#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 0.35 0.42 7.83 1.82 -1.94 -3.35 116.42 121.56 1k5k h ASP 2 Ca 0.00 -0.01 0.00 0.00 -0.39 0.00 0.00 57.03 56.63 1k5k h ASP 2 Cb 0.00 -0.08 0.00 0.00 0.68 0.00 0.00 39.33 39.93 1k5k h ASP 2 CO 0.00 0.25 0.00 -0.81 -1.61 0.00 0.00 179.24 177.07 1k5k n PRO 3 N -4.48 0.04 0.00 0.28 -0.04 -1.26 -4.62 135.00 124.92 1k5k n PRO 3 Ca 0.03 0.24 0.00 0.00 -0.04 0.00 0.00 63.50 63.73 1k5k n PRO 3 Cb 0.13 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.09 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 -1.45 0.00 0.00 0.52 0.31 -1.26 -5.07 118.33 111.38 1k5k n VAL 4 Ca 0.04 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.37 1k5k n VAL 4 Cb 0.15 -0.21 0.00 0.00 -0.91 0.00 0.00 33.84 32.87 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 -4.52 4.52 5.75 -1.26 -5.04 116.55 115.99 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 -0.12 0.00 -1.03 0.00 0.00 41.12 39.97 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 -1.03 3.64 0.00 0.11 0.04 -1.26 -4.51 135.00 131.98 1k5k s PRO 6 Ca 0.00 -0.50 0.00 0.00 0.04 0.00 0.00 61.00 60.54 1k5k s PRO 6 Cb 0.00 -2.92 0.00 0.00 0.04 0.00 0.00 34.50 31.62 1k5k s PRO 6 CO 0.00 0.28 0.00 0.09 0.04 0.00 0.00 177.00 177.41 1k5k n ASN 7 N 3.42 0.00 -3.60 6.66 3.02 -1.26 -4.30 115.26 119.20 1k5k n ASN 7 Ca -0.17 0.00 -0.25 0.00 -0.03 0.00 0.00 54.58 54.12 1k5k n ASN 7 Cb 0.52 0.00 -0.17 0.00 -0.61 0.00 0.00 39.78 39.53 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 0.00 0.29 0.13 3.41 1.43 -1.26 -4.71 118.68 117.98 1k5k s LEU 8 Ca 0.00 -0.58 0.04 0.00 -1.03 0.00 0.00 54.13 52.56 1k5k s LEU 8 Cb 0.00 -0.17 -0.04 0.00 0.03 0.00 0.00 46.19 46.01 1k5k s LEU 8 CO 0.00 -0.35 0.14 -0.70 0.23 0.00 0.00 176.35 175.67 1k5k s GLU 9 N 2.16 2.99 0.41 1.70 2.12 -1.26 -5.06 118.70 121.77 1k5k s GLU 9 Ca 0.03 -0.76 0.26 0.00 0.36 0.00 0.00 54.97 54.86 1k5k s GLU 9 Cb -0.16 -2.73 1.35 0.00 0.26 0.00 0.00 34.13 32.85 1k5k s GLU 9 CO -0.10 0.52 1.63 -1.35 -0.54 0.00 0.00 175.26 175.42 1k5k h PRO 10 N 2.66 0.12 -2.47 4.30 0.11 -1.97 -3.28 132.00 131.46 1k5k h PRO 10 Ca -0.47 -0.01 -0.20 0.00 0.11 0.00 0.00 66.00 65.43 1k5k h PRO 10 Cb 1.19 -0.03 -0.32 0.00 0.11 0.00 0.00 31.00 31.95 1k5k h PRO 10 CO 0.65 0.08 -0.51 -0.46 -0.21 0.00 0.00 178.00 177.55 1k5k s TRP 11 N -5.39 -0.56 -0.30 0.65 -0.00 -1.26 -4.63 118.94 107.45 1k5k s TRP 11 Ca -0.08 0.85 0.06 0.00 -0.00 0.00 0.00 