#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3c5k s PRO 1 N 0.00 1.18 0.28 -1.46 0.04 -1.26 -4.98 135.00 128.81 3c5k s PRO 1 Ca 0.00 0.35 -0.29 0.00 0.04 0.00 0.00 61.00 61.10 3c5k s PRO 1 Cb 0.00 -1.84 -0.10 0.00 0.04 0.00 0.00 34.50 32.60 3c5k s PRO 1 CO 0.00 -2.18 1.27 -0.51 0.04 0.00 0.00 177.00 175.62 3c5k s LEU 2 N -6.04 4.45 0.00 -3.56 1.43 0.34 -4.76 118.68 110.54 3c5k s LEU 2 Ca 0.64 2.53 0.18 0.00 -1.03 0.00 0.00 54.13 56.44 3c5k s LEU 2 Cb -0.15 -3.63 0.79 0.00 0.03 0.00 0.00 46.19 43.23 3c5k s LEU 2 CO 0.54 -0.46 1.56 -0.81 0.23 0.00 0.00 176.35 177.41 3c5k n PRO 3 N 1.42 0.07 -3.54 1.29 -0.04 -1.26 -0.39 135.00 132.55 3c5k n PRO 3 Ca 0.02 0.18 -0.12 0.00 -0.04 0.00 0.00 63.50 63.53 3c5k n PRO 3 Cb 0.43 -1.50 -0.05 0.00 -0.04 0.00 0.00 33.50 32.34 3c5k n PRO 3 CO 0.00 0.00 0.00 -0.46 -0.04 0.00 0.00 175.50 175.00 3c5k s TRP 4 N -2.89 -0.45 0.07 0.54 -0.00 -1.26 -4.45 118.94 110.50 3c5k s TRP 4 Ca 0.11 0.67 -0.06 0.00 -0.00 0.00 0.00 56.10 56.82 3c5k s TRP 4 Cb 0.12 0.46 -0.01 0.00 -0.00 0.00 0.00 33.47 34.03 3c5k s TRP 4 CO 0.31 -0.47 0.12 0.00 -0.00 0.00 0.00 176.95 176.91 3c5k n PRO 6 N 0.05 0.42 -0.00 0.00 -0.04 -1.26 -2.81 135.00 131.36 3c5k n PRO 6 Ca -0.15 0.02 0.09 0.00 -0.04 0.00 0.00 63.50 63.42 3c5k n PRO 6 Cb 0.62 -1.50 0.08 0.00 -0.04 0.00 0.00 33.50 32.65 3c5k n PRO 6 CO 0.00 0.00 0.00 0.72 -0.04 0.00 0.00 175.50 176.18 3c5k n HIS 7 N -1.04 0.01 0.21 0.54 8.25 -1.26 -4.40 115.22 117.52 3c5k n HIS 7 Ca 0.10 -0.00 0.15 0.00 -0.26 0.00 0.00 57.72 57.71 3c5k n HIS 7 Cb 0.06 -0.00 0.79 0.00 1.12 0.00 0.00 29.99 31.96 3c5k n HIS 7 CO 0.00 0.00 0.00 -0.07 0.64 0.00 0.00 176.34 176.91 3c5k h LEU 8 N 3.56 0.00 -2.78 2.41 3.38 -1.95 -0.76 115.31 119.16 3c5k h LEU 8 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3c5k h LEU 8 Cb 0.76 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.51 3c5k h LEU 8 CO 0.00 0.00 0.03 -0.37 0.09 0.00 0.00 178.44 178.19 3c5k h VAL 9 N 0.00 0.00 -0.02 1.22 -1.51 -1.84 -1.25 116.25 112.85 3c5k h VAL 9 Ca 0.07 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 65.54 3c5k h VAL 9 Cb 0.34 0.93 0.00 0.00 -2.13 0.00 0.00 31.29 30.42 3c5k h VAL 9 CO -0.00 0.00 -0.12 0.00 -1.23 0.00 0.00 177.57 176.22 3c5k n ALA 10 N -2.04 2.79 -2.32 5.19 0.00 -0.29 -4.85 120.51 118.99 3c5k n ALA 10 Ca -0.03 -0.53 -0.42 0.00 0.00 0.00 0.00 53.44 52.45 3c5k n ALA 10 Cb 0.10 -1.00 -0.03 0.00 0.00 0.00 0.00 19.45 18.52 3c5k n ALA 10 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 3c5k s VAL 11 N -2.17 4.01 0.24 0.00 1.01 -0.47 -4.25 120.40 118.76 3c5k s VAL 11 Ca 0.30 1.32 0.06 0.00 0.00 0.00 0.00 61.98 63.65 3c5k s VAL 11 Cb 0.20 -3.85 -0.03 0.00 0.00 0.00 0.00 36.38 32.70 3c5k s VAL 11 CO 0.40 -0.05 0.30 0.00 0.00 0.00 0.00 175.10 175.75 3c5k n PRO 13 N -1.29 2.12 -2.05 0.00 -0.02 -1.26 -4.91 135.00 127.60 3c5k n PRO 13 Ca -0.09 0.75 -0.41 0.00 -2.02 0.00 0.00 63.50 61.73 3c5k n PRO 13 Cb 0.57 -2.42 -0.02 0.00 -0.02 0.00 0.00 33.50 31.61 3c5k n PRO 13 CO 0.00 0.00 0.00 -1.50 1.98 0.00 0.00 175.50 175.98 3c5k s ILE 14 N -1.15 2.77 0.54 4.25 1.10 -1.26 -4.97 121.20 122.48 3c5k s ILE 14 Ca 0.58 0.64 -0.21 0.00 -0.51 0.00 0.00 60.65 61.14 3c5k s ILE 14 Cb -0.52 -3.41 -0.05 0.00 0.15 0.00 0.00 42.46 38.63 3c5k s ILE 14 CO 0.60 