#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 6.05 -0.26 1.61 0.15 -1.26 -5.04 113.70 114.95 2ctf s SER 2 Ca 0.00 -0.26 -0.26 0.00 0.70 0.00 0.00 55.95 56.13 2ctf s SER 2 Cb 0.00 -2.13 0.12 0.00 -1.71 0.00 0.00 66.02 62.30 2ctf s SER 2 CO 0.00 -0.17 1.02 -0.55 1.20 0.00 0.00 173.24 174.75 2ctf s SER 3 N 1.74 -0.44 -0.18 5.45 0.15 -1.26 -5.15 113.70 114.00 2ctf s SER 3 Ca 0.07 0.81 -0.16 0.00 0.70 0.00 0.00 55.95 57.36 2ctf s SER 3 Cb -0.17 0.80 -0.04 0.00 -1.71 0.00 0.00 66.02 64.91 2ctf s SER 3 CO 0.11 -0.18 0.42 -0.83 1.20 0.00 0.00 173.24 173.96 2ctf s GLY 4 N 0.04 2.14 -0.39 9.45 0.00 -1.26 -4.99 107.32 112.30 2ctf s GLY 4 Ca 0.02 -0.45 -0.45 0.00 0.00 0.00 0.00 44.72 43.85 2ctf s GLY 4 CO -0.05 0.82 1.52 -1.14 0.00 0.00 0.00 173.10 174.25 2ctf n SER 5 N 4.32 1.10 -0.35 1.64 3.41 -1.26 -4.77 113.62 117.72 2ctf n SER 5 Ca -0.08 1.18 0.00 0.00 -0.26 0.00 0.00 58.87 59.71 2ctf n SER 5 Cb 0.51 -0.91 0.05 0.00 -0.26 0.00 0.00 64.21 63.60 2ctf n SER 5 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 2ctf n SER 6 N 3.67 -0.54 0.00 4.04 7.64 -1.26 -4.72 113.62 122.45 2ctf n SER 6 Ca 0.29 1.58 0.00 0.00 1.01 0.00 0.00 58.87 61.75 2ctf n SER 6 Cb -0.02 -0.38 0.00 0.00 -1.01 0.00 0.00 64.21 62.80 2ctf n SER 6 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2ctf n GLY 7 N -1.45 0.00 3.71 0.23 0.00 -1.26 -5.14 105.19 101.27 2ctf n GLY 7 Ca 0.10 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.72 2ctf n GLY 7 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 2ctf n GLU 8 N 0.00 1.79 -1.09 1.61 0.28 -1.26 -4.99 120.64 116.98 2ctf n GLU 8 Ca 0.00 0.64 -0.30 0.00 -0.16 0.00 0.00 57.16 57.34 2ctf n GLU 8 Cb 0.00 -2.44 0.24 0.00 1.43 0.00 0.00 31.44 30.67 2ctf n GLU 8 CO 0.00 0.00 0.00 -1.25 -0.16 0.00 0.00 177.13 175.72 2ctf s PRO 9 N -2.47 -1.16 -0.28 3.44 0.04 -1.26 -5.09 135.00 128.21 2ctf s PRO 9 Ca 0.65 -0.05 -0.18 0.00 0.04 0.00 0.00 61.00 61.46 2ctf s PRO 9 Cb -0.47 -1.60 0.11 0.00 0.04 0.00 0.00 34.50 32.58 2ctf s PRO 9 CO 0.54 -3.68 0.87 -1.83 0.04 0.00 0.00 177.00 172.95 2ctf s GLU 10 N -5.39 0.55 -0.38 4.56 -1.05 -1.26 -5.04 118.70 110.70 2ctf s GLU 10 Ca 0.71 0.86 -0.01 0.00 -0.15 0.00 0.00 54.97 56.38 2ctf s GLU 10 Cb -0.10 0.16 0.28 0.00 -0.44 0.00 0.00 34.13 34.03 2ctf s GLU 10 CO 0.56 -0.10 1.96 1.63 0.95 0.00 0.00 175.26 180.26 2ctf n LYS 11 N 3.54 1.96 -2.57 -4.83 5.02 -1.26 -4.93 118.16 115.09 2ctf n LYS 11 Ca -0.18 -1.91 -0.43 0.00 -2.02 0.00 0.00 58.31 53.77 2ctf n LYS 11 Cb 0.57 -1.75 -0.02 0.00 -0.02 0.00 0.00 35.03 33.81 2ctf n LYS 11 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 2ctf s LEU 12 N -2.21 4.02 0.00 -0.35 1.43 -1.26 -4.60 118.68 115.71 2ctf s LEU 12 Ca 0.38 1.28 0.00 0.00 -1.03 0.00 0.00 54.13 54.76 2ctf s LEU 12 Cb 0.30 -3.54 0.00 0.00 0.03 0.00 0.00 46.19 42.98 2ctf s LEU 12 CO 0.00 -0.83 0.00 0.61 0.23 0.00 0.00 176.35 176.36 2ctf n GLY 13 N 3.74 0.84 2.93 -3.19 0.00 -1.26 -5.12 105.19 103.13 2ctf n GLY 13 Ca 0.13 -0.55 -0.31 0.00 0.00 0.00 0.00 46.02 45.29 2ctf n GLY 13 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2ctf s GLN 14 N 0.00 1.34 0.37 1.61 -1.52 -1.26 -5.10 119.66 115.10 2ctf s GLN 14 Ca 0.00 -1.49 -0.24 0.00 -1.95 0.00 0.00 55.36 51.68 2ctf s GLN 14 Cb 0.00 -2.77 -0.13 0.00 -0.22 0.00 0.00 33.01 29.89 2ctf s GLN 14 CO 0.00 -0.88 0.69 0.00 -0.25 0.00 0.00 175.29 174.85 2ctf n ALA 15 N 4.49 -1.18 -3.44 6.09 0.00 -1.26 -4.98 120.51 120.23 2ctf n ALA 15 Ca -0.01 0.24 -0.33 0.00 0.00 0.00 0.00 53.44 53.34 2ctf n ALA 15 Cb 0.42 -1.84 -0.16 0.00 0.00 0.00 0.00 19.45 17.87 2ctf n ALA 15 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 2ctf s LEU 16 N 1.33 2.23 -0.07 0.00 1.43 -1.26 -5.11 118.68 117.24 2ctf s LEU 16 Ca 0.62 -0.54 -0.03 0.00 -1.03 0.00 0.00 54.13 53.16 2ctf s LEU 16 Cb -0.65 -1.47 0.04 0.00 0.03 0.00 0.00 46.19 44.14 2ctf s LEU 16 CO 0.58 0.11 0.13 0.42 0.23 0.00 0.00 176.35 177.82 2ctf s THR 17 N 0.63 -0.21 -0.99 5.49 -4.23 -1.26 -5.09 115.64 109.98 2ctf s THR 17 Ca -0.11 0.37 -0.18 0.00 -1.18 0.00 0.00 61.69 60.59 2ctf s THR 17 Cb -0.16 -0.25 0.13 0.00 1.34 0.00 0.00 72.50 73.56 2ctf s THR 17 CO 0.02 0.15 1.22 -0.70 -0.54 0.00 0.00 174.62 174.78 2ctf s GLU 18 N 2.19 3.69 0.22 3.99 2.12 -1.26 -4.99 118.70 124.66 2ctf s GLU 18 Ca 0.03 -1.84 0.11 0.00 0.36 0.00 0.00 54.97 53.62 2ctf s GLU 18 Cb -0.12 -4.99 -0.04 0.00 0.26 0.00 0.00 34.13 29.23 2ctf s GLU 18 CO -0.05 -1.82 -0.16 0.14 -0.54 0.00 0.00 175.26 172.83 2ctf s VAL 19 N 2.74 2.75 0.06 3.70 -7.23 -1.26 -5.15 120.40 116.02 2ctf s VAL 19 Ca 0.36 -2.02 0.07 0.00 -1.81 0.00 0.00 61.98 58.59 2ctf s VAL 19 Cb -0.04 -2.39 -0.03 0.00 0.56 0.00 0.00 36.38 34.49 2ctf s VAL 19 CO -0.08 -0.22 -0.20 -0.72 -0.31 0.00 0.00 175.10 173.57 2ctf s TYR 20 N -1.98 1.77 -0.53 2.82 1.13 -1.26 -5.05 117.35 114.25 2ctf s TYR 20 Ca 0.26 -0.39 0.02 0.00 -1.41 0.00 0.00 57.07 55.55 2ctf s TYR 20 Cb -0.07 -1.03 0.44 0.00 -1.10 0.00 0.00 41.96 40.20 2ctf s TYR 20 CO 0.14 0.12 1.65 0.00 -2.51 0.00 0.00 175.55 174.95 2ctf n ALA 21 N 1.64 5.78 -3.65 9.51 0.00 -1.26 -4.89 120.51 127.64 2ctf n ALA 21 Ca -0.18 -3.73 -0.22 0.00 0.00 0.00 0.00 53.44 49.32 2ctf n ALA 21 Cb 0.53 -1.17 0.05 0.00 0.00 0.00 0.00 19.45 18.86 2ctf n ALA 21 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 2ctf n LYS 22 N -0.77 -5.72 -1.29 0.00 5.02 -1.26 -4.86 118.16 109.29 2ctf n LYS 22 Ca 0.53 0.69 -0.21 0.00 -2.02 0.00 0.00 58.31 57.30 2ctf n LYS 22 Cb 0.73 -5.46 -0.08 0.00 -0.02 0.00 0.00 35.03 30.20 2ctf n LYS 22 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2ctf n ALA 23 N -4.36 6.28 -0.17 7.82 0.00 -1.26 -4.68 120.51 124.14 2ctf n ALA 23 Ca -0.22 -2.54 -0.05 0.00 0.00 0.00 0.00 53.44 50.63 2ctf n ALA 23 Cb 0.64 -2.11 0.01 0.00 0.00 0.00 0.00 19.45 17.99 2ctf n ALA 23 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 177.50 176.53 2ctf h ASN 24 N 2.84 -0.98 -0.65 0.00 -0.00 -2.00 -0.19 115.58 114.61 2ctf h ASN 24 Ca 0.32 0.20 0.14 0.00 -0.00 0.00 0.00 56.30 56.96 2ctf h ASN 24 Cb 0.97 0.50 -0.10 0.00 -0.00 0.00 0.00 38.32 39.68 2ctf h ASN 24 CO 0.67 -0.29 0.08 0.28 -0.00 0.00 0.00 177.43 178.18 2ctf h SER 25 N -0.16 -0.12 -2.77 1.15 0.02 -2.00 -3.43 113.55 106.24 2ctf h SER 25 Ca 0.23 0.14 0.05 0.00 -0.84 0.00 0.00 61.79 61.37 2ctf h SER 25 Cb 0.52 0.22 -0.23 0.00 0.14 0.00 0.00 62.40 63.06 2ctf h SER 25 CO -0.61 -0.06 0.10 0.12 -1.14 0.00 0.00 176.83 175.24 2ctf s PHE 26 N -6.11 -0.96 -0.22 3.45 5.36 -0.09 -4.97 117.98 114.44 2ctf s PHE 26 Ca -0.13 1.88 -0.06 0.00 -0.96 0.00 0.00 56.93 57.66 2ctf s PHE 26 Cb 0.19 0.57 -0.02 0.00 -0.34 0.00 0.00 43.02 43.42 2ctf s PHE 26 CO 0.74 -0.47 0.02 0.99 -1.46 0.00 0.00 175.22 