#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 0.51 0.18 7.83 1.82 -1.94 -3.34 116.42 121.48 1k5k h ASP 2 Ca 0.00 0.13 0.00 0.00 -0.39 0.00 0.00 57.03 56.77 1k5k h ASP 2 Cb 0.00 0.05 0.00 0.00 0.68 0.00 0.00 39.33 40.06 1k5k h ASP 2 CO 0.00 0.02 0.00 -0.81 -1.61 0.00 0.00 179.24 176.84 1k5k n PRO 3 N -4.80 0.00 0.00 0.28 -0.04 -1.26 -4.64 135.00 124.54 1k5k n PRO 3 Ca 0.28 0.40 0.00 0.00 -0.04 0.00 0.00 63.50 64.14 1k5k n PRO 3 Cb 0.92 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.88 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 -1.49 0.00 0.00 0.52 0.31 -1.26 -5.04 118.33 111.37 1k5k n VAL 4 Ca 0.01 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.34 1k5k n VAL 4 Cb 0.06 -0.07 0.00 0.00 -0.91 0.00 0.00 33.84 32.93 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 0.48 -4.43 4.52 5.75 -1.26 -5.04 116.55 116.56 1k5k n ASP 5 Ca 0.00 0.00 -0.34 0.00 -0.01 0.00 0.00 54.79 54.44 1k5k n ASP 5 Cb 0.00 0.00 -0.13 0.00 -1.03 0.00 0.00 41.12 39.96 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 -1.89 3.55 0.00 0.11 0.04 -1.26 -4.59 135.00 130.96 1k5k s PRO 6 Ca 0.00 -0.57 0.00 0.00 0.04 0.00 0.00 61.00 60.47 1k5k s PRO 6 Cb 0.00 -2.91 0.00 0.00 0.04 0.00 0.00 34.50 31.63 1k5k s PRO 6 CO 0.00 0.11 0.29 0.09 0.04 0.00 0.00 177.00 177.54 1k5k n ASN 7 N 3.90 0.00 -3.51 6.66 3.02 -1.26 -4.44 115.26 119.63 1k5k n ASN 7 Ca -0.18 0.29 -0.27 0.00 -0.03 0.00 0.00 54.58 54.40 1k5k n ASN 7 Cb 0.52 0.00 -0.14 0.00 -0.61 0.00 0.00 39.78 39.55 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 -0.74 0.46 -0.06 3.41 1.43 -1.26 -4.75 118.68 117.17 1k5k s LEU 8 Ca 0.00 -1.30 -0.09 0.00 -1.03 0.00 0.00 54.13 51.71 1k5k s LEU 8 Cb 0.00 -0.21 -0.05 0.00 0.03 0.00 0.00 46.19 45.96 1k5k s LEU 8 CO 0.00 -0.42 0.23 -0.70 0.23 0.00 0.00 176.35 175.70 1k5k s GLU 9 N 2.03 3.58 0.34 1.70 2.12 -1.26 -5.04 118.70 122.17 1k5k s GLU 9 Ca 0.10 0.00 0.21 0.00 0.36 0.00 0.00 54.97 55.64 1k5k s GLU 9 Cb -0.16 -3.17 1.22 0.00 0.26 0.00 0.00 34.13 32.27 1k5k s GLU 9 CO -0.32 0.73 1.38 -2.30 -0.54 0.00 0.00 175.26 174.21 1k5k n PRO 10 N 1.71 -0.05 -3.41 4.30 -0.02 -1.26 -3.48 135.00 132.79 1k5k n PRO 10 Ca -0.16 1.19 -0.16 0.00 -2.02 0.00 0.00 63.50 62.34 1k5k n PRO 10 Cb 0.54 -2.18 -0.10 0.00 -0.02 0.00 0.00 33.50 31.74 1k5k n PRO 10 CO 0.00 0.00 0.00 -0.46 1.98 0.00 0.00 175.50 177.02 1k5k s TRP 11 N -5.27 -0.48 -0.28 6.00 -0.00 -1.26 -4.55 118.94 113.11 1k5k s TRP 11 Ca -0.08 0.05 -0.00 0.00 -0.00 0.00 0.00 