#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 0.77 0.06 7.83 1.82 -1.95 -3.36 116.42 121.59 1k5k h ASP 2 Ca 0.00 0.06 0.00 0.00 -0.39 0.00 0.00 57.03 56.70 1k5k h ASP 2 Cb 0.00 -0.09 0.00 0.00 0.68 0.00 0.00 39.33 39.92 1k5k h ASP 2 CO 0.00 0.39 0.00 -0.81 -1.61 0.00 0.00 179.24 177.21 1k5k n PRO 3 N -4.71 0.40 0.00 0.28 -0.04 -1.26 -4.58 135.00 125.09 1k5k n PRO 3 Ca 0.17 0.03 0.00 0.00 -0.04 0.00 0.00 63.50 63.67 1k5k n PRO 3 Cb 0.37 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.33 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 -1.06 0.00 0.01 0.52 0.31 -1.26 -5.06 118.33 111.79 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 0.06 -0.17 0.00 0.00 -0.91 0.00 0.00 33.84 32.82 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 0.06 -4.45 4.52 5.75 -1.26 -5.05 116.55 116.12 1k5k n ASP 5 Ca 0.00 0.02 -0.33 0.00 -0.01 0.00 0.00 54.79 54.47 1k5k n ASP 5 Cb 0.00 -0.01 -0.13 0.00 -1.03 0.00 0.00 41.12 39.95 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 -2.00 3.02 0.00 0.11 0.04 -1.26 -4.45 135.00 130.46 1k5k s PRO 6 Ca 0.00 -0.65 0.00 0.00 0.04 0.00 0.00 61.00 60.39 1k5k s PRO 6 Cb 0.00 -2.57 0.00 0.00 0.04 0.00 0.00 34.50 31.97 1k5k s PRO 6 CO 0.00 0.42 0.10 0.09 0.04 0.00 0.00 177.00 177.65 1k5k n ASN 7 N 2.93 0.00 -3.59 6.66 3.02 -1.26 -4.37 115.26 118.64 1k5k n ASN 7 Ca -0.18 0.10 -0.29 0.00 -0.03 0.00 0.00 54.58 54.18 1k5k n ASN 7 Cb 0.53 0.00 -0.13 0.00 -0.61 0.00 0.00 39.78 39.57 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 -0.61 1.87 0.38 3.41 1.43 -1.26 -4.82 118.68 119.08 1k5k s LEU 8 Ca 0.00 -2.42 -0.16 0.00 -1.03 0.00 0.00 54.13 50.51 1k5k s LEU 8 Cb 0.00 -0.73 -0.09 0.00 0.03 0.00 0.00 46.19 45.40 1k5k s LEU 8 CO 0.00 -0.29 0.83 -0.70 0.23 0.00 0.00 176.35 176.42 1k5k s GLU 9 N 0.69 4.04 0.21 1.70 2.12 -1.26 -5.03 118.70 121.17 1k5k s GLU 9 Ca 0.18 0.81 -0.12 0.00 0.36 0.00 0.00 54.97 56.20 1k5k s GLU 9 Cb -0.23 -2.32 0.26 0.00 0.26 0.00 0.00 34.13 32.09 1k5k s GLU 9 CO 0.00 0.04 1.66 -1.35 -0.54 0.00 0.00 175.26 175.07 1k5k h PRO 10 N 1.93 0.08 -3.13 4.30 0.11 -1.97 -3.36 132.00 129.96 1k5k h PRO 10 Ca -0.48 -0.00 -0.49 0.00 0.11 0.00 0.00 66.00 65.13 1k5k h PRO 10 Cb 1.18 -0.02 -0.41 0.00 0.11 0.00 0.00 31.00 31.87 1k5k h PRO 10 CO 0.64 0.05 -0.76 -0.46 -0.21 0.00 0.00 178.00 177.26 1k5k s TRP 11 N -6.17 0.47 -0.30 0.65 -0.00 -1.26 -4.41 118.94 107.91 1k5k s TRP 11 Ca -0.14 -0.60 -0.05 0.00 -0.00 0.00 0.00 56.10 55.31 1k5k s TRP 11 Cb 0.18 -0.85 0.18 0.00 -0.00 0.00 0.00 