175.04 2ctf s THR 27 N 1.67 4.03 -0.26 0.12 2.01 -0.68 -4.65 115.64 117.88 2ctf s THR 27 Ca -0.09 -0.28 0.03 0.00 0.31 0.00 0.00 61.69 61.66 2ctf s THR 27 Cb -0.05 -2.85 0.06 0.00 0.01 0.00 0.00 72.50 69.67 2ctf s THR 27 CO -0.19 0.39 -0.10 -0.69 -0.69 0.00 0.00 174.62 173.34 2ctf s VAL 28 N 1.30 2.15 0.11 3.82 1.01 -1.26 -1.54 120.40 125.99 2ctf s VAL 28 Ca 0.04 -1.64 0.06 0.00 0.00 0.00 0.00 61.98 60.44 2ctf s VAL 28 Cb -0.15 -2.27 -0.04 0.00 0.00 0.00 0.00 36.38 33.93 2ctf s VAL 28 CO 0.02 -0.04 -0.14 -0.44 0.00 0.00 0.00 175.10 174.50 2ctf s SER 29 N 1.11 1.88 0.20 3.32 0.01 -0.69 -4.97 113.70 114.57 2ctf s SER 29 Ca -0.09 -0.78 0.11 0.00 1.31 0.00 0.00 55.95 56.51 2ctf s SER 29 Cb -0.20 -0.06 -0.04 0.00 0.21 0.00 0.00 66.02 65.93 2ctf s SER 29 CO -0.05 -0.15 -0.20 -0.44 0.41 0.00 0.00 173.24 172.82 2ctf s SER 30 N -2.33 3.67 -0.17 2.44 0.01 -1.26 0.42 113.70 116.47 2ctf s SER 30 Ca 0.07 -0.82 0.01 0.00 1.31 0.00 0.00 55.95 56.52 2ctf s SER 30 Cb -0.06 -0.38 0.02 0.00 0.21 0.00 0.00 66.02 65.81 2ctf s SER 30 CO 0.03 0.10 -0.20 -0.69 0.41 0.00 0.00 173.24 172.89 2ctf s VAL 31 N -1.80 2.07 -0.46 3.43 1.01 0.65 -4.94 120.40 120.35 2ctf s VAL 31 Ca 0.23 -0.94 -0.29 0.00 0.00 0.00 0.00 61.98 60.98 2ctf s VAL 31 Cb -0.08 -1.86 -0.09 0.00 0.00 0.00 0.00 36.38 34.35 2ctf s VAL 31 CO 0.12 0.54 2.37 0.00 0.00 0.00 0.00 175.10 178.13 2ctf n ALA 32 N 4.53 1.01 -2.89 5.51 0.00 -1.26 -1.94 120.51 125.48 2ctf n ALA 32 Ca -0.21 -0.56 -0.12 0.00 0.00 0.00 0.00 53.44 52.56 2ctf n ALA 32 Cb 0.50 -2.92 -0.13 0.00 0.00 0.00 0.00 19.45 16.90 2ctf n ALA 32 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2ctf s ALA 33 N 10.14 0.16 1.25 0.00 0.00 -1.24 -4.96 121.76 127.10 2ctf s ALA 33 Ca 1.05 -0.30 -0.21 0.00 0.00 0.00 0.00 51.96 52.51 2ctf s ALA 33 Cb -0.46 0.04 0.31 0.00 0.00 0.00 0.00 23.12 23.01 2ctf s ALA 33 CO 0.35 -0.04 1.11 -0.35 0.00 0.00 0.00 175.76 176.83 2ctf n PRO 34 N 2.43 -3.16 0.00 0.00 -0.04 -1.26 -3.24 135.00 129.73 2ctf n PRO 34 Ca -0.17 -1.77 0.00 0.00 -0.04 0.00 0.00 63.50 61.52 2ctf n PRO 34 Cb 0.58 -1.65 0.00 0.00 -0.04 0.00 0.00 33.50 32.38 2ctf n PRO 34 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 2ctf n SER 35 N -4.89 2.96 0.19 3.54 3.41 -1.26 -4.66 113.62 112.92 2ctf n SER 35 Ca 0.15 -0.10 0.14 0.00 -0.26 0.00 0.00 58.87 58.80 2ctf n SER 35 Cb 0.59 0.79 0.67 0.00 -0.26 0.00 0.00 64.21 66.01 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 -1.59 115.95 124.52 2ctf h TRP 36 Ca 0.00 0.00 -0.12 0.00 1.08 0.00 0.00 58.89 59.85 2ctf h TRP 36 Cb 0.00 0.00 -0.07 0.00 -3.00 0.00 0.00 29.16 26.09 2ctf h TRP 36 CO 0.00 0.00 -0.14 1.47 -1.28 0.00 0.00 178.44 178.49 2ctf n LEU 37 N -2.48 3.78 0.45 0.11 -0.00 -1.26 -4.76 117.00 112.83 2ctf n LEU 37 Ca -0.00 -3.68 -0.20 0.00 -0.00 0.00 0.00 56.01 52.13 2ctf n LEU 37 Cb 0.13 -0.60 -0.10 0.00 -0.00 0.00 0.00 43.42 42.86 2ctf n LEU 37 CO 0.17 1.19 0.58 0.45 -0.00 0.00 0.00 177.39 179.78 2ctf h HIS 38 N 1.03 -1.12 0.00 1.47 3.86 -1.57 0.61 115.15 119.42 2ctf h HIS 38 Ca 0.15 -0.02 0.00 0.00 -1.16 0.00 0.00 60.37 59.34 2ctf h HIS 38 Cb 1.50 0.38 0.00 0.00 1.06 0.00 0.00 27.41 30.34 2ctf h HIS 38 CO 0.88 -0.68 0.00 -2.13 0.86 0.00 0.00 177.93 176.86 2ctf n ARG 39 N -5.60 0.06 -0.08 2.45 0.63 -1.26 -1.46 116.66 111.40 2ctf n ARG 39 Ca -0.15 0.54 -0.16 0.00 -0.92 0.00 