0.10 1.26 -2.65 -2.11 0.00 0.00 174.94 172.14 3c5k n PRO 15 N 2.50 1.53 0.26 3.50 -0.02 -1.26 -4.89 135.00 136.62 3c5k n PRO 15 Ca 0.07 0.57 0.14 0.00 -2.02 0.00 0.00 63.50 62.25 3c5k n PRO 15 Cb 0.41 -2.46 0.70 0.00 -0.02 0.00 0.00 33.50 32.13 3c5k n PRO 15 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3c5k h ALA 16 N 1.29 1.14 -0.24 3.55 0.00 -2.05 -0.27 119.26 122.69 3c5k h ALA 16 Ca -0.50 -0.10 0.07 0.00 0.00 0.00 0.00 54.91 54.38 3c5k h ALA 16 Cb 1.32 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 19.08 3c5k h ALA 16 CO 0.56 0.14 0.22 0.00 0.00 0.00 0.00 179.25 180.18 3c5k h ALA 17 N 1.88 1.98 0.00 0.00 0.00 -2.03 -3.48 119.26 117.61 3c5k h ALA 17 Ca -0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 3c5k h ALA 17 Cb 0.44 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.25 3c5k h ALA 17 CO 0.01 -0.35 0.00 0.41 0.00 0.00 0.00 179.25 179.33 3c5k n GLY 18 N -1.47 -1.84 3.44 0.00 0.00 -0.11 -4.94 105.19 100.27 3c5k n GLY 18 Ca 0.03 -1.48 -0.30 0.00 0.00 0.00 0.00 46.02 44.27 3c5k n GLY 18 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3c5k s LEU 19 N 0.00 2.55 -0.33 0.99 1.43 -1.26 -4.76 118.68 117.30 3c5k s LEU 19 Ca 0.00 -0.51 0.04 0.00 -1.03 0.00 0.00 54.13 52.63 3c5k s LEU 19 Cb 0.00 -1.47 0.09 0.00 0.03 0.00 0.00 46.19 44.85 3c5k s LEU 19 CO 0.00 0.23 0.03 -0.62 0.23 0.00 0.00 176.35 176.22 3c5k s ASP 20 N -1.66 4.72 0.04 2.29 -1.08 -1.26 -4.87 116.67 114.84 3c5k s ASP 20 Ca 0.15 -2.05 0.15 0.00 -0.52 0.00 0.00 52.55 50.28 3c5k s ASP 20 Cb -0.10 -1.61 0.64 0.00 -1.46 0.00 0.00 42.92 40.39 3c5k s ASP 20 CO 0.06 -0.36 1.47 1.33 0.52 0.00 0.00 175.17 178.20 3c5k n VAL 21 N 4.28 1.05 -0.27 1.11 0.24 -1.26 -1.20 118.33 122.28 3c5k n VAL 21 Ca 0.02 0.27 0.12 0.00 -2.04 0.00 0.00 64.34 62.71 3c5k n VAL 21 Cb 0.42 -1.07 0.31 0.00 -1.47 0.00 0.00 33.84 32.03 3c5k n VAL 21 CO 0.00 0.00 0.00 0.35 -2.14 0.00 0.00 176.83 175.04 3c5k n THR 22 N -1.62 0.92 -1.90 3.34 -2.24 -1.26 -4.91 114.28 106.61 3c5k n THR 22 Ca 0.03 -0.96 -0.42 0.00 -2.27 0.00 0.00 64.05 60.43 3c5k n THR 22 Cb 0.16 0.57 -0.03 0.00 -2.10 0.00 0.00 70.33 68.94 3c5k n THR 22 CO 0.00 0.00 0.00 -1.58 -0.57 0.00 0.00 175.07 172.92 3c5k s GLN 23 N -1.08 4.20 0.77 -0.78 0.74 -0.35 -5.00 119.66 118.17 3c5k s GLN 23 Ca 0.48 2.41 -0.11 0.00 0.05 0.00 0.00 55.36 58.19 3c5k s GLN 23 Cb 0.25 -3.13 0.06 0.00 1.10 0.00 0.00 33.01 31.30 3c5k s GLN 23 CO 0.34 -0.61 1.14 -1.25 -0.55 0.00 0.00 175.29 174.35 3c5k s PRO 24 N 0.89 2.18 0.22 1.67 0.04 -1.26 -4.93 135.00 133.81 3c5k s PRO 24 Ca 0.69 0.14 -0.31 0.00 0.04 0.00 0.00 61.00 61.56 3c5k s PRO 24 Cb -0.45 -1.99 -0.11 0.00 0.04 0.00 0.00 34.50 31.99 3c5k s PRO 24 CO 0.34 -1.44 1.62 0.00 0.04 0.00 0.00 177.00 177.56 3c5k h GLY 26 N 6.15 0.00 0.00 0.00 0.00 -1.14 -0.43 103.07 107.65 3c5k h GLY 26 Ca -0.44 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.89 3c5k h GLY 26 CO 0.89 0.00 -0.22 1.22 0.00 0.00 0.00 176.54 178.43 3c5k n ASP 27 N -3.17 0.71 0.03 0.19 8.00 -1.26 -4.75 116.55 116.29 3c5k n ASP 27 Ca -0.01 0.36 0.11 0.00 0.71 0.00 0.00 54.79 55.97 3c5k n ASP 27 Cb 0.21 -0.64 0.06 0.00 -0.02 0.00 0.00 41.12 40.73 3c5k n ASP 27 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3c5k n GLY 29 N 1.37 0.81 3.72 0.00 0.00 -0.17 -4.96 