33.47 32.99 1k5k s TRP 11 CO 0.73 -0.61 0.72 1.21 -0.00 0.00 0.00 176.95 179.00 1k5k s ASN 12 N 2.05 -1.14 -0.28 5.86 2.47 -1.26 -4.93 114.94 117.71 1k5k s ASN 12 Ca 0.03 0.81 0.02 0.00 0.42 0.00 0.00 52.86 54.14 1k5k s ASN 12 Cb -0.16 1.99 0.07 0.00 -1.45 0.00 0.00 41.25 41.70 1k5k s ASN 12 CO -0.15 -0.21 -0.06 -2.28 -3.72 0.00 0.00 177.10 170.68 1k5k s HIS 13 N 2.87 3.36 0.12 0.43 5.65 -1.26 -4.76 115.29 121.70 1k5k s HIS 13 Ca 0.13 -2.39 -0.19 0.00 0.25 0.00 0.00 55.06 52.86 1k5k s HIS 13 Cb -0.13 -2.16 -0.06 0.00 -1.18 0.00 0.00 32.58 29.05 1k5k s HIS 13 CO -0.19 -0.88 1.77 -1.35 -0.65 0.00 0.00 174.74 173.44 1k5k h PRO 14 N 7.78 0.29 0.00 2.88 0.11 -1.89 -3.48 132.00 137.69 1k5k h PRO 14 Ca -0.17 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.92 1k5k h PRO 14 Cb 1.04 -0.06 0.00 0.00 0.11 0.00 0.00 31.00 32.09 1k5k h PRO 14 CO 0.49 0.21 0.00 0.41 -0.21 0.00 0.00 178.00 178.89 1k5k n GLY 15 N -1.11 2.56 0.00 -0.55 0.00 -1.24 -4.35 105.19 100.50 1k5k n GLY 15 Ca -0.03 0.15 0.00 0.00 0.00 0.00 0.00 46.02 46.14 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 -4.74 1.61 3.41 -0.62 -4.06 113.62 109.22 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 -0.07 0.00 -0.26 0.00 0.00 64.21 63.88 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 0.68 2.74 -0.26 4.33 -1.52 -1.26 -2.24 119.66 122.13 1k5k s GLN 17 Ca 0.00 -0.85 -0.27 0.00 -1.95 0.00 0.00 55.36 52.29 1k5k s GLN 17 Cb 0.00 -2.60 0.01 0.00 -0.22 0.00 0.00 33.01 30.19 1k5k s GLN 17 CO 0.00 0.52 0.96 -1.25 -0.25 0.00 0.00 175.29 175.27 1k5k s PRO 18 N -2.68 4.18 0.00 2.91 0.04 -1.26 -4.72 135.00 133.47 1k5k s PRO 18 Ca 0.29 1.12 0.00 0.00 0.04 0.00 0.00 61.00 62.45 1k5k s PRO 18 Cb -0.11 -3.67 0.00 0.00 0.04 0.00 0.00 34.50 30.76 1k5k s PRO 18 CO 0.21 -0.65 0.00 0.54 0.04 0.00 0.00 177.00 177.14 1k5k n ARG 19 N 6.31 -0.01 -0.09 4.56 1.74 -1.26 -4.90 116.66 123.02 1k5k n ARG 19 Ca 0.09 -0.00 -0.18 0.00 -0.77 0.00 0.00 57.85 56.99 1k5k n ARG 19 Cb 0.47 0.01 -0.12 0.00 -1.02 0.00 0.00 32.46 31.79 1k5k n ARG 19 CO 0.00 0.00 0.00 1.15 -1.52 0.00 0.00 177.63 177.26 1k5k h THR 20 N 0.04 1.30 0.00 0.55 2.02 -1.66 -3.28 112.91 111.87 1k5k h THR 20 Ca 0.00 -2.24 -0.19 0.00 0.77 0.00 0.00 66.41 64.76 1k5k h THR 20 Cb 0.00 2.72 -0.03 0.00 -1.74 0.00 0.00 68.15 69.10 1k5k h THR 20 CO 0.00 0.44 -0.89 1.55 0.37 0.00 0.00 175.52 177.00 1k5k h PRO 21 N -1.00 0.00 -0.01 6.66 0.13 -1.80 -3.38 132.00 132.59 1k5k h PRO 21 Ca -0.18 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 