1k5k n ARG 19 N 6.57 -1.93 -0.11 4.56 0.63 -1.26 -4.95 116.66 120.17 1k5k n ARG 19 Ca -0.06 0.25 -0.23 0.00 -0.92 0.00 0.00 57.85 56.89 1k5k n ARG 19 Cb 0.45 -4.64 -0.11 0.00 0.45 0.00 0.00 32.46 28.62 1k5k n ARG 19 CO 0.00 0.00 0.00 2.41 -2.51 0.00 0.00 177.63 177.53 1k5k n THR 20 N -4.31 1.53 0.08 5.15 -1.04 -1.23 -2.79 114.28 111.68 1k5k n THR 20 Ca -0.02 -0.09 -0.09 0.00 -2.04 0.00 0.00 64.05 61.80 1k5k n THR 20 Cb 0.54 -2.02 -0.08 0.00 -1.82 0.00 0.00 70.33 66.94 1k5k n THR 20 CO 0.00 0.00 0.00 1.55 -0.64 0.00 0.00 175.07 175.98 1k5k h PRO 21 N -1.00 0.13 -0.38 -2.82 0.13 -1.80 -3.40 132.00 122.86 1k5k h PRO 21 Ca -0.41 -0.18 -0.08 0.00 -0.87 0.00 0.00 66.00 64.46 1k5k h PRO 21 Cb 1.34 0.06 -0.02 0.00 0.13 0.00 0.00 31.00 32.52 1k5k h PRO 21 CO -0.25 1.03 -0.09 0.00 -0.23 0.00 0.00 178.00 178.46 1k5k n ASN 23 N -4.19 -7.16 -0.92 0.00 3.02 -1.26 -4.09 115.26 100.66 1k5k n ASN 23 Ca 0.01 0.50 -0.01 0.00 -0.03 0.00 0.00 54.58 55.05 1k5k n ASN 23 Cb 0.33 -3.66 0.05 0.00 -0.61 0.00 0.00 39.78 35.89 1k5k n ASN 23 CO 0.00 0.00 0.00 1.17 -2.62 0.00 0.00 177.26 175.81 1k5k n LYS 24 N -3.72 1.46 -3.52 3.52 4.81 -1.26 -4.95 118.16 114.49 1k5k n LYS 24 Ca 0.01 -0.50 -0.14 0.00 -0.87 0.00 0.00 58.31 56.80 1k5k n LYS 24 Cb 0.55 -1.45 -0.05 0.00 0.02 0.00 0.00 35.03 34.10 1k5k n LYS 24 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1k5k s TYR 26 N -1.70 3.63 0.00 0.00 2.02 -1.26 -4.48 117.35 115.56 1k5k s TYR 26 Ca -0.05 1.76 0.00 0.00 -0.37 0.00 0.00 57.07 58.41 1k5k s TYR 26 Cb -0.00 -3.02 0.00 0.00 -0.40 0.00 0.00 41.96 38.53 1k5k s TYR 26 CO 0.03 -0.03 0.00 0.00 -1.57 0.00 0.00 175.55 173.98 1k5k n LYS 28 N 0.00 -1.18 -2.01 0.00 0.00 -1.26 -2.21 118.16 111.50 1k5k n LYS 28 Ca 0.00 1.24 -0.39 0.00 0.00 0.00 0.00 58.31 59.16 1k5k n LYS 28 Cb 0.00 -1.25 0.00 0.00 0.00 0.00 0.00 35.03 33.78 1k5k n LYS 28 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.40 177.61 1k5k s LYS 29 N -0.44 3.80 0.09 1.64 2.36 -1.26 -3.70 119.74 122.23 1k5k s LYS 29 Ca -0.02 2.16 0.00 0.00 -2.55 0.00 0.00 55.97 55.56 1k5k s LYS 29 Cb 0.00 -2.64 0.00 0.00 -1.05 0.00 0.00 37.83 34.14 1k5k s LYS 29 CO 0.07 -0.64 0.00 0.00 1.55 0.00 0.00 175.35 176.33 1k5k s TYR 32 N -2.62 2.62 -0.25 0.00 5.04 -1.26 -4.94 117.35 115.94 1k5k s TYR 32 Ca 0.00 0.84 -0.05 0.00 -2.44 0.00 0.00 57.07 55.42 1k5k