#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3fjs n SER 8 N 0.00 3.37 0.00 6.43 2.88 -1.26 -1.06 113.62 123.98 3fjs n SER 8 Ca 0.00 1.08 0.00 0.00 -1.33 0.00 0.00 58.87 58.62 3fjs n SER 8 Cb 0.00 -1.47 0.00 0.00 -0.75 0.00 0.00 64.21 61.99 3fjs n SER 8 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 3fjs n GLY 9 N 3.53 1.94 3.77 0.46 0.00 -1.26 -5.06 105.19 108.56 3fjs n GLY 9 Ca 0.16 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.81 3fjs n GLY 9 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3fjs s GLU 10 N -0.65 3.76 -0.05 1.61 0.41 -0.22 -5.05 118.70 118.52 3fjs s GLU 10 Ca 0.00 1.92 0.04 0.00 -0.41 0.00 0.00 54.97 56.53 3fjs s GLU 10 Cb 0.00 -2.50 -0.00 0.00 -1.78 0.00 0.00 34.13 29.85 3fjs s GLU 10 CO 0.00 -0.59 -0.18 0.08 -0.49 0.00 0.00 175.26 174.08 3fjs s VAL 11 N -1.43 1.48 0.13 2.63 1.01 -1.26 -4.95 120.40 118.00 3fjs s VAL 11 Ca 0.62 -0.74 0.11 0.00 0.00 0.00 0.00 61.98 61.97 3fjs s VAL 11 Cb -0.32 -1.28 -0.04 0.00 0.00 0.00 0.00 36.38 34.74 3fjs s VAL 11 CO 0.40 0.43 -0.26 0.00 0.00 0.00 0.00 175.10 175.66 3fjs s ALA 12 N 0.09 2.32 -0.23 5.51 0.00 -1.26 -5.13 121.76 123.05 3fjs s ALA 12 Ca -0.05 -1.44 -0.10 0.00 0.00 0.00 0.00 51.96 50.36 3fjs s ALA 12 Cb -0.12 -0.37 -0.05 0.00 0.00 0.00 0.00 23.12 22.58 3fjs s ALA 12 CO 0.03 0.52 0.14 0.45 0.00 0.00 0.00 175.76 176.90 3fjs s SER 13 N -2.03 6.00 -0.28 0.00 0.15 -1.26 -4.96 113.70 111.32 3fjs s SER 13 Ca 0.13 0.10 0.09 0.00 0.70 0.00 0.00 55.95 56.98 3fjs s SER 13 Cb -0.10 -2.07 0.51 0.00 -1.71 0.00 0.00 66.02 62.64 3fjs s SER 13 CO 0.06 0.09 1.46 1.33 1.20 0.00 0.00 173.24 177.37 3fjs n VAL 14 N 4.14 2.53 -1.62 4.45 0.24 -1.26 -5.04 118.33 121.77 3fjs n VAL 14 Ca -0.15 -2.72 -0.34 0.00 -2.04 0.00 0.00 64.34 59.08 3fjs n VAL 14 Cb 0.52 -0.32 0.07 0.00 -1.47 0.00 0.00 33.84 32.65 3fjs n VAL 14 CO 0.00 0.00 0.00 -0.76 -2.14 0.00 0.00 176.83 173.93 3fjs s LEU 15 N -3.23 3.41 0.25 1.34 1.43 -1.26 -4.92 118.68 115.70 3fjs s LEU 15 Ca 0.44 2.31 -0.30 0.00 -1.03 0.00 0.00 54.13 55.55 3fjs s LEU 15 Cb 0.40 -4.59 -0.14 0.00 0.03 0.00 0.00 46.19 41.89 3fjs s LEU 15 CO -0.00 -2.00 1.13 -2.65 0.23 0.00 0.00 176.35 173.06 3fjs n PRO 16 N -2.40 1.43 0.12 1.29 -0.02 -1.26 -4.90 135.00 129.25 3fjs n PRO 16 Ca 0.13 0.51 -0.02 0.00 -2.02 0.00 0.00 63.50 62.10 3fjs n PRO 16 Cb 0.50 -1.97 0.07 0.00 -0.02 0.00 0.00 33.50 32.08 3fjs n PRO 16 CO 0.00 0.00 0.00 -0.07 1.98 0.00 0.00 175.50 177.41 3fjs h LEU 17 N 2.78 0.00 0.00 2.45 3.38 -1.93 -3.49 115.31 118.50 3fjs h LEU 17 Ca -0.42 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.55 3fjs h LEU 17 Cb 1.33 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.08 3fjs h LEU 17 CO 0.66 0.72 0.00 0.61 0.09 0.00 0.00 178.44 180.51 3fjs n GLY 18 N 0.75 3.88 0.31 0.83 0.00 -1.26 -1.94 105.19 107.76 3fjs n GLY 18 Ca -0.00 0.13 0.07 0.00 0.00 0.00 0.00 46.02 46.21 3fjs n GLY 18 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3fjs h LYS 19 N 0.00 0.66 0.00 1.61 1.57 -2.05 -2.08 116.57 116.28 3fjs h LYS 19 Ca 0.00 -0.04 0.00 0.00 -1.87 0.00 0.00 60.65 58.74 3fjs h LYS 19 Cb 0.00 -0.15 0.00 0.00 0.08 0.00 0.00 32.23 32.16 3fjs h LYS 19 CO 0.00 0.44 0.00 1.04 -0.57 0.00 0.00 179.45 180.36 3fjs n GLN 20 N -4.83 