105.19 105.96 3c5k n GLY 29 Ca 0.02 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.65 3c5k n GLY 29 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 3c5k n THR 30 N -2.34 3.44 1.23 2.61 5.66 -1.26 -4.34 114.28 119.28 3c5k n THR 30 Ca 0.00 -0.50 0.13 0.00 -3.05 0.00 0.00 64.05 60.63 3c5k n THR 30 Cb 0.00 -1.59 0.36 0.00 -1.55 0.00 0.00 70.33 67.54 3c5k n THR 30 CO 0.00 0.00 0.00 2.30 -3.05 0.00 0.00 175.07 174.32 3c5k n ILE 31 N -0.86 0.00 -3.80 1.09 -5.35 -1.26 -1.43 119.36 107.75 3c5k n ILE 31 Ca 0.09 -0.13 -0.35 0.00 -0.27 0.00 0.00 62.75 62.09 3c5k n ILE 31 Cb 0.43 0.43 -0.05 0.00 -1.74 0.00 0.00 39.64 38.71 3c5k n ILE 31 CO 0.00 0.00 0.00 -1.10 -1.76 0.00 0.00 176.55 173.69 3c5k s GLN 32 N -2.51 3.54 -1.45 6.28 -0.21 -1.26 -4.62 119.66 119.43 3c5k s GLN 32 Ca 0.24 -0.11 -0.07 0.00 0.02 0.00 0.00 55.36 55.44 3c5k s GLN 32 Cb 0.19 -3.11 0.03 0.00 1.00 0.00 0.00 33.01 31.12 3c5k s GLN 32 CO 0.53 0.68 0.60 0.39 -2.12 0.00 0.00 175.29 175.37 3c5k n GLU 33 N 1.29 -4.53 -2.67 2.91 -0.58 -1.26 -4.57 120.64 111.24 3c5k n GLU 33 Ca -0.13 0.74 -0.32 0.00 -0.42 0.00 0.00 57.16 57.03 3c5k n GLU 33 Cb 0.53 -5.56 -0.05 0.00 -0.57 0.00 0.00 31.44 25.79 3c5k n GLU 33 CO 0.00 0.00 0.00 -0.80 -0.48 0.00 0.00 177.13 175.85 3c5k s ASN 34 N -2.75 6.72 0.16 1.62 0.01 -1.26 -0.24 114.94 119.20 3c5k s ASN 34 Ca 0.36 1.52 0.08 0.00 -0.71 0.00 0.00 52.86 54.11 3c5k s ASN 34 Cb -0.17 -2.48 -0.04 0.00 0.41 0.00 0.00 41.25 38.97 3c5k s ASN 34 CO 0.45 -0.45 -0.17 0.26 -1.51 0.00 0.00 177.10 175.68 3c5k s TRP 35 N -2.39 1.71 -0.07 2.20 0.52 -0.04 -1.23 118.94 119.64 3c5k s TRP 35 Ca 0.58 -0.51 0.03 0.00 0.02 0.00 0.00 56.10 56.23 3c5k s TRP 35 Cb -0.10 -0.85 -0.02 0.00 -1.15 0.00 0.00 33.47 31.35 3c5k s TRP 35 CO 0.24 0.30 -0.15 0.54 0.02 0.00 0.00 176.95 177.90 3c5k s VAL 36 N -2.24 2.94 -0.12 4.03 0.11 0.23 -1.59 120.40 123.77 3c5k s VAL 36 Ca 0.15 -0.75 -0.30 0.00 -2.93 0.00 0.00 61.98 58.16 3c5k s VAL 36 Cb -0.05 -2.17 -0.01 0.00 -1.53 0.00 0.00 36.38 32.62 3c5k s VAL 36 CO 0.06 0.57 1.05 0.00 -3.33 0.00 0.00 175.10 173.45 3c5k n LEU 38 N 5.25 0.00 -0.09 0.00 4.77 -0.13 -0.04 117.00 126.76 3c5k n LEU 38 Ca 0.10 0.06 -0.12 0.00 -0.03 0.00 0.00 56.01 56.02 3c5k n LEU 38 Cb 0.48 -0.06 -0.05 0.00 -2.33 0.00 0.00 43.42 41.46 3c5k n LEU 38 CO 0.53 -0.01 -0.59 -1.20 -1.33 0.00 0.00 177.39 174.78 3c5k n SER 39 N -1.06 1.87 -0.20 -1.43 7.64 -1.26 -0.82 113.62 118.35 3c5k n SER 39 Ca 0.19 0.48 0.05 0.00 1.01 0.00 0.00 58.87 60.60 3c5k n SER 39 Cb 0.12 -0.85 -0.00 0.00 -1.01 0.00 0.00 64.21 62.47 3c5k n SER 39 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3c5k n TYR 41 N -0.32 0.00 -2.24 0.00 4.01 0.94 -4.99 117.16 114.56 3c5k n TYR 41 Ca 0.04 0.00 -0.34 0.00 -0.16 0.00 0.00 57.90 57.44 3c5k n TYR 41 Cb 0.20 -2.79 -0.00 0.00 -0.31 0.00 0.00 39.34 36.43 3c5k n TYR 41 CO 0.00 0.00 0.00 -0.65 -0.46 0.00 0.00 176.86 175.75 3c5k s GLN 42 N -3.20 3.44 -0.10 -0.72 -0.21 -1.26 -4.71 119.66 112.90 3c5k s GLN 42 Ca 0.00 1.38 0.03 0.00 0.02 0.00 0.00 55.36 56.79 3c5k s GLN 42 Cb 0.00 -2.04 -0.01 0.00 1.00 0.00 0.00 33.01 31.96 3c5k s GLN 42 CO 0.00 -0.73 -0.20 0.08 -2.12 0.00 0.00 175.29 172.32 3c5k s VAL 43 N -2.11 2.45 0.05 1.09 1.01 -1.26 -1.16 120.40 120.47 3c5k s VAL 43 Ca 0.67 -0.89 -0.09 