s TYR 32 Cb 0.00 -3.78 0.13 0.00 0.35 0.00 0.00 41.96 38.66 1k5k s TYR 32 CO 0.00 -1.99 0.48 -1.58 -1.34 0.00 0.00 175.55 171.12 1k5k s HIS 33 N 4.19 -1.05 -0.06 4.97 2.46 -1.26 -4.54 115.29 120.00 1k5k s HIS 33 Ca 0.59 1.49 -0.30 0.00 0.47 0.00 0.00 55.06 57.32 1k5k s HIS 33 Cb -0.20 0.35 -0.05 0.00 -0.13 0.00 0.00 32.58 32.55 1k5k s HIS 33 CO 0.21 -0.66 1.63 0.00 -2.47 0.00 0.00 174.74 173.46 1k5k n GLN 35 N 7.11 0.00 -1.55 0.00 -0.06 -1.26 -4.33 117.38 117.29 1k5k n GLN 35 Ca 0.17 0.00 -0.30 0.00 -2.00 0.00 0.00 57.00 54.87 1k5k n GLN 35 Cb 0.43 0.00 -0.05 0.00 -4.06 0.00 0.00 30.24 26.56 1k5k n GLN 35 CO 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 177.06 176.86 1k5k n MET 36 N 0.00 0.88 0.00 3.69 0.00 -1.15 -4.96 117.12 115.59 1k5k n MET 36 Ca 0.00 -0.23 0.00 0.00 0.00 0.00 0.00 57.70 57.47 1k5k n MET 36 Cb 0.00 -3.46 0.00 0.00 0.00 0.00 0.00 33.22 29.76 1k5k n MET 36 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 1k5k n PHE 38 N -1.98 -3.58 -2.68 0.00 3.72 -1.26 -4.86 117.46 106.83 1k5k n PHE 38 Ca 0.00 -1.30 -0.43 0.00 -0.05 0.00 0.00 57.45 55.67 1k5k n PHE 38 Cb 0.00 1.46 -0.02 0.00 -0.94 0.00 0.00 39.48 39.97 1k5k n PHE 38 CO 0.00 0.00 0.00 0.96 -0.05 0.00 0.00 176.76 177.67 1k5k s ILE 39 N 0.88 4.61 -1.26 4.37 -5.25 -1.26 -5.00 121.20 118.29 1k5k s ILE 39 Ca 0.29 1.81 -0.13 0.00 -0.99 0.00 0.00 60.65 61.63 1k5k s ILE 39 Cb 0.01 -4.34 0.15 0.00 2.95 0.00 0.00 42.46 41.22 1k5k s ILE 39 CO -0.06 -0.33 1.64 0.35 -1.79 0.00 0.00 174.94 174.75 1k5k n THR 40 N 5.61 4.17 -3.45 8.37 -2.24 -1.26 -4.93 114.28 120.55 1k5k n THR 40 Ca 0.11 -4.44 -0.44 0.00 -2.27 0.00 0.00 64.05 57.01 1k5k n THR 40 Cb 0.47 -2.43 -0.04 0.00 -2.10 0.00 0.00 70.33 66.22 1k5k n THR 40 CO 0.00 0.00 0.00 -1.59 -0.57 0.00 0.00 175.07 172.91 1k5k s LYS 41 N 1.85 3.31 0.00 -0.78 0.00 -1.26 -4.81 119.74 118.05 1k5k s LYS 41 Ca 0.44 -2.52 0.00 0.00 0.00 0.00 0.00 55.97 53.90 1k5k s LYS 41 Cb 0.02 -4.22 0.00 0.00 0.00 0.00 0.00 37.83 33.63 1k5k s LYS 41 CO 0.01 -1.26 0.00 0.41 0.00 0.00 0.00 175.35 174.51 1k5k n GLY 42 N 3.77 1.64 2.80 0.59 0.00 -1.26 -5.08 105.19 107.65 1k5k n GLY 42 Ca 0.13 -0.34 -0.42 0.00 0.00 0.00 0.00 46.02 45.38 1k5k n GLY 42 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1k5k n LEU 43 N 0.00 6.92 0.00 0.99 4.77 -1.26 -4.57 117.00 123.85 1k5k n LEU 