64.95 1k5k h PRO 21 Cb 1.15 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.28 1k5k h PRO 21 CO -0.11 0.89 0.01 0.00 -0.23 0.00 0.00 178.00 178.55 1k5k n ASN 23 N -5.02 -7.80 -1.76 0.00 3.02 -1.26 -4.01 115.26 98.44 1k5k n ASN 23 Ca -0.07 1.07 -0.15 0.00 -0.03 0.00 0.00 54.58 55.41 1k5k n ASN 23 Cb 0.09 -4.40 0.07 0.00 -0.61 0.00 0.00 39.78 34.92 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 -4.18 1.73 -3.64 3.52 4.81 -1.26 -4.91 118.16 114.24 1k5k n LYS 24 Ca -0.05 -1.58 -0.04 0.00 -0.87 0.00 0.00 58.31 55.77 1k5k n LYS 24 Cb 0.63 -1.62 -0.07 0.00 0.02 0.00 0.00 35.03 33.99 1k5k n LYS 24 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1k5k n TYR 26 N 3.18 2.16 0.00 0.00 4.01 -1.26 -4.43 117.16 120.81 1k5k n TYR 26 Ca -0.16 0.29 0.00 0.00 -0.16 0.00 0.00 57.90 57.87 1k5k n TYR 26 Cb 0.57 -2.53 0.00 0.00 -0.31 0.00 0.00 39.34 37.07 1k5k n TYR 26 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1k5k n LYS 28 N 0.00 -3.25 -1.68 0.00 0.00 -1.26 -2.43 118.16 109.53 1k5k n LYS 28 Ca 0.00 2.58 -0.37 0.00 0.00 0.00 0.00 58.31 60.53 1k5k n LYS 28 Cb 0.00 -3.71 0.07 0.00 0.00 0.00 0.00 35.03 31.40 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 -0.84 2.46 0.16 1.64 2.36 -1.26 -4.13 119.74 120.13 1k5k s LYS 29 Ca -0.16 2.04 0.00 0.00 -2.55 0.00 0.00 55.97 55.30 1k5k s LYS 29 Cb 0.01 -1.84 0.00 0.00 -1.05 0.00 0.00 37.83 34.95 1k5k s LYS 29 CO 0.43 -1.66 0.00 0.00 1.55 0.00 0.00 175.35 175.67 1k5k s TYR 32 N -2.20 2.26 -0.28 0.00 5.04 -1.26 -4.94 117.35 115.96 1k5k s TYR 32 Ca 0.00 0.42 0.02 0.00 -2.44 0.00 0.00 57.07 55.07 1k5k s TYR 32 Cb 0.00 -3.81 0.17 0.00 0.35 0.00 0.00 41.96 38.66 1k5k s TYR 32 CO 0.00 -3.30 0.46 -1.58 -1.34 0.00 0.00 175.55 169.79 1k5k s HIS 33 N 3.67 -1.20 0.03 4.97 2.46 -1.26 -4.75 115.29 119.21 1k5k s HIS 33 Ca 0.69 0.71 -0.33 0.00 0.47 0.00 0.00 55.06 56.60 1k5k s HIS 33 Cb -0.31 0.04 -0.11 0.00 -0.13 0.00 0.00 32.58 32.06 1k5k s HIS 33 CO 0.27 -0.94 1.84 0.00 -2.47 0.00 0.00 174.74 173.43 1k5k n GLN 35 N 5.99 0.00 -1.57 0.00 -0.06 -1.26 -4.34 117.38 116.14 1k5k n GLN 35 Ca 0.20 0.00 -0.33 0.00 -2.00 0.00 0.00 57.00 54.87 1k5k n GLN 35 Cb 0.33 0.00 -0.04 0.00 -4.06 0.00 0.00 30.24 26.48 1k5k n GLN 35 CO 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 177.06 176.86 1k5k s MET 36 N 0.00 2.03 0.00 3.69 0.23 -1.16 -4.95 119.30 119.14 1k5k s MET 36 Ca 0.00 1.27 0.00 0.00 -1.03 0.00 0.00 55.69 55.93 1k5k s MET 36 Cb 0.00 -4.61 0.00 0.00 -1.53 0.00 0.00 34.83 28.69 1k5k s MET 