0.00 57.85 57.16 2ctf n ARG 39 Cb 0.47 -1.68 -0.14 0.00 0.45 0.00 0.00 32.46 31.56 2ctf n ARG 39 CO 0.00 0.00 0.00 0.34 -2.51 0.00 0.00 177.63 175.46 2ctf n PHE 40 N -1.80 0.43 0.22 -0.14 -0.00 -0.66 -3.17 117.46 112.34 2ctf n PHE 40 Ca -0.00 0.11 0.11 0.00 -0.00 0.00 0.00 57.45 57.67 2ctf n PHE 40 Cb 0.03 -1.06 0.41 0.00 -0.00 0.00 0.00 39.48 38.85 2ctf n PHE 40 CO 0.00 0.00 0.00 0.97 -0.00 0.00 0.00 176.76 177.73 2ctf h ILE 41 N 0.02 0.36 0.02 -2.13 2.10 0.13 -3.28 117.51 114.73 2ctf h ILE 41 Ca -0.50 -1.09 -0.24 0.00 1.08 0.00 0.00 64.86 64.12 2ctf h ILE 41 Cb 2.03 1.83 -0.03 0.00 -1.09 0.00 0.00 36.82 39.56 2ctf h ILE 41 CO 0.00 0.16 -1.28 0.40 -1.08 0.00 0.00 178.15 176.35 2ctf h ILE 42 N 0.00 0.93 0.00 2.19 2.04 -1.48 -3.40 117.51 117.80 2ctf h ILE 42 Ca -0.00 -2.22 0.00 0.00 1.00 0.00 0.00 64.86 63.64 2ctf h ILE 42 Cb 0.81 2.34 0.00 0.00 -0.74 0.00 0.00 36.82 39.23 2ctf h ILE 42 CO 0.02 0.41 0.00 0.61 0.00 0.00 0.00 178.15 179.19 2ctf n GLY 43 N 1.52 -0.57 0.09 5.37 0.00 -1.19 -3.10 105.19 107.30 2ctf n GLY 43 Ca -0.31 -2.22 -0.18 0.00 0.00 0.00 0.00 46.02 43.32 2ctf n GLY 43 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2ctf h LYS 44 N 5.50 0.00 -0.03 1.61 1.57 -1.93 -3.40 116.57 119.88 2ctf h LYS 44 Ca 0.00 0.00 -0.05 0.00 -1.87 0.00 0.00 60.65 58.73 2ctf h LYS 44 Cb 0.00 0.00 -0.09 0.00 0.08 0.00 0.00 32.23 32.22 2ctf h LYS 44 CO 0.00 0.94 -0.61 1.63 -0.57 0.00 0.00 179.45 180.84 2ctf n LYS 45 N -4.52 1.41 -2.13 3.15 4.01 -1.26 -5.00 118.16 113.82 2ctf n LYS 45 Ca -0.21 -3.13 -0.02 0.00 -0.51 0.00 0.00 58.31 54.44 2ctf n LYS 45 Cb 0.57 -1.38 0.00 0.00 -0.51 0.00 0.00 35.03 33.71 2ctf n LYS 45 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 2ctf n GLY 46 N -0.83 -0.83 0.25 0.72 0.00 -1.26 -4.99 105.19 98.24 2ctf n GLY 46 Ca 0.18 0.29 -0.12 0.00 0.00 0.00 0.00 46.02 46.36 2ctf n GLY 46 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2ctf n GLN 47 N -0.87 0.34 -0.05 1.61 10.64 -1.18 -3.82 117.38 124.04 2ctf n GLN 47 Ca 0.03 0.10 -0.13 0.00 -1.83 0.00 0.00 57.00 55.17 2ctf n GLN 47 Cb 0.35 -1.19 -0.07 0.00 -0.86 0.00 0.00 30.24 28.47 2ctf n GLN 47 CO 0.00 0.00 0.00 -0.91 -1.83 0.00 0.00 177.06 174.32 2ctf h ASN 48 N -0.21 0.29 0.08 2.61 2.35 -1.81 -2.56 115.58 116.33 2ctf h ASN 48 Ca -0.34 -0.43 -0.00 0.00 -0.55 0.00 0.00 56.30 54.97 2ctf h ASN 48 Cb 1.43 -0.08 0.00 0.00 0.05 0.00 0.00 38.32 39.72 2ctf h ASN 48 CO -0.12 0.66 -0.04 -0.07 -1.65 0.00 0.00 177.43 176.22 2ctf h LEU 49 N -0.08 -0.09 -1.10 1.61 3.38 -1.77 -3.03 115.31 114.23 2ctf h LEU 49 Ca 0.03 -0.42 0.33 0.00 0.09 0.00 0.00 57.88 57.91 2ctf h LEU 49 Cb 0.56 0.02 -0.14 0.00 0.09 0.00 0.00 40.66 41.20 2ctf h LEU 49 CO 0.02 0.57 0.62 0.00 0.09 0.00 0.00 178.44 179.74 2ctf h ALA 50 N -0.46 2.09 0.57 1.53 0.00 -1.69 0.19 119.26 121.48 2ctf h ALA 50 Ca -0.01 0.16 -0.03 0.00 0.00 0.00 0.00 54.91 55.03 2ctf h ALA 50 Cb 0.50 0.14 0.01 0.00 0.00 0.00 0.00 17.79 18.43 2ctf h ALA 50 CO 0.02 -0.67 -0.27 0.87 0.00 0.00 0.00 179.25 179.20 2ctf h LYS 51 N 0.32 -0.73 0.13 0.00 1.57 -1.54 0.56 116.57 116.88 2ctf h LYS 51 Ca 0.72 0.05 0.02 0.00 -1.87 0.00 0.00 60.65 59.57 2ctf h LYS 51 Cb 1.75 0.17 -0.04 0.00 0.08 0.00 0.00 32.23 34.19 2ctf h LYS 51 CO -0.54 -0.43 -0.34 0.82 -0.57 0.00 0.00 179.45 178.39 2ctf h ILE 52 N -1.10 0.28 -0.51 1.86 2.04 -1.03 -1.50 117.51 117.55 2ctf h ILE 52 Ca -0.08 0.00 0.03 0.00 1.00 0.00 0.00 64.86 65.81 2ctf h ILE 52 Cb 0.64 0.28 -0.03 0.00 -0.74 0.00 0.00 36.82 36.97 2ctf h ILE 52 CO 0.13 0.00 0.34 0.71 0.00 0.00 0.00 178.15 179.33 2ctf h THR 53 N -0.57 1.06 -0.32 -0.27 1.35 -0.79 0.33 112.91 113.69 2ctf h THR 53 Ca 0.03 -0.20 0.00 0.00 -0.55 0.00 0.00 66.41 65.69 2ctf h THR 53 Cb 0.60 0.42 -0.02 0.00 -1.73 0.00 0.00 68.15 67.42 2ctf h THR 53 CO -0.19 0.11 0.21 -0.61 -0.25 0.00 0.00 175.52 174.78 2ctf h GLN 54 N 0.59 0.43 0.07 4.72 4.15 0.04 -0.20 115.11 124.90 2ctf h GLN 54 Ca 0.21 -0.03 -0.24 0.00 0.77 0.00 0.00 58.65 59.35 2ctf h GLN 54 Cb 0.10 -0.09 -0.01 0.00 0.21 0.00 0.00 27.48 27.69 2ctf h GLN 54 CO -0.05 0.30 -1.09 0.37 -1.93 0.00 0.00 178.83 176.42 2ctf h GLN 55 N 0.43 0.22 -2.71 1.69 5.75 -0.71 -3.39 115.11 116.39 2ctf h GLN 55 Ca 0.12 -0.33 -0.61 0.00 -0.15 0.00 0.00 58.65 57.68 2ctf h GLN 55 Cb -0.03 0.11 -0.41 0.00 1.07 0.00 0.00 27.48 28.23 2ctf h GLN 55 CO -0.02 1.11 -0.71 -1.33 -2.65 0.00 0.00 178.83 175.23 2ctf n MET 56 N -3.55 1.46 0.22 1.69 2.81 0.11 -4.92 117.12 114.94 2ctf n MET 56 Ca -0.06 -4.11 0.09 0.00 -1.81 0.00 0.00 57.70 51.81 2ctf n MET 56 Cb 0.95 -2.06 0.50 0.00 -0.71 0.00 0.00 33.22 31.89 2ctf n MET 56 CO 0.00 0.00 0.00 -1.00 1.51 0.00 0.00 175.97 176.48 2ctf h PRO 57 N 5.19 0.00 -0.07 0.03 0.13 -1.24 -2.89 132.00 133.15 2ctf h PRO 57 Ca 0.18 0.00 -0.09 0.00 -0.87 0.00 0.00 66.00 65.22 2ctf h PRO 57 Cb 0.79 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.90 2ctf h PRO 57 CO 0.63 0.24 -0.36 0.87 -0.23 0.00 0.00 178.00 179.15 2ctf h LYS 58 N 0.00 0.13 -6.00 0.86 1.57 -1.91 -3.41 116.57 107.81 2ctf h LYS 58 Ca -0.00 -0.05 -0.58 0.00 -1.87 0.00 0.00 60.65 58.14 2ctf h LYS 58 Cb 0.67 -0.01 -0.07 0.00 0.08 0.00 0.00 32.23 32.90 2ctf h LYS 58 CO 0.03 0.48 0.69 0.08 -0.57 0.00 0.00 179.45 180.16 2ctf s VAL 59 N -4.23 4.72 -0.26 0.50 1.01 -1.09 -4.49 120.40 116.56 2ctf s VAL 59 Ca -0.04 1.83 -0.15 0.00 0.00 0.00 0.00 61.98 63.63 2ctf s VAL 59 Cb 0.14 -4.25 -0.04 0.00 0.00 0.00 0.00 36.38 32.23 2ctf s VAL 59 CO 0.75 -0.17 0.35 -1.00 0.00 0.00 0.00 175.10 175.03 2ctf s HIS 60 N 3.12 3.26 -0.24 5.22 3.76 -0.40 -4.88 115.29 125.12 2ctf s HIS 60 Ca 0.41 0.41 -0.08 0.00 -0.15 0.00 0.00 55.06 55.64 2ctf s HIS 60 Cb -0.15 -2.54 -0.04 0.00 1.11 0.00 0.00 32.58 30.97 2ctf s HIS 60 CO 0.07 -0.18 0.10 0.42 -0.85 0.00 0.00 174.74 174.30 2ctf s ILE 61 N 1.91 4.65 -0.06 0.60 1.01 -1.26 -2.25 121.20 125.79 2ctf s ILE 61 Ca 0.15 -0.06 0.05 0.00 0.00 0.00 0.00 60.65 60.78 2ctf s ILE 61 Cb -0.16 -3.17 -0.02 0.00 0.01 0.00 0.00 42.46 39.13 2ctf s ILE 61 CO 0.09 0.34 -0.21 -0.70 0.00 0.00 0.00 174.94 174.47 2ctf s GLU 62 N 1.41 2.63 -0.23 2.79 2.12 -0.65 -4.99 118.70 121.79 2ctf s GLU 62 Ca 0.06 -0.83 -0.04 0.00 0.36 0.00 0.00 54.97 54.52 2ctf s GLU 62 Cb -0.15 -2.27 -0.01 0.00 0.26 0.00 0.00 34.13 31.97 2ctf s GLU 62 CO 0.05 0.43 -0.03 -0.06 -0.54 0.00 0.00 175.26 175.10 2ctf s PHE 63 N -0.25 2.98 -0.07 5.30 0.08 -1.26 -2.12 117.98 122.63 2ctf s PHE 63 Ca -0.00 -0.95 0.04 0.00 0.12 0.00 0.00 56.93 56.14 2ctf s PHE 63 Cb -0.13 -2.12 -0.01 0.00 -0.57 0.00 0.00 43.02 40.19 2ctf s PHE 63 CO 0.03 -0.55 -0.21 0.99 -0.10 0.00 0.00 175.22 175.38 2ctf s THR 64 N 1.48 2.45 0.00 0.64 2.01 -1.23 -5.07 115.64 115.92 2ctf s THR 64 