56.10 56.07 1k5k s TRP 11 Cb 0.29 -0.37 0.16 0.00 -0.00 0.00 0.00 33.47 33.55 1k5k s TRP 11 CO 0.69 -0.83 0.48 1.21 -0.00 0.00 0.00 176.95 178.50 1k5k s ASN 12 N 2.38 -0.45 -0.31 5.86 2.47 -1.23 -4.97 114.94 118.70 1k5k s ASN 12 Ca 0.09 0.30 -0.00 0.00 0.42 0.00 0.00 52.86 53.67 1k5k s ASN 12 Cb -0.14 1.54 0.07 0.00 -1.45 0.00 0.00 41.25 41.26 1k5k s ASN 12 CO -0.26 -0.30 0.01 -2.28 -3.72 0.00 0.00 177.10 170.55 1k5k s HIS 13 N 2.67 3.37 0.12 0.43 5.65 -1.26 -4.78 115.29 121.49 1k5k s HIS 13 Ca 0.14 -2.18 -0.18 0.00 0.25 0.00 0.00 55.06 53.09 1k5k s HIS 13 Cb -0.14 -2.31 -0.03 0.00 -1.18 0.00 0.00 32.58 28.91 1k5k s HIS 13 CO -0.21 -0.86 1.71 -1.35 -0.65 0.00 0.00 174.74 173.38 1k5k h PRO 14 N 7.91 0.44 0.00 2.88 0.11 -1.87 -3.47 132.00 137.99 1k5k h PRO 14 Ca -0.18 -0.06 0.00 0.00 0.11 0.00 0.00 66.00 65.88 1k5k h PRO 14 Cb 1.05 -0.08 0.00 0.00 0.11 0.00 0.00 31.00 32.08 1k5k h PRO 14 CO 0.54 0.39 0.00 0.41 -0.21 0.00 0.00 178.00 179.13 1k5k n GLY 15 N -0.91 2.74 0.00 -0.55 0.00 -1.24 -4.27 105.19 100.96 1k5k n GLY 15 Ca -0.02 0.08 0.00 0.00 0.00 0.00 0.00 46.02 46.09 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 -4.49 1.61 3.41 -0.71 -4.27 113.62 109.17 1k5k n SER 16 Ca 0.00 0.00 -0.30 0.00 -0.26 0.00 0.00 58.87 58.31 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 1.22 1.85 -0.31 4.33 -1.52 -1.25 -2.68 119.66 121.29 1k5k s GLN 17 Ca 0.00 -1.14 -0.23 0.00 -1.95 0.00 0.00 55.36 52.04 1k5k s GLN 17 Cb 0.00 -2.14 -0.00 0.00 -0.22 0.00 0.00 33.01 30.65 1k5k s GLN 17 CO 0.00 0.49 0.75 -1.25 -0.25 0.00 0.00 175.29 175.03 1k5k s PRO 18 N -2.06 3.92 0.00 2.91 0.04 -1.26 -4.58 135.00 133.96 1k5k s PRO 18 Ca 0.18 0.48 0.00 0.00 0.04 0.00 0.00 61.00 61.70 1k5k s PRO 18 Cb -0.11 -3.74 0.00 0.00 0.04 0.00 0.00 34.50 30.69 1k5k s PRO 18 CO 0.10 -0.68 0.00 0.54 0.04 0.00 0.00 177.00 177.00 1k5k n ARG 19 N 6.17 -0.87 -0.06 4.56 1.74 -1.25 -4.89 116.66 122.05 1k5k n ARG 19 Ca 0.03 -0.43 -0.04 0.00 -0.77 0.00 0.00 57.85 56.64 1k5k n ARG 19 Cb 0.48 0.77 -0.01 0.00 -1.02 0.00 0.00 32.46 32.68 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 2.63 0.02 0.00 0.55 2.02 -1.72 -3.26 112.91 113.16 1k5k h THR 20 Ca 0.00 -1.02 -0.02 0.00 0.77 0.00 0.00 66.41 66.14 1k5k h THR 20 Cb 0.00 0.04 -0.00 0.00 -1.74 0.00 0.00 68.15 66.45 1k5k h THR 20 CO 0.00 0.01 -1.17 -0.81 0.37 0.00 0.00 175.52 173.92 1k5k n PRO 21 N -4.66 0.61 -0.08 6.66 -0.04 -1.25 -4.34 135.00 131.90 1k5k n PRO 21 Ca -0.05 0.10 -0.11 0.00 -0.04 