0.75 -0.04 3.15 1.13 -0.82 -4.30 117.38 112.42 3fjs n GLN 20 Ca 0.17 0.01 -0.09 0.00 -1.94 0.00 0.00 57.00 55.15 3fjs n GLN 20 Cb 0.41 -1.50 -0.02 0.00 0.11 0.00 0.00 30.24 29.24 3fjs n GLN 20 CO 0.00 0.00 0.00 1.25 -1.44 0.00 0.00 177.06 176.87 3fjs h LEU 21 N 0.00 -0.05 -1.52 1.08 6.46 -1.47 -2.38 115.31 117.44 3fjs h LEU 21 Ca 0.00 0.04 0.00 0.00 -0.12 0.00 0.00 57.88 57.80 3fjs h LEU 21 Cb 0.06 0.07 0.00 0.00 -0.73 0.00 0.00 40.66 40.05 3fjs h LEU 21 CO 0.00 0.00 0.00 0.71 -0.62 0.00 0.00 178.44 178.53 3fjs h THR 22 N 0.08 0.00 -0.02 1.05 1.35 -1.82 -1.80 112.91 111.75 3fjs h THR 22 Ca 0.09 -0.27 0.00 0.00 -0.55 0.00 0.00 66.41 65.69 3fjs h THR 22 Cb 0.11 1.12 0.00 0.00 -1.73 0.00 0.00 68.15 67.65 3fjs h THR 22 CO -0.15 0.00 -0.20 0.00 -0.25 0.00 0.00 175.52 174.92 3fjs n GLN 23 N -2.72 1.67 -3.66 4.72 6.02 -0.93 -4.92 117.38 117.55 3fjs n GLN 23 Ca 0.00 -1.30 -0.38 0.00 -0.01 0.00 0.00 57.00 55.31 3fjs n GLN 23 Cb 0.20 -1.47 -0.12 0.00 1.02 0.00 0.00 30.24 29.87 3fjs n GLN 23 CO 0.00 0.00 0.00 0.99 -1.01 0.00 0.00 177.06 177.04 3fjs s THR 24 N -2.23 4.67 0.72 5.09 2.01 -0.68 -5.10 115.64 120.13 3fjs s THR 24 Ca 0.25 -0.28 -0.11 0.00 0.31 0.00 0.00 61.69 61.86 3fjs s THR 24 Cb 0.19 -3.32 0.02 0.00 0.01 0.00 0.00 72.50 69.41 3fjs s THR 24 CO 0.43 0.15 1.09 -2.16 -0.69 0.00 0.00 174.62 173.43 3fjs s PRO 25 N 1.64 2.71 0.52 4.92 0.04 -1.26 -4.80 135.00 138.76 3fjs s PRO 25 Ca 0.05 0.61 -0.21 0.00 0.04 0.00 0.00 61.00 61.49 3fjs s PRO 25 Cb -0.16 -1.99 -0.06 0.00 0.04 0.00 0.00 34.50 32.33 3fjs s PRO 25 CO 0.07 -1.17 1.24 -1.12 0.04 0.00 0.00 177.00 176.05 3fjs s SER 26 N -4.13 5.64 0.00 6.66 0.01 -1.26 -4.77 113.70 115.85 3fjs s SER 26 Ca 0.59 2.47 -0.18 0.00 1.31 0.00 0.00 55.95 60.14 3fjs s SER 26 Cb -0.12 -2.61 0.03 0.00 0.21 0.00 0.00 66.02 63.53 3fjs s SER 26 CO 0.53 -1.29 0.39 0.00 0.41 0.00 0.00 173.24 173.28 3fjs s ALA 27 N -1.48 -0.98 0.24 1.44 0.00 0.02 -4.97 121.76 116.03 3fjs s ALA 27 Ca 0.70 0.43 -0.30 0.00 0.00 0.00 0.00 51.96 52.78 3fjs s ALA 27 Cb -0.33 0.17 -0.09 0.00 0.00 0.00 0.00 23.12 22.87 3fjs s ALA 27 CO 0.38 -0.35 0.95 0.00 0.00 0.00 0.00 175.76 176.75 3fjs s ALA 28 N -1.77 3.34 -0.20 0.00 0.00 -1.26 -0.66 121.76 121.21 3fjs s ALA 28 Ca -0.10 0.64 -0.14 0.00 0.00 0.00 0.00 51.96 52.36 3fjs s ALA 28 Cb -0.03 -3.22 -0.08 0.00 0.00 0.00 0.00 23.12 19.79 3fjs s ALA 28 CO 0.02 0.17 -0.31 1.28 0.00 0.00 0.00 175.76 176.92 3fjs n LEU 29 N 1.51 1.78 -4.04 0.00 4.77 0.34 -4.90 117.00 116.46 3fjs n LEU 29 Ca -0.02 0.30 -0.20 0.00 -0.03 0.00 0.00 56.01 56.07 3fjs n LEU 29 Cb 0.47 -0.70 -0.15 0.00 -2.33 0.00 0.00 43.42 40.70 3fjs n LEU 29 CO 0.50 0.09 -0.44 -0.36 -1.33 0.00 0.00 177.39 175.85 3fjs s PHE 30 N -2.62 0.96 -0.05 -1.77 0.08 -0.83 -4.97 117.98 108.77 3fjs s PHE 30 Ca -0.30 -0.20 -0.00 0.00 0.12 0.00 0.00 56.93 56.55 3fjs s PHE 30 Cb 0.08 -0.63 0.03 0.00 -0.57 0.00 0.00 43.02 41.93 3fjs s PHE 30 CO 0.40 -0.04 -0.01 0.21 -0.10 0.00 0.00 175.22 175.69 3fjs s LYS 31 N -0.15 0.57 0.18 0.44 2.47 -1.26 -0.65 119.74 121.33 3fjs s LYS 31 Ca 0.02 0.05 -0.11 0.00 -1.56 0.00 0.00 55.97 54.36 3fjs s LYS 31 Cb -0.05 -0.79 0.00 0.00 -1.46 0.00 0.00 37.83 35.53 3fjs s LYS 31 CO -0.00 -0.19 0.36 -2.00 0.16 0.00 0.00 