43 Ca 0.00 -4.81 0.00 0.00 -0.03 0.00 0.00 56.01 51.17 1k5k n LEU 43 Cb 0.00 -1.41 0.00 0.00 -2.33 0.00 0.00 43.42 39.68 1k5k n LEU 43 CO 0.00 1.59 0.00 0.61 -1.33 0.00 0.00 177.39 178.26 1k5k n GLY 44 N 2.26 0.91 1.75 -0.72 0.00 -1.17 -4.93 105.19 103.29 1k5k n GLY 44 Ca 0.42 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.44 1k5k n GLY 44 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1k5k n ILE 45 N -1.05 0.05 -0.17 -0.61 5.41 -1.26 -4.37 119.36 117.36 1k5k n ILE 45 Ca 0.00 0.02 -0.02 0.00 1.00 0.00 0.00 62.75 63.75 1k5k n ILE 45 Cb 0.00 -0.34 0.06 0.00 -0.71 0.00 0.00 39.64 38.66 1k5k n ILE 45 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 176.55 177.32 1k5k h SER 46 N 0.00 -0.25 -3.18 4.38 4.64 -1.93 0.43 113.55 117.65 1k5k h SER 46 Ca 0.00 0.13 -0.57 0.00 -0.47 0.00 0.00 61.79 60.88 1k5k h SER 46 Cb 0.00 0.23 -0.06 0.00 -0.31 0.00 0.00 62.40 62.26 1k5k h SER 46 CO 0.00 -0.09 0.86 -0.31 -0.87 0.00 0.00 176.83 176.42 1k5k s TYR 47 N -6.17 3.09 -0.30 4.77 2.02 -1.26 -4.50 117.35 114.99 1k5k s TYR 47 Ca -0.14 1.19 -0.19 0.00 -0.37 0.00 0.00 57.07 57.57 1k5k s TYR 47 Cb 0.17 -3.59 0.19 0.00 -0.40 0.00 0.00 41.96 38.32 1k5k s TYR 47 CO 0.73 -0.96 1.26 0.20 -1.57 0.00 0.00 175.55 175.21 1k5k s GLY 48 N 1.75 0.19 0.00 0.71 0.00 -1.25 -3.06 107.32 105.66 1k5k s GLY 48 Ca 0.48 3.53 -0.09 0.00 0.00 0.00 0.00 44.72 48.65 1k5k s GLY 48 CO 0.14 3.50 0.79 -0.09 0.00 0.00 0.00 173.10 177.44 1k5k h ARG 49 N 7.26 -0.30 -2.43 2.90 2.43 -1.95 -3.31 114.38 118.98 1k5k h ARG 49 Ca -0.13 0.02 -0.79 0.00 -0.81 0.00 0.00 59.98 58.27 1k5k h ARG 49 Cb 1.14 0.07 -0.29 0.00 -0.42 0.00 0.00 29.97 30.47 1k5k h ARG 49 CO 0.00 -0.20 0.82 1.17 -1.51 0.00 0.00 179.97 180.26 1k5k n LYS 50 N -3.17 4.98 0.00 0.20 4.81 -1.26 -4.93 118.16 118.79 1k5k n LYS 50 Ca -0.04 -4.65 0.00 0.00 -0.87 0.00 0.00 58.31 52.75 1k5k n LYS 50 Cb 0.12 -2.46 0.00 0.00 0.02 0.00 0.00 35.03 32.71 1k5k n LYS 50 CO 0.00 0.00 0.00 1.63 1.17 0.00 0.00 177.40 180.20 1k5k n LYS 51 N 0.33 0.00 -2.07 1.64 5.02 -1.24 -5.16 118.16 116.68 1k5k n LYS 51 Ca 0.40 0.00 -0.00 0.00 -2.02 0.00 0.00 58.31 56.69 1k5k n LYS 51 Cb 0.29 0.00 -0.00 0.00 -0.02 0.00 0.00 35.03 35.30 1k5k n LYS 51 CO 0.00 0.00 0.00 -2.13 -0.52 0.00 0.00 177.40 174.75 1k5k n ARG 52 N 0.00 -1.70 0.00 1.97 0.63 0.14 -5.01 116.66 112.69 1k5k n ARG 