#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 0.12 -0.14 7.83 1.82 -1.95 -3.35 116.42 120.76 1k5k h ASP 2 Ca 0.00 0.18 0.00 0.00 -0.39 0.00 0.00 57.03 56.82 1k5k h ASP 2 Cb 0.00 0.21 0.00 0.00 0.68 0.00 0.00 39.33 40.22 1k5k h ASP 2 CO 0.00 -0.10 0.00 -0.81 -1.61 0.00 0.00 179.24 176.72 1k5k n PRO 3 N -5.16 1.88 0.00 0.28 -0.04 -1.26 -4.54 135.00 126.17 1k5k n PRO 3 Ca 0.21 -0.73 0.00 0.00 -0.04 0.00 0.00 63.50 62.94 1k5k n PRO 3 Cb 0.67 -1.64 0.00 0.00 -0.04 0.00 0.00 33.50 32.49 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 0.14 0.00 0.01 0.52 0.31 -1.26 -5.09 118.33 112.96 1k5k n VAL 4 Ca 0.06 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.39 1k5k n VAL 4 Cb 0.45 -0.05 0.00 0.00 -0.91 0.00 0.00 33.84 33.33 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 0.03 -4.62 4.52 5.75 -1.26 -5.09 116.55 115.88 1k5k n ASP 5 Ca 0.00 0.02 -0.31 0.00 -0.01 0.00 0.00 54.79 54.49 1k5k n ASP 5 Cb 0.00 0.00 -0.10 0.00 -1.03 0.00 0.00 41.12 40.00 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 2.48 -0.09 0.11 0.04 -1.26 -4.45 135.00 129.83 1k5k s PRO 6 Ca 0.00 -0.80 -0.07 0.00 0.04 0.00 0.00 61.00 60.17 1k5k s PRO 6 Cb 0.00 -2.48 -0.02 0.00 0.04 0.00 0.00 34.50 32.03 1k5k s PRO 6 CO 0.00 0.57 -0.14 0.09 0.04 0.00 0.00 177.00 177.56 1k5k n ASN 7 N 1.14 1.10 -3.41 6.66 3.02 -1.26 -4.38 115.26 118.13 1k5k n ASN 7 Ca -0.14 0.38 -0.26 0.00 -0.03 0.00 0.00 54.58 54.53 1k5k n ASN 7 Cb 0.52 -0.69 -0.11 0.00 -0.61 0.00 0.00 39.78 38.89 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 -6.72 0.93 0.01 3.41 1.43 -1.26 -4.85 118.68 111.62 1k5k s LEU 8 Ca -0.12 -2.39 -0.01 0.00 -1.03 0.00 0.00 54.13 50.58 1k5k s LEU 8 Cb 0.02 -0.24 -0.04 0.00 0.03 0.00 0.00 46.19 45.95 1k5k s LEU 8 CO 0.17 -0.25 0.13 -0.70 0.23 0.00 0.00 176.35 175.93 1k5k s GLU 9 N 0.78 3.21 0.29 1.70 2.12 -1.26 -5.06 118.70 120.48 1k5k s GLU 9 Ca 0.23 -0.44 0.03 0.00 0.36 0.00 0.00 54.97 55.15 1k5k s GLU 9 Cb -0.13 -2.95 0.73 0.00 0.26 0.00 0.00 34.13 32.04 1k5k s GLU 9 CO -0.06 0.65 1.64 -1.35 -0.54 0.00 0.00 175.26 175.59 1k5k h PRO 10 N 3.86 0.18 -2.80 4.30 0.11 -1.96 -3.37 132.00 132.32 1k5k h PRO 10 Ca -0.49 -0.01 -0.23 0.00 0.11 0.00 0.00 66.00 65.38 1k5k h PRO 10 Cb 1.18 -0.04 -0.33 0.00 0.11 0.00 0.00 31.00 31.92 1k5k h PRO 10 CO 0.66 0.12 -0.55 -0.46 -0.21 0.00 0.00 178.00 177.56 1k5k s TRP 11 N -5.93 -0.41 -0.34 0.65 -0.00 -1.26 -4.62 118.94 107.03 1k5k s TRP 11 Ca -0.12 0.86 0.02 0.00 -0.00 0.00 0.00 56.10 