175.35 173.67 3fjs s GLU 32 N 1.42 1.23 0.40 4.03 2.12 0.67 -4.96 118.70 123.61 3fjs s GLU 32 Ca -0.04 -1.09 0.19 0.00 0.36 0.00 0.00 54.97 54.40 3fjs s GLU 32 Cb -0.13 0.42 1.12 0.00 0.26 0.00 0.00 34.13 35.80 3fjs s GLU 32 CO -0.03 -0.48 1.77 1.12 -0.54 0.00 0.00 175.26 177.10 3fjs h HIS 33 N 2.44 0.65 -0.04 5.30 -0.00 -2.01 -2.89 115.15 118.59 3fjs h HIS 33 Ca -0.31 0.02 0.00 0.00 -0.00 0.00 0.00 60.37 60.09 3fjs h HIS 33 Cb 1.24 -0.19 0.00 0.00 -0.00 0.00 0.00 27.41 28.46 3fjs h HIS 33 CO 0.39 0.05 0.00 0.54 -0.00 0.00 0.00 177.93 178.90 3fjs n ARG 34 N -4.63 0.54 -3.68 5.12 1.74 -1.26 -4.74 116.66 109.75 3fjs n ARG 34 Ca 0.26 -1.04 -0.12 0.00 -0.77 0.00 0.00 57.85 56.17 3fjs n ARG 34 Cb 0.90 -1.10 -0.09 0.00 -1.02 0.00 0.00 32.46 31.15 3fjs n ARG 34 CO 0.00 0.00 0.00 -1.17 -1.52 0.00 0.00 177.63 174.94 3fjs s LEU 35 N -0.56 -0.21 -0.04 0.55 2.96 -1.09 -0.91 118.68 119.37 3fjs s LEU 35 Ca 0.07 1.13 0.01 0.00 -0.22 0.00 0.00 54.13 55.12 3fjs s LEU 35 Cb 0.04 1.89 0.02 0.00 0.50 0.00 0.00 46.19 48.64 3fjs s LEU 35 CO 0.06 -0.20 -0.04 -0.70 -1.32 0.00 0.00 176.35 174.15 3fjs s GLU 36 N 0.58 0.79 0.23 1.98 2.12 -0.54 -0.24 118.70 123.63 3fjs s GLU 36 Ca -0.02 -0.09 0.10 0.00 0.36 0.00 0.00 54.97 55.32 3fjs s GLU 36 Cb -0.05 -0.83 -0.05 0.00 0.26 0.00 0.00 34.13 33.47 3fjs s GLU 36 CO -0.03 -0.09 -0.18 0.08 -0.54 0.00 0.00 175.26 174.49 3fjs s VAL 37 N 0.97 2.12 0.15 3.70 1.01 0.17 -0.50 120.40 128.01 3fjs s VAL 37 Ca -0.10 -2.26 0.03 0.00 0.00 0.00 0.00 61.98 59.65 3fjs s VAL 37 Cb -0.14 -2.14 -0.01 0.00 0.00 0.00 0.00 36.38 34.09 3fjs s VAL 37 CO -0.00 -0.45 0.11 -1.14 0.00 0.00 0.00 175.10 173.61 3fjs n ARG 39 N -0.38 0.33 -3.40 2.72 0.63 0.16 -0.50 116.66 116.22 3fjs n ARG 39 Ca -0.07 -1.43 0.01 0.00 -0.92 0.00 0.00 57.85 55.44 3fjs n ARG 39 Cb 0.60 1.07 -0.04 0.00 0.45 0.00 0.00 32.46 34.54 3fjs n ARG 39 CO 0.00 0.00 0.00 0.08 -2.51 0.00 0.00 177.63 175.20 3fjs s VAL 41 N -2.48 -0.39 -0.15 5.15 1.01 -1.26 -0.80 120.40 121.47 3fjs s VAL 41 Ca 0.15 0.00 0.00 0.00 0.00 0.00 0.00 61.98 62.13 3fjs s VAL 41 Cb 0.01 -1.00 0.03 0.00 0.00 0.00 0.00 36.38 35.41 3fjs s VAL 41 CO 0.11 0.00 -0.11 -0.76 0.00 0.00 0.00 175.10 174.33 3fjs s LEU 42 N 2.28 1.63 0.80 3.92 1.43 -0.08 -4.65 118.68 124.01 3fjs s LEU 42 Ca -0.03 -0.51 -0.11 0.00 -1.03 0.00 0.00 54.13 52.45 3fjs s LEU 42 Cb -0.05 -1.08 0.07 0.00 0.03 0.00 0.00 46.19 45.17 3fjs s LEU 42 CO -0.17 -0.10 1.09 -2.16 0.23 0.00 0.00 176.35 175.24 3fjs s PRO 43 N 1.55 2.05 0.10 1.29 0.04 -1.26 -0.62 135.00 138.15 3fjs s PRO 43 Ca 0.04 0.83 -0.35 0.00 0.04 0.00 0.00 61.00 61.56 3fjs s PRO 43 Cb -0.13 -1.90 -0.14 0.00 0.04 0.00 0.00 34.50 32.36 3fjs s PRO 43 CO -0.09 -1.69 1.55 0.00 0.04 0.00 0.00 177.00 176.80 3fjs n ALA 44 N -3.51 0.66 0.00 8.56 0.00 -1.25 -1.92 120.51 123.06 3fjs n ALA 44 Ca 0.07 0.45 0.00 0.00 0.00 0.00 0.00 53.44 53.96 3fjs n ALA 44 Cb 0.55 -2.29 0.00 0.00 0.00 0.00 0.00 19.45 17.71 3fjs n ALA 44 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3fjs n GLY 45 N 3.30 2.16 3.71 0.00 0.00 0.48 -4.93 105.19 109.90 3fjs n GLY 45 Ca 0.18 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.78 3fjs n GLY 45 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3fjs s