#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2b5x s LYS 2 N 0.00 3.65 0.75 0.03 -0.14 -1.26 -5.07 119.74 117.70 2b5x s LYS 2 Ca 0.00 0.38 -0.11 0.00 -1.36 0.00 0.00 55.97 54.88 2b5x s LYS 2 Cb 0.00 -2.34 0.04 0.00 -1.68 0.00 0.00 37.83 33.85 2b5x s LYS 2 CO 0.00 -0.18 1.08 -0.51 -0.76 0.00 0.00 175.35 174.97 2b5x s LEU 3 N -4.44 2.96 -0.68 3.17 1.43 -1.26 -3.64 118.68 116.22 2b5x s LEU 3 Ca 0.50 1.62 0.00 0.00 -1.03 0.00 0.00 54.13 55.22 2b5x s LEU 3 Cb -0.10 -4.37 0.00 0.00 0.03 0.00 0.00 46.19 41.74 2b5x s LEU 3 CO 0.40 -1.77 0.00 0.54 0.23 0.00 0.00 176.35 175.75 2b5x n ARG 4 N -3.34 -1.71 -2.22 1.70 1.74 1.00 -4.91 116.66 108.92 2b5x n ARG 4 Ca 0.08 0.58 -0.39 0.00 -0.77 0.00 0.00 57.85 57.34 2b5x n ARG 4 Cb 0.54 -4.64 -0.02 0.00 -1.02 0.00 0.00 32.46 27.32 2b5x n ARG 4 CO 0.00 0.00 0.00 -0.65 -1.52 0.00 0.00 177.63 175.46 2b5x s GLN 5 N -2.21 4.13 0.54 5.56 -0.21 -1.24 -4.46 119.66 121.78 2b5x s GLN 5 Ca 0.00 1.98 -0.19 0.00 0.02 0.00 0.00 55.36 57.18 2b5x s GLN 5 Cb 0.00 -2.81 -0.06 0.00 1.00 0.00 0.00 33.01 31.14 2b5x s GLN 5 CO 0.00 -0.29 1.07 -1.25 -2.12 0.00 0.00 175.29 172.69 2b5x s PRO 6 N -2.12 3.51 -0.18 2.91 0.04 -1.26 -0.33 135.00 137.57 2b5x s PRO 6 Ca 0.54 1.37 -0.42 0.00 0.04 0.00 0.00 61.00 62.54 2b5x s PRO 6 Cb -0.34 -2.05 -0.19 0.00 0.04 0.00 0.00 34.50 31.96 2b5x s PRO 6 CO 0.44 -0.67 1.35 -1.33 0.04 0.00 0.00 177.00 176.83 2b5x n MET 7 N -1.41 0.27 0.00 4.56 2.81 -0.52 -4.90 117.12 117.93 2b5x n MET 7 Ca 0.10 0.10 0.00 0.00 -1.81 0.00 0.00 57.70 56.08 2b5x n MET 7 Cb 0.52 -1.64 0.00 0.00 -0.71 0.00 0.00 33.22 31.40 2b5x n MET 7 CO 0.00 0.00 0.00 -0.35 1.51 0.00 0.00 175.97 177.13 2b5x n PRO 8 N 2.87 1.54 -1.68 0.03 -0.04 -1.26 -4.96 135.00 131.50 2b5x n PRO 8 Ca 0.24 0.00 -0.44 0.00 -0.04 0.00 0.00 63.50 63.27 2b5x n PRO 8 Cb 0.05 0.00 -0.03 0.00 -0.04 0.00 0.00 33.50 33.48 2b5x n PRO 8 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 2b5x n GLU 9 N 0.00 2.66 -3.90 0.54 -0.58 -1.26 -4.87 120.64 113.23 2b5x n GLU 9 Ca 0.00 0.97 -0.29 0.00 -0.42 0.00 0.00 57.16 57.42 2b5x n GLU 9 Cb 0.00 -2.86 -0.12 0.00 -0.57 0.00 0.00 31.44 27.89 2b5x n GLU 9 CO 0.00 0.00 0.00 -0.51 -0.48 0.00 0.00 177.13 176.14 2b5x s LEU 10 N 3.24 4.80 0.07 -4.62 1.43 -1.26 -3.75 118.68 118.59 2b5x s LEU 10 Ca 0.85 -3.75 -0.26 0.00 -1.03 0.00 0.00 54.13 49.94 2b5x s LEU 10 Cb -0.52 -1.65 0.07 0.00 0.03 0.00 0.00 46.19 44.12 2b5x s LEU 10 CO 0.41 -0.10 0.62 0.28 0.23 0.00 0.00 176.35 177.79 2b5x s THR 11 N -1.32 0.00 0.04 5.49 -1.32 -1.26 -4.68 115.64 112.59 2b5x s THR 11 Ca 0.24 -0.02 -0.28 0.00 -1.21 0.00 0.00 61.69 60.41 2b5x s THR 11 Cb -0.07 -1.00 0.10 0.00 -1.51 0.00 0.00 72.50 70.02 2b5x s THR 11 CO -0.14 -0.01 1.19 -0.83 -2.21 0.00 0.00 174.62 172.61 2b5x s GLY 12 N -2.11 -0.33 0.00 6.08 0.00 -1.26 -3.33 107.32 106.37 2b5x s GLY 12 Ca -0.04 0.46 0.00 0.00 0.00 0.00 0.00 44.72 45.14 2b5x s GLY 12 CO -0.04 0.47 0.06 1.18 0.00 0.00 0.00 173.10 174.78 2b5x n GLU 13 N -0.52 1.03 0.00 2.90 1.02 -1.24 -4.91 120.64 118.92 2b5x n GLU 13 Ca -0.07 -0.06 -0.22 0.00 -0.02 0.00 0.00 57.16 56.79 2b5x n GLU 13 Cb 0.62 -0.37 -0.14 0.00 -0.02 0.00 0.00 31.44 31.53 2b5x n GLU 13 CO 0.00 0.00 0.00 -0.22 1.18 0.00 0.00 177.13 178.09 2b5x h LYS 14 N 0.00 0.25 -3.18 3.49 3.64 -1.59 -3.49 116.57 115.69 2b5x h LYS 14 Ca 0.00 -0.42 -0.01 0.00 -1.27 0.00 0.00 60.65 58.94 2b5x h LYS 14 Cb 0.16 0.16 -0.10 0.00 -0.41 0.00 0.00 32.23 32.03 2b5x h LYS 14 CO 0.00 1.20 0.10 0.00 -2.27 0.00 0.00 179.45 178.48 2b5x s ALA 15 N -2.52 -1.18 -0.34 5.00 0.00 -0.79 -4.96 121.76 116.99 2b5x s ALA 15 Ca -0.22 0.01 0.16 0.00 0.00 0.00 0.00 51.96 51.92 2b5x s ALA 15 Cb 0.06 0.84 0.43 0.00 0.00 0.00 0.00 23.12 24.45 2b5x s ALA 15 CO 0.76 -0.80 0.93 -2.67 0.00 0.00 0.00 175.76 173.98 2b5x n TRP 16 N -0.35 0.70 -1.68 0.00 -0.00 -1.26 -1.07 117.44 113.78 2b5x n TRP 16 Ca -0.12 -2.95 -0.47 0.00 -0.00 0.00 0.00 57.50 53.96 2b5x n TRP 16 Cb 0.63 -0.25 -0.04 0.00 -0.00 0.00 0.00 31.31 31.64 2b5x n TRP 16 CO 0.00 0.00 0.00 -0.11 -0.00 0.00 0.00 177.69 177.58 2b5x n LEU 17 N -0.01 3.45 0.00 5.67 7.94 -0.33 -1.69 117.00 132.02 2b5x n LEU 17 Ca 0.12 1.00 0.00 0.00 -1.11 0.00 0.00 56.01 56.02 2b5x n LEU 17 Cb 0.79 -1.41 0.00 0.00 0.53 0.00 0.00 43.42 43.33 2b5x n LEU 17 CO 0.24 -0.08 0.00 0.59 -1.11 0.00 0.00 177.39 177.02 2b5x n ASN 18 N 5.73 0.00 0.00 1.96 3.02 -1.26 -1.40 115.26 123.32 2b5x n ASN 18 Ca 0.21 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.76 2b5x n ASN 18 Cb 0.31 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.48 2b5x n ASN 18 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2b5x n GLY 19 N 0.00 0.13 3.17 7.41 0.00 -0.68 -4.86 105.19 110.35 2b5x n GLY 19 Ca 0.00 -1.23 -0.10 0.00 0.00 0.00 0.00 46.02 44.68 2b5x n GLY 19 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 2b5x s GLU 20 N -2.00 0.89 