0.00 0.00 63.50 63.39 1k5k n PRO 21 Cb 0.20 -1.79 -0.04 0.00 -0.04 0.00 0.00 33.50 31.82 1k5k n PRO 21 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1k5k n ASN 23 N -4.63 -5.65 -2.49 0.00 3.02 -1.26 -4.03 115.26 100.22 1k5k n ASN 23 Ca -0.04 0.40 -0.35 0.00 -0.03 0.00 0.00 54.58 54.56 1k5k n ASN 23 Cb 0.25 -2.89 0.05 0.00 -0.61 0.00 0.00 39.78 36.58 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 -3.17 2.89 -3.65 3.52 4.81 -1.26 -5.00 118.16 116.30 1k5k n LYS 24 Ca 0.00 -3.57 -0.01 0.00 -0.87 0.00 0.00 58.31 53.86 1k5k n LYS 24 Cb 0.43 -2.28 -0.07 0.00 0.02 0.00 0.00 35.03 33.14 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 0.26 2.71 0.00 0.00 2.02 -1.26 -4.45 117.35 116.63 1k5k s TYR 26 Ca 0.04 1.36 0.00 0.00 -0.37 0.00 0.00 57.07 58.10 1k5k s TYR 26 Cb -0.04 -3.75 0.00 0.00 -0.40 0.00 0.00 41.96 37.76 1k5k s TYR 26 CO -0.14 -2.36 0.00 0.00 -1.57 0.00 0.00 175.55 171.48 1k5k n LYS 28 N 0.00 -1.34 -1.98 0.00 0.00 -1.26 -2.82 118.16 110.76 1k5k n LYS 28 Ca 0.00 1.37 -0.39 0.00 0.00 0.00 0.00 58.31 59.29 1k5k n LYS 28 Cb 0.00 -2.35 0.01 0.00 0.00 0.00 0.00 35.03 32.69 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 -0.74 3.70 0.04 1.64 2.36 -1.26 -3.95 119.74 121.53 1k5k s LYS 29 Ca -0.06 2.16 0.00 0.00 -2.55 0.00 0.00 55.97 55.53 1k5k s LYS 29 Cb 0.00 -2.57 0.00 0.00 -1.05 0.00 0.00 37.83 34.21 1k5k s LYS 29 CO 0.25 -0.72 0.00 0.00 1.55 0.00 0.00 175.35 176.44 1k5k s TYR 32 N -2.43 2.11 -0.23 0.00 6.14 -1.26 -4.95 117.35 116.72 1k5k s TYR 32 Ca 0.00 0.12 -0.03 0.00 0.64 0.00 0.00 57.07 57.80 1k5k s TYR 32 Cb 0.00 -4.03 0.10 0.00 0.42 0.00 0.00 41.96 38.46 1k5k s TYR 32 CO 0.00 -4.27 0.22 -1.58 0.64 0.00 0.00 175.55 170.56 1k5k s HIS 33 N 3.24 -0.20 -0.32 4.97 2.46 -1.26 -4.70 115.29 119.48 1k5k s HIS 33 Ca 0.77 -0.07 -0.34 0.00 0.47 0.00 0.00 55.06 55.89 1k5k s HIS 33 Cb -0.40 -0.49 -0.10 0.00 -0.13 0.00 0.00 32.58 31.46 1k5k s HIS 33 CO 0.34 -0.71 2.19 0.00 -2.47 0.00 0.00 174.74 174.09 1k5k n GLN 35 N 8.27 0.00 -1.54 0.00 -0.06 -1.26 -4.32 117.38 118.47 1k5k n GLN 35 Ca 0.39 0.00 -0.36 0.00 -2.00 0.00 0.00 57.00 55.03 1k5k n GLN 35 Cb 0.27 0.00 -0.07 0.00 -4.06 0.00 0.00 30.24 26.38 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 0.71 0.00 3.69 0.00 -1.15 -4.92 117.12 115.45 1k5k n MET 36 Ca 0.00 -0.05 0.00 0.00 0.00 0.00 0.00 57.70 57.65 1k5k n MET 36 Cb 0.00 -2.89 0.00 0.00 0.00 0.00 0.00 33.22 30.33 1k5k n MET 36 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 