52 Ca 0.00 1.61 0.00 0.00 -0.92 0.00 0.00 57.85 58.54 1k5k n ARG 52 Cb 0.00 -3.07 0.00 0.00 0.45 0.00 0.00 32.46 29.84 1k5k n ARG 52 CO 0.00 0.00 0.00 -2.13 -2.51 0.00 0.00 177.63 172.99 1k5k n ARG 53 N 0.37 1.87 -3.15 -0.14 0.63 -1.26 -4.95 116.66 110.03 1k5k n ARG 53 Ca -0.01 0.00 0.06 0.00 -0.92 0.00 0.00 57.85 56.97 1k5k n ARG 53 Cb 0.02 0.00 -0.00 0.00 0.45 0.00 0.00 32.46 32.93 1k5k n ARG 53 CO 0.00 0.00 0.00 -1.14 -2.51 0.00 0.00 177.63 173.98 1k5k s GLN 54 N 1.05 0.11 -0.10 -0.14 0.74 -1.26 -4.52 119.66 115.54 1k5k s GLN 54 Ca 0.00 0.12 0.02 0.00 0.05 0.00 0.00 55.36 55.55 1k5k s GLN 54 Cb 0.00 0.06 0.01 0.00 1.10 0.00 0.00 33.01 34.18 1k5k s GLN 54 CO 0.00 -0.20 -0.16 0.50 -0.55 0.00 0.00 175.29 174.88 1k5k s ARG 55 N 2.97 2.27 -0.18 1.67 3.52 -1.26 -5.11 118.95 122.82 1k5k s ARG 55 Ca 0.25 -0.59 -0.01 0.00 -0.13 0.00 0.00 55.73 55.25 1k5k s ARG 55 Cb -0.02 -1.89 -0.00 0.00 -1.56 0.00 0.00 34.95 31.48 1k5k s ARG 55 CO -0.21 -0.02 -0.12 0.50 -0.81 0.00 0.00 175.30 174.64 1k5k s ARG 56 N 0.86 3.24 0.00 5.12 3.52 -1.26 -4.54 118.95 125.89 1k5k s ARG 56 Ca -0.09 -0.72 0.00 0.00 -0.13 0.00 0.00 55.73 54.79 1k5k s ARG 56 Cb -0.15 -2.75 0.00 0.00 -1.56 0.00 0.00 34.95 30.48 1k5k s ARG 56 CO 0.00 -0.10 0.00 -2.13 -0.81 0.00 0.00 175.30 172.26 1k5k n ARG 57 N 4.42 0.00 -0.68 5.12 0.00 -1.26 -4.90 116.66 119.35 1k5k n ARG 57 Ca -0.19 0.00 -0.13 0.00 -0.00 0.00 0.00 57.85 57.53 1k5k n ARG 57 Cb 0.51 0.00 0.10 0.00 0.00 0.00 0.00 32.46 33.07 1k5k n ARG 57 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.63 177.28 1k5k n PRO 58 N -1.73 -1.16 0.31 -0.14 -0.04 -1.26 -5.04 135.00 125.93 1k5k n PRO 58 Ca 0.00 -0.85 -0.16 0.00 -0.04 0.00 0.00 63.50 62.44 1k5k n PRO 58 Cb 0.00 -0.66 -0.08 0.00 -0.04 0.00 0.00 33.50 32.72 1k5k n PRO 58 CO 0.00 0.00 0.00 -1.35 -0.04 0.00 0.00 175.50 174.11 1k5k h PRO 59 N 0.00 -0.72 -3.57 0.54 0.11 -1.91 -3.41 132.00 123.04 1k5k h PRO 59 Ca -0.19 0.05 -0.15 0.00 0.11 0.00 0.00 66.00 65.82 1k5k h PRO 59 Cb 0.54 0.16 -0.21 0.00 0.11 0.00 0.00 31.00 31.60 1k5k h PRO 59 CO 0.13 -0.45 -0.53 -1.14 -0.21 0.00 0.00 178.00 175.80 1k5k s GLN 60 N -5.71 0.43 0.00 1.05 2.00 -1.12 -3.67 119.66 112.64 1k5k s GLN 60 Ca -0.16 -0.38 0.00 0.00 -2.00 0.00 0.00 55.36 52.82 1k5k s GLN 60 Cb 0.03 0.18 0.00 0.00 0.80 0.00 0.00 33.01 34.02 1k5k s GLN 60 CO 