56.10 56.93 1k5k s TRP 11 Cb 0.30 -0.04 0.20 0.00 -0.00 0.00 0.00 33.47 33.93 1k5k s TRP 11 CO 0.81 -0.53 0.60 1.21 -0.00 0.00 0.00 176.95 179.04 1k5k s ASN 12 N 2.46 -1.63 -0.34 5.86 2.47 -1.24 -4.96 114.94 117.57 1k5k s ASN 12 Ca 0.05 0.10 -0.03 0.00 0.42 0.00 0.00 52.86 53.40 1k5k s ASN 12 Cb -0.14 2.03 0.06 0.00 -1.45 0.00 0.00 41.25 41.76 1k5k s ASN 12 CO -0.12 -0.29 0.08 -2.28 -3.72 0.00 0.00 177.10 170.77 1k5k s HIS 13 N 2.74 3.35 0.07 0.43 5.65 -1.26 -4.74 115.29 121.53 1k5k s HIS 13 Ca 0.11 -1.93 -0.22 0.00 0.25 0.00 0.00 55.06 53.26 1k5k s HIS 13 Cb -0.09 -2.45 -0.13 0.00 -1.18 0.00 0.00 32.58 28.73 1k5k s HIS 13 CO -0.24 -0.84 1.58 -1.35 -0.65 0.00 0.00 174.74 173.24 1k5k h PRO 14 N 8.05 0.17 0.00 2.88 0.11 -1.88 -3.48 132.00 137.85 1k5k h PRO 14 Ca -0.19 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.88 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 0.59 0.31 0.00 0.41 -0.21 0.00 0.00 178.00 179.10 1k5k n GLY 15 N -0.59 3.12 0.00 -0.55 0.00 -1.25 -4.25 105.19 101.67 1k5k n GLY 15 Ca -0.06 -0.15 0.00 0.00 0.00 0.00 0.00 46.02 45.81 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 -4.40 1.61 3.41 -0.10 -3.98 113.62 110.16 1k5k n SER 16 Ca 0.00 0.00 -0.25 0.00 -0.26 0.00 0.00 58.87 58.36 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 1.45 -0.35 4.33 -1.52 -1.25 -3.33 119.66 120.22 1k5k s GLN 17 Ca 0.00 -1.51 -0.26 0.00 -1.95 0.00 0.00 55.36 51.64 1k5k s GLN 17 Cb 0.00 -1.67 0.01 0.00 -0.22 0.00 0.00 33.01 31.13 1k5k s GLN 17 CO 0.00 0.35 0.93 -1.25 -0.25 0.00 0.00 175.29 175.08 1k5k s PRO 18 N -2.78 3.91 -0.55 2.91 0.04 -1.26 -4.39 135.00 132.89 1k5k s PRO 18 Ca 0.20 0.69 -0.06 0.00 0.04 0.00 0.00 61.00 61.87 1k5k s PRO 18 Cb -0.07 -3.77 0.01 0.00 0.04 0.00 0.00 34.50 30.70 1k5k s PRO 18 CO 0.09 -0.89 0.12 -2.13 0.04 0.00 0.00 177.00 174.23 1k5k n ARG 19 N 6.69 -0.86 -0.09 4.56 0.63 -1.26 -4.91 116.66 121.42 1k5k n ARG 19 Ca 0.08 -0.11 -0.14 0.00 -0.92 0.00 0.00 57.85 56.75 1k5k n ARG 19 Cb 0.48 -0.96 -0.06 0.00 0.45 0.00 0.00 32.46 32.37 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 -2.49 1.48 0.09 5.15 -1.04 -1.21 -3.35 114.28 112.92 1k5k n THR 20 Ca -0.09 0.04 -0.06 0.00 -2.04 0.00 0.00 64.05 61.90 1k5k n THR 20 Cb 0.25 -2.21 -0.03 0.00 -1.82 0.00 0.00 70.33 66.53 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 0.06 -0.02 -2.82 0.13 -1.80 -3.38 132.00 123.16 1k5k h PRO 21 Ca -0.21 -0.07 -0.20 0.00 -0.87 0.00 0.00 