0.00 0.00 0.00 0.00 61.98 61.67 3c5k s VAL 43 Cb -0.18 -1.96 0.00 0.00 0.00 0.00 0.00 36.38 34.23 3c5k s VAL 43 CO 0.29 0.55 0.19 -0.31 0.00 0.00 0.00 175.10 175.82 3c5k s TYR 44 N 0.21 0.09 0.52 5.22 2.02 -0.62 -0.47 117.35 124.32 3c5k s TYR 44 Ca -0.12 -0.38 -0.17 0.00 -0.37 0.00 0.00 57.07 56.03 3c5k s TYR 44 Cb -0.16 -0.05 -0.08 0.00 -0.40 0.00 0.00 41.96 41.27 3c5k s TYR 44 CO 0.07 -0.46 0.99 0.00 -1.57 0.00 0.00 175.55 174.58 3c5k s GLY 46 N -2.88 1.60 0.55 0.00 0.00 0.66 -1.01 107.32 106.25 3c5k s GLY 46 Ca 0.60 -0.64 0.23 0.00 0.00 0.00 0.00 44.72 44.91 3c5k s GLY 46 CO 0.29 -0.04 2.17 0.07 0.00 0.00 0.00 173.10 175.59 3c5k h ARG 47 N -1.56 0.00 0.00 2.90 0.11 -1.90 -1.79 114.38 112.13 3c5k h ARG 47 Ca -0.49 0.00 -0.03 0.00 0.10 0.00 0.00 59.98 59.56 3c5k h ARG 47 Cb 1.32 0.00 -0.00 0.00 1.11 0.00 0.00 29.97 32.39 3c5k h ARG 47 CO 0.57 0.00 -0.16 1.88 0.10 0.00 0.00 179.97 182.36 3c5k h TYR 48 N 0.00 0.00 0.00 4.08 0.05 -1.94 -3.38 116.97 115.78 3c5k h TYR 48 Ca 0.03 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.81 3c5k h TYR 48 Cb 0.12 0.00 0.00 0.00 1.01 0.00 0.00 36.73 37.86 3c5k h TYR 48 CO 0.00 0.16 0.00 -0.89 -1.05 0.00 0.00 178.16 176.38 3c5k n ILE 49 N -3.22 0.00 0.16 -2.88 2.08 -0.83 -4.96 119.36 109.72 3c5k n ILE 49 Ca 0.02 0.00 0.03 0.00 0.56 0.00 0.00 62.75 63.36 3c5k n ILE 49 Cb 0.48 0.00 0.04 0.00 -0.75 0.00 0.00 39.64 39.41 3c5k n ILE 49 CO 0.00 0.00 0.00 0.59 0.56 0.00 0.00 176.55 177.70 3c5k n ASN 50 N 0.00 1.78 -2.54 4.38 3.02 -1.22 -5.01 115.26 115.68 3c5k n ASN 50 Ca 0.00 -1.46 -0.19 0.00 -0.03 0.00 0.00 54.58 52.90 3c5k n ASN 50 Cb 0.00 -0.03 0.02 0.00 -0.61 0.00 0.00 39.78 39.16 3c5k n ASN 50 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3c5k n GLY 51 N 0.27 -0.36 0.16 7.41 0.00 -0.74 -4.93 105.19 107.00 3c5k n GLY 51 Ca 0.04 -0.02 0.02 0.00 0.00 0.00 0.00 46.02 46.07 3c5k n GLY 51 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 173.32 173.77 3c5k h HIS 52 N -1.00 0.00 -0.47 1.61 3.86 -1.63 -2.42 115.15 115.09 3c5k h HIS 52 Ca -0.46 0.00 -0.12 0.00 -1.16 0.00 0.00 60.37 58.63 3c5k h HIS 52 Cb 1.32 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 29.77 3c5k h HIS 52 CO 0.46 0.50 -0.19 1.98 0.86 0.00 0.00 177.93 181.55 3c5k h MET 53 N 0.00 0.93 -0.66 2.45 4.05 -1.28 0.04 114.93 120.46 3c5k h MET 53 Ca -0.01 -0.37 -0.05 0.00 -0.28 0.00 0.00 59.70 59.00 3c5k h MET 53 Cb 0.98 -0.04 -0.03 0.00 -0.80 0.00 0.00 31.60 31.71 3c5k h MET 53 CO 0.07 1.03 0.22 1.25 0.23 0.00 0.00 176.91 179.71 3c5k h LEU 54 N 0.81 0.93 -0.65 3.39 5.85 -1.75 0.59 115.31 124.47 3c5k h LEU 54 Ca 0.11 -0.15 -0.03 0.00 0.84 0.00 0.00 57.88 58.65 3c5k h LEU 54 Cb 0.74 -0.24 -0.03 0.00 0.37 0.00 0.00 40.66 41.50 3c5k h LEU 54 CO 0.06 0.86 0.30 -0.61 -0.34 0.00 0.00 178.44 178.71 3c5k h GLN 55 N 0.97 0.95 -0.57 1.25 4.15 -1.19 -1.30 115.11 119.37 3c5k h GLN 55 Ca 0.22 -0.15 -0.03 0.00 0.77 0.00 0.00 58.65 59.46 3c5k h GLN 55 Cb 0.25 -0.17 -0.03 0.00 0.21 0.00 0.00 27.48 27.75 3c5k h GLN 55 CO -0.01 0.77 0.24 1.25 -1.93 0.00 0.00 178.83 179.14 3c5k h HIS 56 N 0.91 0.86 -0.57 3.99 2.76 -0.24 -0.95 115.15 121.90 3c5k h HIS 56 Ca 0.22 -0.06 0.06 0.00 -2.20 0.00 0.00 60.37 58.40 3c5k h HIS 56 Cb 0.14 -0.26 -0.06 0.00 1.55 0.00 0.00 27.41 28.78 3c5k h