0.59 -0.10 0.55 0.41 -0.50 0.00 0.00 175.29 176.25 1k5k n GLY 61 N 1.62 -2.75 0.25 2.59 0.00 -1.26 -3.81 105.19 101.83 1k5k n GLY 61 Ca -0.22 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 45.73 1k5k n GLY 61 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 1k5k h ASN 62 N 0.00 0.77 0.17 1.61 4.21 -1.97 -0.91 115.58 119.45 1k5k h ASN 62 Ca 0.00 -0.13 0.00 0.00 1.21 0.00 0.00 56.30 57.38 1k5k h ASN 62 Cb 0.00 -0.20 0.00 0.00 -1.12 0.00 0.00 38.32 37.00 1k5k h ASN 62 CO 0.00 0.67 0.00 1.67 -1.29 0.00 0.00 177.43 178.48 1k5k n GLN 63 N -4.54 0.23 -0.06 0.81 7.27 -1.26 -0.78 117.38 119.04 1k5k n GLN 63 Ca 0.04 0.13 -0.15 0.00 0.07 0.00 0.00 57.00 57.08 1k5k n GLN 63 Cb 0.12 -1.50 -0.14 0.00 2.41 0.00 0.00 30.24 31.13 1k5k n GLN 63 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 1k5k n ALA 64 N -1.21 1.31 -0.06 1.69 0.00 -0.56 -4.49 120.51 117.20 1k5k n ALA 64 Ca 0.07 -0.94 -0.06 0.00 0.00 0.00 0.00 53.44 52.50 1k5k n ALA 64 Cb 0.08 -0.44 -0.05 0.00 0.00 0.00 0.00 19.45 19.04 1k5k n ALA 64 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1k5k h HIS 65 N 0.02 0.00 -4.22 0.00 3.86 -0.94 -3.39 115.15 110.48 1k5k h HIS 65 Ca -0.47 0.00 -0.50 0.00 -1.16 0.00 0.00 60.37 58.24 1k5k h HIS 65 Cb 2.04 0.00 0.09 0.00 1.06 0.00 0.00 27.41 30.60 1k5k h HIS 65 CO 0.03 0.40 0.37 -1.14 0.86 0.00 0.00 177.93 178.45 1k5k s GLN 66 N -1.87 2.99 -0.13 2.45 0.74 0.04 -4.64 119.66 119.24 1k5k s GLN 66 Ca -0.09 1.24 -0.09 0.00 0.05 0.00 0.00 55.36 56.47 1k5k s GLN 66 Cb -0.00 -1.99 -0.03 0.00 1.10 0.00 0.00 33.01 32.09 1k5k s GLN 66 CO 0.27 -1.08 -0.18 -3.47 -0.55 0.00 0.00 175.29 170.28 1k5k n ASP 67 N -2.43 1.55 0.00 6.67 2.03 -1.26 -4.82 116.55 118.29 1k5k n ASP 67 Ca 0.09 0.52 0.00 0.00 0.52 0.00 0.00 54.79 55.93 1k5k n ASP 67 Cb 0.53 -0.80 0.00 0.00 -0.72 0.00 0.00 41.12 40.13 1k5k n ASP 67 CO 0.00 0.00 0.00 -0.81 -1.92 0.00 0.00 177.20 174.47 1k5k n PRO 68 N -4.24 0.00 0.04 -0.67 -0.04 -1.26 -4.54 135.00 124.29 1k5k n PRO 68 Ca -0.07 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.39 1k5k n PRO 68 Cb 0.26 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.72 1k5k n PRO 68 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 1k5k n LEU 69 N 0.00 -0.51 -4.93 1.53 4.77 -1.26 -4.76 117.00 111.84 1k5k n LEU 69 Ca 0.00 0.14 -0.26 0.00 -0.03 0.00 0.00 56.01 55.86 