66.00 64.65 1k5k h PRO 21 Cb 1.00 0.02 -0.00 0.00 0.13 0.00 0.00 31.00 32.15 1k5k h PRO 21 CO -0.13 0.91 -0.85 0.00 -0.23 0.00 0.00 178.00 177.70 1k5k n ASN 23 N -3.75 -3.48 -2.30 0.00 3.02 -1.26 -4.18 115.26 103.32 1k5k n ASN 23 Ca -0.05 0.14 -0.32 0.00 -0.03 0.00 0.00 54.58 54.33 1k5k n ASN 23 Cb 0.78 -0.40 0.05 0.00 -0.61 0.00 0.00 39.78 39.61 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 -1.36 3.03 -3.64 3.52 4.81 -1.26 -5.01 118.16 118.25 1k5k n LYS 24 Ca 0.00 -3.66 -0.05 0.00 -0.87 0.00 0.00 58.31 53.73 1k5k n LYS 24 Cb 0.06 -2.28 -0.06 0.00 0.02 0.00 0.00 35.03 32.76 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 -0.19 3.27 0.00 0.00 2.02 -1.26 -4.50 117.35 116.69 1k5k s TYR 26 Ca 0.06 1.59 0.00 0.00 -0.37 0.00 0.00 57.07 58.35 1k5k s TYR 26 Cb -0.04 -3.39 0.00 0.00 -0.40 0.00 0.00 41.96 38.13 1k5k s TYR 26 CO -0.11 -1.09 0.00 0.00 -1.57 0.00 0.00 175.55 172.78 1k5k n LYS 28 N 0.00 -2.11 -1.63 0.00 0.00 -1.26 -2.66 118.16 110.50 1k5k n LYS 28 Ca 0.00 1.92 -0.41 0.00 0.00 0.00 0.00 58.31 59.82 1k5k n LYS 28 Cb 0.00 -3.49 0.01 0.00 0.00 0.00 0.00 35.03 31.56 1k5k n LYS 28 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.40 178.57 1k5k n LYS 29 N 0.96 1.47 0.01 1.64 0.00 -1.26 -3.90 118.16 117.08 1k5k n LYS 29 Ca 0.00 0.53 0.00 0.00 0.00 0.00 0.00 58.31 58.84 1k5k n LYS 29 Cb 0.22 -2.13 0.00 0.00 0.00 0.00 0.00 35.03 33.12 1k5k n LYS 29 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1k5k s TYR 32 N -2.96 2.70 -0.04 0.00 5.04 -1.26 -4.95 117.35 115.88 1k5k s TYR 32 Ca 0.00 0.82 -0.01 0.00 -2.44 0.00 0.00 57.07 55.44 1k5k s TYR 32 Cb 0.00 -3.61 0.03 0.00 0.35 0.00 0.00 41.96 38.73 1k5k s TYR 32 CO 0.00 -2.26 0.08 -1.58 -1.34 0.00 0.00 175.55 170.45 1k5k s HIS 33 N 3.24 -0.04 -0.19 4.97 2.46 -1.26 -4.53 115.29 119.94 1k5k s HIS 33 Ca 0.61 0.30 -0.28 0.00 0.47 0.00 0.00 55.06 56.16 1k5k s HIS 33 Cb -0.26 -0.25 -0.00 0.00 -0.13 0.00 0.00 32.58 31.93 1k5k s HIS 33 CO 0.21 -0.15 0.96 0.00 -2.47 0.00 0.00 174.74 173.29 1k5k n GLN 35 N 5.76 0.00 -1.53 0.00 -0.06 -1.26 -4.25 117.38 116.04 1k5k n GLN 35 Ca 0.09 0.00 -0.39 0.00 -2.00 0.00 0.00 57.00 54.70 1k5k n GLN 35 Cb 0.47 0.00 -0.06 0.00 -4.06 0.00 0.00 30.24 26.60 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 0.90 0.00 3.69 0.00 -1.03 -4.94 117.12 115.73 1k5k n MET 36 Ca 0.00 0.05 0.00 0.00 0.00 0.00 0.00 57.70 57.75 1k5k n MET 36 Cb 0.00 -2.97 0.00 0.00 0.00 0.00 0.00 33.22 30.25 