36 CO 0.00 -3.44 0.63 0.00 -2.03 0.00 0.00 175.02 170.18 1k5k s PHE 38 N -1.72 -1.38 -0.28 0.00 0.08 -1.26 -4.88 117.98 108.54 1k5k s PHE 38 Ca 0.00 1.62 -0.07 0.00 0.12 0.00 0.00 56.93 58.60 1k5k s PHE 38 Cb 0.00 0.48 0.00 0.00 -0.57 0.00 0.00 43.02 42.93 1k5k s PHE 38 CO 0.00 -0.80 0.07 0.96 -0.10 0.00 0.00 175.22 175.35 1k5k s ILE 39 N 2.79 4.01 -1.24 0.64 -5.25 -1.26 -5.05 121.20 115.84 1k5k s ILE 39 Ca 0.15 -0.57 -0.20 0.00 -0.99 0.00 0.00 60.65 59.03 1k5k s ILE 39 Cb -0.15 -3.02 0.02 0.00 2.95 0.00 0.00 42.46 42.27 1k5k s ILE 39 CO -0.19 0.15 1.78 0.42 -1.79 0.00 0.00 174.94 175.30 1k5k s THR 40 N 1.52 3.94 -0.50 8.37 -4.23 -1.26 -4.94 115.64 118.54 1k5k s THR 40 Ca 0.04 -1.54 -0.16 0.00 -1.18 0.00 0.00 61.69 58.84 1k5k s THR 40 Cb -0.17 -5.00 0.09 0.00 1.34 0.00 0.00 72.50 68.77 1k5k s THR 40 CO 0.02 -1.72 0.46 -1.59 -0.54 0.00 0.00 174.62 171.25 1k5k s LYS 41 N 4.94 2.99 0.00 3.99 0.00 -1.26 -4.82 119.74 125.59 1k5k s LYS 41 Ca 0.58 -1.45 0.00 0.00 0.00 0.00 0.00 55.97 55.09 1k5k s LYS 41 Cb 0.02 -4.20 0.00 0.00 0.00 0.00 0.00 37.83 33.66 1k5k s LYS 41 CO 0.08 -1.17 0.00 0.41 0.00 0.00 0.00 175.35 174.67 1k5k n GLY 42 N 5.22 0.03 2.53 0.59 0.00 -1.26 -4.99 105.19 107.31 1k5k n GLY 42 Ca -0.13 -0.73 -0.40 0.00 0.00 0.00 0.00 46.02 44.76 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 7.84 0.00 0.99 4.77 -1.26 -4.61 117.00 124.72 1k5k n LEU 43 Ca 0.00 -4.35 0.00 0.00 -0.03 0.00 0.00 56.01 51.63 1k5k n LEU 43 Cb 0.00 -1.57 0.00 0.00 -2.33 0.00 0.00 43.42 39.52 1k5k n LEU 43 CO 0.00 1.66 0.04 0.61 -1.33 0.00 0.00 177.39 178.37 1k5k n GLY 44 N 3.54 -1.36 1.66 -0.72 0.00 -1.26 -4.98 105.19 102.07 1k5k n GLY 44 Ca 0.64 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.66 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 -0.12 0.24 -0.08 -0.61 5.41 -1.26 -4.58 119.36 118.36 1k5k n ILE 45 Ca 0.00 0.08 -0.08 0.00 1.00 0.00 0.00 62.75 63.75 1k5k n ILE 45 Cb 0.00 -0.87 -0.00 0.00 -0.71 0.00 0.00 39.64 38.06 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 0.12 -2.76 4.38 4.64 -1.92 0.54 113.55 118.54 1k5k h SER 46 Ca 0.00 0.03 -0.56 0.00 -0.47 0.00 0.00 61.79 60.79 1k5k h SER 46 Cb 0.16 0.01 -0.02 0.00 -0.31 0.00 0.00 62.40 62.24 1k5k h SER 46 CO 0.00 0.10 1.06 -0.31 -0.87 0.00 0.00 176.83 176.81 1k5k s TYR 47 N -6.17 2.25 -0.30 4.77 2.02 -1.26 -4.33 117.35 114.33 1k5k s TYR 47 Ca -0.13 0.54 -0.14 0.00 -0.37 0.00 0.00 57.07 56.97 1k5k s TYR 47 Cb 0.11 -3.85 0.15 0.00 -0.40 0.00 0.00 41.96 37.97 1k5k s TYR 47 CO 