Ca 0.05 -0.92 0.00 0.00 0.31 0.00 0.00 61.69 61.14 2ctf s THR 64 Cb -0.15 -1.94 0.00 0.00 0.01 0.00 0.00 72.50 70.43 2ctf s THR 64 CO -0.03 0.57 0.51 1.21 -0.69 0.00 0.00 174.62 176.19 2ctf n GLU 65 N 2.96 0.00 0.00 4.92 4.07 -1.26 -2.57 120.64 128.75 2ctf n GLU 65 Ca -0.18 0.25 0.00 0.00 -0.06 0.00 0.00 57.16 57.17 2ctf n GLU 65 Cb 0.52 -1.09 0.00 0.00 -0.06 0.00 0.00 31.44 30.81 2ctf n GLU 65 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 2ctf n GLY 66 N 0.21 -2.94 0.59 8.31 0.00 -1.26 -0.30 105.19 109.81 2ctf n GLY 66 Ca 0.00 0.41 0.37 0.00 0.00 0.00 0.00 46.02 46.80 2ctf n GLY 66 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2ctf n GLU 67 N -2.62 0.01 -4.04 1.61 1.02 -1.26 -4.73 120.64 110.64 2ctf n GLU 67 Ca 0.00 1.03 -0.27 0.00 -0.02 0.00 0.00 57.16 57.90 2ctf n GLU 67 Cb 0.00 -2.49 -0.03 0.00 -0.02 0.00 0.00 31.44 28.90 2ctf n GLU 67 CO 0.00 0.00 0.00 -0.40 1.18 0.00 0.00 177.13 177.91 2ctf n ASP 68 N -3.47 -0.55 -3.63 1.62 5.68 0.59 -4.94 116.55 111.86 2ctf n ASP 68 Ca 0.31 -1.04 -0.10 0.00 -0.50 0.00 0.00 54.79 53.45 2ctf n ASP 68 Cb 1.70 -2.83 -0.04 0.00 -1.14 0.00 0.00 41.12 38.81 2ctf n ASP 68 CO 0.00 0.00 0.00 -1.59 -1.33 0.00 0.00 177.20 174.28 2ctf s LYS 69 N -6.71 1.24 -0.25 0.11 -2.85 -1.20 -3.71 119.74 106.37 2ctf s LYS 69 Ca 0.10 -0.72 -0.08 0.00 -1.00 0.00 0.00 55.97 54.28 2ctf s LYS 69 Cb -0.06 0.52 -0.03 0.00 -2.06 0.00 0.00 37.83 36.20 2ctf s LYS 69 CO 0.91 -0.52 0.09 0.42 0.10 0.00 0.00 175.35 176.35 2ctf s ILE 70 N -3.82 4.45 -0.12 3.79 1.01 -0.82 -3.54 121.20 122.15 2ctf s ILE 70 Ca 0.05 -0.12 -0.19 0.00 0.00 0.00 0.00 60.65 60.39 2ctf s ILE 70 Cb 0.00 -3.09 -0.04 0.00 0.01 0.00 0.00 42.46 39.34 2ctf s ILE 70 CO -0.09 0.33 0.51 -0.89 0.00 0.00 0.00 174.94 174.80 2ctf s THR 71 N 1.63 5.16 -0.05 2.92 2.01 -0.90 -0.25 115.64 126.16 2ctf s THR 71 Ca 0.06 1.01 0.05 0.00 0.31 0.00 0.00 61.69 63.12 2ctf s THR 71 Cb -0.15 -3.85 -0.02 0.00 0.01 0.00 0.00 72.50 68.49 2ctf s THR 71 CO 0.05 0.30 -0.19 -0.76 -0.69 0.00 0.00 174.62 173.33 2ctf s LEU 72 N 0.75 2.45 -0.07 4.42 2.01 0.17 -1.63 118.68 126.78 2ctf s LEU 72 Ca 0.27 -0.32 -0.00 0.00 0.01 0.00 0.00 54.13 54.09 2ctf s LEU 72 Cb -0.15 -1.47 0.02 0.00 0.01 0.00 0.00 46.19 44.60 2ctf s LEU 72 CO 0.11 0.31 -0.03 -1.61 1.01 0.00 0.00 176.35 176.14 2ctf s GLU 73 N -0.55 0.89 0.00 1.70 2.02 -0.96 -1.70 118.70 120.10 2ctf s GLU 73 Ca 0.08 -0.06 0.00 0.00 0.02 0.00 0.00 54.97 55.01 2ctf s GLU 73 Cb -0.11 -1.03 0.00 0.00 0.10 0.00 0.00 34.13 33.09 2ctf s GLU 73 CO 0.01 -0.19 0.00 0.41 0.02 0.00 0.00 175.26 175.51 2ctf n GLY 74 N 4.60 -1.18 3.70 -1.39 0.00 -0.59 -1.28 105.19 109.05 2ctf n GLY 74 Ca -0.16 -1.32 -0.42 0.00 0.00 0.00 0.00 46.02 44.12 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 -1.99 4.30 0.56 1.61 0.04 -1.26 -1.68 135.00 136.57 2ctf s PRO 75 Ca 0.00 2.03 0.49 0.00 0.04 0.00 0.00 61.00 63.56 2ctf s PRO 75 Cb 0.00 -3.43 1.72 0.00 0.04 0.00 0.00 34.50 32.83 2ctf s PRO 75 CO 0.00 -0.52 1.60 0.00 0.04 0.00 0.00 177.00 178.12 2ctf h THR 76 N 4.62 0.05 0.24 1.26 1.03 -1.89 0.58 112.91 118.80 2ctf h THR 76 Ca -0.40 0.00 -0.01 0.00 -0.01 0.00 0.00 66.41 65.99 2ctf h THR 76 Cb 1.19 0.05 0.00 0.00 -1.07 0.00 0.00 68.15 68.33 2ctf h THR 76 CO 0.88 0.00 -0.12 -0.08 -0.01 0.00 0.00 175.52 176.20 2ctf h GLU 77 N 0.00 -0.31 0.09 0.00 