LYS 46 N -0.67 4.21 -0.00 1.61 2.47 -0.81 -4.76 119.74 121.79 3fjs s LYS 46 Ca 0.00 2.35 0.07 0.00 -1.56 0.00 0.00 55.97 56.84 3fjs s LYS 46 Cb 0.00 -3.31 -0.02 0.00 -1.46 0.00 0.00 37.83 33.03 3fjs s LYS 46 CO 0.00 -0.65 -0.23 -0.65 0.16 0.00 0.00 175.35 173.98 3fjs s GLN 47 N 1.68 2.11 -0.15 4.03 -0.21 -1.26 -0.91 119.66 124.94 3fjs s GLN 47 Ca 0.71 -0.93 0.01 0.00 0.02 0.00 0.00 55.36 55.17 3fjs s GLN 47 Cb -0.42 -2.11 0.00 0.00 1.00 0.00 0.00 33.01 31.48 3fjs s GLN 47 CO 0.32 0.56 -0.17 0.08 -2.12 0.00 0.00 175.29 173.95 3fjs s VAL 48 N -0.72 2.47 1.21 1.09 1.01 0.15 -4.98 120.40 120.62 3fjs s VAL 48 Ca 0.11 -0.84 -0.15 0.00 0.00 0.00 0.00 61.98 61.11 3fjs s VAL 48 Cb -0.10 -2.03 0.30 0.00 0.00 0.00 0.00 36.38 34.54 3fjs s VAL 48 CO 0.01 0.52 1.02 -0.83 0.00 0.00 0.00 175.10 175.82 3fjs s GLY 49 N 0.87 1.52 0.13 4.51 0.00 -1.26 -1.21 107.32 111.87 3fjs s GLY 49 Ca -0.05 -0.34 -0.31 0.00 0.00 0.00 0.00 44.72 44.02 3fjs s GLY 49 CO -0.02 0.44 1.73 -0.45 0.00 0.00 0.00 173.10 174.80 3fjs s SER 50 N -2.79 6.48 0.31 1.64 0.15 -1.26 -4.43 113.70 113.81 3fjs s SER 50 Ca 0.68 2.69 -0.16 0.00 0.70 0.00 0.00 55.95 59.86 3fjs s SER 50 Cb -0.22 -2.57 0.02 0.00 -1.71 0.00 0.00 66.02 61.54 3fjs s SER 50 CO 0.63 -0.95 0.67 -1.38 1.20 0.00 0.00 173.24 173.41 3fjs s HIS 51 N 2.26 0.14 0.21 3.44 -3.43 -0.08 -4.90 115.29 112.94 3fjs s HIS 51 Ca 0.77 -0.63 -0.18 0.00 -0.80 0.00 0.00 55.06 54.21 3fjs s HIS 51 Cb -0.45 0.57 0.03 0.00 -1.43 0.00 0.00 32.58 31.30 3fjs s HIS 51 CO 0.34 -1.29 0.56 -1.54 -2.00 0.00 0.00 174.74 170.81 3fjs s SER 52 N -3.02 -0.27 0.14 7.38 1.04 -1.26 -0.35 113.70 117.35 3fjs s SER 52 Ca 0.17 -0.50 0.11 0.00 0.48 0.00 0.00 55.95 56.20 3fjs s SER 52 Cb -0.04 0.61 -0.04 0.00 0.10 0.00 0.00 66.02 66.65 3fjs s SER 52 CO 0.10 -1.11 -0.26 0.68 0.98 0.00 0.00 173.24 173.64 3fjs s VAL 53 N -3.88 2.21 0.15 5.02 -7.23 -1.26 -5.01 120.40 110.40 3fjs s VAL 53 Ca 0.10 -1.77 -0.17 0.00 -1.81 0.00 0.00 61.98 58.33 3fjs s VAL 53 Cb -0.02 -1.97 0.03 0.00 0.56 0.00 0.00 36.38 34.99 3fjs s VAL 53 CO -0.01 0.05 1.71 0.00 -0.31 0.00 0.00 175.10 176.54 3fjs h ALA 54 N 3.81 0.32 -1.73 1.32 0.00 -1.96 -0.24 119.26 120.78 3fjs h ALA 54 Ca -0.50 0.09 -0.44 0.00 0.00 0.00 0.00 54.91 54.05 3fjs h ALA 54 Cb 1.18 0.14 0.05 0.00 0.00 0.00 0.00 17.79 19.16 3fjs h ALA 54 CO 0.40 -0.38 -0.01 0.20 0.00 0.00 0.00 179.25 179.46 3fjs s GLY 55 N -2.79 1.81 0.87 0.00 0.00 -1.25 -2.61 107.32 103.35 3fjs s GLY 55 Ca -0.13 -1.41 -0.11 0.00 0.00 0.00 0.00 44.72 43.07 3fjs s GLY 55 CO 0.70 -1.07 1.10 2.56 0.00 0.00 0.00 173.10 176.39 3fjs s PRO 56 N -4.84 1.45 0.17 2.90 0.04 -1.26 -4.13 135.00 129.34 3fjs s PRO 56 Ca 0.59 1.12 -0.19 0.00 0.04 0.00 0.00 61.00 62.56 3fjs s PRO 56 Cb -0.09 -1.81 0.04 0.00 0.04 0.00 0.00 34.50 32.68 3fjs s PRO 56 CO 0.40 -2.19 0.52 -1.54 0.04 0.00 0.00 177.00 174.23 3fjs s SER 57 N -3.18 -0.34 0.04 6.66 1.04 -0.37 -1.03 113.70 116.52 3fjs s SER 57 Ca 0.64 -0.30 0.07 0.00 0.48 0.00 0.00 55.95 56.83 3fjs s SER 57 Cb -0.19 0.56 -0.02 0.00 0.10 0.00 0.00 66.02 66.47 3fjs s SER 57 CO 0.57 -0.99 -0.19 0.42 0.98 0.00 0.00 173.24 174.04 3fjs s THR 58 N -3.82 1.53 -0.18 2.02 -4.23 -0.08 -0.25 115.64 110.62 3fjs s THR 58 Ca 0.05 -1.14 0.00 