#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ctf s SER 2 N 0.00 6.35 -0.20 1.61 0.01 -1.26 -5.05 113.70 115.16 2ctf s SER 2 Ca 0.00 0.74 -0.16 0.00 1.31 0.00 0.00 55.95 57.84 2ctf s SER 2 Cb 0.00 -2.16 -0.07 0.00 0.21 0.00 0.00 66.02 64.00 2ctf s SER 2 CO 0.00 -0.37 -0.34 -1.54 0.41 0.00 0.00 173.24 171.40 2ctf n SER 3 N -1.66 1.91 0.00 2.44 3.41 -1.26 -5.13 113.62 113.33 2ctf n SER 3 Ca -0.02 0.32 0.00 0.00 -0.26 0.00 0.00 58.87 58.92 2ctf n SER 3 Cb 0.55 -0.74 0.00 0.00 -0.26 0.00 0.00 64.21 63.76 2ctf n SER 3 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2ctf n GLY 4 N 1.47 -3.04 3.34 5.00 0.00 -1.26 -4.80 105.19 105.89 2ctf n GLY 4 Ca -0.25 -1.77 -0.45 0.00 0.00 0.00 0.00 46.02 43.55 2ctf n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2ctf s SER 5 N -1.41 6.18 -0.05 1.61 0.01 -1.26 -5.01 113.70 113.77 2ctf s SER 5 Ca 0.00 -1.63 -0.29 0.00 1.31 0.00 0.00 55.95 55.34 2ctf s SER 5 Cb 0.00 -2.20 0.10 0.00 0.21 0.00 0.00 66.02 64.13 2ctf s SER 5 CO 0.00 -0.79 0.89 -0.55 0.41 0.00 0.00 173.24 173.20 2ctf s SER 6 N 3.26 -0.40 -0.39 2.44 0.15 -1.26 -5.14 113.70 112.37 2ctf s SER 6 Ca 0.03 0.18 -0.16 0.00 0.70 0.00 0.00 55.95 56.70 2ctf s SER 6 Cb -0.28 0.38 0.01 0.00 -1.71 0.00 0.00 66.02 64.42 2ctf s SER 6 CO 0.04 -0.56 0.38 -0.83 1.20 0.00 0.00 173.24 173.47 2ctf s GLY 7 N -1.99 1.92 -0.82 9.45 0.00 -1.26 -5.01 107.32 109.60 2ctf s GLY 7 Ca 0.01 -1.43 0.00 0.00 0.00 0.00 0.00 44.72 43.31 2ctf s GLY 7 CO -0.05 1.04 0.68 -1.83 0.00 0.00 0.00 173.10 172.94 2ctf s GLU 8 N 1.99 3.00 1.26 2.90 -1.05 -1.26 -5.08 118.70 120.46 2ctf s GLU 8 Ca 0.10 -3.26 -0.21 0.00 -0.15 0.00 0.00 54.97 51.46 2ctf s GLU 8 Cb -0.17 -3.79 0.31 0.00 -0.44 0.00 0.00 34.13 30.04 2ctf s GLU 8 CO 0.12 -1.26 1.11 -1.25 0.95 0.00 0.00 175.26 174.93 2ctf s PRO 9 N -1.31 -1.66 0.02 -4.83 0.04 -1.26 -5.09 135.00 120.91 2ctf s PRO 9 Ca 0.26 -0.22 -0.02 0.00 0.04 0.00 0.00 61.00 61.06 2ctf s PRO 9 Cb -0.07 -1.56 -0.01 0.00 0.04 0.00 0.00 34.50 32.89 2ctf s PRO 9 CO -0.13 -3.97 0.02 -1.83 0.04 0.00 0.00 177.00 171.13 2ctf s GLU 10 N -5.53 0.39 -0.30 4.56 -1.05 -1.26 -5.14 118.70 110.37 2ctf s GLU 10 Ca 0.72 -0.59 -0.08 0.00 -0.15 0.00 0.00 54.97 54.88 2ctf s GLU 10 Cb -0.07 0.15 0.18 0.00 -0.44 0.00 0.00 34.13 33.94 2ctf s GLU 10 CO 0.56 -0.08 0.81 0.21 0.95 0.00 0.00 175.26 177.71 2ctf s LYS 11 N -1.61 0.40 0.14 -4.83 2.36 -1.26 -5.17 119.74 109.76 2ctf s LYS 11 Ca -0.14 0.76 -0.09 0.00 -2.55 0.00 0.00 55.97 53.95 2ctf s LYS 11 Cb -0.08 0.43 -0.01 0.00 -1.05 0.00 0.00 37.83 37.13 2ctf s LYS 11 CO -0.01 -0.38 0.26 -0.48 1.55 0.00 0.00 175.35 176.30 2ctf s LEU 12 N 2.85 1.07 -0.25 5.43 0.05 -1.26 -5.03 118.68 121.54 2ctf s LEU 12 Ca 0.08 -0.79 -0.08 0.00 0.05 0.00 0.00 54.13 53.39 2ctf s LEU 12 Cb -0.12 1.17 0.01 0.00 -2.05 0.00 0.00 46.19 45.20 2ctf s LEU 12 CO -0.17 -0.85 0.29 0.61 -0.55 0.00 0.00 176.35 175.69 2ctf n GLY 13 N -0.17 -1.63 0.50 -3.48 0.00 -1.26 -5.03 105.19 94.11 2ctf n GLY 13 Ca -0.10 0.62 -0.16 0.00 0.00 0.00 0.00 46.02 46.38 2ctf n GLY 13 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 2ctf n GLN 14 N -0.21 0.33 -3.90 1.61 7.27 -1.26 -4.87 117.38 116.36 2ctf n GLN 14 Ca 0.06 0.14 -0.29 0.00 0.07 0.00 0.00 57.00 56.98 2ctf n GLN 14 Cb 0.22 -1.07 -0.12 0.00 2.41 0.00 0.00 30.24 31.69 2ctf n GLN 14 