0.14 1.61 4.04 -1.26 -1.74 118.70 120.38 2b5x s GLU 20 Ca 0.00 -1.40 -0.19 0.00 0.04 0.00 0.00 54.97 53.42 2b5x s GLU 20 Cb 0.00 0.01 0.05 0.00 0.02 0.00 0.00 34.13 34.21 2b5x s GLU 20 CO 0.00 -0.15 0.49 0.54 -1.84 0.00 0.00 175.26 174.30 2b5x s VAL 21 N -3.84 0.04 0.35 1.83 0.11 -1.26 -5.05 120.40 112.57 2b5x s VAL 21 Ca 0.18 -0.33 0.09 0.00 -2.93 0.00 0.00 61.98 58.99 2b5x s VAL 21 Cb 0.07 -1.10 -0.05 0.00 -1.53 0.00 0.00 36.38 33.76 2b5x s VAL 21 CO -0.01 -0.17 0.04 0.42 -3.33 0.00 0.00 175.10 172.05 2b5x s THR 22 N -3.78 2.66 -1.93 5.04 -4.23 -1.26 -4.88 115.64 107.26 2b5x s THR 22 Ca 0.02 -1.91 0.00 0.00 -1.18 0.00 0.00 61.69 58.62 2b5x s THR 22 Cb 0.01 -2.84 0.00 0.00 1.34 0.00 0.00 72.50 71.00 2b5x s THR 22 CO -0.12 -0.18 0.16 -2.11 -0.54 0.00 0.00 174.62 171.83 2b5x n ARG 23 N -1.00 0.17 0.00 3.99 1.85 -1.26 -0.47 116.66 119.94 2b5x n ARG 23 Ca -0.04 0.00 0.00 0.00 -1.00 0.00 0.00 57.85 56.81 2b5x n ARG 23 Cb 0.62 -1.01 0.00 0.00 -1.05 0.00 0.00 32.46 31.03 2b5x n ARG 23 CO 0.00 0.00 0.00 -0.85 -0.01 0.00 0.00 177.63 176.77 2b5x n GLU 24 N -0.43 -0.02 0.00 2.89 0.28 -1.26 -4.72 120.64 117.38 2b5x n GLU 24 Ca 0.00 -0.49 0.00 0.00 -0.16 0.00 0.00 57.16 56.51 2b5x n GLU 24 Cb 0.00 -0.80 0.00 0.00 1.43 0.00 0.00 31.44 32.07 2b5x n GLU 24 CO 0.00 0.00 0.00 0.94 -0.16 0.00 0.00 177.13 177.91 2b5x n GLN 25 N -0.07 2.35 0.21 3.44 7.27 -0.49 -4.68 117.38 125.41 2b5x n GLN 25 Ca 0.00 0.00 0.08 0.00 0.07 0.00 0.00 57.00 57.15 2b5x n GLN 25 Cb 0.16 -0.79 0.45 0.00 2.41 0.00 0.00 30.24 32.47 2b5x n GLN 25 CO 0.00 0.00 0.00 1.25 0.07 0.00 0.00 177.06 178.38 2b5x h LEU 26 N 0.00 0.00 -8.98 1.69 5.85 -1.09 -3.47 115.31 109.31 2b5x h LEU 26 Ca 0.00 0.00 -0.40 0.00 0.84 0.00 0.00 57.88 58.32 2b5x h LEU 26 Cb 0.45 0.00 -0.14 0.00 0.37 0.00 0.00 40.66 41.33 2b5x h LEU 26 CO 0.00 0.27 -0.64 0.27 -0.34 0.00 0.00 178.44 178.00 2b5x s ILE 27 N -3.74 1.01 0.00 4.05 -4.36 -1.26 -4.77 121.20 112.12 2b5x s ILE 27 Ca -0.00 -2.02 0.00 0.00 -0.26 0.00 0.00 60.65 58.37 2b5x s ILE 27 Cb 0.11 -2.51 0.00 0.00 1.25 0.00 0.00 42.46 41.31 2b5x s ILE 27 CO 0.65 -0.18 0.00 0.61 0.24 0.00 0.00 174.94 176.26 2b5x n GLY 28 N -0.50 0.83 1.84 6.27 0.00 -0.01 -4.77 105.19 108.85 2b5x n GLY 28 Ca -0.03 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.99 2b5x n GLY 28 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 2b5x n GLU 29 N -0.88 0.00 -3.79 1.61 2.13 -1.26 -5.02 120.64 113.44 2b5x n GLU 29 Ca 0.00 0.00 -0.11 0.00 0.66 0.00 0.00 57.16 57.71 2b5x n GLU 29 Cb 0.00 -0.08 -0.08 0.00 0.27 0.00 0.00 31.44 31.55 2b5x n GLU 29 CO 0.00 0.00 0.00 -1.59 -0.41 0.00 0.00 177.13 175.13 2b5x s LYS 30 N -2.00 0.75 1.11 5.31 -2.85 -1.26 -4.95 119.74 115.85 2b5x s LYS 30 Ca 0.00 -0.51 -0.18 0.00 -1.00 0.00 0.00 55.97 54.27 2b5x s LYS 30 Cb 0.00 0.32 0.10 0.00 -2.06 0.00 0.00 37.83 36.19 2b5x s LYS 30 CO 0.00 -0.23 0.04 -2.30 0.10 0.00 0.00 175.35 172.96 2b5x n PRO 31 N 0.70 -1.53 -4.02 1.78 -0.02 -1.26 -4.14 135.00 126.51 2b5x n PRO 31 Ca -0.19 -0.43 -0.09 0.00 -2.02 0.00 0.00 63.50 60.77 2b5x n PRO 31 Cb 0.59 -1.72 -0.11 0.00 -0.02 0.00 0.00 33.50 32.25 2b5x n PRO 31 CO 0.00 0.00 0.00 0.99 1.98 0.00 0.00 175.50 178.47 2b5x s THR 32 N -2.25 0.19 -0.11 3.45 2.01 0.08 -0.81 115.64 118.20 2b5x s THR 32 Ca 0.56 -1.21 -0.00 0.00 0.31 0.00 0.00 61.69 61.35 2b5x s THR 32 Cb -0.13 -0.68 0.02 0.00 0.01 0.00 0.00 72.50 71.73 2b5x s THR 32 CO 0.66 -0.64 -0.08 -0.22 -0.69 0.00 0.00 174.62 173.65 2b5x s LEU 33 N -1.93 1.18 -0.12 4.42 2.96 -0.04 -0.68 118.68 124.47 2b5x s LEU 33 Ca -0.08 -0.30 -0.03 0.00 -0.22 0.00 0.00 54.13 53.50 2b5x s LEU 33 Cb -0.04 -0.84 -0.03 0.00 0.50 0.00 0.00 46.19 45.78 2b5x s LEU 33 CO -0.04 -0.12 -0.01 -0.63 -1.32 0.00 0.00 176.35 174.24 2b5x s ILE 34 N 1.70 4.17 0.17 6.68 1.01 -0.50 -1.28 121.20 133.14 2b5x s ILE 34 Ca 0.05 -0.28 0.07 0.00 0.00 0.00 0.00 60.65 60.49 2b5x s ILE 34 Cb -0.13 -2.79 -0.04 0.00 0.01 0.00 0.00 42.46 39.51 2b5x s ILE 34 CO -0.08 0.54 -0.15 -1.38 0.00 0.00 0.00 174.94 173.88 2b5x s HIS 35 N -0.25 1.60 -0.13 3.97 -3.43 -0.97 -1.03 115.29 115.05 2b5x s HIS 35 Ca 0.05 -0.56 0.00 0.00 -0.80 0.00 0.00 55.06 53.75 2b5x s HIS 35 Cb -0.12 -0.79 0.02 0.00 -1.43 0.00 0.00 32.58 30.26 2b5x s HIS 35 CO 0.02 0.26 -0.12 -0.06 -2.00 0.00 0.00 174.74 172.84 2b5x s PHE 36 N -2.55 1.92 0.22 0.38 0.40 0.39 -0.84 117.98 117.90 2b5x s PHE 36 Ca 0.16 -1.04 -0.13 0.00 -0.60 0.00 0.00 56.93 55.33 2b5x s PHE 36 Cb -0.03 -1.46 0.00 0.00 0.51 0.00 0.00 43.02 42.04 2b5x s PHE 36 CO 0.05 -0.60 0.44 1.67 0.70 0.00 0.00 175.22 177.48 2b5x s TRP 37 N 1.53 0.29 -0.12 0.36 1.48 -1.05 -0.87 118.94 120.55 2b5x s TRP 37 Ca 0.04 -0.64 -0.05 0.00 -1.06 0.00 0.00 56.10 54.39 2b5x s TRP 37 Cb -0.13 0.17 0.06 0.00 -1.16 0.00 0.00 33.47 32.41 2b5x s TRP 37 CO -0.09 -0.92 0.27 -1.12 -4.06 0.00 0.00 176.95 171.02 2b5x s SER 38 N -2.98 