0.00 -1.18 0.00 0.00 61.69 59.42 3fjs s THR 58 Cb -0.00 -1.34 0.04 0.00 1.34 0.00 0.00 72.50 72.54 3fjs s THR 58 CO -0.08 0.16 -0.09 -0.63 -0.54 0.00 0.00 174.62 173.44 3fjs s ILE 59 N -0.80 1.46 -0.18 2.99 1.01 -0.16 -1.16 121.20 124.35 3fjs s ILE 59 Ca 0.06 -0.82 -0.07 0.00 0.00 0.00 0.00 60.65 59.82 3fjs s ILE 59 Cb -0.09 -1.54 -0.04 0.00 0.01 0.00 0.00 42.46 40.81 3fjs s ILE 59 CO 0.02 0.20 0.04 -1.58 0.00 0.00 0.00 174.94 173.62 3fjs s GLN 60 N 1.49 3.89 -0.49 2.79 0.74 0.60 -0.29 119.66 128.39 3fjs s GLN 60 Ca 0.00 -0.39 -0.24 0.00 0.05 0.00 0.00 55.36 54.79 3fjs s GLN 60 Cb -0.15 -3.16 0.03 0.00 1.10 0.00 0.00 33.01 30.83 3fjs s GLN 60 CO -0.08 0.23 0.86 0.00 -0.55 0.00 0.00 175.29 175.75 3fjs h LEU 62 N 10.52 0.03 -7.21 0.00 3.38 -1.46 0.19 115.31 120.76 3fjs h LEU 62 Ca -0.25 -0.03 0.13 0.00 0.09 0.00 0.00 57.88 57.82 3fjs h LEU 62 Cb 1.08 -0.01 -0.13 0.00 0.09 0.00 0.00 40.66 41.69 3fjs h LEU 62 CO 1.02 1.02 0.50 -1.83 0.09 0.00 0.00 178.44 179.24 3fjs s GLU 63 N -2.71 0.93 2.30 1.13 -1.05 -1.23 -4.57 118.70 113.50 3fjs s GLU 63 Ca 0.01 -0.41 0.00 0.00 -0.15 0.00 0.00 54.97 54.41 3fjs s GLU 63 Cb 0.10 0.38 0.00 0.00 -0.44 0.00 0.00 34.13 34.17 3fjs s GLU 63 CO 0.82 -0.42 0.00 0.41 0.95 0.00 0.00 175.26 177.03 3fjs n GLY 64 N -0.32 -0.70 2.94 -3.83 0.00 -1.26 -3.11 105.19 98.92 3fjs n GLY 64 Ca -0.08 -1.15 -0.16 0.00 0.00 0.00 0.00 46.02 44.63 3fjs n GLY 64 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3fjs s GLU 65 N 0.00 0.47 -0.04 1.61 2.02 -1.26 -3.40 118.70 118.10 3fjs s GLU 65 Ca 0.00 -0.16 -0.07 0.00 0.02 0.00 0.00 54.97 54.75 3fjs s GLU 65 Cb 0.00 -0.47 0.01 0.00 0.10 0.00 0.00 34.13 33.77 3fjs s GLU 65 CO 0.00 0.08 0.17 0.54 0.02 0.00 0.00 175.26 176.07 3fjs s VAL 66 N 0.07 0.04 -0.20 2.63 0.11 -1.05 -1.53 120.40 120.47 3fjs s VAL 66 Ca -0.00 -0.31 -0.06 0.00 -2.93 0.00 0.00 61.98 58.67 3fjs s VAL 66 Cb -0.04 -0.35 -0.03 0.00 -1.53 0.00 0.00 36.38 34.42 3fjs s VAL 66 CO -0.00 -0.17 0.04 -1.61 -3.33 0.00 0.00 175.10 170.03 3fjs s GLU 67 N -0.58 3.77 -0.26 1.54 2.02 0.84 -0.60 118.70 125.42 3fjs s GLU 67 Ca -0.07 -0.44 -0.05 0.00 0.02 0.00 0.00 54.97 54.43 3fjs s GLU 67 Cb -0.04 -3.18 0.01 0.00 0.10 0.00 0.00 34.13 31.02 3fjs s GLU 67 CO 0.01 0.08 0.01 0.42 0.02 0.00 0.00 175.26 175.80 3fjs s ILE 68 N 0.85 3.51 -0.18 -1.63 -1.09 0.62 -0.58 121.20 122.72 3fjs s ILE 68 Ca 0.02 -0.74 -0.27 0.00 -2.23 0.00 0.00 60.65 57.43 3fjs s ILE 68 Cb -0.14 -2.76 -0.01 0.00 -1.58 0.00 0.00 42.46 37.98 3fjs s ILE 68 CO 0.02 0.19 0.92 -0.83 -1.23 0.00 0.00 174.94 174.01 3fjs s GLY 69 N 1.44 2.03 -0.03 6.18 0.00 -0.57 -0.07 107.32 116.31 3fjs s GLY 69 Ca 0.03 0.12 -0.03 0.00 0.00 0.00 0.00 44.72 44.84 3fjs s GLY 69 CO -0.01 1.86 0.09 -1.34 0.00 0.00 0.00 173.10 173.69 3fjs s VAL 70 N 2.43 0.00 -1.52 1.40 -7.23 -0.21 -2.41 120.40 112.86 3fjs s VAL 70 Ca 0.41 -0.00 -0.13 0.00 -1.81 0.00 0.00 61.98 60.45 3fjs s VAL 70 Cb -0.16 -0.13 0.08 0.00 0.56 0.00 0.00 36.38 36.73 3fjs s VAL 70 CO 0.12 -0.00 0.95 0.47 -0.31 0.00 0.00 175.10 176.32 3fjs n ASP 71 N 3.03 -4.41 -1.67 4.85 8.00 -1.26 -1.95 116.55 123.15 3fjs n ASP 71 Ca -0.12 -0.79 -0.15 0.00 0.71 0.00 0.00 54.79 54.44 3fjs n ASP 71 Cb 0.59 -3.85 -0.01 0.00 -0.02 0.00 0.00 