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 2ctf s ALA 15 N -2.29 3.73 -0.87 1.69 0.00 -1.26 -4.98 121.76 117.78 2ctf s ALA 15 Ca -0.22 -3.70 -0.07 0.00 0.00 0.00 0.00 51.96 47.97 2ctf s ALA 15 Cb 0.08 -2.21 -0.11 0.00 0.00 0.00 0.00 23.12 20.88 2ctf s ALA 15 CO 0.28 -2.08 2.64 1.47 0.00 0.00 0.00 175.76 178.06 2ctf n LEU 16 N 2.27 5.93 -4.84 0.00 -0.00 -1.26 -4.91 117.00 114.20 2ctf n LEU 16 Ca 0.16 -3.28 -0.32 0.00 -0.00 0.00 0.00 56.01 52.58 2ctf n LEU 16 Cb 0.34 -1.25 0.01 0.00 -0.00 0.00 0.00 43.42 42.52 2ctf n LEU 16 CO 0.29 1.28 0.71 0.42 -0.00 0.00 0.00 177.39 180.09 2ctf s THR 17 N 2.40 4.36 -0.33 1.47 -4.23 -1.26 -5.05 115.64 113.00 2ctf s THR 17 Ca 0.53 0.91 0.01 0.00 -1.18 0.00 0.00 61.69 61.97 2ctf s THR 17 Cb 0.17 -3.64 0.10 0.00 1.34 0.00 0.00 72.50 70.47 2ctf s THR 17 CO -0.03 -0.86 0.08 -1.61 -0.54 0.00 0.00 174.62 171.65 2ctf s GLU 18 N -4.70 1.07 0.24 3.99 2.02 -1.26 -5.11 118.70 114.95 2ctf s GLU 18 Ca 0.58 -1.45 -0.30 0.00 0.02 0.00 0.00 54.97 53.82 2ctf s GLU 18 Cb -0.12 -2.54 -0.09 0.00 0.10 0.00 0.00 34.13 31.48 2ctf s GLU 18 CO 0.46 -0.97 1.18 0.14 0.02 0.00 0.00 175.26 176.09 2ctf s VAL 19 N 1.27 3.40 -0.20 2.63 -7.23 -1.26 -5.03 120.40 113.98 2ctf s VAL 19 Ca 0.10 1.29 -0.03 0.00 -1.81 0.00 0.00 61.98 61.53 2ctf s VAL 19 Cb -0.18 -3.82 0.06 0.00 0.56 0.00 0.00 36.38 33.00 2ctf s VAL 19 CO -0.17 0.26 0.04 -0.72 -0.31 0.00 0.00 175.10 174.20 2ctf s TYR 20 N -0.61 1.01 -0.24 2.82 1.13 -1.26 -5.10 117.35 115.10 2ctf s TYR 20 Ca 0.49 -0.88 -0.01 0.00 -1.41 0.00 0.00 57.07 55.26 2ctf s TYR 20 Cb -0.34 -1.04 0.07 0.00 -1.10 0.00 0.00 41.96 39.56 2ctf s TYR 20 CO 0.41 -0.62 0.04 0.00 -2.51 0.00 0.00 175.55 172.86 2ctf s ALA 21 N 1.86 1.37 -1.19 9.51 0.00 -1.26 -5.06 121.76 127.00 2ctf s ALA 21 Ca -0.00 -1.14 -0.20 0.00 0.00 0.00 0.00 51.96 50.62 2ctf s ALA 21 Cb -0.17 -1.37 0.05 0.00 0.00 0.00 0.00 23.12 21.63 2ctf s ALA 21 CO -0.09 -1.33 1.66 0.15 0.00 0.00 0.00 175.76 176.15 2ctf s LYS 22 N 1.68 3.71 -0.45 0.00 3.01 -1.26 -4.95 119.74 121.49 2ctf s LYS 22 Ca 0.01 -1.59 -0.29 0.00 -1.01 0.00 0.00 55.97 53.09 2ctf s LYS 22 Cb -0.18 -5.44 0.02 0.00 -1.01 0.00 0.00 37.83 31.22 2ctf s LYS 22 CO -0.13 -2.40 1.32 0.00 0.51 0.00 0.00 175.35 174.66 2ctf s ALA 23 N 5.13 3.06 -0.04 5.17 0.00 -1.26 -4.91 121.76 128.91 2ctf s ALA 23 Ca 0.53 -0.30 -0.07 0.00 0.00 0.00 0.00 51.96 52.12 2ctf s ALA 23 Cb 0.02 -3.94 -0.04 0.00 0.00 0.00 0.00 23.12 19.16 2ctf s ALA 23 CO 0.02 -2.39 0.35 -0.91 0.00 0.00 0.00 175.76 172.83 2ctf h ASN 24 N 10.23 -0.21 -1.64 0.00 -0.26 -2.08 -3.46 115.58 118.17 2ctf h ASN 24 Ca -0.26 0.01 -0.58 0.00 -0.56 0.00 0.00 56.30 54.91 2ctf h ASN 24 Cb 1.09 0.05 0.15 0.00 -1.06 0.00 0.00 38.32 38.55 2ctf h ASN 24 CO 1.11 0.12 -0.94 -1.54 -1.06 0.00 0.00 177.43 175.12 2ctf n SER 25 N -4.15 -2.87 -3.07 5.81 3.41 -1.26 -4.96 113.62 106.54 2ctf n SER 25 Ca -0.03 0.72 -0.13 0.00 -0.26 0.00 0.00 58.87 59.17 2ctf n SER 25 Cb 0.10 -0.82 0.08 0.00 -0.26 0.00 0.00 64.21 63.31 2ctf n SER 25 CO 0.00 0.00 0.00 2.22 -0.16 0.00 0.00 175.04 177.10 2ctf n PHE 26 N -1.06 -3.63 -4.16 7.33 1.16 -1.26 -5.06 117.46 110.77 2ctf n PHE 26 Ca 0.10 -0.70 -0.29 0.00 -1.87 0.00 0.00 57.45 54.69 2ctf n PHE 26 Cb 0.39 -0.44 -0.08 0.00 -1.61 0.00 0.00 39.48 37.74 2ctf n PHE 26 CO 0.00 0.00 0.00 0.99 -1.87 0.00 0.00 176.76 175.88 2ctf s THR 27 N -1.96 3.86 -0.20 1.97 2.01 0.68 -4.94 115.64 117.06 2ctf s THR 27 Ca 0.35 -1.18 0.00 0.00 0.31 0.00 0.00 61.69 61.18 2ctf s THR 27 Cb -0.01 -2.88 0.05 0.00 0.01 0.00 0.00 72.50 69.66 2ctf s THR 27 CO 0.24 0.03 -0.07 -0.69 -0.69 0.00 0.00 174.62 173.43 2ctf s VAL 28 N -1.46 1.46 0.21 3.82 1.01 -1.26 -1.26 120.40 122.91 2ctf s VAL 28 Ca 0.26 -0.97 0.07 0.00 0.00 0.00 0.00 61.98 61.35 2ctf s VAL 28 Cb -0.11 -1.62 -0.04 0.00 0.00 0.00 0.00 36.38 34.61 2ctf s VAL 28 CO 0.18 0.07 0.06 -0.55 0.00 0.00 0.00 175.10 174.86 2ctf s SER 29 N 1.46 4.97 0.05 3.32 0.15 -0.43 -4.92 113.70 118.30 2ctf s SER 29 Ca -0.02 -0.39 0.06 0.00 0.70 0.00 0.00 55.95 56.29 2ctf s SER 29 Cb -0.17 -1.11 -0.02 0.00 -1.71 0.00 0.00 66.02 63.01 2ctf s SER 29 CO -0.07 0.04 -0.16 -0.94 1.20 0.00 0.00 173.24 173.31 2ctf s SER 30 N -3.31 1.87 -0.11 5.45 1.04 -1.26 0.96 113.70 118.34 2ctf s SER 30 Ca 0.30 -0.51 0.01 0.00 0.48 0.00 0.00 55.95 56.24 2ctf s SER 30 Cb -0.08 -0.12 0.02 0.00 0.10 0.00 0.00 66.02 65.93 2ctf s SER 30 CO 0.21 0.04 -0.14 -0.69 0.98 0.00 0.00 173.24 173.64 2ctf s VAL 31 N -0.92 1.44 -0.12 5.02 1.01 -0.35 -4.98 120.40 121.50 2ctf s VAL 31 Ca 0.03 -0.60 -0.29 0.00 0.00 0.00 0.00 61.98 61.12 2ctf s VAL 31 Cb -0.08 -1.33 -0.05 0.00 0.00 0.00 0.00 36.38 34.92 2ctf s VAL 31 CO 0.02 0.43 1.75 0.00 0.00 0.00 0.00 175.10 177.29 2ctf s ALA 32 N 1.11 3.38 -0.12 5.51 0.00 -1.26 -1.31 121.76 129.06 2ctf s ALA 32 Ca -0.04 0.79 -0.16 0.00 0.00 0.00 0.00 51.96 52.55 2ctf s ALA 32 Cb -0.14 -3.84 0.04 0.00 0.00 0.00 0.00 23.12 19.18 2ctf s ALA 32 CO -0.03 -1.79 0.43 0.00 0.00 0.00 0.00 175.76 174.36 2ctf s ALA 33 N 5.02 -1.07 1.02 0.00 0.00 -1.25 -4.95 121.76 120.54 2ctf s ALA 33 Ca 0.78 1.03 -0.13 0.00 0.00 0.00 0.00 51.96 53.64 2ctf s ALA 33 Cb -0.31 -0.48 0.20 0.00 0.00 0.00 0.00 23.12 22.52 2ctf s ALA 33 CO 0.32 -0.23 1.09 -1.25 0.00 0.00 0.00 175.76 175.69 2ctf s PRO 34 N -0.23 0.29 -0.01 0.00 0.04 -1.26 -3.61 135.00 130.22 2ctf s PRO 34 Ca -0.04 0.47 0.04 0.00 0.04 0.00 0.00 61.00 61.51 2ctf s PRO 34 Cb -0.03 -1.72 -0.06 0.00 0.04 0.00 0.00 34.50 32.73 2ctf s PRO 34 CO 0.02 -2.82 0.08 -1.13 0.04 0.00 0.00 177.00 173.19 2ctf n SER 35 N -4.23 4.16 0.24 6.66 3.41 -1.26 -4.57 113.62 118.04 2ctf n SER 35 Ca 0.05 0.00 0.16 0.00 -0.26 0.00 0.00 58.87 58.82 2ctf n SER 35 Cb 0.57 1.17 0.83 0.00 -0.26 0.00 0.00 64.21 66.52 2ctf n SER 35 CO 0.00 0.00 0.00 4.11 -0.16 0.00 0.00 175.04 178.99 2ctf h TRP 36 N 0.00 0.00 -0.27 7.33 5.08 -1.98 -0.64 115.95 125.46 2ctf h TRP 36 Ca -0.00 0.00 -0.07 0.00 1.08 0.00 0.00 58.89 59.90 2ctf h TRP 36 Cb 0.17 0.00 -0.04 0.00 -3.00 0.00 0.00 29.16 26.29 2ctf h TRP 36 CO 0.00 0.00 -0.03 1.47 -1.28 0.00 0.00 178.44 178.60 2ctf n LEU 37 N -2.66 3.81 -0.03 0.11 -0.00 -1.26 -4.67 117.00 112.31 2ctf n LEU 37 Ca -0.01 -3.33 0.13 0.00 -0.00 0.00 0.00 56.01 52.80 2ctf n LEU 37 Cb 0.10 -0.57 0.55 0.00 -0.00 0.00 0.00 43.42 43.51 2ctf n LEU 37 CO 0.17 0.91 1.17 0.45 -0.00 0.00 0.00 177.39 180.09 2ctf h HIS 38 N 1.28 0.30 0.00 1.47 3.86 -1.37 0.28 115.15 120.97 2ctf h HIS 38 Ca 0.09 0.01 -0.00 0.00 -1.16 0.00 0.00 60.37 59.30 2ctf h HIS 38 Cb 1.48 -0.10 -0.00 0.00 1.06 0.00 0.00 27.41 29.85 2ctf h HIS 38 CO 0.65 0.15 -0.02 0.07 0.86 0.00 0.00 177.93 179.64 2ctf h ARG 39 N 0.29 0.00 0.00 2.45 0.11 -1.83 -1.85 114.38 113.55 2ctf h ARG 39 Ca 0.24 0.00 -0.45 0.00 0.10 0.00 0.00 59.98 59.87 2ctf h ARG 39 Cb 0.56 0.00 -0.07 0.00 1.11 0.00 0.00 29.97 31.57 2ctf h ARG 39 CO -0.05 0.02 -2.53 1.19 0.10 0.00 0.00 179.97 178.70 2ctf n PHE 40 N -3.14 0.00 -0.31 4.08 3.72 0.65 -3.45 117.46 119.01 2ctf n PHE 40 Ca -0.01 0.00 0.06 0.00 -0.05 0.00 0.00 57.45 57.45 2ctf n PHE 40 Cb 0.25 -0.99 0.26 0.00 -0.94 0.00 0.00 39.48 38.05 2ctf n PHE 40 CO 0.00 0.00 0.00 0.97 -0.05 0.00 0.00 176.76 177.68 2ctf h ILE 41 N -0.76 1.00 0.02 4.37 2.10 -0.66 -2.91 117.51 120.67 2ctf h ILE 41 Ca -0.68 -0.33 -0.00 0.00 1.08 0.00 0.00 64.86 64.93 2ctf h ILE 41 Cb 1.68 -0.06 0.00 0.00 -1.09 0.00 0.00 36.82 37.35 2ctf h ILE 41 CO -0.35 0.18 -0.01 0.40 -1.08 0.00 0.00 178.15 177.29 2ctf h ILE 42 N 0.98 1.41 0.00 2.19 2.04 -1.56 -3.41 117.51 119.16 2ctf h ILE 42 Ca 0.42 -1.88 0.00 0.00 1.00 0.00 0.00 64.86 64.40 2ctf h ILE 42 Cb 0.33 2.59 0.00 0.00 -0.74 0.00 0.00 36.82 39.00 2ctf h ILE 42 CO -0.18 0.45 0.00 0.61 0.00 0.00 0.00 178.15 179.03 2ctf n GLY 43 N 1.33 -1.46 3.62 5.37 0.00 -1.10 -1.27 105.19 111.68 2ctf n GLY 43 Ca -0.08 -2.08 -0.43 0.00 0.00 0.00 0.00 46.02 43.43 2ctf n GLY 43 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2ctf s LYS 44 N 0.00 3.86 -1.66 1.61 1.02 -1.26 -3.82 119.74 119.49 2ctf s LYS 44 Ca 0.00 0.83 -0.17 0.00 0.02 0.00 0.00 55.97 56.65 2ctf s LYS 44 Cb 0.00 -3.85 0.14 0.00 -0.52 0.00 0.00 37.83 33.60 2ctf s LYS 44 CO 0.00 -1.20 0.80 1.63 -0.92 0.00 0.00 175.35 175.66 2ctf n LYS 45 N 7.46 -3.57 -2.13 1.68 5.02 -1.26 -2.12 118.16 123.24 2ctf n LYS 45 Ca 0.12 0.41 -0.04 0.00 -2.02 0.00 0.00 58.31 56.78 2ctf n LYS 45 Cb 0.48 -5.13 0.02 0.00 -0.02 0.00 0.00 35.03 30.38 2ctf n LYS 45 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2ctf n GLY 46 N -1.48 0.30 0.08 0.72 0.00 -1.25 -5.00 105.19 98.56 2ctf n GLY 46 Ca 0.05 -0.14 -0.11 0.00 0.00 0.00 0.00 46.02 45.82 2ctf n GLY 46 CO 0.00 0.00 0.00 -1.61 0.00 0.00 0.00 173.32 171.71 2ctf h GLN 47 N -0.38 0.00 -0.41 1.61 4.15 -1.27 -3.03 115.11 115.78 2ctf h GLN 47 Ca -0.17 0.00 -0.05 0.00 0.77 0.00 0.00 58.65 59.21 2ctf h GLN 47 Cb 1.09 0.00 -0.02 0.00 0.21 0.00 0.00 27.48 28.76 2ctf h GLN 47 CO 0.13 0.43 0.05 -0.91 -1.93 0.00 0.00 178.83 176.60 2ctf h ASN 48 N -1.00 0.58 0.04 -0.69 2.35 -1.46 -2.66 115.58 112.75 2ctf h ASN 48 Ca -0.12 -0.10 -0.00 0.00 -0.55 0.00 0.00 56.30 55.52 2ctf h ASN 48 Cb 0.77 -0.15 0.00 0.00 0.05 0.00 0.00 38.32 38.98 2ctf h ASN 48 CO -0.07 0.62 -0.02 -0.07 -1.65 0.00 0.00 177.43 176.23 2ctf h LEU 49 N 0.60 -0.05 -0.69 1.61 3.38 -1.71 -3.20 115.31 115.25 2ctf h LEU 49 Ca 0.13 -0.44 0.14 0.00 0.09 0.00 0.00 57.88 57.80 2ctf h LEU 49 Cb 0.30 0.01 -0.10 0.00 0.09 0.00 0.00 40.66 40.96 2ctf h LEU 49 CO 0.00 0.43 0.15 0.00 0.09 0.00 0.00 178.44 179.12 2ctf h ALA 50 N 0.37 0.86 0.00 1.53 0.00 -1.42 -0.87 119.26 119.74 2ctf h ALA 50 Ca -0.01 0.16 0.02 0.00 0.00 0.00 0.00 54.91 55.08 2ctf h ALA 50 Cb 0.49 0.22 -0.05 0.00 0.00 0.00 0.00 17.79 18.45 2ctf h ALA 50 CO 0.01 -0.33 -0.53 0.87 0.00 0.00 0.00 179.25 179.27 2ctf h LYS 51 N 0.26 -0.65 0.22 0.00 1.57 -1.49 0.50 116.57 116.98 2ctf h LYS 51 Ca 0.38 0.04 0.01 0.00 -1.87 0.00 0.00 60.65 59.21 2ctf h LYS 51 Cb 0.62 0.15 -0.03 0.00 0.08 0.00 0.00 32.23 33.05 2ctf h LYS 51 CO -0.48 -0.43 -0.30 0.82 -0.57 0.00 0.00 179.45 178.48 2ctf h ILE 52 N -0.67 0.36 -0.12 1.86 