0.06 0.64 -2.66 0.01 -1.26 -0.60 113.70 106.90 2b5x s SER 38 Ca 0.19 0.60 0.37 0.00 1.31 0.00 0.00 55.95 58.42 2b5x s SER 38 Cb 0.00 0.61 2.10 0.00 0.21 0.00 0.00 66.02 68.94 2b5x s SER 38 CO 0.05 -0.21 2.27 0.16 0.41 0.00 0.00 173.24 175.92 2b5x h ILE 39 N 6.09 0.21 0.00 1.44 3.07 -1.90 -2.80 117.51 123.62 2b5x h ILE 39 Ca -0.25 0.00 0.00 0.00 1.55 0.00 0.00 64.86 66.16 2b5x h ILE 39 Cb 1.13 0.95 0.00 0.00 -0.27 0.00 0.00 36.82 38.63 2b5x h ILE 39 CO 0.23 0.00 0.00 -1.20 -1.05 0.00 0.00 178.15 176.13 2b5x n SER 40 N -3.38 0.58 -4.46 2.16 7.64 -1.26 -4.76 113.62 110.14 2b5x n SER 40 Ca -0.02 0.69 -0.33 0.00 1.01 0.00 0.00 58.87 60.21 2b5x n SER 40 Cb 0.13 -0.79 -0.13 0.00 -1.01 0.00 0.00 64.21 62.41 2b5x n SER 40 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2b5x h HIS 42 N 6.03 0.71 -0.43 0.00 2.76 -1.89 -1.76 115.15 120.56 2b5x h HIS 42 Ca -0.37 -0.12 -0.03 0.00 -2.20 0.00 0.00 60.37 57.66 2b5x h HIS 42 Cb 1.18 -0.19 -0.02 0.00 1.55 0.00 0.00 27.41 29.94 2b5x h HIS 42 CO 0.52 0.74 0.16 -0.07 -1.30 0.00 0.00 177.93 177.97 2b5x h LEU 43 N 0.60 0.57 -0.06 0.26 -0.00 -1.95 -0.61 115.31 114.12 2b5x h LEU 43 Ca 0.11 -0.07 0.00 0.00 -0.00 0.00 0.00 57.88 57.92 2b5x h LEU 43 Cb 0.53 -0.15 -0.00 0.00 -0.00 0.00 0.00 40.66 41.05 2b5x h LEU 43 CO 0.03 0.53 0.04 0.00 -0.00 0.00 0.00 178.44 179.04 2b5x n LYS 45 N -5.05 0.16 -0.05 0.00 4.76 -0.31 -0.20 118.16 117.47 2b5x n LYS 45 Ca -0.06 0.59 -0.21 0.00 -2.87 0.00 0.00 58.31 55.76 2b5x n LYS 45 Cb 0.03 -1.95 -0.13 0.00 -1.84 0.00 0.00 35.03 31.15 2b5x n LYS 45 CO 0.00 0.00 0.00 0.39 -1.37 0.00 0.00 177.40 176.42 2b5x n GLU 46 N -2.27 0.70 -0.31 1.97 -0.58 -0.77 -4.22 120.64 115.17 2b5x n GLU 46 Ca -0.01 0.27 -0.04 0.00 -0.42 0.00 0.00 57.16 56.96 2b5x n GLU 46 Cb 0.08 -1.65 0.08 0.00 -0.57 0.00 0.00 31.44 29.37 2b5x n GLU 46 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2b5x h ALA 47 N -0.07 1.07 -0.04 0.62 0.00 -0.36 -2.94 119.26 117.53 2b5x h ALA 47 Ca -0.47 -0.12 0.03 0.00 0.00 0.00 0.00 54.91 54.35 2b5x h ALA 47 Cb 1.89 -0.33 -0.04 0.00 0.00 0.00 0.00 17.79 19.31 2b5x h ALA 47 CO -0.02 0.57 -0.16 0.52 0.00 0.00 0.00 179.25 180.16 2b5x h MET 48 N 1.16 -0.23 -0.53 0.00 2.86 -0.76 0.44 114.93 117.86 2b5x h MET 48 Ca 0.29 0.02 -0.02 0.00 -2.06 0.00 0.00 59.70 57.93 2b5x h MET 48 Cb 0.02 0.05 -0.03 0.00 0.06 0.00 0.00 31.60 31.70 2b5x h MET 48 CO -0.05 -0.15 0.24 -1.00 1.06 0.00 0.00 176.91 177.01 2b5x h PRO 49 N -0.24 0.75 -0.32 -0.22 0.13 -1.73 -2.22 132.00 128.16 2b5x h PRO 49 Ca 0.07 -0.10 -0.08 0.00 -0.87 0.00 0.00 66.00 65.02 2b5x h PRO 49 Cb 0.33 -0.14 -0.02 0.00 0.13 0.00 0.00 31.00 31.30 2b5x h PRO 49 CO -0.18 0.60 -0.13 0.37 -0.23 0.00 0.00 178.00 178.43 2b5x h GLN 50 N 0.75 0.55 -0.71 0.86 -0.00 -0.88 -1.44 115.11 114.23 2b5x h GLN 50 Ca 0.18 -0.17 0.08 0.00 -0.00 0.00 0.00 58.65 58.75 2b5x h GLN 50 Cb 0.11 -0.05 -0.05 0.00 0.00 0.00 0.00 27.48 27.49 2b5x h GLN 50 CO -0.02 0.67 0.47 0.28 0.00 0.00 0.00 178.83 180.23 2b5x h VAL 51 N 0.51 0.97 0.04 2.39 2.07 0.37 0.26 116.25 122.86 2b5x h VAL 51 Ca 0.09 -0.23 -0.00 0.00 0.82 0.00 0.00 66.70 67.38 2b5x h VAL 51 Cb 0.52 0.24 0.00 0.00 -1.52 0.00 0.00 31.29 30.54 2b5x h VAL 51 CO 0.03 0.12 -0.02 -1.13 0.02 0.00 0.00 177.57 176.59 2b5x h ASN 52 N 0.67 -0.05 1.00 0.57 -1.24 -0.78 0.89 115.58 116.65 2b5x h ASN 52 Ca 0.32 0.00 -0.08 0.00 0.71 0.00 0.00 56.30 57.25 2b5x h ASN 52 Cb 0.37 0.01 -0.01 0.00 0.73 0.00 0.00 38.32 39.42 2b5x h ASN 52 CO -0.11 -0.03 -0.37 1.05 -1.29 0.00 0.00 177.43 176.68 2b5x h GLU 53 N -0.06 0.00 -0.32 6.67 4.11 -1.05 -2.49 114.58 121.44 2b5x h GLU 53 Ca -0.01 0.00 -0.04 0.00 0.07 0.00 0.00 59.36 59.39 2b5x h GLU 53 Cb 0.04 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.28 2b5x h GLU 53 CO 0.01 0.37 0.05 0.35 0.07 0.00 0.00 179.01 179.85 2b5x h PHE 54 N 0.00 0.56 -0.54 2.06 3.04 -0.20 0.79 116.94 122.65 2b5x h PHE 54 Ca -0.00 -0.08 0.06 0.00 3.98 0.00 0.00 57.97 61.93 2b5x h PHE 54 Cb 0.97 -0.15 -0.05 0.00 2.56 0.00 0.00 35.95 39.27 2b5x h PHE 54 CO 0.00 0.60 0.25 -0.09 -2.02 0.00 0.00 178.31 177.05 2b5x h ARG 55 N 0.35 0.46 -0.25 1.11 2.43 -0.68 -1.60 114.38 116.20 2b5x h ARG 55 Ca 0.10 -0.03 -0.11 0.00 -0.81 0.00 0.00 59.98 59.13 2b5x h ARG 55 Cb 0.35 -0.10 -0.00 0.00 -0.42 0.00 0.00 29.97 29.79 2b5x h ARG 55 CO 0.01 0.30 -0.27 0.22 -1.51 0.00 0.00 179.97 178.72 2b5x h ASP 56 N 0.47 0.67 -0.04 -3.80 3.58 -0.97 0.61 116.42 116.95 2b5x h ASP 56 Ca 0.25 -0.48 -0.02 0.00 0.42 0.00 0.00 57.03 57.19 2b5x h ASP 56 Cb 0.21 -0.19 -0.01 0.00 1.72 0.00 0.00 39.33 41.06 2b5x h ASP 56 CO -0.20 1.02 -0.02 0.11 -2.88 0.00 0.00 179.24 177.26 2b5x h LYS 57 N 0.34 0.17 0.00 0.28 1.57 -0.61 -3.30 116.57 115.03 2b5x h LYS 57 Ca 0.04 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.79 2b5x h LYS 57 Cb 0.84 -0.03 0.00 0.00 0.08 0.00 0.00 32.23 33.12 2b5x h LYS 57 CO 