41.12 37.84 3fjs n ASP 71 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3fjs n GLY 72 N -1.68 -0.19 3.37 0.44 0.00 -1.26 -5.01 105.19 100.86 3fjs n GLY 72 Ca 0.01 -0.27 -0.13 0.00 0.00 0.00 0.00 46.02 45.64 3fjs n GLY 72 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3fjs s ALA 73 N -2.73 -1.19 -0.01 4.61 0.00 -0.82 -5.15 121.76 116.48 3fjs s ALA 73 Ca 0.00 1.41 -0.30 0.00 0.00 0.00 0.00 51.96 53.07 3fjs s ALA 73 Cb 0.00 -0.82 -0.03 0.00 0.00 0.00 0.00 23.12 22.27 3fjs s ALA 73 CO 0.00 -0.24 1.00 -0.65 0.00 0.00 0.00 175.76 175.87 3fjs s GLN 74 N 0.44 4.54 -0.32 0.00 -1.52 -1.26 -1.05 119.66 120.49 3fjs s GLN 74 Ca -0.02 1.44 -0.09 0.00 -1.95 0.00 0.00 55.36 54.74 3fjs s GLN 74 Cb -0.04 -3.46 0.00 0.00 -0.22 0.00 0.00 33.01 29.29 3fjs s GLN 74 CO -0.02 -0.09 0.15 1.03 -0.25 0.00 0.00 175.29 176.11 3fjs s ARG 75 N 1.11 3.18 -0.41 2.91 1.81 0.91 -4.92 118.95 123.53 3fjs s ARG 75 Ca 0.52 -0.82 -0.26 0.00 -1.72 0.00 0.00 55.73 53.45 3fjs s ARG 75 Cb -0.21 -3.56 0.02 0.00 -0.45 0.00 0.00 34.95 30.75 3fjs s ARG 75 CO 0.27 -0.48 0.92 0.50 -0.68 0.00 0.00 175.30 175.83 3fjs s ARG 76 N 1.58 3.69 -0.07 3.54 6.06 -1.26 -0.27 118.95 132.21 3fjs s ARG 76 Ca 0.04 0.37 -0.04 0.00 -2.50 0.00 0.00 55.73 53.59 3fjs s ARG 76 Cb -0.18 -3.86 -0.04 0.00 0.06 0.00 0.00 34.95 30.93 3fjs s ARG 76 CO 0.06 -1.08 0.12 -0.51 -2.50 0.00 0.00 175.30 171.39 3fjs s LEU 77 N 3.60 4.21 0.47 -0.88 1.43 0.23 -4.99 118.68 122.75 3fjs s LEU 77 Ca 0.37 0.35 0.05 0.00 -1.03 0.00 0.00 54.13 53.87 3fjs s LEU 77 Cb -0.11 -2.19 -0.03 0.00 0.03 0.00 0.00 46.19 43.89 3fjs s LEU 77 CO 0.22 0.35 0.13 -1.00 0.23 0.00 0.00 176.35 176.29 3fjs s HIS 78 N -1.10 2.17 0.10 0.29 3.76 -1.26 -2.54 115.29 116.70 3fjs s HIS 78 Ca 0.19 -0.77 -0.36 0.00 -0.15 0.00 0.00 55.06 53.97 3fjs s HIS 78 Cb -0.12 -1.80 -0.15 0.00 1.11 0.00 0.00 32.58 31.61 3fjs s HIS 78 CO 0.09 0.13 1.46 0.94 -0.85 0.00 0.00 174.74 176.50 3fjs n GLN 79 N -1.29 1.56 -0.20 1.40 7.27 -1.22 -1.61 117.38 123.29 3fjs n GLN 79 Ca -0.08 0.56 0.00 0.00 0.07 0.00 0.00 57.00 57.55 3fjs n GLN 79 Cb 0.66 -2.26 0.00 0.00 2.41 0.00 0.00 30.24 31.05 3fjs n GLN 79 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 3fjs n GLY 80 N 2.96 1.39 3.74 1.69 0.00 0.68 -5.02 105.19 110.63 3fjs n GLY 80 Ca 0.18 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.79 3fjs n GLY 80 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3fjs s ASP 81 N -3.09 7.45 -0.19 1.61 1.01 -0.63 -4.84 116.67 117.98 3fjs s ASP 81 Ca 0.00 1.93 0.01 0.00 0.71 0.00 0.00 52.55 55.20 3fjs s ASP 81 Cb 0.00 -2.60 0.04 0.00 1.01 0.00 0.00 42.92 41.37 3fjs s ASP 81 CO 0.00 -0.07 -0.13 -0.22 0.21 0.00 0.00 175.17 174.95 3fjs s LEU 82 N -0.38 2.28 -0.18 1.23 2.96 -1.26 -0.34 118.68 122.99 3fjs s LEU 82 Ca 0.46 -0.82 -0.11 0.00 -0.22 0.00 0.00 54.13 53.45 3fjs s LEU 82 Cb -0.26 -1.32 -0.05 0.00 0.50 0.00 0.00 46.19 45.06 3fjs s LEU 82 CO 0.32 -0.10 0.17 -0.22 -1.32 0.00 0.00 176.35 175.20 3fjs s LEU 83 N 1.35 4.25 -0.19 -0.68 2.96 0.60 -4.95 118.68 122.02 3fjs s LEU 83 Ca 0.00 0.34 -0.09 0.00 -0.22 0.00 0.00 54.13 54.16 3fjs s LEU 83 Cb -0.15 -2.16 -0.05 0.00 0.50 0.00 0.00 46.19 44.33 3fjs s LEU 83 CO -0.09 0.20 0.12 -0.47 -1.32 0.00 0.00 176.35 