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 -1.75 -1.65 -0.23 0.00 0.08 -1.26 -4.90 117.98 108.26 1k5k s PHE 38 Ca 0.00 0.14 -0.23 0.00 0.12 0.00 0.00 56.93 56.96 1k5k s PHE 38 Cb 0.00 0.31 -0.01 0.00 -0.57 0.00 0.00 43.02 42.75 1k5k s PHE 38 CO 0.00 -1.14 0.76 0.96 -0.10 0.00 0.00 175.22 175.69 1k5k s ILE 39 N 1.72 4.90 -1.24 0.64 -5.25 -1.26 -5.01 121.20 115.70 1k5k s ILE 39 Ca 0.18 1.42 -0.11 0.00 -0.99 0.00 0.00 60.65 61.15 1k5k s ILE 39 Cb -0.03 -4.05 0.18 0.00 2.95 0.00 0.00 42.46 41.50 1k5k s ILE 39 CO -0.07 -0.02 1.66 0.35 -1.79 0.00 0.00 174.94 175.07 1k5k n THR 40 N 5.14 4.34 -2.92 8.37 -2.24 -1.26 -4.92 114.28 120.81 1k5k n THR 40 Ca 0.03 -4.61 -0.44 0.00 -2.27 0.00 0.00 64.05 56.77 1k5k n THR 40 Cb 0.48 -2.40 -0.00 0.00 -2.10 0.00 0.00 70.33 66.31 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 0.76 4.01 0.00 -0.78 0.00 -1.26 -4.78 119.74 117.68 1k5k s LYS 41 Ca 0.41 -2.41 0.00 0.00 0.00 0.00 0.00 55.97 53.96 1k5k s LYS 41 Cb 0.04 -5.08 0.00 0.00 0.00 0.00 0.00 37.83 32.79 1k5k s LYS 41 CO 0.01 -1.81 0.00 0.41 0.00 0.00 0.00 175.35 173.96 1k5k n GLY 42 N 4.42 2.75 2.97 0.59 0.00 -1.26 -5.08 105.19 109.58 1k5k n GLY 42 Ca 0.36 -0.70 -0.43 0.00 0.00 0.00 0.00 46.02 45.24 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 6.49 0.00 0.99 4.77 -1.26 -4.62 117.00 123.36 1k5k n LEU 43 Ca 0.00 -5.12 0.00 0.00 -0.03 0.00 0.00 56.01 50.86 1k5k n LEU 43 Cb 0.00 -1.31 0.00 0.00 -2.33 0.00 0.00 43.42 39.78 1k5k n LEU 43 CO 0.00 1.65 0.00 0.61 -1.33 0.00 0.00 177.39 178.32 1k5k n GLY 44 N 1.55 1.68 1.44 -0.72 0.00 -1.22 -4.97 105.19 102.95 1k5k n GLY 44 Ca 0.28 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.30 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 -0.23 0.56 -0.16 -0.61 5.41 -1.26 -4.47 119.36 118.60 1k5k n ILE 45 Ca 0.00 0.18 -0.04 0.00 1.00 0.00 0.00 62.75 63.89 1k5k n ILE 45 Cb 0.00 -1.01 0.02 0.00 -0.71 0.00 0.00 39.64 37.95 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 -0.73 -2.62 4.38 4.64 -1.93 -0.63 113.55 116.66 1k5k h SER 46 Ca 0.00 0.18 -0.56 0.00 -0.47 0.00 0.00 61.79 60.93 1k5k h SER 46 Cb 0.00 0.40 -0.02 0.00 -0.31 0.00 0.00 62.40 62.48 1k5k h SER 46 CO 0.00 -0.24 1.16 -0.31 -0.87 0.00 0.00 176.83 176.58 1k5k s TYR 47 N -6.14 1.91 -0.30 4.77 2.02 -1.26 -4.27 117.35 114.08 1k5k s TYR 47 Ca -0.14 0.39 -0.17 0.00 -0.37 0.00 0.00 57.07 56.78 1k5k s TYR 47 Cb 0.16 -3.99 0.18 0.00 -0.40 0.00 0.00 41.96 37.91 