0.70 -2.91 0.92 0.20 -1.57 0.00 0.00 175.55 172.89 1k5k s GLY 48 N 3.38 -0.28 0.00 0.71 0.00 -1.26 -4.04 107.32 105.83 1k5k s GLY 48 Ca 0.68 2.92 0.00 0.00 0.00 0.00 0.00 44.72 48.31 1k5k s GLY 48 CO 0.26 3.12 0.69 -2.13 0.00 0.00 0.00 173.10 175.03 1k5k n ARG 49 N 4.91 0.00 -2.42 2.90 0.63 -1.26 -4.00 116.66 117.42 1k5k n ARG 49 Ca -0.11 0.44 -0.39 0.00 -0.92 0.00 0.00 57.85 56.87 1k5k n ARG 49 Cb 0.53 -1.31 0.02 0.00 0.45 0.00 0.00 32.46 32.15 1k5k n ARG 49 CO 0.00 0.00 0.00 1.17 -2.51 0.00 0.00 177.63 176.29 1k5k n LYS 50 N -1.83 4.36 0.00 -0.14 4.81 -1.26 -4.89 118.16 119.21 1k5k n LYS 50 Ca 0.00 -4.30 0.00 0.00 -0.87 0.00 0.00 58.31 53.14 1k5k n LYS 50 Cb 0.00 -2.38 0.00 0.00 0.02 0.00 0.00 35.03 32.67 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 -0.24 0.00 -1.98 1.64 5.02 -1.26 -5.15 118.16 116.19 1k5k n LYS 51 Ca 0.48 0.00 -0.03 0.00 -2.02 0.00 0.00 58.31 56.74 1k5k n LYS 51 Cb 0.27 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.29 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 -0.85 -4.31 1.97 0.63 0.18 -4.89 116.66 109.39 1k5k n ARG 52 Ca 0.00 1.08 -0.30 0.00 -0.92 0.00 0.00 57.85 57.71 1k5k n ARG 52 Cb 0.00 -2.97 -0.04 0.00 0.45 0.00 0.00 32.46 29.90 1k5k n ARG 52 CO 0.00 0.00 0.00 0.50 -2.51 0.00 0.00 177.63 175.62 1k5k s ARG 53 N -1.56 2.23 -0.20 -0.14 3.52 -1.24 -4.97 118.95 116.58 1k5k s ARG 53 Ca 0.09 -2.22 -0.04 0.00 -0.13 0.00 0.00 55.73 53.43 1k5k s ARG 53 Cb -0.02 -1.82 0.10 0.00 -1.56 0.00 0.00 34.95 31.64 1k5k s ARG 53 CO 0.27 -0.52 0.25 -1.14 -0.81 0.00 0.00 175.30 173.35 1k5k s GLN 54 N -4.10 0.21 -0.16 5.12 0.74 -1.26 -4.49 119.66 115.72 1k5k s GLN 54 Ca 0.19 0.29 -0.00 0.00 0.05 0.00 0.00 55.36 55.88 1k5k s GLN 54 Cb -0.01 -1.03 0.04 0.00 1.10 0.00 0.00 33.01 33.11 1k5k s GLN 54 CO 0.12 -0.63 -0.06 0.50 -0.55 0.00 0.00 175.29 174.67 1k5k s ARG 55 N 2.37 1.49 0.06 1.67 3.52 -1.26 -5.10 118.95 121.69 1k5k s ARG 55 Ca 0.08 -0.50 -0.29 0.00 -0.13 0.00 0.00 55.73 54.89 1k5k s ARG 55 Cb -0.15 -1.98 -0.05 0.00 -1.56 0.00 0.00 34.95 31.21 1k5k s ARG 55 CO -0.12 -0.41 0.91 0.50 -0.81 0.00 0.00 175.30 175.37 1k5k s ARG 56 N 1.63 4.61 0.00 5.12 3.52 -1.26 -4.53 118.95 128.04 1k5k s ARG 56 Ca 0.01 1.34 0.00 0.00 -0.13 0.00 0.00 55.73 56.95 1k5k s ARG 56 Cb -0.15 -3.40 0.00 0.00 -1.56 0.00 0.00 34.95 29.84 1k5k s ARG 56 CO -0.08 0.15 0.00 -2.13 -0.81 0.00 0.00 175.30 172.43 1k5k n ARG 57 N 3.15 0.00 -1.56 5.12 0.00 -1.26 -4.72 116.66 117.39 1k5k n ARG 57 Ca 0.02 0.00 -0.25 0.00 -0.00 0.00 0.00 