174.78 3fjs s TYR 84 N 0.17 3.39 -0.09 5.38 5.04 -1.26 -0.99 117.35 128.99 3fjs s TYR 84 Ca 0.11 0.30 0.04 0.00 -2.44 0.00 0.00 57.07 55.08 3fjs s TYR 84 Cb -0.12 -2.14 0.00 0.00 0.35 0.00 0.00 41.96 40.06 3fjs s TYR 84 CO 0.00 0.28 -0.22 -0.51 -1.34 0.00 0.00 175.55 173.77 3fjs s LEU 85 N 0.31 2.01 0.99 6.97 1.43 0.65 -5.01 118.68 126.04 3fjs s LEU 85 Ca 0.07 -0.51 -0.13 0.00 -1.03 0.00 0.00 54.13 52.54 3fjs s LEU 85 Cb -0.11 -1.30 0.18 0.00 0.03 0.00 0.00 46.19 44.99 3fjs s LEU 85 CO -0.01 0.15 1.11 -0.83 0.23 0.00 0.00 176.35 176.99 3fjs s GLY 86 N 0.32 1.57 0.09 -3.19 0.00 -1.26 -1.24 107.32 103.61 3fjs s GLY 86 Ca -0.16 -0.47 -0.34 0.00 0.00 0.00 0.00 44.72 43.76 3fjs s GLY 86 CO 0.07 0.15 1.66 0.00 0.00 0.00 0.00 173.10 174.99 3fjs n ALA 87 N -4.10 1.24 -1.46 3.20 0.00 -1.26 -2.06 120.51 116.06 3fjs n ALA 87 Ca 0.06 0.40 -0.16 0.00 0.00 0.00 0.00 53.44 53.74 3fjs n ALA 87 Cb 0.58 -2.39 -0.07 0.00 0.00 0.00 0.00 19.45 17.57 3fjs n ALA 87 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3fjs n GLY 88 N 3.68 1.57 3.66 0.00 0.00 -0.10 -4.93 105.19 109.07 3fjs n GLY 88 Ca 0.18 -0.18 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 3fjs n GLY 88 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3fjs s ALA 89 N -2.51 3.63 0.12 4.61 0.00 -0.88 -4.83 121.76 121.90 3fjs s ALA 89 Ca 0.00 0.78 -0.30 0.00 0.00 0.00 0.00 51.96 52.43 3fjs s ALA 89 Cb 0.00 -3.69 -0.07 0.00 0.00 0.00 0.00 23.12 19.36 3fjs s ALA 89 CO 0.00 -1.28 1.25 0.00 0.00 0.00 0.00 175.76 175.74 3fjs s ALA 90 N 3.69 3.46 0.03 0.00 0.00 -1.26 -4.49 121.76 123.19 3fjs s ALA 90 Ca 0.66 0.96 -0.21 0.00 0.00 0.00 0.00 51.96 53.38 3fjs s ALA 90 Cb -0.29 -3.46 0.05 0.00 0.00 0.00 0.00 23.12 19.41 3fjs s ALA 90 CO 0.24 -0.47 0.48 -3.38 0.00 0.00 0.00 175.76 172.64 3fjs s HIS 91 N 0.67 -0.37 0.31 0.00 -0.00 0.53 -4.44 115.29 111.98 3fjs s HIS 91 Ca 0.58 0.45 0.06 0.00 -0.00 0.00 0.00 55.06 56.15 3fjs s HIS 91 Cb -0.33 0.28 -0.06 0.00 -0.00 0.00 0.00 32.58 32.47 3fjs s HIS 91 CO 0.32 -0.58 -0.04 0.16 -0.00 0.00 0.00 174.74 174.60 3fjs s ASP 92 N -1.81 2.91 -0.01 7.38 1.47 -1.01 -0.90 116.67 124.70 3fjs s ASP 92 Ca -0.07 -1.24 0.03 0.00 1.18 0.00 0.00 52.55 52.46 3fjs s ASP 92 Cb -0.01 -0.20 -0.01 0.00 -0.34 0.00 0.00 42.92 42.37 3fjs s ASP 92 CO 0.00 -0.38 -0.11 -0.69 0.68 0.00 0.00 175.17 174.67 3fjs s VAL 93 N -2.99 0.90 -0.22 2.11 1.01 -0.35 -1.50 120.40 119.36 3fjs s VAL 93 Ca 0.31 -0.47 -0.04 0.00 0.00 0.00 0.00 61.98 61.78 3fjs s VAL 93 Cb 0.05 -0.76 0.08 0.00 0.00 0.00 0.00 36.38 35.75 3fjs s VAL 93 CO 0.14 0.26 0.10 0.21 0.00 0.00 0.00 175.10 175.81 3fjs s ASN 94 N -0.18 2.83 -0.27 3.32 2.47 0.26 -0.68 114.94 122.68 3fjs s ASN 94 Ca 0.03 -0.88 -0.29 0.00 0.42 0.00 0.00 52.86 52.14 3fjs s ASN 94 Cb -0.05 -0.30 -0.00 0.00 -1.45 0.00 0.00 41.25 39.44 3fjs s ASN 94 CO -0.00 -0.38 1.27 0.00 -3.72 0.00 0.00 177.10 174.26 3fjs s ALA 95 N 2.11 3.44 -0.09 1.71 0.00 -0.09 -0.11 121.76 128.73 3fjs s ALA 95 Ca 0.05 0.16 -0.21 0.00 0.00 0.00 0.00 51.96 51.96 3fjs s ALA 95 Cb -0.16 -3.73 -0.28 0.00 0.00 0.00 0.00 23.12 18.94 3fjs s ALA 95 CO -0.19 -1.62 0.72 0.82 0.00 0.00 0.00 175.76 175.49 3fjs h ILE 96 N 5.84 1.36 -0.95 0.00 1.08 -1.61 0.14 117.51 123.37 3fjs h ILE 96 