HIS 56 CO 0.01 0.68 0.27 1.25 -1.30 0.00 0.00 177.93 178.84 3c5k h HIS 57 N 0.78 0.49 -0.85 5.26 -0.00 -0.64 -0.86 115.15 119.33 3c5k h HIS 57 Ca 0.19 0.02 -0.03 0.00 -0.00 0.00 0.00 60.37 60.56 3c5k h HIS 57 Cb 0.18 -0.13 -0.04 0.00 -0.00 0.00 0.00 27.41 27.42 3c5k h HIS 57 CO 0.01 0.20 0.42 0.78 -0.00 0.00 0.00 177.93 179.34 3c5k h GLY 58 N 0.51 1.32 0.22 5.26 0.00 -0.61 0.29 103.07 110.05 3c5k h GLY 58 Ca 0.27 -0.65 0.00 0.00 0.00 0.00 0.00 47.33 46.95 3c5k h GLY 58 CO -0.21 0.62 -0.44 1.16 0.00 0.00 0.00 176.54 177.66 3c5k n ASN 59 N -4.30 1.04 -0.00 0.19 0.23 -0.42 -4.32 115.26 107.68 3c5k n ASN 59 Ca 0.09 -0.83 -0.00 0.00 -0.53 0.00 0.00 54.58 53.30 3c5k n ASN 59 Cb 0.14 0.32 -0.01 0.00 -2.08 0.00 0.00 39.78 38.15 3c5k n ASN 59 CO 0.00 0.00 0.00 -1.54 -0.93 0.00 0.00 177.26 174.79 3c5k n SER 60 N -0.88 4.74 0.00 0.53 3.41 -0.36 -5.02 113.62 116.04 3c5k n SER 60 Ca 0.09 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.70 3c5k n SER 60 Cb 0.36 0.61 0.00 0.00 -0.26 0.00 0.00 64.21 64.92 3c5k n SER 60 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3c5k n GLY 61 N 2.86 0.57 3.72 5.00 0.00 0.10 -5.01 105.19 112.43 3c5k n GLY 61 Ca -0.02 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.59 3c5k n GLY 61 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3c5k s HIS 62 N -2.49 3.10 -0.07 1.61 3.76 -1.25 -4.94 115.29 115.02 3c5k s HIS 62 Ca 0.00 0.70 -0.17 0.00 -0.15 0.00 0.00 55.06 55.44 3c5k s HIS 62 Cb 0.00 -3.87 -0.30 0.00 1.11 0.00 0.00 32.58 29.52 3c5k s HIS 62 CO 0.00 -3.19 0.71 -1.00 -0.85 0.00 0.00 174.74 170.41 3c5k h PRO 63 N 6.78 0.31 -5.78 8.40 0.13 -1.93 -3.42 132.00 136.48 3c5k h PRO 63 Ca -0.43 -0.53 -0.68 0.00 -0.87 0.00 0.00 66.00 63.49 3c5k h PRO 63 Cb 1.21 0.20 -0.31 0.00 0.13 0.00 0.00 31.00 32.22 3c5k h PRO 63 CO 0.90 1.25 -0.86 -0.51 -0.23 0.00 0.00 178.00 178.55 3c5k s LEU 64 N -7.62 2.19 0.04 1.56 1.43 -1.26 -1.44 118.68 113.58 3c5k s LEU 64 Ca -0.16 -0.48 0.03 0.00 -1.03 0.00 0.00 54.13 52.49 3c5k s LEU 64 Cb 0.03 -1.42 -0.02 0.00 0.03 0.00 0.00 46.19 44.81 3c5k s LEU 64 CO 0.81 0.22 -0.10 0.68 0.23 0.00 0.00 176.35 178.19 3c5k s VAL 65 N -0.01 0.80 -0.16 -1.59 -7.23 -0.40 -0.95 120.40 110.86 3c5k s VAL 65 Ca -0.07 -1.01 -0.02 0.00 -1.81 0.00 0.00 61.98 59.07 3c5k s VAL 65 Cb -0.15 -0.78 -0.02 0.00 0.56 0.00 0.00 36.38 35.99 3c5k s VAL 65 CO 0.05 -0.19 -0.07 -0.22 -0.31 0.00 0.00 175.10 174.36 3c5k s LEU 66 N -1.33 2.99 0.02 1.32 2.96 0.16 -0.87 118.68 123.95 3c5k s LEU 66 Ca -0.04 -0.25 -0.30 0.00 -0.22 0.00 0.00 54.13 53.32 3c5k s LEU 66 Cb -0.08 -1.71 -0.05 0.00 0.50 0.00 0.00 46.19 44.84 3c5k s LEU 66 CO 0.01 0.14 1.21 -0.55 -1.32 0.00 0.00 176.35 175.83 3c5k s SER 67 N 0.54 7.06 0.00 3.68 0.15 -0.16 -0.60 113.70 124.36 3c5k s SER 67 Ca -0.05 1.96 0.31 0.00 0.70 0.00 0.00 55.95 58.87 3c5k s SER 67 Cb -0.15 -2.57 1.78 0.00 -1.71 0.00 0.00 66.02 63.37 3c5k s SER 67 CO 0.03 -0.51 2.17 -1.22 1.20 0.00 0.00 173.24 174.91 3c5k n TYR 68 N 4.37 0.00 -0.08 3.44 4.01 -0.37 -1.54 117.16 126.98 3c5k n TYR 68 Ca 0.10 0.00 -0.12 0.00 -0.16 0.00 0.00 57.90 57.72 3c5k n TYR 68 Cb 0.46 -0.07 -0.06 0.00 -0.31 0.00 0.00 39.34 39.36 3c5k n TYR 68 CO 0.00 0.00 0.00 0.82 -0.46 0.00 0.00 176.86 177.22 3c5k h ILE 69 N 0.08 0.49 0.00 -0.72 2.04 -1.92 -3.44 117.51 114.04 3c5k h ILE 69 Ca 0.00 -1.57 0.00 0.00 1.00 0.00 0.00 64.86 64.29 3c5k h ILE 69 Cb 0.09 1.13 0.00 0.00 -0.74 0.00 0.00 36.82 37.29 3c5k h ILE 69 CO 0.00 0.16 0.00 -0.90 0.00 0.00 0.00 178.15 177.41 3c5k n ASP 70 N -4.55 1.65 -2.27 1.72 5.75 -1.25 -5.01 116.55 112.58 3c5k n ASP 70 Ca -0.17 -1.72 -0.19 0.00 -0.01 0.00 0.00 54.79 52.69 3c5k n ASP 70 Cb 0.43 0.00 -0.02 0.00 -1.03 0.00 0.00 41.12 40.50 3c5k n ASP 70 CO 0.00 0.00 0.00 0.18 -0.11 0.00 0.00 177.20 177.27 3c5k n LEU 71 N -0.36 -1.72 -4.86 -2.12 4.77 -0.59 -4.99 117.00 107.12 3c5k n LEU 71 Ca 0.00 0.10 -0.32 0.00 -0.03 0.00 0.00 56.01 55.76 3c5k n LEU 71 Cb 0.21 -2.77 -0.05 0.00 -2.33 0.00 0.00 43.42 38.48 3c5k n LEU 71 CO 0.00 -0.33 0.38 -0.94 -1.33 0.00 0.00 177.39 175.17 3c5k s SER 72 N -2.14 6.67 -0.17 -1.43 1.04 -1.26 -4.80 113.70 111.61 3c5k s SER 72 Ca 0.00 1.16 -0.03 0.00 0.48 0.00 0.00 55.95 57.56 3c5k s SER 72 Cb 0.00 -2.32 -0.02 0.00 0.10 0.00 0.00 66.02 63.78 3c5k s SER 72 CO 0.00 -0.23 -0.06 0.00 0.98 0.00 0.00 173.24 173.93 3c5k s ALA 73 N -2.06 2.87 -0.07 5.32 0.00 -1.26 -0.99 121.76 125.56 3c5k s ALA 73 Ca 0.52 -0.93 0.03 0.00 0.00 0.00 0.00 51.96 51.58 3c5k s ALA 73 Cb -0.10 -1.54 -0.02 0.00 0.00 0.00 0.00 23.12 21.46 3c5k s ALA 73 CO 0.22 0.03 -0.17 -0.46 0.00 0.00 0.00 175.76 175.38 3c5k s TRP 74 N 0.69 2.65 -0.25 0.00 -0.11 -0.04 -1.16 118.94 120.70 3c5k s TRP 74 Ca -0.03 -0.47 -0.09 0.00 1.22 0.00 0.00 56.10 56.73 3c5k s TRP 74 Cb -0.15 -1.68 -0.04 0.00 -1.50 0.00 0.00 33.47 30.11 3c5k s TRP 74 CO 0.02 -0.05 0.11 0.00 -4.62 0.00 0.00 176.95 172.41 3c5k h TYR 76 N 8.12 0.00 0.02 0.00 0.05 -1.56 0.44 116.97 124.04 3c5k h TYR 76 Ca -0.37 0.00 -0.00 0.00 0.05 0.00 0.00 58.73 58.41 3c5k h TYR 76 Cb 1.18 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.92 3c5k h TYR 76 CO 0.69 0.24 -0.01 1.88 -1.05 0.00 0.00 178.16 179.91 3c5k h TYR 77 N 0.00 -0.02 0.00 4.88 0.05 -1.94 -3.33 116.97 116.60 3c5k h TYR 77 Ca -0.00 -0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.78 3c5k h TYR 77 Cb 0.70 0.01 0.00 0.00 1.01 0.00 0.00 36.73 38.45 3c5k h TYR 77 CO 0.00 0.72 0.00 0.00 -1.05 0.00 0.00 178.16 177.83 3c5k n GLN 79 N -2.51 -4.07 -3.52 0.00 6.02 0.13 -4.99 117.38 108.46 3c5k n GLN 79 Ca 0.04 0.63 -0.14 0.00 -0.01 0.00 0.00 57.00 57.52 3c5k n GLN 79 Cb 0.37 -5.11 -0.04 0.00 1.02 0.00 0.00 30.24 26.48 3c5k n GLN 79 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 3c5k s ALA 80 N -3.59 -1.48 0.37 -1.58 0.00 -1.16 -5.02 121.76 109.30 3c5k s ALA 80 Ca 0.13 0.66 -0.24 0.00 0.00 0.00 0.00 51.96 52.50 3c5k s ALA 80 Cb -0.03 0.50 -0.10 0.00 0.00 0.00 0.00 23.12 23.49 3c5k s ALA 80 CO 0.81 -0.58 0.97 0.71 0.00 0.00 0.00 175.76 177.67 3c5k s TYR 81 N -2.74 3.49 -0.01 0.00 2.02 -1.26 -1.18 117.35 117.67 3c5k s TYR 81 Ca -0.04 1.70 0.04 0.00 -0.37 0.00 0.00 57.07 58.41 3c5k s TYR 81 Cb -0.00 -2.95 -0.01 0.00 -0.40 0.00 0.00 41.96 38.60 3c5k s TYR 81 CO -0.04 -0.07 -0.13 0.08 -1.57 0.00 0.00 175.55 173.81 3c5k s VAL 82 N -1.78 1.06 -0.04 0.71 1.01 -0.31 -0.50 120.40 120.55 3c5k s VAL 82 Ca 0.55 -0.57 0.01 0.00 0.00 0.00 0.00 61.98 61.97 3c5k s VAL 82 Cb -0.17 -0.89 0.02 0.00 0.00 0.00 0.00 36.38 35.34 3c5k s VAL 82 CO 0.22 0.30 -0.06 -2.28 0.00 0.00 0.00 175.10 173.28 3c5k s HIS 83 