57.85 57.62 1k5k n ARG 57 Cb 0.50 0.00 0.18 0.00 0.00 0.00 0.00 32.46 33.14 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 -1.77 -1.25 -0.32 -0.14 -0.04 -1.26 -5.02 135.00 125.19 1k5k n PRO 58 Ca 0.00 -1.73 -0.08 0.00 -0.04 0.00 0.00 63.50 61.65 1k5k n PRO 58 Cb 0.00 -1.19 -0.04 0.00 -0.04 0.00 0.00 33.50 32.23 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 -0.10 -3.69 0.54 0.11 -1.95 -3.41 132.00 123.50 1k5k h PRO 59 Ca -0.37 0.01 -0.16 0.00 0.11 0.00 0.00 66.00 65.59 1k5k h PRO 59 Cb 1.02 0.02 -0.21 0.00 0.11 0.00 0.00 31.00 31.94 1k5k h PRO 59 CO 0.26 -0.07 -0.57 -1.14 -0.21 0.00 0.00 178.00 176.27 1k5k s GLN 60 N -5.73 0.41 0.00 1.05 2.00 -1.24 -4.13 119.66 112.01 1k5k s GLN 60 Ca -0.13 -0.46 0.00 0.00 -2.00 0.00 0.00 55.36 52.76 1k5k s GLN 60 Cb 0.14 0.16 0.00 0.00 0.80 0.00 0.00 33.01 34.11 1k5k s GLN 60 CO 0.66 -0.09 0.27 0.41 -0.50 0.00 0.00 175.29 176.04 1k5k n GLY 61 N 1.55 -1.73 0.24 2.59 0.00 -1.26 -3.84 105.19 102.74 1k5k n GLY 61 Ca -0.23 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 45.77 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 -0.61 0.11 1.61 4.21 -1.96 -1.40 115.58 117.54 1k5k h ASN 62 Ca 0.00 0.18 0.00 0.00 1.21 0.00 0.00 56.30 57.69 1k5k h ASN 62 Cb 0.00 0.38 0.00 0.00 -1.12 0.00 0.00 38.32 37.58 1k5k h ASN 62 CO 0.00 -0.21 0.00 1.67 -1.29 0.00 0.00 177.43 177.60 1k5k n GLN 63 N -5.41 0.22 -0.08 0.81 7.27 -1.26 -0.88 117.38 118.05 1k5k n GLN 63 Ca 0.06 0.11 -0.18 0.00 0.07 0.00 0.00 57.00 57.06 1k5k n GLN 63 Cb 0.31 -1.50 -0.13 0.00 2.41 0.00 0.00 30.24 31.33 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 -1.17 1.26 -0.07 1.69 0.00 -0.55 -4.53 120.51 117.15 1k5k n ALA 64 Ca 0.06 -0.94 -0.10 0.00 0.00 0.00 0.00 53.44 52.47 1k5k n ALA 64 Cb 0.06 -0.35 -0.07 0.00 0.00 0.00 0.00 19.45 19.10 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 -4.16 0.00 3.86 -1.28 -3.39 115.15 110.21 1k5k h HIS 65 Ca -0.51 0.00 -0.50 0.00 -1.16 0.00 0.00 60.37 58.21 1k5k h HIS 65 Cb 1.98 0.00 0.07 0.00 1.06 0.00 0.00 27.41 30.53 1k5k h HIS 65 CO 0.04 0.62 0.39 -1.14 0.86 0.00 0.00 177.93 178.70 1k5k s GLN 66 N -2.04 3.24 -0.07 2.45 0.74 -0.06 -4.81 119.66 119.11 1k5k s GLN 66 Ca -0.14 1.36 -0.04 0.00 0.05 0.00 0.00 55.36 56.58 1k5k s GLN 66 Cb 0.00 -2.01 -0.01 0.00 1.10 0.00 0.00 33.01 32.09 1k5k s GLN 66 CO 0.38 -0.90 -0.09 -0.44 -0.55 0.00 0.00 175.29 173.70 1k5k h ASP 67 N 0.62 0.00 0.00 6.67 5.19 -1.84 -3.45 116.42 123.60 1k5k h ASP 67 Ca -0.48 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 