2.04 -1.40 -0.76 117.51 118.82 2ctf h ILE 52 Ca 0.01 0.00 0.03 0.00 1.00 0.00 0.00 64.86 65.91 2ctf h ILE 52 Cb 0.72 0.36 -0.00 0.00 -0.74 0.00 0.00 36.82 37.15 2ctf h ILE 52 CO -0.36 0.00 0.21 0.71 0.00 0.00 0.00 178.15 178.71 2ctf h THR 53 N -0.59 0.26 -0.00 -0.27 1.35 -0.88 0.39 112.91 113.18 2ctf h THR 53 Ca 0.01 0.00 -0.22 0.00 -0.55 0.00 0.00 66.41 65.65 2ctf h THR 53 Cb 0.57 0.82 0.00 0.00 -1.73 0.00 0.00 68.15 67.81 2ctf h THR 53 CO -0.11 0.00 -0.92 -0.61 -0.25 0.00 0.00 175.52 173.62 2ctf h GLN 54 N 0.00 0.38 -0.02 4.72 5.75 0.15 -3.15 115.11 122.94 2ctf h GLN 54 Ca 0.06 -0.41 -0.05 0.00 -0.15 0.00 0.00 58.65 58.10 2ctf h GLN 54 Cb 0.47 0.11 -0.01 0.00 1.07 0.00 0.00 27.48 29.13 2ctf h GLN 54 CO -0.00 1.08 -0.23 1.96 -2.65 0.00 0.00 178.83 178.99 2ctf h GLN 55 N 0.22 0.03 -0.90 1.69 1.08 -0.25 -3.43 115.11 113.54 2ctf h GLN 55 Ca -0.07 -0.01 0.17 0.00 -1.45 0.00 0.00 58.65 57.29 2ctf h GLN 55 Cb 1.56 -0.00 -0.23 0.00 -0.05 0.00 0.00 27.48 28.76 2ctf h GLN 55 CO 0.16 0.26 0.11 0.00 -0.95 0.00 0.00 178.83 178.41 2ctf s MET 56 N -4.53 0.32 0.11 1.46 0.23 -1.15 -5.05 119.30 110.69 2ctf s MET 56 Ca -0.04 0.72 -0.14 0.00 -1.03 0.00 0.00 55.69 55.20 2ctf s MET 56 Cb 0.15 0.42 -0.08 0.00 -1.53 0.00 0.00 34.83 33.80 2ctf s MET 56 CO 0.71 -0.20 1.43 -1.00 -2.03 0.00 0.00 175.02 173.93 2ctf h PRO 57 N 7.73 0.75 -0.81 3.16 0.13 -1.82 -3.21 132.00 137.93 2ctf h PRO 57 Ca -0.16 -0.40 0.32 0.00 -0.87 0.00 0.00 66.00 64.89 2ctf h PRO 57 Cb 1.13 0.01 -0.15 0.00 0.13 0.00 0.00 31.00 32.13 2ctf h PRO 57 CO 0.06 1.02 0.38 1.63 -0.23 0.00 0.00 178.00 180.86 2ctf n LYS 58 N -4.22 -0.05 -2.72 0.86 4.76 -1.26 -4.10 118.16 111.43 2ctf n LYS 58 Ca -0.04 1.12 -0.42 0.00 -2.87 0.00 0.00 58.31 56.11 2ctf n LYS 58 Cb 0.49 -1.99 -0.03 0.00 -1.84 0.00 0.00 35.03 31.66 2ctf n LYS 58 CO 0.00 0.00 0.00 0.08 -1.37 0.00 0.00 177.40 176.11 2ctf s VAL 59 N -5.29 4.86 -0.15 -0.18 1.01 -1.21 -4.17 120.40 115.27 2ctf s VAL 59 Ca -0.08 2.03 -0.02 0.00 0.00 0.00 0.00 61.98 63.92 2ctf s VAL 59 Cb 0.27 -4.31 -0.02 0.00 0.00 0.00 0.00 36.38 32.32 2ctf s VAL 59 CO 0.63 0.14 -0.10 -1.00 0.00 0.00 0.00 175.10 174.77 2ctf s HIS 60 N 1.15 2.89 -0.16 5.22 3.76 0.11 -4.90 115.29 123.37 2ctf s HIS 60 Ca 0.51 -0.57 -0.07 0.00 -0.15 0.00 0.00 55.06 54.78 2ctf s HIS 60 Cb -0.20 -1.90 -0.04 0.00 1.11 0.00 0.00 32.58 31.54 2ctf s HIS 60 CO 0.26 -0.19 0.09 0.42 -0.85 0.00 0.00 174.74 174.47 2ctf s ILE 61 N 0.45 5.08 0.03 0.60 1.01 -1.26 -1.85 121.20 125.25 2ctf s ILE 61 Ca -0.07 0.06 0.03 0.00 0.00 0.00 0.00 60.65 60.67 2ctf s ILE 61 Cb -0.15 -3.25 -0.02 0.00 0.01 0.00 0.00 42.46 39.05 2ctf s ILE 61 CO 0.04 0.52 -0.10 -0.70 0.00 0.00 0.00 174.94 174.70 2ctf s GLU 62 N -0.21 0.72 -0.07 2.79 2.12 -0.72 -5.01 118.70 118.33 2ctf s GLU 62 Ca 0.09 -0.61 0.05 0.00 0.36 0.00 0.00 54.97 54.86 2ctf s GLU 62 Cb -0.12 -0.66 -0.01 0.00 0.26 0.00 0.00 34.13 33.60 2ctf s GLU 62 CO 0.01 0.16 -0.23 -0.06 -0.54 0.00 0.00 175.26 174.61 2ctf s PHE 63 N -0.78 2.51 0.51 5.30 0.08 -1.26 -2.55 117.98 121.79 2ctf s PHE 63 Ca -0.01 -0.67 0.07 0.00 0.12 0.00 0.00 56.93 56.44 2ctf s PHE 63 Cb -0.07 -1.63 0.03 0.00 -0.57 0.00 0.00 43.02 40.78 2ctf s PHE 63 CO 0.01 -0.18 0.46 0.95 -0.10 0.00 0.00 175.22 176.36 2ctf s THR 64 N -0.15 2.04 -0.09 0.64 -4.23 -1.23 -5.04 115.64 107.58 2ctf s THR 64 Ca -0.03 -1.36 -0.04 0.00 -1.18 0.00 0.00 61.69 59.07 2ctf s THR 64 Cb -0.14 -2.40 -0.04 0.00 1.34 0.00 0.00 72.50 71.26 2ctf s THR 64 CO 0.04 0.00 -0.12 -1.84 -0.54 0.00 0.00 174.62 172.16 2ctf n GLU 65 N -1.78 0.20 -0.06 3.99 -0.00 -1.26 -4.61 120.64 117.11 2ctf n GLU 65 Ca 0.03 0.08 -0.14 0.00 -0.00 0.00 0.00 57.16 57.14 2ctf n GLU 65 Cb 0.63 -0.87 -0.14 0.00 -0.00 0.00 0.00 31.44 31.06 2ctf n GLU 65 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 2ctf n GLY 66 N 2.47 -0.77 0.27 -1.84 0.00 -1.26 -4.18 105.19 99.88 2ctf n GLY 66 Ca -0.18 -0.21 0.14 0.00 0.00 0.00 0.00 46.02 45.77 2ctf n GLY 66 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 2ctf h GLU 67 N 0.01 0.00 -6.46 1.61 3.07 -2.00 -3.46 114.58 107.35 2ctf h GLU 67 Ca -0.46 0.00 -0.49 0.00 -0.50 0.00 0.00 59.36 57.91 2ctf h GLU 67 Cb 2.07 0.00 -0.02 0.00 -0.84 0.00 0.00 28.75 29.96 2ctf h GLU 67 CO 0.03 0.09 -0.91 -0.25 -1.40 0.00 0.00 179.01 176.57 2ctf n ASP 68 N -3.54 -1.66 -3.55 1.42 8.00 -1.26 -4.96 116.55 110.99 2ctf n ASP 68 Ca -0.02 -1.03 -0.12 0.00 0.71 0.00 0.00 54.79 54.34 2ctf n ASP 68 Cb 0.22 -3.04 -0.04 0.00 -0.02 0.00 0.00 41.12 38.24 2ctf n ASP 68 CO 0.00 0.00 0.00 -1.59 -0.39 0.00 0.00 177.20 175.22 2ctf s LYS 69 N -6.47 1.12 -0.36 -1.24 -2.85 -1.24 -3.83 119.74 104.87 2ctf s LYS 69 Ca 0.14 -0.51 -0.08 0.00 -1.00 0.00 0.00 55.97 54.51 2ctf s LYS 69 Cb -0.05 0.51 0.04 0.00 -2.06 0.00 0.00 37.83 36.26 2ctf s LYS 69 CO 0.89 -0.45 0.16 0.42 0.10 0.00 0.00 175.35 176.47 2ctf s ILE 70 N -3.43 4.08 0.24 3.79 1.01 -0.43 -3.47 121.20 122.99 2ctf s ILE 70 Ca 0.00 -1.11 -0.29 0.00 0.00 0.00 0.00 60.65 59.26 2ctf s ILE 70 Cb 0.00 -3.34 -0.09 0.00 0.01 0.00 0.00 42.46 39.05 2ctf s ILE 70 CO -0.10 -0.26 0.91 -0.89 0.00 0.00 0.00 174.94 174.61 2ctf s THR 71 N 1.45 4.14 -0.04 2.92 2.01 -1.06 -1.21 115.64 123.86 2ctf s THR 71 Ca 0.00 1.98 0.05 0.00 0.31 0.00 0.00 61.69 64.03 2ctf s THR 71 Cb -0.20 -4.25 -0.01 0.00 0.01 0.00 0.00 72.50 68.05 2ctf s THR 71 CO 0.04 0.46 -0.18 -0.76 -0.69 0.00 0.00 174.62 173.49 2ctf s LEU 72 N -1.29 1.94 -0.06 4.42 2.01 0.27 -1.75 118.68 124.23 2ctf s LEU 72 Ca 0.41 -0.35 0.03 0.00 0.01 0.00 0.00 54.13 54.23 2ctf s LEU 72 Cb -0.25 -0.98 0.01 0.00 0.01 0.00 0.00 46.19 44.98 2ctf s LEU 72 CO 0.30 0.17 -0.15 -0.70 1.01 0.00 0.00 176.35 176.97 2ctf s GLU 73 N -0.06 1.91 0.00 1.70 2.12 -0.77 -1.31 118.70 122.29 2ctf s GLU 73 Ca -0.02 -0.54 0.00 0.00 0.36 0.00 0.00 54.97 54.77 2ctf s GLU 73 Cb -0.11 -1.57 0.00 0.00 0.26 0.00 0.00 34.13 32.71 2ctf s GLU 73 CO 0.02 0.12 0.00 0.41 -0.54 0.00 0.00 175.26 175.27 2ctf n GLY 74 N 3.54 -0.67 3.67 -1.50 0.00 -0.39 0.10 105.19 109.94 2ctf n GLY 74 Ca -0.21 -1.49 -0.42 0.00 0.00 0.00 0.00 46.02 43.90 2ctf n GLY 74 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2ctf s PRO 75 N -1.94 4.22 0.60 1.61 0.04 -1.26 -0.23 135.00 138.04 2ctf s PRO 75 Ca 0.00 2.01 0.29 0.00 0.04 0.00 0.00 61.00 63.33 2ctf s PRO 75 Cb 0.00 -3.80 0.99 0.00 0.04 0.00 0.00 34.50 31.73 2ctf s PRO 75 CO 0.00 -0.73 1.33 0.00 0.04 0.00 0.00 177.00 177.63 2ctf h THR 76 N 5.34 0.00 0.13 1.26 1.03 -1.93 0.73 112.91 119.47 2ctf h THR 76 Ca -0.36 0.00 -0.01 0.00 -0.01 0.00 0.00 66.41 66.03 2ctf h THR 76 Cb 1.16 0.01 0.00 0.00 -1.07 0.00 0.00 68.15 68.25 2ctf h THR 76 CO 0.94 0.00 -0.06 -0.08 -0.01 0.00 0.00 175.52 176.31 2ctf h GLU 77 N 