N -0.30 0.79 0.18 5.22 2.46 0.48 -4.27 115.29 119.84 3c5k s HIS 83 Ca 0.05 -0.21 -0.22 0.00 0.47 0.00 0.00 55.06 55.14 3c5k s HIS 83 Cb -0.05 -0.65 0.06 0.00 -0.13 0.00 0.00 32.58 31.81 3c5k s HIS 83 CO -0.00 -0.16 0.61 -1.58 -2.47 0.00 0.00 174.74 171.14 3c5k s HIS 84 N 0.67 -0.45 0.41 3.88 5.04 -1.26 -4.16 115.29 119.42 3c5k s HIS 84 Ca -0.09 0.19 0.20 0.00 -1.54 0.00 0.00 55.06 53.81 3c5k s HIS 84 Cb -0.13 0.57 1.14 0.00 0.04 0.00 0.00 32.58 34.20 3c5k s HIS 84 CO 0.00 -0.92 1.79 0.37 -2.34 0.00 0.00 174.74 173.65 3c5k h GLN 85 N 2.02 0.35 0.00 2.88 5.75 -2.01 -0.66 115.11 123.43 3c5k h GLN 85 Ca -0.31 -0.02 0.00 0.00 -0.15 0.00 0.00 58.65 58.17 3c5k h GLN 85 Cb 1.30 -0.08 0.00 0.00 1.07 0.00 0.00 27.48 29.77 3c5k h GLN 85 CO 0.36 0.23 0.00 0.00 -2.65 0.00 0.00 178.83 176.77 3c5k h ALA 86 N 1.60 1.00 -0.05 3.38 0.00 -1.97 -2.23 119.26 121.00 3c5k h ALA 86 Ca 0.56 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.47 3c5k h ALA 86 Cb 1.49 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.28 3c5k h ALA 86 CO -0.25 0.00 0.00 1.28 0.00 0.00 0.00 179.25 180.28 3c5k n LEU 87 N -2.86 2.67 -0.08 0.00 4.77 -0.26 -4.60 117.00 116.64 3c5k n LEU 87 Ca -0.02 -1.04 -0.13 0.00 -0.03 0.00 0.00 56.01 54.80 3c5k n LEU 87 Cb 0.13 -0.01 -0.05 0.00 -2.33 0.00 0.00 43.42 41.15 3c5k n LEU 87 CO 0.20 0.47 0.63 0.25 -1.33 0.00 0.00 177.39 177.60 3c5k h LEU 88 N 3.84 0.58 0.26 2.23 5.85 -1.40 -2.26 115.31 124.41 3c5k h LEU 88 Ca 0.00 -0.44 0.00 0.00 0.84 0.00 0.00 57.88 58.28 3c5k h LEU 88 Cb 0.82 -0.16 -0.02 0.00 0.37 0.00 0.00 40.66 41.67 3c5k h LEU 88 CO 0.00 0.90 -0.28 0.44 -0.34 0.00 0.00 178.44 179.16 3c5k h ASP 89 N 0.27 -0.76 -0.80 1.25 3.32 -1.81 -0.84 116.42 117.04 3c5k h ASP 89 Ca 0.05 0.07 -0.03 0.00 0.02 0.00 0.00 57.03 57.14 3c5k h ASP 89 Cb 0.70 0.26 -0.04 0.00 0.22 0.00 0.00 39.33 40.48 3c5k h ASP 89 CO 0.05 -0.40 0.39 -0.37 -1.72 0.00 0.00 179.24 177.18 3c5k h VAL 90 N -0.58 1.25 -0.48 -1.35 -1.51 -1.86 -1.37 116.25 110.35 3c5k h VAL 90 Ca -0.00 -0.70 -0.09 0.00 -1.23 0.00 0.00 66.70 64.67 3c5k h VAL 90 Cb 0.54 0.24 -0.02 0.00 -2.13 0.00 0.00 31.29 29.92 3c5k h VAL 90 CO -0.07 0.30 -0.06 0.11 -1.23 0.00 0.00 177.57 176.61 3c5k h LYS 91 N 1.13 0.85 -0.16 5.19 1.57 -1.22 -0.66 116.57 123.27 3c5k h LYS 91 Ca 0.28 -0.27 -0.06 0.00 -1.87 0.00 0.00 60.65 58.73 3c5k h LYS 91 Cb 0.12 -0.08 -0.00 0.00 0.08 0.00 0.00 32.23 32.35 3c5k h LYS 91 CO -0.03 0.89 -0.14 -0.91 -0.57 0.00 0.00 179.45 178.68 3c5k h ASN 92 N 0.78 0.39 -0.79 0.86 2.35 -0.90 -0.90 115.58 117.37 3c5k h ASN 92 Ca 0.14 -0.47 -0.04 0.00 -0.55 0.00 0.00 56.30 55.37 3c5k h ASN 92 Cb 0.55 -0.11 -0.03 0.00 0.05 0.00 0.00 38.32 38.78 3c5k h ASN 92 CO 0.03 0.78 0.32 0.40 -1.65 0.00 0.00 177.43 177.31 3c5k h ILE 93 N 0.01 1.26 -0.24 2.81 1.08 -1.20 -0.73 117.51 120.50 3c5k h ILE 93 Ca 0.03 -0.81 -0.01 0.00 -0.39 0.00 0.00 64.86 63.67 3c5k h ILE 93 Cb 0.66 0.32 -0.01 0.00 -3.07 0.00 0.00 36.82 34.72 3c5k h ILE 93 CO 0.04 0.33 0.11 0.00 -0.69 0.00 0.00 178.15 177.94 3c5k h ALA 94 N 1.17 0.31 -0.75 1.87 0.00 -1.11 -1.77 119.26 118.98 3c5k h ALA 94 Ca 0.26 -0.10 0.05 0.00 0.00 0.00 0.00 54.91 55.13 3c5k h ALA 94 Cb 0.21 -0.09 -0.06 0.00 0.00 0.00 0.00 17.79 17.85 3c5k h ALA 94 CO -0.02 -0.12 0.45 1.25 0.00 0.00 0.00 