1k5k s PHE 38 N -1.99 -1.48 -0.24 0.00 0.08 -1.26 -4.87 117.98 108.22 1k5k s PHE 38 Ca 0.00 1.40 -0.11 0.00 0.12 0.00 0.00 56.93 58.33 1k5k s PHE 38 Cb 0.00 0.45 -0.05 0.00 -0.57 0.00 0.00 43.02 42.86 1k5k s PHE 38 CO 0.00 -0.82 0.20 0.96 -0.10 0.00 0.00 175.22 175.45 1k5k s ILE 39 N 2.87 5.33 -1.32 0.64 -5.25 -1.26 -5.04 121.20 117.18 1k5k s ILE 39 Ca 0.16 0.26 -0.15 0.00 -0.99 0.00 0.00 60.65 59.92 1k5k s ILE 39 Cb -0.13 -3.53 0.09 0.00 2.95 0.00 0.00 42.46 41.84 1k5k s ILE 39 CO -0.21 0.33 1.81 0.35 -1.79 0.00 0.00 174.94 175.43 1k5k n THR 40 N 4.34 3.93 -3.44 8.37 -2.24 -1.26 -4.93 114.28 119.05 1k5k n THR 40 Ca -0.14 -3.99 -0.44 0.00 -2.27 0.00 0.00 64.05 57.21 1k5k n THR 40 Cb 0.52 -2.43 -0.05 0.00 -2.10 0.00 0.00 70.33 66.26 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 3.10 3.07 0.00 -0.78 0.00 -1.26 -4.76 119.74 119.12 1k5k s LYS 41 Ca 0.49 -2.18 0.00 0.00 0.00 0.00 0.00 55.97 54.28 1k5k s LYS 41 Cb 0.06 -4.18 0.00 0.00 0.00 0.00 0.00 37.83 33.71 1k5k s LYS 41 CO 0.02 -1.26 0.00 0.41 0.00 0.00 0.00 175.35 174.52 1k5k n GLY 42 N 4.33 1.08 2.51 0.59 0.00 -1.26 -5.04 105.19 107.42 1k5k n GLY 42 Ca 0.03 -0.73 -0.40 0.00 0.00 0.00 0.00 46.02 44.91 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 7.94 0.00 0.99 4.77 -1.26 -4.65 117.00 124.79 1k5k n LEU 43 Ca 0.00 -4.59 0.00 0.00 -0.03 0.00 0.00 56.01 51.39 1k5k n LEU 43 Cb 0.00 -1.48 0.00 0.00 -2.33 0.00 0.00 43.42 39.61 1k5k n LEU 43 CO 0.00 1.85 0.04 0.61 -1.33 0.00 0.00 177.39 178.56 1k5k n GLY 44 N 2.78 -0.12 1.02 -0.72 0.00 -1.25 -4.98 105.19 101.93 1k5k n GLY 44 Ca 0.63 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.65 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 -0.19 0.00 -0.34 -0.61 5.41 -1.26 -4.45 119.36 117.91 1k5k n ILE 45 Ca 0.00 0.00 0.26 0.00 1.00 0.00 0.00 62.75 64.01 1k5k n ILE 45 Cb 0.00 -0.76 0.51 0.00 -0.71 0.00 0.00 39.64 38.68 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 0.46 -3.18 4.38 4.64 -1.92 -1.55 113.55 116.38 1k5k h SER 46 Ca 0.00 0.19 -0.57 0.00 -0.47 0.00 0.00 61.79 60.94 1k5k h SER 46 Cb 0.00 0.15 -0.06 0.00 -0.31 0.00 0.00 62.40 62.18 1k5k h SER 46 CO 0.00 -0.17 0.90 -0.31 -0.87 0.00 0.00 176.83 176.37 1k5k s TYR 47 N -5.60 2.95 -0.29 4.77 2.02 -1.26 -4.43 117.35 115.51 1k5k s TYR 47 Ca -0.10 1.07 -0.15 0.00 -0.37 0.00 0.00 57.07 57.52 1k5k s TYR 47 Cb 0.30 -3.72 0.13 0.00 -0.40 0.00 0.00 41.96 38.27 1k5k s TYR 47 CO 0.79 -1.22 0.86 0.20 -1.57 0.00 0.00 175.55 174.61 1k5k