0.07 0.22 0.00 0.66 -0.57 0.00 0.00 179.45 179.83 2b5x n TYR 58 N -4.40 0.00 0.27 -1.35 4.01 -0.62 -4.77 117.16 110.30 2b5x n TYR 58 Ca -0.01 -0.13 0.15 0.00 -0.16 0.00 0.00 57.90 57.74 2b5x n TYR 58 Cb 0.17 -0.01 0.79 0.00 -0.31 0.00 0.00 39.34 39.97 2b5x n TYR 58 CO 0.00 0.00 0.00 -0.56 -0.46 0.00 0.00 176.86 175.84 2b5x h GLN 59 N 0.00 0.00 -0.40 -0.72 -0.00 -0.95 0.16 115.11 113.20 2b5x h GLN 59 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.65 2b5x h GLN 59 Cb 0.33 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 27.81 2b5x h GLN 59 CO 0.00 0.00 0.00 -3.47 -0.00 0.00 0.00 178.83 175.36 2b5x n ASP 60 N -2.66 3.07 0.00 0.06 2.03 -1.26 -4.65 116.55 113.14 2b5x n ASP 60 Ca -0.02 -1.96 0.00 0.00 0.52 0.00 0.00 54.79 53.33 2b5x n ASP 60 Cb 0.23 -0.26 0.00 0.00 -0.72 0.00 0.00 41.12 40.37 2b5x n ASP 60 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2b5x n GLN 61 N 0.79 1.44 -3.44 -0.67 6.02 0.32 -5.12 117.38 116.71 2b5x n GLN 61 Ca 0.14 0.00 -0.12 0.00 -0.01 0.00 0.00 57.00 57.01 2b5x n GLN 61 Cb 0.46 -0.59 -0.02 0.00 1.02 0.00 0.00 30.24 31.10 2b5x n GLN 61 CO 0.00 0.00 0.00 -1.17 -1.01 0.00 0.00 177.06 174.88 2b5x s LEU 62 N -1.38 -0.51 -0.33 1.08 0.20 0.14 -4.16 118.68 113.71 2b5x s LEU 62 Ca 0.00 0.01 -0.14 0.00 0.69 0.00 0.00 54.13 54.69 2b5x s LEU 62 Cb 0.00 2.55 -0.02 0.00 -0.43 0.00 0.00 46.19 48.29 2b5x s LEU 62 CO 0.00 -0.95 0.31 0.20 -0.29 0.00 0.00 176.35 175.62 2b5x s ASN 63 N -2.69 6.13 -0.14 3.68 0.01 0.01 -4.23 114.94 117.71 2b5x s ASN 63 Ca 0.01 -0.25 -0.20 0.00 -0.71 0.00 0.00 52.86 51.70 2b5x s ASN 63 Cb -0.01 -2.17 -0.03 0.00 0.41 0.00 0.00 41.25 39.45 2b5x s ASN 63 CO -0.12 -0.27 0.59 -0.69 -1.51 0.00 0.00 177.10 175.09 2b5x s VAL 64 N 1.90 5.09 0.17 1.60 1.01 -1.26 -0.86 120.40 128.04 2b5x s VAL 64 Ca 0.10 1.15 -0.03 0.00 0.00 0.00 0.00 61.98 63.20 2b5x s VAL 64 Cb -0.17 -3.92 -0.03 0.00 0.00 0.00 0.00 36.38 32.26 2b5x s VAL 64 CO 0.11 0.21 0.16 0.68 0.00 0.00 0.00 175.10 176.26 2b5x s VAL 65 N 1.25 0.05 0.26 2.92 -7.23 -0.41 -4.23 120.40 113.00 2b5x s VAL 65 Ca 0.29 -1.83 -0.13 0.00 -1.81 0.00 0.00 61.98 58.51 2b5x s VAL 65 Cb -0.16 -2.21 -0.00 0.00 0.56 0.00 0.00 36.38 34.57 2b5x s VAL 65 CO 0.12 -0.21 0.50 0.00 -0.31 0.00 0.00 175.10 175.20 2b5x s ALA 66 N -4.08 -0.27 -0.13 1.32 0.00 -0.97 -2.28 121.76 115.35 2b5x s ALA 66 Ca 0.29 -0.87 -0.02 0.00 0.00 0.00 0.00 51.96 51.36 2b5x s ALA 66 Cb 0.06 1.05 0.04 0.00 0.00 0.00 0.00 23.12 24.28 2b5x s ALA 66 CO 0.06 -0.87 0.03 0.08 0.00 0.00 0.00 175.76 175.07 2b5x s VAL 67 N -3.94 0.33 -0.33 0.00 1.01 -0.02 -1.82 120.40 115.62 2b5x s VAL 67 Ca 0.22 -0.15 -0.22 0.00 0.00 0.00 0.00 61.98 61.83 2b5x s VAL 67 Cb -0.01 -0.70 0.00 0.00 0.00 0.00 0.00 36.38 35.67 2b5x s VAL 67 CO 0.09 -0.00 0.72 -2.28 0.00 0.00 0.00 175.10 173.64 2b5x s HIS 68 N 1.97 3.16 -0.21 5.22 2.46 -0.47 -2.53 115.29 124.90 2b5x s HIS 68 Ca 0.02 0.59 -0.25 0.00 0.47 0.00 0.00 55.06 55.89 2b5x s HIS 68 Cb -0.15 -3.22 -0.01 0.00 -0.13 0.00 0.00 32.58 29.08 2b5x s HIS 68 CO -0.07 -0.62 0.84 1.41 -2.47 0.00 0.00 174.74 173.84 2b5x s MET 69 N 2.88 4.23 -0.92 2.88 1.75 0.23 -4.46 119.30 125.90 2b5x s MET 69 Ca 0.29 0.99 -0.07 0.00 -1.25 0.00 0.00 55.69 55.65 2b5x s MET 69 Cb -0.14 -3.61 -0.12 0.00 2.84 0.00 0.00 34.83 33.80 2b5x s MET 69 CO 0.14 -0.44 2.74 -0.35 -0.65 0.00 0.00 175.02 176.47 2b5x n PRO 70 N 5.69 2.60 0.25 4.11 -0.04 -1.26 -4.52 135.00 141.83 2b5x n PRO 70 Ca 0.05 -1.56 0.14 0.00 -0.04 0.00 0.00 63.50 62.10 2b5x n PRO 70 Cb 0.48 -2.42 0.49 0.00 -0.04 0.00 0.00 33.50 32.00 2b5x n PRO 70 CO 0.00 0.00 0.00 -0.09 -0.04 0.00 0.00 175.50 175.37 2b5x h ARG 71 N 4.94 0.00 -4.54 0.54 2.43 -1.93 -3.43 114.38 112.39 2b5x h ARG 71 Ca 0.54 0.00 -0.22 0.00 -0.81 0.00 0.00 59.98 59.49 2b5x h ARG 71 Cb 0.54 0.00 -0.15 0.00 -0.42 0.00 0.00 29.97 29.94 2b5x h ARG 71 CO 1.23 0.05 -0.63 -1.12 -1.51 0.00 0.00 179.97 177.98 2b5x s SER 72 N -5.93 0.28 0.45 -3.80 0.01 -1.26 -5.03 113.70 98.42 2b5x s SER 72 Ca 0.03 -1.31 0.14 0.00 1.31 0.00 0.00 55.95 56.12 2b5x s SER 72 Cb 0.08 0.33 1.00 0.00 0.21 0.00 0.00 66.02 67.63 2b5x s SER 72 CO 0.60 -0.78 1.99 -0.08 0.41 0.00 0.00 173.24 175.37 2b5x h GLU 73 N 2.72 0.00 0.00 12.44 4.81 -1.99 -0.69 114.58 131.87 2b5x h GLU 73 Ca -0.36 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.87 2b5x h GLU 73 Cb 1.23 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.61 2b5x h GLU 73 CO 0.56 0.19 0.00 0.22 -0.73 0.00 0.00 179.01 179.25 2b5x h ASP 74 N 0.00 0.00 0.32 1.04 3.58 -1.98 -3.03 116.42 116.36 2b5x h ASP 74 Ca -0.00 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.45 2b5x h ASP 74 Cb 0.33 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.38 2b5x h ASP 74 CO 0.02 0.00 -0.72 0.47 -2.88 0.00 0.00 179.24 176.14 2b5x n ASP 75 N -2.53 0.68 0.00 2.28 8.00 -0.38 -4.52 116.55 120.09 2b5x n ASP 75 Ca 0.04 -0.50 0.10 0.00 0.71 0.00 0.00 54.79 55.14 2b5x n ASP 75 Cb 0.43 0.55 0.59 0.00 -0.02 0.00 0.00 41.12 42.67 2b5x n ASP 75 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 2b5x n LEU 76 N -1.54 0.00 -3.88 0.64 4.77 -0.55 -4.31 117.00 112.12 2b5x n LEU 76 Ca 0.05 0.00 -0.21 0.00 -0.03 0.00 0.00 56.01 55.81 2b5x n LEU 76 Cb 0.34 0.00 -0.17 0.00 -2.33 0.00 0.00 43.42 41.27 2b5x n LEU 76 CO 0.38 0.00 -0.41 -0.62 -1.33 0.00 0.00 177.39 175.41 2b5x s ASP 77 N -1.94 1.20 0.39 -1.43 -1.08 -1.26 -5.05 116.67 107.50 2b5x s ASP 77 Ca 0.30 -0.15 0.21 0.00 -0.52 0.00 0.00 52.55 52.39 2b5x s ASP 77 Cb 0.14 -0.50 0.66 0.00 -1.46 0.00 0.00 42.92 41.76 2b5x s ASP 77 CO 0.23 -0.08 1.72 1.55 0.52 0.00 0.00 175.17 179.11 2b5x h PRO 78 N 7.43 0.00 -0.31 4.34 0.13 -1.93 -2.74 132.00 138.91 2b5x h PRO 78 Ca -0.34 0.00 -0.15 0.00 -0.87 0.00 0.00 66.00 64.64 2b5x h PRO 78 Cb 1.15 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.27 2b5x h PRO 78 CO 0.43 0.31 -0.41 0.78 -0.23 0.00 0.00 178.00 178.87 2b5x h GLY 79 N 2.45 0.85 0.99 1.56 0.00 -1.98 -0.15 103.07 106.79 2b5x h GLY 79 Ca -0.00 -0.87 0.00 0.00 0.00 0.00 0.00 47.33 46.45 2b5x h GLY 79 CO 0.04 0.79 0.06 0.50 0.00 0.00 0.00 176.54 177.93 2b5x h LYS 80 N 0.63 0.12 0.42 4.80 1.57 -1.89 -0.89 116.57 121.33 2b5x h LYS 80 Ca 0.05 -0.01 -0.02 0.00 -1.87 0.00 0.00 60.65 58.80 2b5x h LYS 80 Cb 0.97 -0.03 -0.00 0.00 0.08 0.00 0.00 32.23 33.26 2b5x h LYS 80 CO 0.09 0.08 -0.23 0.82 -0.57 0.00 0.00 179.45 179.64 2b5x h ILE 81 N 0.12 0.53 -0.31 1.86 2.04 -1.28 -0.74 117.51 119.72 2b5x h ILE 81 Ca 0.04 0.00 0.07 0.00 1.00 0.00 0.00 64.86 65.97 2b5x h ILE 81 Cb -0.01 0.53 -0.08 0.00 -0.74 0.00 0.00 36.82 36.52 2b5x h ILE 81 CO -0.01 0.00 -0.27 0.50 0.00 0.00 0.00 178.15 178.36 2b5x h LYS 82 N -0.61 -0.24 -0.72 2.37 3.64 -0.97 0.51 116.57 120.55 2b5x h LYS 82 Ca -0.05 0.02 -0.05 0.00 -1.27 0.00 0.00 60.65 59.30 2b5x h LYS 82 Cb 0.48 0.05 -0.03 0.00 -0.41 0.00 0.00 32.23 32.33 2b5x h LYS 82 CO 0.07 -0.16 0.26 1.49 -2.27 0.00 0.00 179.45 178.84 2b5x h GLU 83 N -0.25 1.09 0.21 1.90 4.57 -0.93 -1.36 114.58 119.81 2b5x h GLU 83 Ca 0.15 -0.22 -0.01 0.00 -1.18 0.00 0.00 59.36 58.11 2b5x h GLU 83 Cb 0.50 -0.17 0.00 0.00 -0.16 0.00 0.00 28.75 28.92 2b5x h GLU 83 CO -0.45 0.92 -0.10 1.15 -1.18 0.00 0.00 179.01 179.35 2b5x h THR 84 N 1.04 0.82 -0.92 0.32 2.02 -0.82 -3.20 112.91 112.17 2b5x h THR 84 Ca 0.24 -0.91 0.09 0.00 0.77 0.00 0.00 66.41 66.60 2b5x h THR 84 Cb 0.26 1.29 -0.07 0.00 -1.74 0.00 0.00 68.15 67.89 2b5x h THR 84 CO -0.01 0.18 0.59 0.00 0.37 0.00 0.00 175.52 176.65 2b5x h ALA 85 N -0.21 1.58 -0.76 6.16 0.00 -0.86 -0.83 119.26 124.33 2b5x h ALA 85 Ca -0.03 -0.01 0.08 0.00 0.00 0.00 0.00 54.91 54.95 2b5x h ALA 85 Cb 0.51 -0.23 -0.05 0.00 0.00 0.00 0.00 17.79 18.02 2b5x h ALA 85 CO 0.05 0.25 0.50 0.00 0.00 0.00 0.00 179.25 180.05 2b5x h ALA 86 N 1.53 1.73 0.19 0.00 0.00 -1.28 0.29 119.26 121.73 2b5x h ALA 86 Ca 0.42 -0.01 -0.31 0.00 0.00 0.00 0.00 54.91 55.01 2b5x h ALA 86 Cb 0.35 -0.18 0.02 0.00 0.00 0.00 0.00 17.79 17.98 2b5x h ALA 86 CO -0.18 0.13 -1.38 0.93 0.00 0.00 0.00 179.25 178.75 2b5x h GLU 87 N 0.75 0.40 0.00 0.00 4.39 -1.16 -2.81 114.58 116.14 2b5x h GLU 87 Ca 0.34 -0.68 0.00 0.00 0.34 0.00 0.00 59.36 59.36 2b5x h GLU 87 Cb 0.36 0.25 0.00 0.00 -0.10 0.00 0.00 28.75 29.26 2b5x h GLU 87 CO -0.12 1.32 0.00 0.72 -1.16 0.00 0.00 179.01 179.77 2b5x n HIS 88 N -3.61 0.00 -1.43 4.33 8.25 -0.90 -4.90 115.22 116.95 2b5x n HIS 88 Ca -0.13 0.00 -0.15 0.00 -0.26 0.00 0.00 57.72 57.18 2b5x n HIS 88 Cb 1.06 0.00 -0.06 0.00 1.12 0.00 0.00 29.99 32.11 2b5x n HIS 88 CO 0.00 0.00 0.00 -3.47 0.64 0.00 0.00 176.34 173.51 2b5x n ASP 89 N -0.80 -4.99 -4.57 0.41 2.03 -0.38 -4.34 116.55 103.91 2b5x n ASP 89 Ca 0.12 0.37 -0.40 0.00 0.52 0.00 0.00 54.79 55.40 2b5x n ASP 89 Cb 0.05 -3.81 -0.03 0.00 -0.72 0.00 0.00 41.12 36.62 2b5x n ASP 89 CO 0.00 0.00 0.00 -0.63 -1.92 0.00 0.00 177.20 174.65 2b5x s ILE 90 N -2.49 3.33 -0.03 5.18 1.01 -0.05 -4.77 121.20 123.38 2b5x s ILE 90 Ca 0.00 0.25 0.00 0.00 0.00 0.00 0.00 60.65 60.91 2b5x s ILE 90 Cb 0.00 -3.69 -0.00 0.00 0.01 0.00 0.00 42.46 38.78 2b5x s ILE 90 CO 0.00 -0.60 0.21 0.35 0.00 0.00 0.00 174.94 174.89 2b5x n THR 91 N 7.40 0.00 -0.78 2.92 -2.24 -1.26 -4.58 114.28 115.74 2b5x n THR 91 Ca 0.24 -0.49 -0.32 0.00 -2.27 0.00 0.00 64.05 61.20 2b5x n THR 91 Cb 0.51 1.00 0.14 0.00 -2.10 0.00 0.00 70.33 69.88 2b5x n THR 91 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2b5x n GLN 92 N -0.61 -0.32 -1.73 -0.78 10.64 -1.26 -4.89 117.38 118.42 2b5x n GLN 92 Ca 0.00 -0.04 -0.42 0.00 -1.83 0.00 0.00 57.00 54.71 2b5x n GLN 92 Cb 0.01 -2.16 -0.02 0.00 -0.86 0.00 0.00 30.24 27.22 2b5x n GLN 92 CO 0.00 0.00 0.00 -2.30 -1.83 0.00 0.00 177.06 172.93 2b5x n PRO 93 N -3.04 2.58 -3.92 2.61 -0.02 -1.26 -4.65 135.00 127.30 2b5x n PRO 93 Ca 0.10 0.92 -0.12 