179.25 180.81 3c5k h HIS 95 N 0.25 0.83 -0.68 0.00 -0.00 -0.90 -0.23 115.15 114.42 3c5k h HIS 95 Ca 0.08 0.03 -0.06 0.00 -0.00 0.00 0.00 60.37 60.42 3c5k h HIS 95 Cb 0.14 -0.27 -0.03 0.00 -0.00 0.00 0.00 27.41 27.26 3c5k h HIS 95 CO -0.02 0.43 0.19 1.96 -0.00 0.00 0.00 177.93 180.49 3c5k h GLN 96 N 0.84 1.07 -0.22 5.26 4.20 -0.93 -0.45 115.11 124.88 3c5k h GLN 96 Ca 0.33 -0.23 -0.15 0.00 0.06 0.00 0.00 58.65 58.65 3c5k h GLN 96 Cb 0.14 -0.15 -0.01 0.00 0.30 0.00 0.00 27.48 27.76 3c5k h GLN 96 CO -0.16 0.93 -0.48 -0.97 -0.67 0.00 0.00 178.83 177.48 3c5k h ASN 97 N 1.02 0.62 0.02 1.46 -0.73 -0.89 -1.29 115.58 115.79 3c5k h ASN 97 Ca 0.22 -0.30 -0.08 0.00 1.87 0.00 0.00 56.30 58.01 3c5k h ASN 97 Cb 0.33 -0.18 0.01 0.00 0.27 0.00 0.00 38.32 38.75 3c5k h ASN 97 CO -0.00 1.00 -0.32 0.50 -0.37 0.00 0.00 177.43 178.24 3c5k h LYS 98 N 0.45 0.18 -0.01 6.67 3.64 -0.77 -3.39 116.57 123.36 3c5k h LYS 98 Ca 0.02 -0.22 0.00 0.00 -1.27 0.00 0.00 60.65 59.18 3c5k h LYS 98 Cb 1.00 0.07 0.00 0.00 -0.41 0.00 0.00 32.23 32.89 3c5k h LYS 98 CO 0.09 0.99 -0.37 1.19 -2.27 0.00 0.00 179.45 179.08 3c5k n PHE 99 N -4.45 0.00 -1.20 1.91 3.72 -0.20 -5.09 117.46 112.14 3c5k n PHE 99 Ca -0.10 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.30 3c5k n PHE 99 Cb 0.56 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.10 3c5k n PHE 99 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3c5k n GLY 100 N 1.10 -2.45 0.10 1.37 0.00 -0.49 -4.66 105.19 100.16 3c5k n GLY 100 Ca 0.04 -1.62 0.03 0.00 0.00 0.00 0.00 46.02 44.47 3c5k n GLY 100 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 3c5k h GLU 101 N 0.00 0.00 -3.09 1.61 3.07 -1.92 -3.41 114.58 110.83 3c5k h GLU 101 Ca 0.00 0.00 -0.65 0.00 -0.50 0.00 0.00 59.36 58.21 3c5k h GLU 101 Cb 0.00 0.00 0.03 0.00 -0.84 0.00 0.00 28.75 27.94 3c5k h GLU 101 CO 0.00 0.22 3.74 -3.47 -1.40 0.00 0.00 179.01 178.10 3c5k n ASP 102 N -2.85 8.24 -4.25 1.42 2.03 -1.26 -4.88 116.55 115.00 3c5k n ASP 102 Ca -0.07 -2.57 -0.22 0.00 0.52 0.00 0.00 54.79 52.46 3c5k n ASP 102 Cb 0.76 -1.53 -0.12 0.00 -0.72 0.00 0.00 41.12 39.51 3c5k n ASP 102 CO 0.00 0.00 0.00 -0.04 -1.92 0.00 0.00 177.20 175.24 3c5k s MET 103 N 2.32 1.02 0.00 -0.67 -1.94 -1.26 -5.04 119.30 113.73 3c5k s MET 103 Ca 0.67 -1.11 0.24 0.00 -1.71 0.00 0.00 55.69 53.78 3c5k s MET 103 Cb 0.17 -1.18 1.05 0.00 2.01 0.00 0.00 34.83 36.88 3c5k s MET 103 CO -0.06 0.27 1.78 -0.35 -0.01 0.00 0.00 175.02 176.65 3c5k n PRO 104 N 1.09 0.01 -2.27 2.03 -0.04 -1.26 -4.85 135.00 129.70 3c5k n PRO 104 Ca -0.20 0.08 -0.42 0.00 -0.04 0.00 0.00 63.50 62.92 3c5k n PRO 104 Cb 0.54 -1.50 -0.03 0.00 -0.04 0.00 0.00 33.50 32.47 3c5k n PRO 104 CO 0.00 0.00 0.00 -1.01 -0.04 0.00 0.00 175.50 174.45 3c5k s HIS 105 N -2.99 2.86 -0.02 0.54 3.76 -1.26 -4.95 115.29 113.22 3c5k s HIS 105 Ca 0.12 0.87 -0.34 0.00 -0.15 0.00 0.00 55.06 55.55 3c5k s HIS 105 Cb 0.16 -3.62 -0.13 0.00 1.11 0.00 0.00 32.58 30.10 3c5k s HIS 105 CO 0.44 -2.27 1.77 -2.30 -0.85 0.00 0.00 174.74 171.53 3c5k n PRO 106 N 5.54 2.09 0.00 8.40 -0.02 -1.26 -5.15 135.00 144.60 3c5k n PRO 106 Ca 0.13 0.76 0.13 0.00 -2.02 0.00 0.00 63.50 62.51 3c5k n PRO 106 Cb 0.44 -2.57 0.39 0.00 -0.02 0.00 0.00 33.50 31.74 3c5k n PRO 106 CO 0.00 0.00 0.00 -2.39 1.98 0.00 0.00 175.50 175.09