56.87 1k5k s TRP 11 Cb 0.26 -0.08 0.19 0.00 -0.00 0.00 0.00 33.47 33.84 1k5k s TRP 11 CO 0.77 -0.39 0.73 1.21 -0.00 0.00 0.00 176.95 179.27 1k5k s ASN 12 N 2.41 -1.26 -0.41 5.86 2.47 -1.26 -4.95 114.94 117.79 1k5k s ASN 12 Ca 0.02 -0.26 -0.11 0.00 0.42 0.00 0.00 52.86 52.94 1k5k s ASN 12 Cb -0.13 1.69 0.06 0.00 -1.45 0.00 0.00 41.25 41.43 1k5k s ASN 12 CO -0.09 -0.18 0.27 -2.28 -3.72 0.00 0.00 177.10 171.09 1k5k s HIS 13 N 2.34 3.29 0.12 0.43 5.65 -1.26 -4.89 115.29 120.97 1k5k s HIS 13 Ca 0.15 -1.26 -0.20 0.00 0.25 0.00 0.00 55.06 54.00 1k5k s HIS 13 Cb -0.05 -2.84 -0.07 0.00 -1.18 0.00 0.00 32.58 28.44 1k5k s HIS 13 CO -0.17 -0.78 1.75 -1.35 -0.65 0.00 0.00 174.74 173.55 1k5k h PRO 14 N 8.48 0.15 0.00 2.88 0.11 -1.85 -3.47 132.00 138.29 1k5k h PRO 14 Ca -0.25 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.86 1k5k h PRO 14 Cb 1.09 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 32.17 1k5k h PRO 14 CO 0.75 0.10 0.00 0.41 -0.21 0.00 0.00 178.00 179.05 1k5k n GLY 15 N -1.14 4.01 0.00 -0.55 0.00 -1.25 -4.16 105.19 102.10 1k5k n GLY 15 Ca -0.04 -0.34 0.00 0.00 0.00 0.00 0.00 46.02 45.64 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 -4.75 1.61 3.41 -0.85 -3.14 113.62 109.90 1k5k n SER 16 Ca 0.00 0.00 -0.26 0.00 -0.26 0.00 0.00 58.87 58.35 1k5k n SER 16 Cb 0.00 0.00 -0.06 0.00 -0.26 0.00 0.00 64.21 63.89 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 1.30 2.71 -0.31 4.33 -1.52 -1.25 -3.11 119.66 121.80 1k5k s GLN 17 Ca 0.00 -0.98 -0.22 0.00 -1.95 0.00 0.00 55.36 52.21 1k5k s GLN 17 Cb 0.00 -2.52 -0.00 0.00 -0.22 0.00 0.00 33.01 30.26 1k5k s GLN 17 CO 0.00 0.47 0.72 -1.25 -0.25 0.00 0.00 175.29 174.98 1k5k s PRO 18 N -3.11 3.90 -1.14 2.91 0.04 -1.26 -4.79 135.00 131.56 1k5k s PRO 18 Ca 0.30 0.43 -0.05 0.00 0.04 0.00 0.00 61.00 61.71 1k5k s PRO 18 Cb -0.10 -3.74 0.05 0.00 0.04 0.00 0.00 34.50 30.76 1k5k s PRO 18 CO 0.22 -0.66 0.13 0.54 0.04 0.00 0.00 177.00 177.26 1k5k n ARG 19 N 6.10 -0.91 -0.06 4.56 1.74 -1.26 -4.92 116.66 121.90 1k5k n ARG 19 Ca 0.02 0.07 -0.04 0.00 -0.77 0.00 0.00 57.85 57.13 1k5k n ARG 19 Cb 0.48 -2.70 -0.01 0.00 -1.02 0.00 0.00 32.46 29.21 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 -0.82 0.06 0.03 0.55 2.02 -1.74 -3.17 112.91 109.85 1k5k h THR 20 Ca -0.44 -1.06 -0.28 0.00 0.77 0.00 0.00 66.41 65.39 1k5k h THR 20 Cb 0.96 0.14 -0.04 0.00 -1.74 0.00 0.00 68.15 67.47 1k5k h THR 20 CO 0.53 0.02 -1.55 1.55 0.37 0.00 0.00 175.52 176.43 1k5k h PRO 21 N -1.00 0.07 0.50 6.66 0.13 -1.81 -3.30 132.00 133.24 1k5k h PRO 21 Ca -0.01 -0.11 -0.02 0.00 -0.87 0.00 0.00 66.00 64.98 1k5k h PRO 21 Cb 0.36 0.04 0.00 0.00 0.13 0.00 0.00 31.00 31.53 1k5k h PRO 21 CO -0.01 0.77 -0.24 0.00 -0.23 0.00 0.00 178.00 178.29 1k5k n ASN 23 N -5.33 -7.52 -1.61 0.00 3.02 -1.26 -3.83 115.26 98.73 1k5k n ASN 23 Ca -0.12 0.94 -0.10 0.00 -0.03 0.00 0.00 54.58 55.27 1k5k n ASN 23 Cb 0.30 -4.11 0.04 0.00 -0.61 0.00 0.00 39.78 35.41 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 -4.08 1.51 -3.63 3.52 4.81 -1.26 -4.87 118.16 114.16 1k5k n LYS 24 Ca -0.04 -1.10 -0.04 0.00 -0.87 0.00 0.00 58.31 56.27 1k5k n LYS 24 Cb 0.59 -1.43 -0.04 0.00 0.02 0.00 0.00 35.03 34.17 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 -1.07 2.99 0.00 0.00 2.02 -1.26 -4.71 117.35 115.32 1k5k s TYR 26 Ca 0.07 1.39 0.00 0.00 -0.37 0.00 0.00 57.07 58.16 1k5k s TYR 26 Cb -0.01 -3.71 0.00 0.00 -0.40 0.00 0.00 41.96 37.84 1k5k s TYR 26 CO -0.06 -1.98 0.00 0.00 -1.57 0.00 0.00 175.55 171.94 1k5k n LYS 28 N 0.00 -1.87 -2.34 0.00 0.00 -1.26 -2.01 118.16 110.67 1k5k n LYS 28 Ca 0.00 1.69 -0.36 0.00 0.00 0.00 0.00 58.31 59.64 1k5k n LYS 28 Cb 0.00 -2.39 -0.02 0.00 0.00 0.00 0.00 35.03 32.63 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 -1.12 3.76 0.00 1.64 2.36 -1.26 -3.92 119.74 121.19 1k5k s LYS 29 Ca -0.07 1.65 0.00 0.00 -2.55 0.00 0.00 55.97 55.00 1k5k s LYS 29 Cb 0.00 -2.32 0.00 0.00 -1.05 0.00 0.00 37.83 34.47 1k5k s LYS 29 CO 0.18 -0.52 0.00 0.00 1.55 0.00 0.00 175.35 176.56 1k5k s TYR 32 N -1.43 2.94 -0.29 0.00 5.04 -1.26 -5.02 117.35 117.33 1k5k s TYR 32 Ca 0.00 1.19 -0.15 0.00 -2.44 0.00 0.00 57.07 55.67 1k5k s TYR 32 Cb 0.00 -3.82 0.13 0.00 0.35 0.00 0.00 41.96 38.62 1k5k s TYR 32 CO 0.00 -2.47 0.83 -1.58 -1.34 0.00 0.00 175.55 170.99 1k5k s HIS 33 N -0.63 -0.89 -0.44 4.97 2.46 -1.26 -4.86 115.29 114.64 1k5k s HIS 33 Ca 0.54 1.67 -0.27 0.00 0.47 0.00 0.00 55.06 57.48 1k5k s HIS 33 Cb -0.42 0.53 0.03 0.00 -0.13 0.00 0.00 32.58 32.59 1k5k s HIS 33 CO 0.51 -0.44 1.01 0.00 -2.47 0.00 0.00 174.74 173.34 1k5k n GLN 35 N 7.30 0.00 -2.14 0.00 -0.06 -1.26 -4.48 117.38 116.74 1k5k n GLN 35 Ca 0.09 0.00 -0.41 0.00 -2.00 0.00 0.00 57.00 54.68 1k5k n GLN 35 Cb 0.48 0.00 -0.03 0.00 -4.06 0.00 0.00 30.24 26.64 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 3.07 0.01 3.69 0.23 -1.22 -4.97 119.30 120.10 1k5k s MET 36 Ca 0.00 0.82 -0.07 0.00 -1.03 0.00 0.00 55.69 55.42 1k5k s MET 36 Cb 0.00 -4.24 -0.04 0.00 -1.53 0.00 0.00 34.83 29.02 1k5k s MET 36 CO 0.00 -2.20 1.00 0.00 -2.03 0.00 0.00 175.02 171.79 1k5k s PHE 38 N -3.35 -0.84 -0.18 0.00 0.08 -1.26 -4.88 117.98 107.55 1k5k s PHE 38 Ca -0.04 1.28 -0.03 0.00 0.12 0.00 0.00 56.93 58.27 1k5k s PHE 38 Cb 0.00 0.21 -0.02 0.00 -0.57 0.00 0.00 43.02 42.65 1k5k s PHE 38 CO 0.11 -0.58 -0.05 0.96 -0.10 0.00 0.00 175.22 175.55 1k5k s ILE 39 N 2.60 3.55 -1.05 0.64 -5.25 -1.26 -5.06 121.20 115.36 1k5k s ILE 39 Ca 0.04 -0.46 -0.15 0.00 -0.99 0.00 0.00 60.65 59.10 1k5k s ILE 39 Cb -0.13 -2.58 0.18 0.00 2.95 0.00 0.00 42.46 42.88 1k5k s ILE 39 CO -0.14 0.46 1.19 0.42 -1.79 0.00 0.00 174.94 175.08 1k5k s THR 40 N 0.91 5.19 -0.37 8.37 -4.23 -1.26 -4.96 115.64 119.29 1k5k s THR 40 Ca -0.01 -2.42 -0.01 0.00 -1.18 0.00 0.00 61.69 58.07 1k5k s THR 40 Cb -0.15 -4.76 0.10 0.00 1.34 0.00 0.00 72.50 69.04 1k5k s THR 40 CO 0.01 -1.43 0.12 -1.59 -0.54 0.00 0.00 174.62 171.19 1k5k s LYS 41 N 1.23 1.92 0.00 3.99 0.00 -1.26 -4.77 119.74 120.84 1k5k s LYS 41 Ca 0.34 -1.74 0.00 0.00 0.00 0.00 0.00 55.97 54.57 1k5k s LYS 41 Cb -0.06 -3.40 0.00 0.00 0.00 0.00 0.00 37.83 34.38 1k5k s LYS 41 CO -0.06 -0.95 0.00 0.41 0.00 0.00 0.00 175.35 174.75 1k5k n GLY 42 N 4.49 0.71 2.61 0.59 0.00 -1.26 -5.01 105.19 107.32 1k5k n GLY 42 Ca -0.02 -0.66 -0.41 0.00 0.00 0.00 0.00 46.02 44.93 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 7.47 0.00 0.99 4.77 -1.26 -4.71 117.00 124.25 1k5k n LEU 43 Ca 0.00 -4.30 0.00 0.00 -0.03 0.00 0.00 56.01 51.68 1k5k n LEU 43 Cb 0.00 -1.60 0.00 0.00 -2.33 0.00 0.00 43.42 39.49 1k5k n LEU 43 CO 0.00 1.47 0.00 0.61 -1.33 0.00 0.00 177.39 178.14 1k5k n GLY 44 N 3.69 0.01 1.15 -0.72 0.00 -1.17 -4.87 105.19 103.28 1k5k n GLY 44 Ca 0.59 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.61 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 0.00 0.21 -0.27 -0.61 5.41 -1.26 -4.85 119.36 117.99 1k5k n ILE 45 Ca 0.00 0.07 0.08 0.00 1.00 0.00 0.00 62.75 63.90 1k5k n ILE 45 Cb 0.00 -0.97 0.21 0.00 -0.71 0.00 0.00 39.64 38.17 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 -0.19 -3.00 4.38 4.64 -1.93 -0.71 113.55 116.74 1k5k h SER 46 Ca 0.00 0.19 -0.57 0.00 -0.47 0.00 0.00 61.79 60.95 1k5k h SER 46 Cb 0.00 0.30 -0.04 0.00 -0.31 0.00 0.00 62.40 62.35 1k5k h SER 46 CO 0.00 -0.16 1.03 -0.31 -0.87 0.00 0.00 176.83 176.53 1k5k s TYR 47 N -6.04 2.45 -0.29 4.77 2.02 -1.26 -4.27 117.35 114.73 1k5k s TYR 47 Ca -0.13 0.74 -0.15 0.00 -0.37 0.00 0.00 57.07 57.16 