0.00 -2.02 0.00 0.00 63.50 62.38 2b5x n PRO 93 Cb 0.52 -2.67 -0.14 0.00 -0.02 0.00 0.00 33.50 31.20 2b5x n PRO 93 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 2b5x s ILE 94 N -0.12 0.07 0.16 4.25 1.01 -0.49 -2.28 121.20 123.79 2b5x s ILE 94 Ca 0.64 -0.19 0.05 0.00 0.00 0.00 0.00 60.65 61.15 2b5x s ILE 94 Cb -0.52 -0.10 -0.04 0.00 0.01 0.00 0.00 42.46 41.81 2b5x s ILE 94 CO 0.50 -0.07 -0.11 0.72 0.00 0.00 0.00 174.94 175.98 2b5x s PHE 95 N -0.26 1.35 0.01 3.97 -0.12 -0.76 -1.19 117.98 120.97 2b5x s PHE 95 Ca -0.02 -0.72 0.01 0.00 -0.05 0.00 0.00 56.93 56.15 2b5x s PHE 95 Cb -0.02 -0.67 -0.01 0.00 -0.63 0.00 0.00 43.02 41.69 2b5x s PHE 95 CO -0.00 0.13 -0.04 0.08 -0.05 0.00 0.00 175.22 175.34 2b5x s VAL 96 N -3.23 0.28 0.03 -2.49 1.01 -0.23 -1.37 120.40 114.41 2b5x s VAL 96 Ca 0.17 -0.47 -0.11 0.00 0.00 0.00 0.00 61.98 61.58 2b5x s VAL 96 Cb 0.02 -0.30 0.01 0.00 0.00 0.00 0.00 36.38 36.11 2b5x s VAL 96 CO 0.02 -0.12 0.24 -0.62 0.00 0.00 0.00 175.10 174.61 2b5x s ASP 97 N -0.63 -0.04 0.23 3.32 2.15 -1.26 -1.41 116.67 119.02 2b5x s ASP 97 Ca -0.04 -0.25 0.21 0.00 0.43 0.00 0.00 52.55 52.91 2b5x s ASP 97 Cb -0.05 0.31 0.94 0.00 -0.30 0.00 0.00 42.92 43.82 2b5x s ASP 97 CO -0.00 -0.55 1.65 -1.20 -0.17 0.00 0.00 175.17 174.90 2b5x n SER 98 N 0.76 0.55 0.00 -0.34 7.64 -1.26 -4.22 113.62 116.76 2b5x n SER 98 Ca -0.19 0.66 0.00 0.00 1.01 0.00 0.00 58.87 60.34 2b5x n SER 98 Cb 0.59 -0.77 0.00 0.00 -1.01 0.00 0.00 64.21 63.02 2b5x n SER 98 CO 0.00 0.00 0.00 -0.67 -3.01 0.00 0.00 175.04 171.36 2b5x n ASP 99 N -2.13 0.35 -1.67 6.43 2.03 -1.26 -5.06 116.55 115.24 2b5x n ASP 99 Ca 0.02 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.33 2b5x n ASP 99 Cb 0.18 0.01 0.00 0.00 -0.72 0.00 0.00 41.12 40.59 2b5x n ASP 99 CO 0.00 0.00 0.00 1.41 -1.92 0.00 0.00 177.20 176.69 2b5x n HIS 100 N -1.31 -3.97 0.29 -0.67 8.25 -1.26 -4.45 115.22 112.11 2b5x n HIS 100 Ca 0.00 2.28 0.18 0.00 -0.26 0.00 0.00 57.72 59.92 2b5x n HIS 100 Cb 0.04 -3.33 0.86 0.00 1.12 0.00 0.00 29.99 28.68 2b5x n HIS 100 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2b5x h ALA 101 N 3.12 1.00 -0.61 -1.41 0.00 -1.82 -0.85 119.26 118.69 2b5x h ALA 101 Ca 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 54.91 54.82 2b5x h ALA 101 Cb 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 17.77 2b5x h ALA 101 CO 0.00 0.00 0.03 -0.07 0.00 0.00 0.00 179.25 179.21 2b5x h LEU 102 N 0.00 1.02 -2.45 0.00 4.07 -1.86 -2.56 115.31 113.53 2b5x h LEU 102 Ca 0.00 -0.27 -0.01 0.00 0.08 0.00 0.00 57.88 57.68 2b5x h LEU 102 Cb 0.17 -0.27 -0.00 0.00 1.08 0.00 0.00 40.66 41.63 2b5x h LEU 102 CO 0.00 1.06 -0.03 0.74 -1.08 0.00 0.00 178.44 179.13 2b5x h THR 103 N 0.97 0.32 0.00 0.22 2.02 -1.37 0.45 112.91 115.52 2b5x h THR 103 Ca 0.18 -0.16 0.00 0.00 0.77 0.00 0.00 66.41 67.20 2b5x h THR 103 Cb 0.52 1.11 0.00 0.00 -1.74 0.00 0.00 68.15 68.04 2b5x h THR 103 CO 0.03 0.03 0.00 -0.78 0.37 0.00 0.00 175.52 175.16 2b5x h ASP 104 N 0.00 0.00 0.00 4.18 3.58 -1.50 0.02 116.42 122.69 2b5x h ASP 104 Ca -0.00 0.00 -0.11 0.00 0.42 0.00 0.00 57.03 57.34 2b5x h ASP 104 Cb 0.11 0.00 -0.02 0.00 1.72 0.00 0.00 39.33 41.14 2b5x h ASP 104 CO 0.00 0.00 -1.67 0.00 -2.88 0.00 0.00 179.24 174.69 2b5x n ALA 105 N -2.01 2.06 -1.22 -0.78 0.00 -0.13 -4.80 120.51 113.63 2b5x n ALA 105 Ca 0.04 -0.53 0.00 0.00 0.00 0.00 0.00 53.44 52.94 2b5x n ALA 105 Cb 0.46 -0.19 0.00 0.00 0.00 0.00 0.00 19.45 19.72 2b5x n ALA 105 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 2b5x n PHE 106 N -2.19 0.00 -3.99 0.00 3.72 0.14 -5.05 117.46 110.09 2b5x n PHE 106 Ca -0.11 0.00 -0.31 0.00 -0.05 0.00 0.00 57.45 56.98 2b5x n PHE 106 Cb 0.61 0.02 0.01 0.00 -0.94 0.00 0.00 39.48 39.18 2b5x n PHE 106 CO 0.00 0.00 0.00 0.39 -0.05 0.00 0.00 176.76 177.10 2b5x n GLU 107 N 0.00 -4.83 -1.53 -1.08 1.02 -0.01 -4.84 120.64 109.37 2b5x n GLU 107 Ca 0.00 0.53 -0.59 0.00 -0.02 0.00 0.00 57.16 57.08 2b5x n GLU 107 Cb 0.34 -5.35 -0.08 0.00 -0.02 0.00 0.00 31.44 26.34 2b5x n GLU 107 CO 0.00 0.00 0.00 -1.71 1.18 0.00 0.00 177.13 176.60 2b5x n ASN 108 N -2.80 0.27 -1.03 1.62 5.15 -1.26 -4.90 115.26 112.32 2b5x n ASN 108 Ca 0.03 1.16 -0.03 0.00 -0.60 0.00 0.00 54.58 55.14 2b5x n ASN 108 Cb 0.53 -0.94 -0.03 0.00 -0.53 0.00 0.00 39.78 38.80 2b5x n ASN 108 CO 0.00 0.00 0.00 1.21 1.40 0.00 0.00 177.26 179.87 2b5x n GLU 109 N 1.84 0.00 -5.01 1.20 2.13 -1.26 -4.86 120.64 114.68 2b5x n GLU 109 Ca 0.21 -1.12 -0.32 0.00 0.66 0.00 0.00 57.16 56.58 2b5x n GLU 109 Cb 0.08 0.23 -0.15 0.00 0.27 0.00 0.00 31.44 31.86 2b5x n GLU 109 CO 0.00 0.00 0.00 1.52 -0.41 0.00 0.00 177.13 178.24 2b5x s TYR 110 N 0.00 2.65 -0.08 4.31 -0.85 -1.26 -5.11 117.35 117.02 2b5x s TYR 110 Ca 0.09 -0.70 -0.25 0.00 -0.52 0.00 0.00 57.07 55.69 2b5x s TYR 110 Cb 0.10 -1.73 0.06 0.00 0.38 0.00 0.00 41.96 40.77 2b5x s TYR 110 CO -0.04 -0.22 0.57 0.14 -1.52 0.00 0.00 175.55 174.48 2b5x s VAL 111 N 0.10 0.01 0.16 -3.49 -7.23 -1.26 -4.57 120.40 104.13 2b5x s VAL 111 Ca -0.09 -0.12 -0.30 0.00 -1.81 0.00 0.00 61.98 59.67 2b5x s VAL 111 Cb -0.15 -0.87 -0.07 0.00 0.56 0.00 0.00 36.38 35.84 2b5x s VAL 111 CO 0.05 -0.06 0.96 -2.16 -0.31 0.00 0.00 175.10 173.58 2b5x s PRO 112 N -0.92 4.76 0.01 4.82 0.04 -1.26 -4.87 135.00 137.58 2b5x s PRO 112 Ca -0.09 1.48 -0.02 0.00 0.04 0.00 0.00 61.00 62.40 2b5x s PRO 112 Cb -0.02 -3.33 -0.01 0.00 0.04 0.00 0.00 34.50 31.17 2b5x s PRO 112 CO 0.07 0.33 0.03 0.00 0.04 0.00 0.00 177.00 177.47 2b5x s ALA 113 N -0.48 -0.04 -0.01 8.56 0.00 -0.05 -0.99 121.76 128.75 2b5x s ALA 113 Ca 0.45 -0.42 0.01 0.00 0.00 0.00 0.00 51.96 52.00 2b5x s ALA 113 Cb -0.25 0.13 0.01 0.00 0.00 0.00 0.00 23.12 23.01 2b5x s ALA 113 CO 0.31 -0.17 -0.03 0.71 0.00 0.00 0.00 175.76 176.58 2b5x s TYR 114 N -1.40 0.39 -0.06 0.00 2.02 0.05 -0.46 117.35 117.89 2b5x s TYR 114 Ca -0.15 -0.06 -0.01 0.00 -0.37 0.00 0.00 57.07 56.48 2b5x s TYR 114 Cb -0.09 -0.33 0.03 0.00 -0.40 0.00 0.00 41.96 41.17 2b5x s TYR 114 CO -0.00 -0.06 0.00 0.71 -1.57 0.00 0.00 175.55 174.63 2b5x s TYR 115 N 0.32 0.54 -0.16 2.71 1.51 -0.20 -1.58 117.35 120.49 2b5x s TYR 115 Ca -0.03 -0.09 -0.05 0.00 -1.01 0.00 0.00 57.07 55.89 2b5x s TYR 115 Cb -0.06 -0.68 -0.03 0.00 -0.11 0.00 0.00 41.96 41.07 2b5x s TYR 115 CO -0.01 -0.26 -0.01 0.08 -1.11 0.00 0.00 175.55 174.24 2b5x s VAL 116 N 1.72 4.12 0.04 0.71 1.01 0.01 -1.41 120.40 126.59 2b5x s VAL 116 Ca 0.01 -0.28 0.06 0.00 0.00 0.00 0.00 61.98 61.77 2b5x s VAL 116 Cb -0.13 -2.82 -0.02 0.00 0.00 0.00 0.00 36.38 33.41 2b5x s VAL 116 CO -0.04 0.49 -0.17 -0.36 0.00 0.00 0.00 175.10 175.02 2b5x s PHE 117 N 0.36 1.51 0.99 5.22 0.40 0.15 -0.24 117.98 126.36 2b5x s PHE 117 Ca -0.02 -0.36 -0.12 0.00 -0.60 0.00 0.00 56.93 55.83 2b5x s PHE 117 Cb -0.14 -0.90 0.18 0.00 0.51 0.00 0.00 43.02 42.68 2b5x s PHE 117 CO 0.02 0.06 1.08 0.34 0.70 0.00 0.00 175.22 177.43 2b5x s ASP 118 N -1.12 2.55 0.08 1.36 -1.08 -0.43 -0.74 116.67 117.28 2b5x s ASP 118 Ca 0.05 1.65 0.05 0.00 -0.52 0.00 0.00 52.55 53.77 2b5x s ASP 118 Cb -0.08 -2.29 0.30 0.00 -1.46 0.00 0.00 42.92 39.38 2b5x s ASP 118 CO 0.01 -3.24 1.16 2.29 0.52 0.00 0.00 175.17 175.91 2b5x n LYS 119 N -4.29 0.04 0.08 4.34 2.85 -1.26 -0.92 118.16 118.99 2b5x n LYS 119 Ca 0.07 0.53 -0.01 0.00 -1.05 0.00 0.00 58.31 57.85 2b5x n LYS 119 Cb 0.54 -1.62 -0.05 0.00 -0.65 0.00 0.00 35.03 33.25 2b5x n LYS 119 CO 0.00 0.00 0.00 1.79 -0.05 0.00 0.00 177.40 179.14 2b5x h THR 120 N 0.00 0.92 0.00 0.58 1.35 -1.91 0.02 112.91 113.87 2b5x h THR 120 Ca 0.00 -2.44 0.00 0.00 -0.55 0.00 0.00 66.41 63.42 2b5x h THR 120 Cb 0.01 2.39 0.00 0.00 -1.73 0.00 0.00 68.15 68.81 2b5x h THR 120 CO 0.00 0.52 0.00 0.61 -0.25 0.00 0.00 175.52 176.40 2b5x n GLY 121 N 1.33 0.75 3.68 5.82 0.00 -0.09 -4.84 105.19 111.84 2b5x n GLY 121 Ca -0.04 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.56 2b5x n GLY 121 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 2b5x s GLN 122 N -0.88 4.31 -0.65 1.61 -2.07 -1.26 -1.44 119.66 119.29 2b5x s GLN 122 Ca 0.00 1.69 -0.26 0.00 -1.82 0.00 0.00 55.36 54.97 2b5x s GLN 122 Cb 0.00 -3.62 -0.08 0.00 -1.09 0.00 0.00 33.01 28.22 2b5x s GLN 122 CO 0.00 -0.53 2.26 -1.17 -1.32 0.00 0.00 175.29 174.53 2b5x s LEU 123 N 2.62 3.20 0.10 2.60 2.96 0.55 -1.31 118.68 129.39 2b5x s LEU 123 Ca 0.56 0.44 -0.14 0.00 -0.22 0.00 0.00 54.13 54.77 2b5x s LEU 123 Cb -0.24 -2.53 -0.12 0.00 0.50 0.00 0.00 46.19 43.80 2b5x s LEU 123 CO 0.20 -3.08 1.35 0.03 -1.32 0.00 0.00 176.35 173.52 2b5x h ARG 124 N 15.81 0.74 -3.03 1.98 2.47 -0.95 0.28 114.38 131.68 2b5x h ARG 124 Ca -0.13 -0.51 -0.03 0.00 -1.26 0.00 0.00 59.98 58.05 2b5x h ARG 124 Cb 1.14 0.07 -0.13 0.00 -1.65 0.00 0.00 29.97 29.40 2b5x h ARG 124 CO 1.13 1.13 0.12 -1.58 0.56 0.00 0.00 179.97 181.33 2b5x s HIS 125 N -4.00 -0.45 -0.00 3.04 2.46 -0.98 -4.79 115.29 110.58 2b5x s HIS 125 Ca -0.11 0.27 -0.04 0.00 0.47 0.00 0.00 55.06 55.64 2b5x s HIS 125 Cb 0.08 0.45 -0.00 0.00 -0.13 0.00 0.00 32.58 32.99 2b5x s HIS 125 CO 0.87 -0.78 0.08 0.12 -2.47 0.00 0.00 174.74 172.56 2b5x s PHE 126 N -3.52 0.06 0.08 3.88 5.36 -1.26 -0.81 117.98 121.77 2b5x s PHE 126 Ca 0.00 -0.12 -0.08 0.00 -0.96 0.00 0.00 56.93 55.77 2b5x s PHE 126 Cb -0.00 -0.06 -0.01 0.00 -0.34 0.00 0.00 43.02 42.61 2b5x s PHE 126 CO -0.11 -0.19 0.16 -1.14 -1.46 0.00 0.00 175.22 172.49 2b5x s GLN 127 N -0.97 0.81 0.05 10.12 0.74 -0.62 -5.02 119.66 124.76 2b5x s GLN 127 Ca -0.11 -0.98 -0.05 0.00 0.05 0.00 0.00 55.36 54.28 2b5x s GLN 127 Cb -0.06 0.32 -0.02 0.00 1.10 0.00 0.00 33.01 34.35 2b5x s GLN 127 CO 0.00 -0.24 0.08 0.00 -0.55 0.00 0.00 175.29 174.58 2b5x s ALA 128 N -3.80 0.04 -1.37 1.58 0.00 -1.26 -0.77 121.76 116.18 2b5x s ALA 128 Ca 0.05 -0.71 -0.06 0.00 0.00 0.00 0.00 51.96 51.24 2b5x s ALA 128 Cb 