55.93 1k5k h ASP 67 Cb 1.24 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.75 1k5k h ASP 67 CO 0.57 0.39 0.00 -0.81 -3.12 0.00 0.00 179.24 176.26 1k5k n PRO 68 N -3.49 0.00 0.00 3.56 -0.04 -1.26 -4.45 135.00 129.32 1k5k n PRO 68 Ca -0.03 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.43 1k5k n PRO 68 Cb 0.13 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.59 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 0.00 -4.92 1.53 4.77 -1.26 -4.65 117.00 112.47 1k5k n LEU 69 Ca 0.00 0.00 -0.26 0.00 -0.03 0.00 0.00 56.01 55.72 1k5k n LEU 69 Cb 0.00 0.22 0.01 0.00 -2.33 0.00 0.00 43.42 41.32 1k5k n LEU 69 CO 0.00 -0.36 0.45 -2.16 -1.33 0.00 0.00 177.39 173.98 1k5k s PRO 70 N -1.73 3.20 -0.20 3.23 0.04 -1.26 -4.62 135.00 133.66 1k5k s PRO 70 Ca 0.00 -0.01 -0.05 0.00 0.04 0.00 0.00 61.00 60.97 1k5k s PRO 70 Cb 0.00 -2.37 -0.13 0.00 0.04 0.00 0.00 34.50 32.04 1k5k s PRO 70 CO 0.00 -0.41 3.27 -0.85 0.04 0.00 0.00 177.00 179.05 1k5k n GLU 71 N -2.35 2.19 -3.72 4.56 0.00 -1.26 -3.99 120.64 116.07 1k5k n GLU 71 Ca 0.02 -1.57 -0.28 0.00 0.00 0.00 0.00 57.16 55.33 1k5k n GLU 71 Cb 0.57 -2.07 -0.12 0.00 0.00 0.00 0.00 31.44 29.82 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 -0.11 1.73 -1.40 3.44 -0.21 -1.26 -5.00 119.66 116.84 1k5k s GLN 72 Ca 0.64 -2.65 -0.15 0.00 0.02 0.00 0.00 55.36 53.22 1k5k s GLN 72 Cb 0.34 -2.61 0.05 0.00 1.00 0.00 0.00 33.01 31.80 1k5k s GLN 72 CO -0.09 -1.27 2.06 -0.35 -2.12 0.00 0.00 175.29 173.51 1k5k n PRO 73 N 2.65 2.98 0.00 2.91 -0.04 -1.26 -3.67 135.00 138.57 1k5k n PRO 73 Ca 0.19 -2.84 0.00 0.00 -0.04 0.00 0.00 63.50 60.81 1k5k n PRO 73 Cb 0.38 -3.36 0.00 0.00 -0.04 0.00 0.00 33.50 30.49 1k5k n PRO 73 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1k5k n SER 74 N 6.84 0.00 -4.54 3.54 2.88 -1.26 -4.70 113.62 116.39 1k5k n SER 74 Ca 0.51 0.00 -0.30 0.00 -1.33 0.00 0.00 58.87 57.75 1k5k n SER 74 Cb 0.41 0.00 -0.11 0.00 -0.75 0.00 0.00 64.21 63.77 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 0.87 4.17 -0.30 -3.46 1.04 -1.26 -2.63 113.70 112.13 1k5k s SER 75 Ca 0.00 -0.43 -0.00 0.00 0.48 0.00 0.00 55.95 56.00 1k5k s SER 75 Cb 0.00 -0.73 0.00 0.00 0.10 0.00 0.00 66.02 65.39 1k5k s SER 75 CO 0.00 0.19 0.00 1.67 0.98 0.00 0.00 173.24 176.09 1k5k n GLN 76 N 0.89 -3.40 -3.48 4.02 7.27 -1.26 -4.51 117.38 116.91 1k5k n GLN 76 Ca -0.15 2.73 -0.19 0.00 0.07 0.00 0.00 57.00 59.47 1k5k n GLN 76 Cb 0.52 -5.22 0.06 0.00 2.41 0.00 0.00 30.24 28.02 