0.00 -0.17 0.17 0.00 4.57 -1.99 -2.70 114.58 114.47 2ctf h GLU 77 Ca 0.53 0.01 -0.34 0.00 -1.18 0.00 0.00 59.36 58.38 2ctf h GLU 77 Cb 3.00 0.04 0.01 0.00 -0.16 0.00 0.00 28.75 31.64 2ctf h GLU 77 CO -0.01 0.06 -1.68 -0.44 -1.18 0.00 0.00 179.01 175.76 2ctf h ASP 78 N -0.38 0.56 -0.88 1.04 5.19 -0.07 -3.35 116.42 118.53 2ctf h ASP 78 Ca -0.02 -0.81 0.20 0.00 -0.62 0.00 0.00 57.03 55.78 2ctf h ASP 78 Cb 0.31 -0.18 -0.12 0.00 0.18 0.00 0.00 39.33 39.52 2ctf h ASP 78 CO 0.03 1.68 0.40 0.58 -3.12 0.00 0.00 179.24 178.81 2ctf h VAL 79 N 0.10 0.53 -0.48 -1.35 2.07 -0.71 0.34 116.25 116.74 2ctf h VAL 79 Ca -0.31 -0.15 -0.05 0.00 0.82 0.00 0.00 66.70 67.01 2ctf h VAL 79 Cb 2.08 0.05 -0.02 0.00 -1.52 0.00 0.00 31.29 31.88 2ctf h VAL 79 CO 0.18 0.08 0.11 0.77 0.02 0.00 0.00 177.57 178.73 2ctf h SER 80 N 0.44 0.68 -0.19 0.57 4.64 -1.61 0.91 113.55 118.99 2ctf h SER 80 Ca 0.53 -0.11 -0.15 0.00 -0.47 0.00 0.00 61.79 61.59 2ctf h SER 80 Cb 0.96 -0.18 0.00 0.00 -0.31 0.00 0.00 62.40 62.88 2ctf h SER 80 CO -0.49 0.68 -0.47 0.58 -0.87 0.00 0.00 176.83 176.26 2ctf h VAL 81 N 0.71 1.32 0.51 0.95 2.07 -0.58 -2.67 116.25 118.56 2ctf h VAL 81 Ca 0.16 -1.70 -0.02 0.00 0.82 0.00 0.00 66.70 65.95 2ctf h VAL 81 Cb 0.28 1.90 0.00 0.00 -1.52 0.00 0.00 31.29 31.95 2ctf h VAL 81 CO -0.00 0.53 -0.24 0.00 0.02 0.00 0.00 177.57 177.87 2ctf h ALA 82 N 0.58 -0.68 -1.03 1.67 0.00 -0.66 -1.99 119.26 117.15 2ctf h ALA 82 Ca -0.00 -0.18 0.27 0.00 0.00 0.00 0.00 54.91 55.00 2ctf h ALA 82 Cb 1.08 0.26 -0.08 0.00 0.00 0.00 0.00 17.79 19.05 2ctf h ALA 82 CO 0.10 -0.67 0.68 -0.56 0.00 0.00 0.00 179.25 178.81 2ctf h GLN 83 N -1.11 0.30 0.04 0.00 3.07 -0.95 -0.38 115.11 116.08 2ctf h GLN 83 Ca -0.07 -0.02 -0.00 0.00 0.09 0.00 0.00 58.65 58.65 2ctf h GLN 83 Cb 0.57 -0.07 0.00 0.00 0.08 0.00 0.00 27.48 28.07 2ctf h GLN 83 CO 0.11 0.20 -0.02 1.49 0.09 0.00 0.00 178.83 180.71 2ctf h GLU 84 N 0.31 -0.05 -1.00 0.06 4.81 -1.44 -2.00 114.58 115.27 2ctf h GLU 84 Ca 0.56 0.00 0.16 0.00 -0.13 0.00 0.00 59.36 59.95 2ctf h GLU 84 Cb 1.59 0.01 -0.10 0.00 0.63 0.00 0.00 28.75 30.88 2ctf h GLU 84 CO -0.22 0.44 0.62 1.96 -0.73 0.00 0.00 179.01 181.08 2ctf h GLN 85 N -0.55 0.84 -0.23 1.92 4.20 -0.31 -1.27 115.11 119.71 2ctf h GLN 85 Ca -0.00 -0.05 -0.09 0.00 0.06 0.00 0.00 58.65 58.57 2ctf h GLN 85 Cb 0.50 -0.19 -0.00 0.00 0.30 0.00 0.00 27.48 28.09 2ctf h GLN 85 CO 0.01 0.56 -0.20 0.82 -0.67 0.00 0.00 178.83 179.35 2ctf h ILE 86 N 0.87 1.32 -0.72 2.54 2.04 -1.30 -2.99 117.51 119.26 2ctf h ILE 86 Ca 0.54 -1.34 0.18 0.00 1.00 0.00 0.00 64.86 65.24 2ctf h ILE 86 Cb 0.71 1.68 -0.04 0.00 -0.74 0.00 0.00 36.82 38.44 2ctf h ILE 86 CO -0.33 0.42 0.50 -0.33 0.00 0.00 0.00 178.15 178.41 2ctf h GLU 87 N 0.23 0.16 -0.15 2.37 5.08 -0.46 -1.01 114.58 120.81 2ctf h GLU 87 Ca 0.04 -0.01 -0.06 0.00 -1.00 0.00 0.00 59.36 58.33 2ctf h GLU 87 Cb 0.74 -0.04 -0.00 0.00 0.50 0.00 0.00 28.75 29.95 2ctf h GLU 87 CO 0.05 0.11 -0.14 0.78 -1.00 0.00 0.00 179.01 178.81 2ctf h GLY 88 N 0.17 0.39 2.00 -3.84 0.00 -1.27 -2.95 103.07 97.56 2ctf h GLY 88 Ca 0.35 -0.39 -0.01 0.00 0.00 0.00 0.00 47.33 47.28 2ctf h GLY 88 CO -0.06 0.35 -0.04 0.00 0.00 0.00 0.00 176.54 176.79 2ctf h MET 89 N -0.01 0.00 0.39 4.80 -0.00 -1.21 -2.71 114.93 116.18 2ctf h MET 89 Ca 0.03 0.00 -0.02 0.00 -0.00 0.00 0.00 59.70 59.71 2ctf h MET 89 Cb 