1k5k s TYR 47 CO 0.71 -3.47 1.12 0.20 -1.57 0.00 0.00 175.55 172.54 1k5k s GLY 48 N 4.47 -0.02 0.00 0.71 0.00 -1.25 -3.43 107.32 107.80 1k5k s GLY 48 Ca 0.76 3.26 0.00 0.00 0.00 0.00 0.00 44.72 48.74 1k5k s GLY 48 CO 0.31 3.39 0.80 -2.13 0.00 0.00 0.00 173.10 175.46 1k5k n ARG 49 N 4.89 0.00 -2.49 2.90 0.63 -1.26 -4.06 116.66 117.27 1k5k n ARG 49 Ca -0.08 0.45 -0.37 0.00 -0.92 0.00 0.00 57.85 56.93 1k5k n ARG 49 Cb 0.54 -1.37 0.01 0.00 0.45 0.00 0.00 32.46 32.09 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 -1.84 4.13 0.00 -0.14 4.81 -1.26 -4.92 118.16 118.94 1k5k n LYS 50 Ca 0.00 -4.39 0.00 0.00 -0.87 0.00 0.00 58.31 53.05 1k5k n LYS 50 Cb 0.00 -2.35 0.00 0.00 0.02 0.00 0.00 35.03 32.70 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 -0.26 0.00 -1.82 1.64 5.02 -1.26 -5.16 118.16 116.32 1k5k n LYS 51 Ca 0.45 0.00 -0.01 0.00 -2.02 0.00 0.00 58.31 56.73 1k5k n LYS 51 Cb 0.32 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.33 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 -0.78 -0.51 1.97 0.63 -0.24 -4.98 116.66 112.75 1k5k n ARG 52 Ca 0.00 1.01 0.00 0.00 -0.92 0.00 0.00 57.85 57.94 1k5k n ARG 52 Cb 0.00 -2.30 0.00 0.00 0.45 0.00 0.00 32.46 30.61 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 -0.08 2.44 -3.15 -0.14 0.63 -1.26 -4.95 116.66 110.15 1k5k n ARG 53 Ca 0.01 0.00 0.05 0.00 -0.92 0.00 0.00 57.85 56.99 1k5k n ARG 53 Cb 0.05 0.00 -0.01 0.00 0.45 0.00 0.00 32.46 32.95 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 0.23 0.35 -0.17 -0.14 0.74 -1.26 -4.54 119.66 114.87 1k5k s GLN 54 Ca 0.00 0.50 -0.01 0.00 0.05 0.00 0.00 55.36 55.90 1k5k s GLN 54 Cb 0.00 0.27 -0.01 0.00 1.10 0.00 0.00 33.01 34.37 1k5k s GLN 54 CO 0.00 -0.48 -0.12 0.50 -0.55 0.00 0.00 175.29 174.64 1k5k s ARG 55 N 2.91 3.30 -0.22 1.67 3.52 -1.26 -5.10 118.95 123.77 1k5k s ARG 55 Ca 0.13 -0.70 -0.09 0.00 -0.13 0.00 0.00 55.73 54.94 1k5k s ARG 55 Cb -0.10 -2.73 -0.04 0.00 -1.56 0.00 0.00 34.95 30.52 1k5k s ARG 55 CO -0.19 0.01 0.12 0.50 -0.81 0.00 0.00 175.30 174.93 1k5k s ARG 56 N 0.88 4.00 0.00 5.12 3.52 -1.26 -4.55 118.95 126.65 1k5k s ARG 56 Ca -0.03 -0.31 0.00 0.00 -0.13 0.00 0.00 55.73 55.25 1k5k s ARG 56 Cb -0.15 -3.42 0.00 0.00 -1.56 0.00 0.00 34.95 29.82 1k5k s ARG 56 CO -0.00 0.09 0.00 -2.13 -0.81 0.00 0.00 175.30 172.45 1k5k n ARG 57 N 4.15 0.00 -0.81 5.12 0.00 -1.26 -4.80 116.66 119.05 1k5k n ARG 57 Ca -0.16 0.00 -0.27 0.00 -0.00 0.00 0.00 57.85 