s GLY 48 N 2.08 -0.30 0.00 0.71 0.00 -1.24 -3.90 107.32 104.67 1k5k s GLY 48 Ca 0.51 2.83 0.00 0.00 0.00 0.00 0.00 44.72 48.06 1k5k s GLY 48 CO 0.18 2.73 0.15 -2.13 0.00 0.00 0.00 173.10 174.03 1k5k n ARG 49 N 4.34 0.00 -1.97 2.90 0.63 -1.26 -4.31 116.66 116.99 1k5k n ARG 49 Ca -0.16 0.02 -0.37 0.00 -0.92 0.00 0.00 57.85 56.42 1k5k n ARG 49 Cb 0.56 -0.67 0.01 0.00 0.45 0.00 0.00 32.46 32.81 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 -0.57 3.38 0.00 -0.14 4.81 -1.26 -4.87 118.16 119.51 1k5k n LYS 50 Ca 0.00 -3.48 0.00 0.00 -0.87 0.00 0.00 58.31 53.96 1k5k n LYS 50 Cb 0.00 -2.31 0.00 0.00 0.02 0.00 0.00 35.03 32.74 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 0.08 0.00 -2.56 1.64 5.02 -1.26 -5.16 118.16 115.91 1k5k n LYS 51 Ca 0.52 0.00 -0.02 0.00 -2.02 0.00 0.00 58.31 56.79 1k5k n LYS 51 Cb 0.31 0.00 -0.02 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 -3.69 -4.26 1.97 0.63 -0.58 -4.91 116.66 105.82 1k5k n ARG 52 Ca 0.00 2.90 -0.26 0.00 -0.92 0.00 0.00 57.85 59.56 1k5k n ARG 52 Cb 0.00 -4.91 -0.06 0.00 0.45 0.00 0.00 32.46 27.94 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 1.06 0.82 -3.34 -0.14 0.63 -1.26 -4.93 116.66 109.50 1k5k n ARG 53 Ca -0.18 -3.16 -0.09 0.00 -0.92 0.00 0.00 57.85 53.50 1k5k n ARG 53 Cb 0.27 1.14 -0.07 0.00 0.45 0.00 0.00 32.46 34.25 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 -3.52 0.37 -0.16 -0.14 0.74 -1.26 -4.47 119.66 111.22 1k5k s GLN 54 Ca 0.06 0.50 0.00 0.00 0.05 0.00 0.00 55.36 55.98 1k5k s GLN 54 Cb 0.00 -0.42 0.03 0.00 1.10 0.00 0.00 33.01 33.73 1k5k s GLN 54 CO 0.05 -0.69 -0.11 0.50 -0.55 0.00 0.00 175.29 174.49 1k5k s ARG 55 N 2.56 1.98 0.01 1.67 3.52 -1.26 -5.10 118.95 122.32 1k5k s ARG 55 Ca 0.13 -0.57 -0.08 0.00 -0.13 0.00 0.00 55.73 55.08 1k5k s ARG 55 Cb -0.15 -2.08 -0.05 0.00 -1.56 0.00 0.00 34.95 31.11 1k5k s ARG 55 CO -0.18 -0.32 0.30 0.50 -0.81 0.00 0.00 175.30 174.80 1k5k s ARG 56 N 1.52 3.64 0.07 5.12 3.52 -1.26 -4.55 118.95 127.02 1k5k s ARG 56 Ca 0.03 0.03 0.00 0.00 -0.13 0.00 0.00 55.73 55.66 1k5k s ARG 56 Cb -0.14 -3.09 0.00 0.00 -1.56 0.00 0.00 34.95 30.16 1k5k s ARG 56 CO -0.09 0.65 0.00 -2.13 -0.81 0.00 0.00 175.30 172.91 1k5k n ARG 57 N 1.23 0.00 -1.20 5.12 0.00 -1.26 -4.67 116.66 115.87 1k5k n ARG 57 Ca -0.12 0.00 -0.30 0.00 -0.00 0.00 0.00 57.85 57.43 1k5k n ARG 57 Cb 0.53 0.00 0.24 0.00 0.00 0.00 0.00 32.46 33.23 1k5k n ARG 57 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.63 176.38 1k5k s PRO 