0.66 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 32.26 2ctf h MET 89 CO 0.03 0.04 -0.19 0.28 -0.00 0.00 0.00 176.91 177.08 2ctf h VAL 90 N 0.00 0.00 -0.47 -0.10 2.07 -1.10 -1.20 116.25 115.44 2ctf h VAL 90 Ca -0.00 -0.35 0.06 0.00 0.82 0.00 0.00 66.70 67.23 2ctf h VAL 90 Cb 0.48 0.00 -0.05 0.00 -1.52 0.00 0.00 31.29 30.19 2ctf h VAL 90 CO 0.01 0.00 0.17 0.07 0.02 0.00 0.00 177.57 177.83 2ctf h LYS 91 N -0.87 0.33 -0.36 1.57 2.10 -1.55 -1.30 116.57 116.50 2ctf h LYS 91 Ca -0.05 -0.02 0.03 0.00 -2.00 0.00 0.00 60.65 58.60 2ctf h LYS 91 Cb 0.40 -0.07 -0.03 0.00 -0.90 0.00 0.00 32.23 31.62 2ctf h LYS 91 CO 0.09 0.22 0.17 0.22 -2.00 0.00 0.00 179.45 178.15 2ctf h ASP 92 N 0.34 0.25 0.00 7.07 3.58 -1.58 0.27 116.42 126.35 2ctf h ASP 92 Ca 0.22 0.02 0.02 0.00 0.42 0.00 0.00 57.03 57.71 2ctf h ASP 92 Cb 0.23 -0.03 -0.03 0.00 1.72 0.00 0.00 39.33 41.23 2ctf h ASP 92 CO -0.23 0.18 -0.13 -0.07 -2.88 0.00 0.00 179.24 176.12 2ctf h LEU 93 N 0.35 -0.37 -0.75 2.28 3.38 -0.61 -2.25 115.31 117.34 2ctf h LEU 93 Ca 0.15 0.06 -0.05 0.00 0.09 0.00 0.00 57.88 58.13 2ctf h LEU 93 Cb 0.07 0.16 -0.03 0.00 0.09 0.00 0.00 40.66 40.94 2ctf h LEU 93 CO -0.11 -0.18 0.27 0.40 0.09 0.00 0.00 178.44 178.91 2ctf h ILE 94 N -0.22 1.26 -0.68 1.22 2.04 -1.01 -2.86 117.51 117.26 2ctf h ILE 94 Ca 0.04 -0.85 0.13 0.00 1.00 0.00 0.00 64.86 65.18 2ctf h ILE 94 Cb 0.27 0.40 -0.09 0.00 -0.74 0.00 0.00 36.82 36.66 2ctf h ILE 94 CO -0.13 0.34 0.22 0.78 0.00 0.00 0.00 178.15 179.36 2ctf h ASN 95 N 1.10 0.15 -0.78 1.72 2.35 -0.04 -0.55 115.58 119.54 2ctf h ASN 95 Ca 0.25 0.11 0.04 0.00 -0.55 0.00 0.00 56.30 56.15 2ctf h ASN 95 Cb 0.26 0.12 -0.05 0.00 0.05 0.00 0.00 38.32 38.70 2ctf h ASN 95 CO -0.01 0.06 0.49 0.03 -1.65 0.00 0.00 177.43 176.34 2ctf h ARG 96 N 0.36 0.91 -2.50 0.81 2.47 -1.18 -3.44 114.38 111.81 2ctf h ARG 96 Ca 0.37 -0.05 -0.09 0.00 -1.26 0.00 0.00 59.98 58.94 2ctf h ARG 96 Cb 0.55 -0.20 -0.22 0.00 -1.65 0.00 0.00 29.97 28.45 2ctf h ARG 96 CO -0.40 0.60 -0.09 0.45 0.56 0.00 0.00 179.97 181.08 2ctf s SER 97 N -5.78 -0.51 0.00 7.04 0.15 -0.22 -5.15 113.70 109.24 2ctf s SER 97 Ca -0.13 0.87 0.00 0.00 0.70 0.00 0.00 55.95 57.39 2ctf s SER 97 Cb 0.16 0.89 0.00 0.00 -1.71 0.00 0.00 66.02 65.36 2ctf s SER 97 CO 0.78 -0.27 0.00 0.61 1.20 0.00 0.00 173.24 175.56 2ctf n GLY 98 N 2.34 -0.24 3.65 9.45 0.00 -1.23 -4.29 105.19 114.87 2ctf n GLY 98 Ca -0.15 -1.17 -0.29 0.00 0.00 0.00 0.00 46.02 44.41 2ctf n GLY 98 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2ctf s PRO 99 N -2.00 -0.14 -0.14 1.61 0.04 -1.26 -5.04 135.00 128.07 2ctf s PRO 99 Ca 0.00 0.32 -0.08 0.00 0.04 0.00 0.00 61.00 61.28 2ctf s PRO 99 Cb 0.00 -1.69 -0.04 0.00 0.04 0.00 0.00 34.50 32.81 2ctf s PRO 99 CO 0.00 -3.07 0.13 0.45 0.04 0.00 0.00 177.00 174.55 2ctf s SER 100 N -3.58 6.31 -0.23 6.66 0.15 -1.26 -5.02 113.70 116.72 2ctf s SER 100 Ca 0.67 0.39 -0.30 0.00 0.70 0.00 0.00 55.95 57.42 2ctf s SER 100 Cb -0.16 -2.06 -0.07 0.00 -1.71 0.00 0.00 66.02 62.02 2ctf s SER 100 CO 0.57 0.34 2.20 -1.20 1.20 0.00 0.00 173.24 176.36 2ctf n SER 101 N 2.44 3.08 0.00 5.45 7.64 -1.26 -5.31 113.62 125.66 2ctf n SER 101 Ca -0.19 0.28 0.00 0.00 1.01 0.00 0.00 58.87 59.97 2ctf n SER 101 Cb 0.54 -1.50 0.00 0.00 -1.01 0.00 0.00 64.21 62.25 2ctf n SER 101 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64