4.81 -2.00 -2.08 114.58 115.08 2ctf h GLU 77 Ca 0.90 0.02 -0.14 0.00 -0.13 0.00 0.00 59.36 60.01 2ctf h GLU 77 Cb 3.62 0.07 0.02 0.00 0.63 0.00 0.00 28.75 33.09 2ctf h GLU 77 CO -0.01 -0.14 -0.62 -0.44 -0.73 0.00 0.00 179.01 177.07 2ctf h ASP 78 N -0.42 0.39 -0.96 1.04 5.19 -0.39 -3.31 116.42 117.96 2ctf h ASP 78 Ca -0.03 -0.92 0.25 0.00 -0.62 0.00 0.00 57.03 55.71 2ctf h ASP 78 Cb 0.32 -0.12 -0.13 0.00 0.18 0.00 0.00 39.33 39.57 2ctf h ASP 78 CO 0.05 1.28 0.49 0.58 -3.12 0.00 0.00 179.24 178.52 2ctf h VAL 79 N -0.44 0.44 -0.83 -1.35 2.07 -0.70 0.40 116.25 115.85 2ctf h VAL 79 Ca -0.10 -0.15 -0.02 0.00 0.82 0.00 0.00 66.70 67.24 2ctf h VAL 79 Cb 1.45 -0.03 -0.04 0.00 -1.52 0.00 0.00 31.29 31.16 2ctf h VAL 79 CO 0.12 0.08 0.42 0.28 0.02 0.00 0.00 177.57 178.48 2ctf h SER 80 N 0.43 1.06 0.38 0.57 0.02 -1.46 0.11 113.55 114.65 2ctf h SER 80 Ca 0.63 -0.11 -0.02 0.00 -0.84 0.00 0.00 61.79 61.45 2ctf h SER 80 Cb 1.26 -0.27 0.00 0.00 0.14 0.00 0.00 62.40 63.53 2ctf h SER 80 CO -0.54 0.87 -0.18 0.58 -1.14 0.00 0.00 176.83 176.42 2ctf h VAL 81 N 1.17 0.24 -0.14 2.27 2.07 -0.38 -1.96 116.25 119.52 2ctf h VAL 81 Ca 0.29 -0.67 0.04 0.00 0.82 0.00 0.00 66.70 67.18 2ctf h VAL 81 Cb 0.08 0.39 -0.05 0.00 -1.52 0.00 0.00 31.29 30.19 2ctf h VAL 81 CO -0.04 0.06 -0.16 0.00 0.02 0.00 0.00 177.57 177.45 2ctf h ALA 82 N -0.89 -0.07 -0.84 1.67 0.00 -1.01 -0.07 119.26 118.04 2ctf h ALA 82 Ca -0.05 0.05 0.07 0.00 0.00 0.00 0.00 54.91 54.98 2ctf h ALA 82 Cb 0.49 0.33 -0.06 0.00 0.00 0.00 0.00 17.79 18.55 2ctf h ALA 82 CO 0.09 -0.61 0.55 -0.56 0.00 0.00 0.00 179.25 178.72 2ctf h GLN 83 N -0.19 0.88 -0.56 0.00 3.07 -0.89 -1.55 115.11 115.87 2ctf h GLN 83 Ca 0.10 -0.05 -0.11 0.00 0.09 0.00 0.00 58.65 58.68 2ctf h GLN 83 Cb 0.34 -0.20 -0.02 0.00 0.08 0.00 0.00 27.48 27.68 2ctf h GLN 83 CO -0.26 0.58 -0.09 1.49 0.09 0.00 0.00 178.83 180.65 2ctf h GLU 84 N 0.91 1.03 -0.78 0.06 4.22 -0.47 -2.27 114.58 117.28 2ctf h GLU 84 Ca 0.37 -0.37 -0.01 0.00 0.08 0.00 0.00 59.36 59.43 2ctf h GLU 84 Cb 0.26 -0.07 -0.04 0.00 0.50 0.00 0.00 28.75 29.40 2ctf h GLU 84 CO -0.14 1.06 0.46 1.96 -2.18 0.00 0.00 179.01 180.17 2ctf h GLN 85 N 0.92 1.06 -0.29 1.92 4.20 -0.05 -2.63 115.11 120.24 2ctf h GLN 85 Ca 0.15 -0.10 -0.11 0.00 0.06 0.00 0.00 58.65 58.65 2ctf h GLN 85 Cb 0.65 -0.22 -0.00 0.00 0.30 0.00 0.00 27.48 28.20 2ctf h GLN 85 CO 0.04 0.75 -0.27 0.82 -0.67 0.00 0.00 178.83 179.51 2ctf h ILE 86 N 1.08 1.30 -0.79 2.54 2.04 -1.24 -2.96 117.51 119.48 2ctf h ILE 86 Ca 0.28 -1.43 0.18 0.00 1.00 0.00 0.00 64.86 64.89 2ctf h ILE 86 Cb -0.03 1.57 -0.05 0.00 -0.74 0.00 0.00 36.82 37.57 2ctf h ILE 86 CO -0.05 0.46 0.53 -0.33 0.00 0.00 0.00 178.15 178.76 2ctf h GLU 87 N 0.43 0.32 0.13 2.37 5.08 -1.05 0.17 114.58 122.02 2ctf h GLU 87 Ca 0.05 -0.02 -0.01 0.00 -1.00 0.00 0.00 59.36 58.38 2ctf h GLU 87 Cb 0.83 -0.07 0.00 0.00 0.50 0.00 0.00 28.75 30.01 2ctf h GLU 87 CO 0.07 0.21 -0.06 0.78 -1.00 0.00 0.00 179.01 179.01 2ctf h GLY 88 N 0.33 -0.18 1.68 -3.84 0.00 -1.37 -1.84 103.07 97.85 2ctf h GLY 88 Ca 0.39 0.07 -0.02 0.00 0.00 0.00 0.00 47.33 47.77 2ctf h GLY 88 CO -0.11 -0.06 0.12 0.00 0.00 0.00 0.00 176.54 176.48 2ctf h MET 89 N -0.81 0.42 -0.23 4.80 -0.00 -1.27 0.26 114.93 118.10 2ctf h MET 89 Ca -0.02 -0.05 -0.14 0.00 -0.00 0.00 0.00 59.70 59.50 2ctf h MET 89 Cb 0.55 -0.08 