57.43 1k5k n ARG 57 Cb 0.52 0.00 0.23 0.00 0.00 0.00 0.00 32.46 33.21 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 -2.45 -3.16 0.06 -0.14 -0.04 -1.26 -5.03 135.00 122.98 1k5k n PRO 58 Ca 0.00 -1.51 -0.10 0.00 -0.04 0.00 0.00 63.50 61.85 1k5k n PRO 58 Cb 0.00 -1.48 -0.06 0.00 -0.04 0.00 0.00 33.50 31.91 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 -0.43 -3.97 0.54 0.11 -1.92 -3.41 132.00 122.92 1k5k h PRO 59 Ca -0.36 0.03 -0.10 0.00 0.11 0.00 0.00 66.00 65.68 1k5k h PRO 59 Cb 1.12 0.10 -0.14 0.00 0.11 0.00 0.00 31.00 32.19 1k5k h PRO 59 CO 0.23 -0.28 -0.48 -1.14 -0.21 0.00 0.00 178.00 176.12 1k5k s GLN 60 N -4.67 0.76 0.00 1.05 2.00 -1.21 -3.49 119.66 114.09 1k5k s GLN 60 Ca -0.10 -1.06 0.00 0.00 -2.00 0.00 0.00 55.36 52.21 1k5k s GLN 60 Cb 0.04 0.29 0.00 0.00 0.80 0.00 0.00 33.01 34.14 1k5k s GLN 60 CO 0.37 -0.21 0.22 0.41 -0.50 0.00 0.00 175.29 175.58 1k5k n GLY 61 N 0.00 -1.03 0.43 2.59 0.00 -1.26 -3.86 105.19 102.06 1k5k n GLY 61 Ca -0.15 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.75 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 -1.58 0.01 1.61 4.21 -1.96 -0.91 115.58 116.96 1k5k h ASN 62 Ca 0.00 0.22 0.00 0.00 1.21 0.00 0.00 56.30 57.73 1k5k h ASN 62 Cb 0.00 0.66 0.00 0.00 -1.12 0.00 0.00 38.32 37.86 1k5k h ASN 62 CO 0.00 -0.41 0.00 1.67 -1.29 0.00 0.00 177.43 177.40 1k5k n GLN 63 N -5.41 0.01 0.00 0.81 7.27 -1.26 -0.49 117.38 118.30 1k5k n GLN 63 Ca -0.03 0.23 -0.18 0.00 0.07 0.00 0.00 57.00 57.09 1k5k n GLN 63 Cb 0.36 -1.50 -0.14 0.00 2.41 0.00 0.00 30.24 31.37 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 -1.23 1.02 -0.06 1.69 0.00 -0.43 -4.51 120.51 116.98 1k5k n ALA 64 Ca 0.00 -0.62 -0.06 0.00 0.00 0.00 0.00 53.44 52.77 1k5k n ALA 64 Cb 0.00 -0.73 -0.03 0.00 0.00 0.00 0.00 19.45 18.69 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 0.06 0.00 -4.16 0.00 3.86 -0.47 -3.39 115.15 111.05 1k5k h HIS 65 Ca -0.39 0.00 -0.51 0.00 -1.16 0.00 0.00 60.37 58.31 1k5k h HIS 65 Cb 2.03 0.00 0.05 0.00 1.06 0.00 0.00 27.41 30.56 1k5k h HIS 65 CO 0.06 0.28 0.34 -1.14 0.86 0.00 0.00 177.93 178.33 1k5k s GLN 66 N -1.94 3.58 -0.19 2.45 0.74 0.35 -4.69 119.66 119.96 1k5k s GLN 66 Ca -0.10 0.61 -0.16 0.00 0.05 0.00 0.00 55.36 55.76 1k5k s GLN 66 Cb 0.01 -2.15 -0.07 0.00 1.10 0.00 0.00 33.01 31.90 1k5k s GLN 66 CO 0.22 -0.48 -0.29 -0.25 -0.55 0.00 0.00 175.29 173.94 1k5k n ASP 67 N -2.63 1.91 0.00 6.67 9.92 -1.26 -4.80 116.55 