1k5k s TYR 47 Cb 0.24 -3.95 0.14 0.00 -0.40 0.00 0.00 41.96 37.98 1k5k s TYR 47 CO 0.76 -2.19 0.89 0.20 -1.57 0.00 0.00 175.55 173.64 1k5k s GLY 48 N 3.39 -0.26 -0.01 0.71 0.00 -1.25 -3.05 107.32 106.85 1k5k s GLY 48 Ca 0.62 2.89 -0.07 0.00 0.00 0.00 0.00 44.72 48.16 1k5k s GLY 48 CO 0.26 2.79 0.57 -0.09 0.00 0.00 0.00 173.10 176.63 1k5k h ARG 49 N 6.86 -0.24 -2.17 2.90 2.43 -1.96 -3.37 114.38 118.84 1k5k h ARG 49 Ca -0.24 0.02 -0.76 0.00 -0.81 0.00 0.00 59.98 58.19 1k5k h ARG 49 Cb 1.17 0.05 -0.30 0.00 -0.42 0.00 0.00 29.97 30.47 1k5k h ARG 49 CO 0.15 -0.16 0.73 1.17 -1.51 0.00 0.00 179.97 180.35 1k5k n LYS 50 N -3.25 4.49 0.00 0.20 4.81 -1.26 -4.89 118.16 118.25 1k5k n LYS 50 Ca -0.03 -4.45 0.00 0.00 -0.87 0.00 0.00 58.31 52.96 1k5k n LYS 50 Cb 0.10 -2.39 0.00 0.00 0.02 0.00 0.00 35.03 32.76 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 -0.21 0.00 -2.52 1.64 5.02 -1.26 -5.16 118.16 115.67 1k5k n LYS 51 Ca 0.46 0.00 -0.01 0.00 -2.02 0.00 0.00 58.31 56.74 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 -3.11 -4.36 1.97 0.63 -0.27 -4.94 116.66 106.58 1k5k n ARG 52 Ca 0.00 2.53 -0.18 0.00 -0.92 0.00 0.00 57.85 59.28 1k5k n ARG 52 Cb 0.00 -4.71 -0.10 0.00 0.45 0.00 0.00 32.46 28.10 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 -1.31 1.51 -0.06 -0.14 3.52 -1.26 -4.94 118.95 116.27 1k5k s ARG 53 Ca -0.03 -1.83 -0.02 0.00 -0.13 0.00 0.00 55.73 53.72 1k5k s ARG 53 Cb 0.00 -0.38 0.03 0.00 -1.56 0.00 0.00 34.95 33.04 1k5k s ARG 53 CO 0.67 -0.30 0.03 -1.14 -0.81 0.00 0.00 175.30 173.74 1k5k s GLN 54 N -3.96 0.34 -0.08 5.12 0.74 -1.26 -4.32 119.66 116.23 1k5k s GLN 54 Ca 0.37 0.21 0.01 0.00 0.05 0.00 0.00 55.36 56.00 1k5k s GLN 54 Cb 0.07 -0.81 0.02 0.00 1.10 0.00 0.00 33.01 33.39 1k5k s GLN 54 CO 0.15 -0.32 -0.11 0.50 -0.55 0.00 0.00 175.29 174.96 1k5k s ARG 55 N 2.05 1.65 -0.06 1.67 3.52 -1.26 -5.10 118.95 121.42 1k5k s ARG 55 Ca 0.05 -0.36 -0.12 0.00 -0.13 0.00 0.00 55.73 55.17 1k5k s ARG 55 Cb -0.12 -1.47 -0.05 0.00 -1.56 0.00 0.00 34.95 31.74 1k5k s ARG 55 CO -0.04 -0.08 0.31 0.50 -0.81 0.00 0.00 175.30 175.18 1k5k s ARG 56 N 1.02 3.81 0.07 5.12 3.52 -1.26 -4.75 118.95 126.48 1k5k s ARG 56 Ca -0.08 0.20 0.00 0.00 -0.13 0.00 0.00 55.73 55.72 1k5k s ARG 56 Cb -0.15 -3.24 0.00 0.00 -1.56 0.00 0.00 34.95 30.01 1k5k s ARG 56 CO -0.01 0.66 0.00 -2.13 -0.81 0.00 0.00 175.30 173.01 1k5k n ARG 57 N 2.10 0.00 -1.37 5.12 0.00 -1.26 -4.82 116.66 116.43 1k5k n ARG 57 Ca -0.16 0.00 -0.30 0.00 -0.00 