0.00 0.00 -0.00 0.00 0.00 31.60 32.07 2ctf h MET 89 CO 0.03 0.35 -0.40 0.28 -0.00 0.00 0.00 176.91 177.17 2ctf h VAL 90 N 0.42 1.31 0.00 -0.10 2.07 -0.74 -1.94 116.25 117.28 2ctf h VAL 90 Ca 0.11 -1.61 -0.10 0.00 0.82 0.00 0.00 66.70 65.92 2ctf h VAL 90 Cb 0.09 1.78 -0.01 0.00 -1.52 0.00 0.00 31.29 31.63 2ctf h VAL 90 CO -0.01 0.51 -0.47 0.50 0.02 0.00 0.00 177.57 178.11 2ctf h LYS 91 N 0.38 0.00 -0.08 1.57 3.64 -0.89 -2.85 116.57 118.34 2ctf h LYS 91 Ca 0.01 0.00 -0.14 0.00 -1.27 0.00 0.00 60.65 59.26 2ctf h LYS 91 Cb 1.00 0.00 0.01 0.00 -0.41 0.00 0.00 32.23 32.82 2ctf h LYS 91 CO 0.09 0.47 -0.48 0.22 -2.27 0.00 0.00 179.45 177.48 2ctf h ASP 92 N 0.00 0.57 -0.32 4.20 3.58 -0.89 -1.40 116.42 122.15 2ctf h ASP 92 Ca -0.00 -0.66 0.00 0.00 0.42 0.00 0.00 57.03 56.79 2ctf h ASP 92 Cb 0.95 -0.17 -0.02 0.00 1.72 0.00 0.00 39.33 41.81 2ctf h ASP 92 CO 0.06 1.14 0.21 -0.07 -2.88 0.00 0.00 179.24 177.70 2ctf h LEU 93 N 0.04 0.36 -0.79 2.28 3.38 -1.32 0.41 115.31 119.68 2ctf h LEU 93 Ca -0.04 -0.01 -0.12 0.00 0.09 0.00 0.00 57.88 57.80 2ctf h LEU 93 Cb 1.14 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 41.78 2ctf h LEU 93 CO 0.10 0.26 -0.43 0.40 0.09 0.00 0.00 178.44 178.86 2ctf h ILE 94 N 0.43 1.31 -0.12 1.22 2.04 -1.57 0.42 117.51 121.25 2ctf h ILE 94 Ca 0.12 -1.59 -0.11 0.00 1.00 0.00 0.00 64.86 64.27 2ctf h ILE 94 Cb -0.05 1.66 -0.01 0.00 -0.74 0.00 0.00 36.82 37.68 2ctf h ILE 94 CO -0.03 0.49 -0.43 0.78 0.00 0.00 0.00 178.15 178.96 2ctf h ASN 95 N 0.32 0.28 0.63 1.72 2.35 -0.83 -3.08 115.58 116.96 2ctf h ASN 95 Ca 0.03 -0.12 -0.18 0.00 -0.55 0.00 0.00 56.30 55.47 2ctf h ASN 95 Cb 0.89 -0.08 -0.03 0.00 0.05 0.00 0.00 38.32 39.15 2ctf h ASN 95 CO 0.07 0.68 -1.50 -2.11 -1.65 0.00 0.00 177.43 172.92 2ctf n ARG 96 N -4.01 0.63 -2.76 0.81 1.85 0.10 -4.72 116.66 108.55 2ctf n ARG 96 Ca -0.02 0.20 -0.42 0.00 -1.00 0.00 0.00 57.85 56.61 2ctf n ARG 96 Cb 0.49 -1.78 -0.03 0.00 -1.05 0.00 0.00 32.46 30.09 2ctf n ARG 96 CO 0.00 0.00 0.00 0.45 -0.01 0.00 0.00 177.63 178.07 2ctf s SER 97 N -5.74 6.31 -0.46 2.89 0.15 0.15 -4.86 113.70 112.14 2ctf s SER 97 Ca -0.04 -1.14 0.04 0.00 0.70 0.00 0.00 55.95 55.51 2ctf s SER 97 Cb 0.09 -2.47 0.19 0.00 -1.71 0.00 0.00 66.02 62.12 2ctf s SER 97 CO 0.82 -1.47 0.78 -0.83 1.20 0.00 0.00 173.24 173.74 2ctf s GLY 98 N 3.88 -1.38 0.09 9.45 0.00 -1.26 -4.80 107.32 113.31 2ctf s GLY 98 Ca 0.31 -0.04 -0.15 0.00 0.00 0.00 0.00 44.72 44.83 2ctf s GLY 98 CO 0.04 3.79 1.42 -0.56 0.00 0.00 0.00 173.10 177.79 2ctf h PRO 99 N 5.35 0.66 -4.03 2.90 0.13 -1.99 -3.47 132.00 131.54 2ctf h PRO 99 Ca 0.04 -0.34 -0.17 0.00 -0.87 0.00 0.00 66.00 64.66 2ctf h PRO 99 Cb 1.14 0.01 -0.10 0.00 0.13 0.00 0.00 31.00 32.18 2ctf h PRO 99 CO 0.01 0.95 -0.26 -1.54 -0.23 0.00 0.00 178.00 176.93 2ctf s SER 100 N -6.48 0.30 -0.12 1.44 1.04 -1.26 -5.16 113.70 103.45 2ctf s SER 100 Ca -0.13 -1.22 -0.06 0.00 0.48 0.00 0.00 55.95 55.02 2ctf s SER 100 Cb 0.08 0.56 -0.04 0.00 0.10 0.00 0.00 66.02 66.73 2ctf s SER 100 CO 0.82 -1.12 0.11 -0.44 0.98 0.00 0.00 173.24 173.58 2ctf s SER 101 N -3.12 6.09 0.00 7.02 0.01 -1.26 -5.23 113.70 117.21 2ctf s SER 101 Ca 0.29 0.36 0.00 0.00 1.31 0.00 0.00 55.95 57.91 2ctf s SER 101 Cb 0.01 -1.94 0.00 0.00 0.21 0.00 0.00 66.02 64.30 2ctf s SER 101 CO 0.13 0.37 0.00 0.61 0.41 0.00 0.00 173.24 174.76