126.36 1k5k n ASP 67 Ca 0.05 0.40 0.00 0.00 -0.53 0.00 0.00 54.79 54.71 1k5k n ASP 67 Cb 0.54 -0.79 0.00 0.00 -0.64 0.00 0.00 41.12 40.23 1k5k n ASP 67 CO 0.00 0.00 0.00 -0.81 0.13 0.00 0.00 177.20 176.52 1k5k n PRO 68 N -4.46 0.00 0.00 -0.24 -0.04 -1.26 -4.56 135.00 124.44 1k5k n PRO 68 Ca -0.19 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.27 1k5k n PRO 68 Cb 0.53 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.99 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 -4.84 1.53 4.77 -1.26 -4.68 117.00 112.52 1k5k n LEU 69 Ca 0.00 0.00 -0.33 0.00 -0.03 0.00 0.00 56.01 55.65 1k5k n LEU 69 Cb 0.00 0.38 -0.06 0.00 -2.33 0.00 0.00 43.42 41.40 1k5k n LEU 69 CO 0.00 -0.50 0.49 -2.16 -1.33 0.00 0.00 177.39 173.89 1k5k s PRO 70 N -1.99 4.11 -0.65 3.23 0.04 -1.26 -4.59 135.00 133.88 1k5k s PRO 70 Ca 0.00 0.83 -0.24 0.00 0.04 0.00 0.00 61.00 61.64 1k5k s PRO 70 Cb 0.00 -2.41 -0.19 0.00 0.04 0.00 0.00 34.50 31.94 1k5k s PRO 70 CO 0.00 0.13 1.87 -0.85 0.04 0.00 0.00 177.00 178.19 1k5k n GLU 71 N -0.33 1.24 -3.45 4.56 0.00 -1.26 -4.39 120.64 117.01 1k5k n GLU 71 Ca 0.04 -1.72 -0.26 0.00 0.00 0.00 0.00 57.16 55.22 1k5k n GLU 71 Cb 0.53 -2.88 -0.12 0.00 0.00 0.00 0.00 31.44 28.97 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 5.41 0.46 -0.66 3.44 -0.21 -1.26 -5.03 119.66 121.82 1k5k s GLN 72 Ca 0.60 -0.97 -0.26 0.00 0.02 0.00 0.00 55.36 54.75 1k5k s GLN 72 Cb 0.14 -1.11 0.04 0.00 1.00 0.00 0.00 33.01 33.08 1k5k s GLN 72 CO 0.16 -1.15 1.16 -1.25 -2.12 0.00 0.00 175.29 172.09 1k5k s PRO 73 N 1.47 3.28 0.00 2.91 0.04 -1.26 -3.25 135.00 138.19 1k5k s PRO 73 Ca 0.15 -0.22 0.00 0.00 0.04 0.00 0.00 61.00 60.97 1k5k s PRO 73 Cb -0.19 -4.13 0.00 0.00 0.04 0.00 0.00 34.50 30.22 1k5k s PRO 73 CO -0.11 -1.88 0.00 0.45 0.04 0.00 0.00 177.00 175.50 1k5k n SER 74 N 8.60 0.00 -4.02 6.66 2.88 -1.26 -4.77 113.62 121.70 1k5k n SER 74 Ca 0.03 0.00 -0.08 0.00 -1.33 0.00 0.00 58.87 57.49 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 1.56 0.34 -0.28 -3.46 1.04 -1.26 -2.44 113.70 109.20 1k5k s SER 75 Ca 0.00 -0.71 -0.08 0.00 0.48 0.00 0.00 55.95 55.64 1k5k s SER 75 Cb 0.00 0.16 0.01 0.00 0.10 0.00 0.00 66.02 66.29 1k5k s SER 75 CO 0.00 -0.45 0.36 1.67 0.98 0.00 0.00 173.24 175.79 1k5k n GLN 76 N 0.87 -1.29 -3.34 4.02 7.27 -1.26 -4.58 117.38 119.07 1k5k n GLN 76 Ca -0.19 1.39 -0.16 0.00 0.07 0.00 0.00 57.00 58.11 1k5k n GLN 76 Cb 0.58 -3.94 0.08 0.00 2.41 0.00 0.00 30.24 29.38 