1k5k n LEU 69 Cb 0.00 0.74 0.04 0.00 -2.33 0.00 0.00 43.42 41.87 1k5k n LEU 69 CO 0.00 -0.43 0.52 -2.16 -1.33 0.00 0.00 177.39 174.00 1k5k s PRO 70 N -2.00 2.75 -1.31 3.23 0.04 -1.26 -4.58 135.00 131.87 1k5k s PRO 70 Ca 0.00 -0.14 -0.12 0.00 0.04 0.00 0.00 61.00 60.78 1k5k s PRO 70 Cb 0.00 -2.28 0.13 0.00 0.04 0.00 0.00 34.50 32.39 1k5k s PRO 70 CO 0.00 -0.79 1.85 -0.85 0.04 0.00 0.00 177.00 177.25 1k5k n GLU 71 N -2.61 3.37 -3.34 4.56 0.00 -1.26 -4.09 120.64 117.27 1k5k n GLU 71 Ca 0.05 -3.37 -0.15 0.00 0.00 0.00 0.00 57.16 53.69 1k5k n GLU 71 Cb 0.58 -3.08 -0.07 0.00 0.00 0.00 0.00 31.44 28.88 1k5k n GLU 71 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.13 176.48 1k5k s GLN 72 N 1.55 0.67 -0.40 3.44 -0.21 -1.26 -5.03 119.66 118.42 1k5k s GLN 72 Ca 0.43 -0.80 -0.29 0.00 0.02 0.00 0.00 55.36 54.72 1k5k s GLN 72 Cb 0.08 -0.63 0.01 0.00 1.00 0.00 0.00 33.01 33.47 1k5k s GLN 72 CO -0.01 -1.20 1.28 -1.25 -2.12 0.00 0.00 175.29 171.99 1k5k s PRO 73 N 1.46 3.73 0.00 2.91 0.04 -1.26 -3.19 135.00 138.69 1k5k s PRO 73 Ca 0.17 0.89 0.00 0.00 0.04 0.00 0.00 61.00 62.10 1k5k s PRO 73 Cb -0.14 -3.94 0.00 0.00 0.04 0.00 0.00 34.50 30.46 1k5k s PRO 73 CO -0.03 -1.37 0.00 0.45 0.04 0.00 0.00 177.00 176.09 1k5k n SER 74 N 8.12 0.00 -4.19 6.66 2.88 -1.26 -4.77 113.62 121.06 1k5k n SER 74 Ca 0.14 0.00 -0.11 0.00 -1.33 0.00 0.00 58.87 57.57 1k5k n SER 74 Cb 0.48 0.00 -0.10 0.00 -0.75 0.00 0.00 64.21 63.84 1k5k n SER 74 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 1k5k s SER 75 N 2.00 1.01 -0.32 -3.46 1.04 -1.26 -3.29 113.70 109.42 1k5k s SER 75 Ca 0.00 -1.09 -0.04 0.00 0.48 0.00 0.00 55.95 55.30 1k5k s SER 75 Cb 0.00 0.14 0.00 0.00 0.10 0.00 0.00 66.02 66.26 1k5k s SER 75 CO 0.00 -0.55 0.34 1.67 0.98 0.00 0.00 173.24 175.69 1k5k n GLN 76 N -0.11 -0.95 -3.31 4.02 7.27 -1.26 -4.44 117.38 118.61 1k5k n GLN 76 Ca -0.09 1.18 -0.16 0.00 0.07 0.00 0.00 57.00 57.99 1k5k n GLN 76 Cb 0.62 -3.72 0.08 0.00 2.41 0.00 0.00 30.24 29.62 1k5k n GLN 76 CO 0.00 0.00 0.00 1.58 0.07 0.00 0.00 177.06 178.71 1k5k n HIS 77 N -0.95 -2.34 0.00 3.69 -0.00 -1.26 -4.98 115.22 109.38 1k5k n HIS 77 Ca 0.03 0.88 0.00 0.00 -0.00 0.00 0.00 57.72 58.63 1k5k n HIS 77 Cb 0.38 -4.49 0.00 0.00 -0.00 0.00 0.00 29.99 25.88 1k5k n HIS 77 CO 0.00 0.00 0.00 0.54 -0.00 0.00 0.00 176.34 176.88 1k5k n ARG 78 N -3.56 0.00 -2.98 1.57 5.12 -1.26 -4.80 116.66 110.74 1k5k n ARG 78 Ca -0.15 0.00 -0.25 0.00 -1.93 0.00 0.00 57.85 55.52 1k5k n ARG 78 Cb 0.64 0.00 -0.04 0.00 -1.16 0.00 0.00 32.46 31.90 1k5k n ARG 78 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1k5k n GLY 79 N 0.09 5.15 0.44 -0.13 0.00 -1.19 -4.30 105.19 105.25 1k5k n GLY 79 Ca 0.00 -2.53 0.26 0.00 0.00 0.00 0.00 46.02 43.75 1k5k n GLY 79 CO 0.00 0.00 0.00 1.29 0.00 0.00 0.00 173.32 174.61 1k5k h ASP 80 N 2.97 0.00 0.00 1.61 2.03 -1.86 -3.43 116.42 117.75 1k5k h ASP 80 Ca 0.13 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.43 1k5k h ASP 80 Cb 0.62 -0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.12 1k5k h ASP 80 CO 0.75 0.00 0.00 0.00 -1.03 0.00 0.00 179.24 178.96 1k5k n HIS 81 N -4.30 0.00 -0.91 4.15 1.44 -1.26 -4.98 115.22 109.35 1k5k n HIS 81 Ca 0.16 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 55.87 1k5k n HIS 81 Cb 0.86 0.00 0.00 0.00 0.12 0.00 0.00 29.99 30.97 1k5k n HIS 81 CO 0.00 0.00 0.00 -0.35 -2.81 0.00 0.00 176.34 173.18 1k5k n PRO 82 N -1.48 0.49 -2.69 -1.40 -0.05 -1.26 -2.91 135.00 125.69 1k5k n PRO 82 Ca 0.00 0.00 -0.42 0.00 -0.05 0.00 0.00 63.50 63.03 1k5k n PRO 82 Cb 0.00 0.00 -0.02 0.00 -0.05 0.00 0.00 33.50 33.43 1k5k n PRO 82 CO 0.00 0.00 0.00 0.99 -0.05 0.00 0.00 175.50 176.44 1k5k s THR 83 N -0.43 4.26 0.00 0.52 2.01 -1.26 -4.86 115.64 115.88 1k5k s THR 83 Ca 0.00 -1.32 0.00 0.00 0.31 0.00 0.00 61.69 60.68 1k5k s THR 83 Cb 0.00 -4.99 0.00 0.00 0.01 0.00 0.00 72.50 67.52 1k5k s THR 83 CO 0.00 -1.81 0.00 0.61 -0.69 0.00 0.00 174.62 172.73 1k5k n GLY 84 N 6.04 -1.15 0.11 4.40 0.00 -1.26 -5.01 105.19 108.32 1k5k n GLY 84 Ca 0.33 0.85 -0.16 0.00 0.00 0.00 0.00 46.02 47.05 1k5k n GLY 84 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1k5k h PRO 85 N 0.00 0.24 -2.72 1.61 0.13 -1.86 -3.41 132.00 125.99 1k5k h PRO 85 Ca 0.00 -0.41 -0.59 0.00 -0.87 0.00 0.00 66.00 64.14 1k5k h PRO 85 Cb 0.00 0.15 -0.39 0.00 0.13 0.00 0.00 31.00 30.89 1k5k h PRO 85 CO 0.00 1.12 -0.82 0.21 -0.23 0.00 0.00 178.00 178.28 1k5k s LYS 86 N -2.63 0.73 0.00 0.86 2.20 -1.26 -4.09 119.74 115.55 1k5k s LYS 86 Ca -0.07 -1.47 0.00 0.00 -0.36 0.00 0.00 55.97 54.07 1k5k s LYS 86 Cb 0.07 -1.58 0.00 0.00 -1.51 0.00 0.00 37.83 34.81 1k5k s LYS 86 CO 0.86 -1.19 0.00 -1.91 -0.36 0.00 0.00 175.35 172.75