58 N -1.19 -1.25 0.14 -0.14 0.04 -1.26 -5.03 135.00 126.31 1k5k s PRO 58 Ca 0.00 -0.24 -0.26 0.00 0.04 0.00 0.00 61.00 60.54 1k5k s PRO 58 Cb 0.00 -1.61 -0.01 0.00 0.04 0.00 0.00 34.50 32.92 1k5k s PRO 58 CO 0.00 -3.70 1.60 -1.35 0.04 0.00 0.00 177.00 173.59 1k5k h PRO 59 N -2.57 -0.38 -2.70 0.56 0.11 -1.94 -3.41 132.00 121.67 1k5k h PRO 59 Ca -0.43 0.03 -0.11 0.00 0.11 0.00 0.00 66.00 65.60 1k5k h PRO 59 Cb 1.27 0.09 -0.22 0.00 0.11 0.00 0.00 31.00 32.25 1k5k h PRO 59 CO 0.30 -0.25 -0.18 -1.14 -0.21 0.00 0.00 178.00 176.51 1k5k s GLN 60 N -5.95 0.61 0.00 1.05 2.00 -1.23 -3.89 119.66 112.25 1k5k s GLN 60 Ca -0.15 0.37 0.00 0.00 -2.00 0.00 0.00 55.36 53.58 1k5k s GLN 60 Cb 0.11 0.29 0.00 0.00 0.80 0.00 0.00 33.01 34.20 1k5k s GLN 60 CO 0.66 -0.12 0.55 0.41 -0.50 0.00 0.00 175.29 176.29 1k5k n GLY 61 N 2.25 -2.44 0.23 2.59 0.00 -1.26 -2.63 105.19 103.93 1k5k n GLY 61 Ca -0.16 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.86 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 0.06 0.00 1.61 4.21 -1.96 -1.49 115.58 118.01 1k5k h ASN 62 Ca 0.00 0.10 0.00 0.00 1.21 0.00 0.00 56.30 57.61 1k5k h ASN 62 Cb 0.00 0.12 0.00 0.00 -1.12 0.00 0.00 38.32 37.32 1k5k h ASN 62 CO 0.00 0.05 0.00 1.67 -1.29 0.00 0.00 177.43 177.86 1k5k n GLN 63 N -5.09 0.74 0.02 0.81 7.27 -1.26 -0.86 117.38 119.01 1k5k n GLN 63 Ca 0.08 0.00 -0.21 0.00 0.07 0.00 0.00 57.00 56.94 1k5k n GLN 63 Cb 0.30 -1.42 -0.14 0.00 2.41 0.00 0.00 30.24 31.39 1k5k n GLN 63 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 1k5k h ALA 64 N 3.33 0.39 0.18 1.69 0.00 -1.04 -3.43 119.26 120.39 1k5k h ALA 64 Ca 0.00 -1.34 -0.34 0.00 0.00 0.00 0.00 54.91 53.23 1k5k h ALA 64 Cb 0.00 0.64 0.01 0.00 0.00 0.00 0.00 17.79 18.44 1k5k h ALA 64 CO 0.00 1.27 -1.65 0.45 0.00 0.00 0.00 179.25 179.32 1k5k h HIS 65 N 0.08 0.68 -2.78 0.00 3.86 -1.15 -3.38 115.15 112.46 1k5k h HIS 65 Ca -0.40 -0.50 -0.59 0.00 -1.16 0.00 0.00 60.37 57.73 1k5k h HIS 65 Cb 2.05 -0.03 -0.04 0.00 1.06 0.00 0.00 27.41 30.45 1k5k h HIS 65 CO 0.08 1.57 -0.50 -1.14 0.86 0.00 0.00 177.93 178.80 1k5k s GLN 66 N -2.59 3.33 -0.01 2.45 0.74 -0.04 -4.69 119.66 118.85 1k5k s GLN 66 Ca -0.13 -0.57 -0.00 0.00 0.05 0.00 0.00 55.36 54.71 1k5k s GLN 66 Cb 0.06 -2.94 -0.00 0.00 1.10 0.00 0.00 33.01 31.22 1k5k s GLN 66 CO 0.87 0.56 -0.01 -0.44 -0.55 0.00 0.00 175.29 175.72 1k5k h ASP 67 N 2.68 0.00 0.00 6.67 5.19 -1.86 -3.44 116.42 125.65 1k5k h ASP 67 Ca -0.47 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 