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 -0.54 -2.07 0.00 3.69 -0.00 -1.26 -4.98 115.22 110.06 1k5k n HIS 77 Ca 0.06 0.88 0.00 0.00 -0.00 0.00 0.00 57.72 58.66 1k5k n HIS 77 Cb 0.30 -4.89 0.00 0.00 -0.00 0.00 0.00 29.99 25.40 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 -3.93 0.00 -3.30 1.57 5.12 -1.26 -4.79 116.66 110.08 1k5k n ARG 78 Ca -0.27 0.00 -0.25 0.00 -1.93 0.00 0.00 57.85 55.40 1k5k n ARG 78 Cb 0.66 0.00 -0.07 0.00 -1.16 0.00 0.00 32.46 31.89 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 0.34 3.99 0.30 -0.13 0.00 -1.02 -4.17 105.19 104.49 1k5k n GLY 79 Ca 0.00 -2.23 0.01 0.00 0.00 0.00 0.00 46.02 43.80 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 4.01 0.53 0.00 1.61 2.03 -1.82 -3.43 116.42 119.35 1k5k h ASP 80 Ca 0.14 -0.06 0.00 0.00 -0.73 0.00 0.00 57.03 56.38 1k5k h ASP 80 Cb 0.76 -0.14 0.00 0.00 -0.83 0.00 0.00 39.33 39.12 1k5k h ASP 80 CO 0.67 0.49 0.00 0.00 -1.03 0.00 0.00 179.24 179.37 1k5k n HIS 81 N -4.37 0.00 -1.71 4.15 1.44 -1.26 -4.99 115.22 108.48 1k5k n HIS 81 Ca 0.03 0.00 -0.09 0.00 -2.01 0.00 0.00 57.72 55.65 1k5k n HIS 81 Cb 0.15 0.00 0.05 0.00 0.12 0.00 0.00 29.99 30.31 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 -0.76 -0.10 -2.56 -1.40 -0.05 -1.26 -2.47 135.00 126.39 1k5k n PRO 82 Ca 0.00 -0.74 -0.42 0.00 -0.05 0.00 0.00 63.50 62.30 1k5k n PRO 82 Cb 0.00 -0.35 -0.01 0.00 -0.05 0.00 0.00 33.50 33.09 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 -1.49 4.03 0.00 0.52 2.01 -1.26 -4.85 115.64 114.60 1k5k s THR 83 Ca 0.23 -1.46 0.00 0.00 0.31 0.00 0.00 61.69 60.77 1k5k s THR 83 Cb -0.01 -5.13 0.00 0.00 0.01 0.00 0.00 72.50 67.37 1k5k s THR 83 CO 0.16 -1.97 0.00 0.61 -0.69 0.00 0.00 174.62 172.73 1k5k n GLY 84 N 5.97 -1.21 0.11 4.40 0.00 -1.26 -5.01 105.19 108.18 1k5k n GLY 84 Ca 0.43 0.92 -0.03 0.00 0.00 0.00 0.00 46.02 47.34 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 0.00 -2.40 1.61 0.13 -1.86 -3.41 132.00 126.06 1k5k h PRO 85 Ca 0.00 0.00 -0.55 0.00 -0.87 0.00 0.00 66.00 64.58 1k5k h PRO 85 Cb 0.00 0.00 -0.37 0.00 0.13 0.00 0.00 31.00 30.76 1k5k h PRO 85 CO 0.00 0.76 -0.87 0.21 -0.23 0.00 0.00 178.00 177.87 1k5k s LYS 86 N -3.08 0.69 0.00 0.86 2.20 -1.26 -4.29 119.74 114.86 1k5k s LYS 86 Ca 0.01 -1.55 0.00 0.00 -0.36 0.00 0.00 55.97 54.06 1k5k s LYS 86 Cb 0.10 -1.25 0.00 0.00 -1.51 0.00 0.00 37.83 35.18 1k5k s LYS 86 CO 0.78 -1.28 0.00 -1.91 -0.36 0.00 0.00 175.35 172.58