0.00 0.00 57.85 57.39 1k5k n ARG 57 Cb 0.53 -0.02 0.23 0.00 0.00 0.00 0.00 32.46 33.20 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 -1.27 -0.77 0.23 -0.14 0.04 -1.26 -5.02 135.00 126.81 1k5k s PRO 58 Ca 0.00 -0.26 -0.07 0.00 0.04 0.00 0.00 61.00 60.72 1k5k s PRO 58 Cb 0.00 -1.67 0.38 0.00 0.04 0.00 0.00 34.50 33.25 1k5k s PRO 58 CO 0.00 -3.38 1.73 -1.35 0.04 0.00 0.00 177.00 174.04 1k5k h PRO 59 N -2.34 0.39 -5.15 0.56 0.11 -1.95 -3.42 132.00 120.21 1k5k h PRO 59 Ca -0.44 -0.02 -0.41 0.00 0.11 0.00 0.00 66.00 65.24 1k5k h PRO 59 Cb 1.27 -0.09 -0.24 0.00 0.11 0.00 0.00 31.00 32.05 1k5k h PRO 59 CO 0.32 0.26 -0.78 -1.14 -0.21 0.00 0.00 178.00 176.45 1k5k s GLN 60 N -6.06 0.82 0.00 1.05 2.00 -1.20 -4.46 119.66 111.82 1k5k s GLN 60 Ca -0.13 -0.76 0.00 0.00 -2.00 0.00 0.00 55.36 52.48 1k5k s GLN 60 Cb 0.19 -0.80 0.00 0.00 0.80 0.00 0.00 33.01 33.21 1k5k s GLN 60 CO 0.75 0.19 0.00 0.41 -0.50 0.00 0.00 175.29 176.14 1k5k n GLY 61 N 1.79 -1.36 0.27 2.59 0.00 -1.26 -4.36 105.19 102.86 1k5k n GLY 61 Ca -0.19 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 45.82 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 -0.71 0.00 1.61 4.21 -1.98 -2.94 115.58 115.77 1k5k h ASN 62 Ca 0.00 0.20 0.00 0.00 1.21 0.00 0.00 56.30 57.71 1k5k h ASN 62 Cb 0.00 0.44 0.00 0.00 -1.12 0.00 0.00 38.32 37.64 1k5k h ASN 62 CO 0.00 -0.24 0.00 1.67 -1.29 0.00 0.00 177.43 177.57 1k5k n GLN 63 N -5.44 0.43 -0.09 0.81 7.27 -1.26 -1.59 117.38 117.50 1k5k n GLN 63 Ca 0.07 0.00 -0.11 0.00 0.07 0.00 0.00 57.00 57.03 1k5k n GLN 63 Cb 0.34 -1.06 -0.12 0.00 2.41 0.00 0.00 30.24 31.81 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 -0.56 1.57 -0.06 1.69 0.00 -1.11 -4.62 120.51 117.42 1k5k n ALA 64 Ca 0.01 -1.03 -0.06 0.00 0.00 0.00 0.00 53.44 52.37 1k5k n ALA 64 Cb 0.01 -0.06 -0.05 0.00 0.00 0.00 0.00 19.45 19.35 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 0.00 0.00 -3.99 0.00 3.86 -1.67 -3.39 115.15 109.96 1k5k h HIS 65 Ca -0.47 0.00 -0.45 0.00 -1.16 0.00 0.00 60.37 58.29 1k5k h HIS 65 Cb 1.91 0.00 -0.02 0.00 1.06 0.00 0.00 27.41 30.36 1k5k h HIS 65 CO 0.01 0.39 0.35 -1.14 0.86 0.00 0.00 177.93 178.40 1k5k s GLN 66 N -1.86 4.35 -0.12 2.45 0.74 -0.62 -4.75 119.66 119.85 1k5k s GLN 66 Ca -0.09 1.23 -0.06 0.00 0.05 0.00 0.00 55.36 56.49 1k5k s GLN 66 Cb -0.00 -2.43 -0.02 0.00 1.10 0.00 0.00 33.01 31.65 1k5k s GLN 66 CO 0.27 0.07 -0.12 -0.44 -0.55 0.00 0.00 175.29 174.52 1k5k h ASP 67 N 2.42 0.00 0.00 6.67 5.19 -1.89 -3.44 116.42 125.36 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 1.19 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.70 1k5k h ASP 67 CO 0.63 0.62 0.00 -0.81 -3.12 0.00 0.00 179.24 176.56 1k5k n PRO 68 N -4.40 0.00 0.00 3.56 -0.04 -1.26 -4.48 135.00 128.38 1k5k n PRO 68 Ca -0.05 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.41 1k5k n PRO 68 Cb 0.18 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.64 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 -4.93 1.53 4.77 -1.26 -4.74 117.00 112.37 1k5k n LEU 69 Ca 0.00 0.00 -0.29 0.00 -0.03 0.00 0.00 56.01 55.69 1k5k n LEU 69 Cb 0.00 0.00 -0.04 0.00 -2.33 0.00 0.00 43.42 41.05 1k5k n LEU 69 CO 0.00 0.00 -0.08 -2.16 -1.33 0.00 0.00 177.39 173.82 1k5k s PRO 70 N -0.98 3.47 -0.92 3.23 0.04 -1.25 -4.65 135.00 133.95 1k5k s PRO 70 Ca 0.00 -0.44 -0.08 0.00 0.04 0.00 0.00 61.00 60.52 1k5k s PRO 70 Cb 0.00 -2.95 -0.06 0.00 0.04 0.00 0.00 34.50 31.52 1k5k s PRO 70 CO 0.00 0.52 2.10 -0.85 0.04 0.00 0.00 177.00 178.81 1k5k n GLU 71 N -0.23 2.05 -3.34 4.56 0.00 -1.26 -4.41 120.64 118.01 1k5k n GLU 71 Ca -0.05 -1.53 -0.19 0.00 0.00 0.00 0.00 57.16 55.39 1k5k n GLU 71 Cb 0.53 -2.52 -0.08 0.00 0.00 0.00 0.00 31.44 29.36 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 3.59 0.69 -0.84 3.44 -0.21 -1.26 -5.03 119.66 120.03 1k5k s GLN 72 Ca 0.42 -1.09 -0.25 0.00 0.02 0.00 0.00 55.36 54.46 1k5k s GLN 72 Cb 0.11 -0.83 -0.05 0.00 1.00 0.00 0.00 33.01 33.24 1k5k s GLN 72 CO -0.02 -1.23 1.95 -1.25 -2.12 0.00 0.00 175.29 172.62 1k5k s PRO 73 N 1.17 2.53 0.00 2.91 0.04 -1.26 -3.30 135.00 137.10 1k5k s PRO 73 Ca 0.20 -0.08 0.00 0.00 0.04 0.00 0.00 61.00 61.16 1k5k s PRO 73 Cb -0.13 -4.92 0.00 0.00 0.04 0.00 0.00 34.50 29.49 1k5k s PRO 73 CO -0.04 -3.29 0.00 0.45 0.04 0.00 0.00 177.00 174.16 1k5k n SER 74 N 13.91 0.00 -4.74 6.66 2.88 -1.26 -4.84 113.62 126.23 1k5k n SER 74 Ca 0.37 0.00 -0.39 0.00 -1.33 0.00 0.00 58.87 57.51 1k5k n SER 74 Cb 0.48 0.00 -0.05 0.00 -0.75 0.00 0.00 64.21 63.89 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 1.51 6.96 -0.12 -3.46 1.04 -1.26 -2.15 113.70 116.22 1k5k s SER 75 Ca 0.00 1.15 -0.00 0.00 0.48 0.00 0.00 55.95 57.58 1k5k s SER 75 Cb 0.00 -2.38 0.00 0.00 0.10 0.00 0.00 66.02 63.74 1k5k s SER 75 CO 0.00 -0.01 0.01 1.67 0.98 0.00 0.00 173.24 175.89 1k5k n GLN 76 N 3.30 -1.49 -3.61 4.02 7.27 -1.26 -4.58 117.38 121.04 1k5k n GLN 76 Ca -0.04 1.47 -0.25 0.00 0.07 0.00 0.00 57.00 58.25 1k5k n GLN 76 Cb 0.51 -2.79 0.03 0.00 2.41 0.00 0.00 30.24 30.39 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 0.33 -2.11 0.00 3.69 -0.00 -1.26 -4.96 115.22 110.91 1k5k n HIS 77 Ca -0.02 0.63 0.00 0.00 -0.00 0.00 0.00 57.72 58.34 1k5k n HIS 77 Cb 0.02 -3.40 0.00 0.00 -0.00 0.00 0.00 29.99 26.61 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 -3.49 0.00 -3.17 1.57 5.12 -1.26 -4.79 116.66 110.64 1k5k n ARG 78 Ca -0.12 0.00 -0.20 0.00 -1.93 0.00 0.00 57.85 55.60 1k5k n ARG 78 Cb 0.59 0.00 -0.04 0.00 -1.16 0.00 0.00 32.46 31.86 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 -0.92 3.66 0.38 -0.13 0.00 -0.91 -4.30 105.19 102.97 1k5k n GLY 79 Ca 0.00 -1.78 0.20 0.00 0.00 0.00 0.00 46.02 44.44 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 3.20 0.00 0.00 1.61 2.03 -1.84 -3.42 116.42 118.01 1k5k h ASP 80 Ca 0.10 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.40 1k5k h ASP 80 Cb 0.91 -0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.41 1k5k h ASP 80 CO 0.53 0.00 0.00 0.00 -1.03 0.00 0.00 179.24 178.74 1k5k n HIS 81 N -4.38 0.00 -2.23 4.15 1.44 -1.26 -4.95 115.22 107.99 1k5k n HIS 81 Ca 0.10 0.00 -0.10 0.00 -2.01 0.00 0.00 57.72 55.71 1k5k n HIS 81 Cb 0.60 0.00 0.06 0.00 0.12 0.00 0.00 29.99 30.77 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 -0.91 0.17 -2.41 -1.40 -0.05 -1.26 -3.44 135.00 125.70 1k5k n PRO 82 Ca 0.00 -1.09 -0.38 0.00 -0.05 0.00 0.00 63.50 61.98 1k5k n PRO 82 Cb 0.00 -0.33 -0.03 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 -1.33 3.73 0.00 0.52 2.01 -1.26 -4.87 115.64 114.44 1k5k s THR 83 Ca 0.28 -0.34 0.00 0.00 0.31 0.00 0.00 61.69 61.95 1k5k s THR 83 Cb -0.01 -4.73 0.00 0.00 0.01 0.00 0.00 72.50 67.77 1k5k s THR 83 CO 0.19 -1.64 0.00 0.61 -0.69 0.00 0.00 174.62 173.09 1k5k n GLY 84 N 6.44 -0.86 0.08 4.40 0.00 -1.26 -4.99 105.19 109.00 1k5k n GLY 84 Ca 0.27 0.80 -0.11 0.00 0.00 0.00 0.00 46.02 46.97 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 0.11 -1.93 1.61 0.13 -1.86 -3.43 132.00 126.63 1k5k h PRO 85 Ca 0.00 -0.19 -0.51 0.00 -0.87 0.00 0.00 66.00 64.43 1k5k h PRO 85 Cb 0.00 0.07 -0.35 0.00 0.13 0.00 0.00 31.00 30.85 1k5k h PRO 85 CO 0.00 1.04 -0.95 1.17 -0.23 0.00 0.00 178.00 179.03 1k5k n LYS 86 N -3.39 0.45 -0.65 0.86 4.81 -1.26 -3.97 118.16 115.01 1k5k n LYS 86 Ca -0.06 -2.98 0.00 0.00 -0.87 0.00 0.00 58.31 54.40 1k5k n LYS 86 Cb 0.99 -1.47 0.00 0.00 0.02 0.00 0.00 35.03 34.56 1k5k n LYS 86 CO 0.00 0.00 0.00 -1.91 1.17 0.00 0.00 177.40 176.66