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 0.74 -2.16 0.00 3.69 -0.00 -1.26 -4.97 115.22 111.26 1k5k n HIS 77 Ca -0.00 0.84 0.00 0.00 -0.00 0.00 0.00 57.72 58.55 1k5k n HIS 77 Cb 0.03 -4.46 0.00 0.00 -0.00 0.00 0.00 29.99 25.56 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 -3.92 0.00 -2.67 1.57 5.12 -1.26 -4.79 116.66 110.71 1k5k n ARG 78 Ca -0.21 0.00 -0.09 0.00 -1.93 0.00 0.00 57.85 55.62 1k5k n ARG 78 Cb 0.65 0.00 0.03 0.00 -1.16 0.00 0.00 32.46 31.98 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 0.02 1.71 0.51 -0.13 0.00 -1.08 -4.14 105.19 102.08 1k5k n GLY 79 Ca 0.00 -1.33 0.29 0.00 0.00 0.00 0.00 46.02 44.98 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 2.95 0.00 0.00 1.61 2.03 -1.87 -3.36 116.42 117.78 1k5k h ASP 80 Ca -0.09 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.21 1k5k h ASP 80 Cb 1.18 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.68 1k5k h ASP 80 CO 0.49 0.00 0.00 0.00 -1.03 0.00 0.00 179.24 178.70 1k5k n HIS 81 N -3.51 0.00 -2.29 4.15 1.44 -1.26 -4.98 115.22 108.77 1k5k n HIS 81 Ca 0.21 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 55.92 1k5k n HIS 81 Cb 1.29 0.00 0.00 0.00 0.12 0.00 0.00 29.99 31.40 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 -0.35 2.13 -2.83 -1.40 -0.05 -1.26 -2.99 135.00 128.26 1k5k n PRO 82 Ca 0.00 0.00 -0.44 0.00 -0.05 0.00 0.00 63.50 63.01 1k5k n PRO 82 Cb 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 33.50 33.45 1k5k n PRO 82 CO 0.00 0.00 0.00 2.41 -0.05 0.00 0.00 175.50 177.86 1k5k n THR 83 N -0.41 4.16 0.00 0.52 -1.04 -1.26 -4.88 114.28 111.36 1k5k n THR 83 Ca 0.00 -4.54 0.00 0.00 -2.04 0.00 0.00 64.05 57.47 1k5k n THR 83 Cb 0.00 -2.43 0.00 0.00 -1.82 0.00 0.00 70.33 66.08 1k5k n THR 83 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1k5k n GLY 84 N 4.49 -1.58 0.14 3.41 0.00 -1.26 -5.00 105.19 105.38 1k5k n GLY 84 Ca 0.41 0.93 -0.21 0.00 0.00 0.00 0.00 46.02 47.14 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 0.45 -2.91 1.61 0.13 -1.85 -3.41 132.00 126.01 1k5k h PRO 85 Ca 0.00 -0.68 -0.61 0.00 -0.87 0.00 0.00 66.00 63.84 1k5k h PRO 85 Cb 0.00 0.24 -0.40 0.00 0.13 0.00 0.00 31.00 30.97 1k5k h PRO 85 CO 0.00 1.30 -0.74 0.21 -0.23 0.00 0.00 178.00 178.54 1k5k s LYS 86 N -2.70 1.46 0.00 0.86 2.20 -1.26 -4.34 119.74 115.96 1k5k s LYS 86 Ca -0.12 -2.29 0.00 0.00 -0.36 0.00 0.00 55.97 53.21 1k5k s LYS 86 Cb 0.03 -2.41 0.00 0.00 -1.51 0.00 0.00 37.83 33.94 1k5k s LYS 86 CO 0.88 -1.22 0.00 -1.91 -0.36 0.00 0.00 175.35 172.74