55.94 1k5k h ASP 67 Cb 1.18 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.69 1k5k h ASP 67 CO 0.71 0.04 0.00 -0.81 -3.12 0.00 0.00 179.24 176.06 1k5k n PRO 68 N -2.30 0.00 0.01 3.56 -0.04 -1.26 -4.41 135.00 130.55 1k5k n PRO 68 Ca -0.00 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.46 1k5k n PRO 68 Cb 0.01 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.47 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 -0.10 -4.93 1.53 4.77 -1.26 -4.51 117.00 112.50 1k5k n LEU 69 Ca 0.00 0.03 -0.25 0.00 -0.03 0.00 0.00 56.01 55.76 1k5k n LEU 69 Cb 0.00 0.39 -0.00 0.00 -2.33 0.00 0.00 43.42 41.48 1k5k n LEU 69 CO 0.00 -0.28 0.32 -2.16 -1.33 0.00 0.00 177.39 173.94 1k5k s PRO 70 N -2.00 3.39 -0.33 3.23 0.04 -1.26 -4.61 135.00 133.46 1k5k s PRO 70 Ca 0.00 -0.13 -0.07 0.00 0.04 0.00 0.00 61.00 60.84 1k5k s PRO 70 Cb 0.00 -2.50 -0.21 0.00 0.04 0.00 0.00 34.50 31.83 1k5k s PRO 70 CO 0.00 -0.13 3.44 -0.85 0.04 0.00 0.00 177.00 179.50 1k5k n GLU 71 N -2.08 2.36 -3.62 4.56 0.00 -1.26 -4.26 120.64 116.33 1k5k n GLU 71 Ca -0.01 -1.34 -0.27 0.00 0.00 0.00 0.00 57.16 55.54 1k5k n GLU 71 Cb 0.56 -2.16 -0.11 0.00 0.00 0.00 0.00 31.44 29.74 1k5k n GLU 71 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.13 178.17 1k5k n GLN 72 N 2.56 1.02 -2.23 3.44 6.02 -1.26 -5.03 117.38 121.89 1k5k n GLN 72 Ca 0.50 -3.82 -0.41 0.00 -0.01 0.00 0.00 57.00 53.26 1k5k n GLN 72 Cb 0.77 -1.96 -0.01 0.00 1.02 0.00 0.00 30.24 30.05 1k5k n GLN 72 CO 0.00 0.00 0.00 -0.35 -1.01 0.00 0.00 177.06 175.70 1k5k n PRO 73 N 2.35 2.78 0.00 -1.09 -0.04 -1.26 -3.83 135.00 133.91 1k5k n PRO 73 Ca 0.25 -2.92 0.00 0.00 -0.04 0.00 0.00 63.50 60.79 1k5k n PRO 73 Cb 0.42 -3.45 0.00 0.00 -0.04 0.00 0.00 33.50 30.43 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 8.73 0.00 -4.57 3.54 2.88 -1.26 -4.73 113.62 118.21 1k5k n SER 74 Ca 0.49 0.00 -0.26 0.00 -1.33 0.00 0.00 58.87 57.77 1k5k n SER 74 Cb 0.44 0.00 -0.09 0.00 -0.75 0.00 0.00 64.21 63.81 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 1.00 4.23 -0.36 -3.46 1.04 -1.26 -1.50 113.70 113.38 1k5k s SER 75 Ca 0.00 -0.65 -0.10 0.00 0.48 0.00 0.00 55.95 55.69 1k5k s SER 75 Cb 0.00 -0.69 0.01 0.00 0.10 0.00 0.00 66.02 65.44 1k5k s SER 75 CO 0.00 0.07 0.36 1.67 0.98 0.00 0.00 173.24 176.32 1k5k n GLN 76 N -0.23 -2.64 -3.43 4.02 7.27 -1.26 -4.42 117.38 116.68 1k5k n GLN 76 Ca -0.09 2.27 -0.17 0.00 0.07 0.00 0.00 57.00 59.08 1k5k n GLN 76 Cb 0.57 -5.34 0.08 0.00 2.41 0.00 0.00 