Ca -0.26 -2.44 -0.65 0.00 -0.39 0.00 0.00 64.86 61.12 3fjs h ILE 96 Cb 1.09 3.01 -0.13 0.00 -3.07 0.00 0.00 36.82 37.72 3fjs h ILE 96 CO 1.02 0.67 -0.51 0.42 -0.69 0.00 0.00 178.15 179.06 3fjs s THR 97 N -2.41 1.00 0.26 -0.27 -4.23 -0.86 -4.44 115.64 104.69 3fjs s THR 97 Ca -0.17 -2.00 -0.31 0.00 -1.18 0.00 0.00 61.69 58.03 3fjs s THR 97 Cb 0.02 -2.20 -0.12 0.00 1.34 0.00 0.00 72.50 71.54 3fjs s THR 97 CO 0.77 0.00 1.66 0.20 -0.54 0.00 0.00 174.62 176.71 3fjs s ASN 98 N -3.81 6.35 0.05 3.99 0.01 -1.26 -3.78 114.94 116.49 3fjs s ASN 98 Ca 0.10 2.94 -0.08 0.00 -0.71 0.00 0.00 52.86 55.11 3fjs s ASN 98 Cb 0.02 -2.62 -0.00 0.00 0.41 0.00 0.00 41.25 39.05 3fjs s ASN 98 CO 0.06 -0.95 0.16 0.28 -1.51 0.00 0.00 177.10 175.14 3fjs s THR 99 N 0.46 0.12 -0.02 1.60 -1.32 0.21 -4.09 115.64 112.61 3fjs s THR 99 Ca 0.68 -1.01 0.03 0.00 -1.21 0.00 0.00 61.69 60.18 3fjs s THR 99 Cb -0.49 -0.98 -0.00 0.00 -1.51 0.00 0.00 72.50 69.51 3fjs s THR 99 CO 0.42 -0.56 -0.10 -0.94 -2.21 0.00 0.00 174.62 171.23 3fjs s SER 100 N -2.23 1.29 -0.03 8.08 1.04 -1.18 -0.90 113.70 119.76 3fjs s SER 100 Ca -0.03 -0.20 0.06 0.00 0.48 0.00 0.00 55.95 56.26 3fjs s SER 100 Cb 0.00 -0.22 -0.01 0.00 0.10 0.00 0.00 66.02 65.88 3fjs s SER 100 CO -0.05 0.11 -0.20 -0.76 0.98 0.00 0.00 173.24 173.31 3fjs s LEU 101 N -0.08 2.01 -0.33 2.42 1.43 -1.26 -1.17 118.68 121.70 3fjs s LEU 101 Ca 0.01 -0.39 -0.12 0.00 -1.03 0.00 0.00 54.13 52.61 3fjs s LEU 101 Cb -0.06 -1.09 -0.01 0.00 0.03 0.00 0.00 46.19 45.05 3fjs s LEU 101 CO -0.00 0.22 0.21 -0.22 0.23 0.00 0.00 176.35 176.79 3fjs s LEU 102 N -0.28 4.36 -0.18 1.79 2.96 -0.11 -4.17 118.68 123.04 3fjs s LEU 102 Ca 0.03 -0.46 -0.03 0.00 -0.22 0.00 0.00 54.13 53.45 3fjs s LEU 102 Cb -0.10 -2.08 -0.01 0.00 0.50 0.00 0.00 46.19 44.49 3fjs s LEU 102 CO 0.01 -0.22 -0.07 -0.69 -1.32 0.00 0.00 176.35 174.06 3fjs s VAL 103 N 1.68 3.38 -0.16 1.68 1.01 -1.26 -0.29 120.40 126.44 3fjs s VAL 103 Ca 0.05 -0.52 0.01 0.00 0.00 0.00 0.00 61.98 61.53 3fjs s VAL 103 Cb -0.17 -2.49 0.02 0.00 0.00 0.00 0.00 36.38 33.73 3fjs s VAL 103 CO 0.09 0.46 -0.18 -0.89 0.00 0.00 0.00 175.10 174.58 3fjs s THR 104 N 0.95 1.87 -0.13 3.92 2.01 -0.31 -4.30 115.64 119.67 3fjs s THR 104 Ca -0.01 -0.84 0.02 0.00 0.31 0.00 0.00 61.69 61.18 3fjs s THR 104 Cb -0.15 -1.70 0.00 0.00 0.01 0.00 0.00 72.50 70.67 3fjs s THR 104 CO 0.00 0.51 -0.21 -0.69 -0.69 0.00 0.00 174.62 173.55 3fjs s VAL 105 N 1.20 2.26 -0.14 3.82 1.01 0.34 -0.90 120.40 127.99 3fjs s VAL 105 Ca 0.01 -0.93 -0.26 0.00 0.00 0.00 0.00 61.98 60.81 3fjs s VAL 105 Cb -0.14 -1.90 -0.02 0.00 0.00 0.00 0.00 36.38 34.32 3fjs s VAL 105 CO -0.09 0.54 0.84 -0.69 0.00 0.00 0.00 175.10 175.71 3fjs s VAL 106 N 0.60 4.89 -0.23 2.92 1.01 -0.20 -1.47 120.40 127.93 3fjs s VAL 106 Ca -0.11 1.67 -0.16 0.00 0.00 0.00 0.00 61.98 63.38 3fjs s VAL 106 Cb -0.16 -4.15 -0.04 0.00 0.00 0.00 0.00 36.38 32.03 3fjs s VAL 106 CO 0.03 0.06 0.40 -0.76 0.00 0.00 0.00 175.10 174.83 3fjs s LEU 107 N 1.91 4.11 0.00 3.92 1.43 -0.09 -3.81 118.68 126.15 3fjs s LEU 107 Ca 0.40 0.45 0.00 0.00 -1.03 0.00 0.00 54.13 53.95 3fjs s LEU 107 Cb -0.17 -2.50 0.00 0.00 0.03 0.00 0.00 46.19 43.55 3fjs s LEU 107 CO 0.14 -0.13 0.45 1.33 0.23 0.00 0.00 176.35 178.38