30.24 27.96 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 0.05 -2.20 0.00 3.69 -0.00 -1.26 -4.95 115.22 110.54 1k5k n HIS 77 Ca 0.07 0.91 0.00 0.00 -0.00 0.00 0.00 57.72 58.71 1k5k n HIS 77 Cb 0.27 -4.87 0.00 0.00 -0.00 0.00 0.00 29.99 25.39 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 -4.01 0.00 -2.65 1.57 5.12 -1.26 -4.80 116.66 110.62 1k5k n ARG 78 Ca -0.26 0.00 -0.10 0.00 -1.93 0.00 0.00 57.85 55.56 1k5k n ARG 78 Cb 0.66 0.00 0.03 0.00 -1.16 0.00 0.00 32.46 31.99 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 0.53 1.85 0.42 -0.13 0.00 -0.56 -4.09 105.19 103.21 1k5k n GLY 79 Ca 0.00 -1.40 0.36 0.00 0.00 0.00 0.00 46.02 44.99 1k5k n GLY 79 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1k5k n ASP 80 N -0.10 0.21 0.00 1.61 5.75 -1.26 -4.26 116.55 118.50 1k5k n ASP 80 Ca 0.11 1.30 0.00 0.00 -0.01 0.00 0.00 54.79 56.19 1k5k n ASP 80 Cb 0.81 -0.64 0.00 0.00 -1.03 0.00 0.00 41.12 40.26 1k5k n ASP 80 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1k5k n HIS 81 N -4.60 0.00 -1.75 2.11 1.44 -1.26 -4.99 115.22 106.17 1k5k n HIS 81 Ca 0.37 0.00 -0.00 0.00 -2.01 0.00 0.00 57.72 56.07 1k5k n HIS 81 Cb 1.42 0.00 0.00 0.00 0.12 0.00 0.00 29.99 31.53 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 -0.81 0.36 -2.76 -1.40 -0.05 -1.26 -2.94 135.00 126.15 1k5k n PRO 82 Ca 0.00 -0.04 -0.43 0.00 -0.05 0.00 0.00 63.50 62.98 1k5k n PRO 82 Cb 0.00 -0.02 -0.02 0.00 -0.05 0.00 0.00 33.50 33.42 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 -0.31 4.41 0.00 0.52 2.01 -1.26 -4.87 115.64 116.15 1k5k s THR 83 Ca 0.01 -1.50 0.00 0.00 0.31 0.00 0.00 61.69 60.51 1k5k s THR 83 Cb -0.00 -4.95 0.00 0.00 0.01 0.00 0.00 72.50 67.56 1k5k s THR 83 CO 0.01 -1.74 0.00 0.61 -0.69 0.00 0.00 174.62 172.80 1k5k n GLY 84 N 5.75 -0.91 0.07 4.40 0.00 -1.26 -4.99 105.19 108.25 1k5k n GLY 84 Ca 0.32 0.80 -0.08 0.00 0.00 0.00 0.00 46.02 47.07 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 0.01 -2.05 1.61 0.13 -1.86 -3.43 132.00 126.43 1k5k h PRO 85 Ca 0.00 -0.02 -0.39 0.00 -0.87 0.00 0.00 66.00 64.72 1k5k h PRO 85 Cb 0.00 0.01 -0.32 0.00 0.13 0.00 0.00 31.00 30.82 1k5k h PRO 85 CO 0.00 0.86 -0.70 0.21 -0.23 0.00 0.00 178.00 178.14 1k5k s LYS 86 N -2.67 0.59 0.00 0.86 2.20 -1.26 -4.07 119.74 115.38 1k5k s LYS 86 Ca -0.01 -0.82 0.00 0.00 -0.36 0.00 0.00 55.97 54.78 1k5k s LYS 86 Cb 0.09 -0.78 0.00 0.00 -1.51 0.00 0.00 37.83 35.63 1k5k s LYS 86 CO 0.82 -1.18 0.00 -1.91 -0.36 0.00 0.00 175.35 172.73