0.05 0.29 0.03 0.00 0.00 0.00 0.00 23.12 23.48 2b5x s ALA 128 CO -0.11 -0.35 0.95 0.41 0.00 0.00 0.00 175.76 176.66 2b5x n GLY 129 N 0.54 -0.42 3.61 0.00 0.00 -0.16 -4.98 105.19 103.77 2b5x n GLY 129 Ca -0.18 0.17 -0.34 0.00 0.00 0.00 0.00 46.02 45.67 2b5x n GLY 129 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2b5x s GLY 130 N -3.80 1.87 -0.35 -0.02 0.00 -1.26 -5.03 107.32 98.74 2b5x s GLY 130 Ca 0.34 -0.77 -0.35 0.00 0.00 0.00 0.00 44.72 43.95 2b5x s GLY 130 CO 0.79 0.05 2.20 1.44 0.00 0.00 0.00 173.10 177.58 2b5x n SER 131 N 3.57 2.15 -2.18 1.64 7.64 -1.26 -1.53 113.62 123.64 2b5x n SER 131 Ca -0.17 0.39 -0.13 0.00 1.01 0.00 0.00 58.87 59.97 2b5x n SER 131 Cb 0.52 -1.27 -0.02 0.00 -1.01 0.00 0.00 64.21 62.43 2b5x n SER 131 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2b5x n GLY 132 N 6.52 -0.10 2.13 0.23 0.00 -1.26 -1.37 105.19 111.35 2b5x n GLY 132 Ca 0.41 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 46.31 2b5x n GLY 132 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 2b5x n MET 133 N -2.58 -1.60 0.22 1.61 0.00 -0.58 -4.72 117.12 109.47 2b5x n MET 133 Ca -0.14 0.70 0.06 0.00 0.00 0.00 0.00 57.70 58.31 2b5x n MET 133 Cb 0.57 -5.06 0.50 0.00 0.00 0.00 0.00 33.22 29.22 2b5x n MET 133 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 175.97 175.75 2b5x h LYS 134 N 0.00 0.00 0.00 0.03 1.63 -1.47 -1.76 116.57 115.01 2b5x h LYS 134 Ca -0.27 0.00 -0.26 0.00 -0.85 0.00 0.00 60.65 59.27 2b5x h LYS 134 Cb 0.96 0.00 0.02 0.00 -0.60 0.00 0.00 32.23 32.61 2b5x h LYS 134 CO 0.37 0.25 -1.03 1.98 -3.45 0.00 0.00 179.45 177.56 2b5x h MET 135 N 0.00 0.67 -0.47 1.90 4.05 -1.89 -3.33 114.93 115.85 2b5x h MET 135 Ca -0.00 -0.72 0.06 0.00 -0.28 0.00 0.00 59.70 58.76 2b5x h MET 135 Cb 0.48 0.20 -0.03 0.00 -0.80 0.00 0.00 31.60 31.46 2b5x h MET 135 CO 0.03 1.30 0.32 1.25 0.23 0.00 0.00 176.91 180.04 2b5x h LEU 136 N 0.38 0.34 -1.28 3.39 5.85 -1.71 0.15 115.31 122.42 2b5x h LEU 136 Ca -0.12 0.00 0.15 0.00 0.84 0.00 0.00 57.88 58.75 2b5x h LEU 136 Cb 1.68 -0.07 -0.07 0.00 0.37 0.00 0.00 40.66 42.57 2b5x h LEU 136 CO 0.20 0.22 0.58 -0.08 -0.34 0.00 0.00 178.44 179.02 2b5x h GLU 137 N 0.38 0.67 -0.17 1.25 4.81 -1.63 0.47 114.58 120.36 2b5x h GLU 137 Ca 0.21 -0.04 -0.06 0.00 -0.13 0.00 0.00 59.36 59.33 2b5x h GLU 137 Cb 0.33 -0.15 -0.00 0.00 0.63 0.00 0.00 28.75 29.56 2b5x h GLU 137 CO -0.05 0.44 -0.14 0.87 -0.73 0.00 0.00 179.01 179.40 2b5x h LYS 138 N 0.69 0.39 -0.18 1.92 1.79 -0.89 -2.24 116.57 118.05 2b5x h LYS 138 Ca 0.46 -0.20 -0.01 0.00 -2.18 0.00 0.00 60.65 58.71 2b5x h LYS 138 Cb 0.75 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 31.39 2b5x h LYS 138 CO -0.21 0.75 0.06 -0.09 -1.08 0.00 0.00 179.45 178.88 2b5x h ARG 139 N 0.04 0.27 -0.39 3.15 9.65 -1.11 0.06 114.38 126.06 2b5x h ARG 139 Ca 0.03 -0.06 0.02 0.00 -1.10 0.00 0.00 59.98 58.88 2b5x h ARG 139 Cb 0.67 -0.04 -0.03 0.00 -1.39 0.00 0.00 29.97 29.18 2b5x h ARG 139 CO 0.04 0.38 0.21 0.28 2.80 0.00 0.00 179.97 183.68 2b5x h VAL 140 N 0.12 1.01 0.00 0.20 2.07 -1.00 0.30 116.25 118.95 2b5x h VAL 140 Ca 0.06 -0.15 -0.07 0.00 0.82 0.00 0.00 66.70 67.36 2b5x h VAL 140 Cb 0.21 0.54 -0.01 0.00 -1.52 0.00 0.00 31.29 30.52 2b5x h VAL 140 CO -0.00 0.08 -0.33 -0.55 0.02 0.00 0.00 177.57 176.79 2b5x h ASN 141 N 0.43 0.00 -0.21 0.57 7.08 -1.16 -0.58 115.58 121.72 2b5x h ASN 141 Ca 0.16 0.00 -0.04 0.00 -3.08 0.00 0.00 56.30 53.34 2b5x h ASN 141 Cb 0.04 0.00 -0.01 0.00 -2.08 0.00 0.00 38.32 36.27 2b5x h ASN 141 CO -0.09 0.33 -0.02 -0.09 -2.08 0.00 0.00 177.43 175.48 2b5x h ARG 142 N 0.00 0.38 -0.74 4.14 9.65 -0.41 0.38 114.38 127.78 2b5x h ARG 142 Ca -0.00 -0.13 0.04 0.00 -1.10 0.00 0.00 59.98 58.78 2b5x h ARG 142 Cb 0.82 -0.03 -0.05 0.00 -1.39 0.00 0.00 29.97 29.32 2b5x h ARG 142 CO 0.04 0.60 0.46 0.28 2.80 0.00 0.00 179.97 184.15 2b5x h VAL 143 N 0.13 1.08 -0.41 0.20 2.07 -0.20 -1.04 116.25 118.07 2b5x h VAL 143 Ca 0.06 -0.30 0.01 0.00 0.82 0.00 0.00 66.70 67.28 2b5x h VAL 143 Cb 0.44 0.12 -0.02 0.00 -1.52 0.00 0.00 31.29 30.30 2b5x h VAL 143 CO 0.01 0.16 0.26 -0.07 0.02 0.00 0.00 177.57 177.95 2b5x h LEU 144 N 0.89 0.43 0.00 2.57 3.38 -1.05 -1.30 115.31 120.24 2b5x h LEU 144 Ca 0.30 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.27 2b5x h LEU 144 Cb 0.05 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 40.70 2b5x h LEU 144 CO -0.13 0.31 0.00 0.00 0.09 0.00 0.00 178.44 178.72 2b5x n ALA 145 N -2.23 1.56 -0.38 1.53 0.00 0.11 -1.21 120.51 119.91 2b5x n ALA 145 Ca 0.01 -0.03 0.00 0.00 0.00 0.00 0.00 53.44 53.42 2b5x n ALA 145 Cb 0.04 -1.09 0.00 0.00 0.00 0.00 0.00 19.45 18.40 2b5x n ALA 145 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.50 176.65 2b5x n GLU 146 N -1.16 1.88 -2.75 0.00 0.28 -0.68 -4.81 120.64 113.41 2b5x n GLU 146 Ca 0.03 -1.13 -0.05 0.00 -0.16 0.00 0.00 57.16 55.85 2b5x n GLU 146 Cb 0.03 -0.82 0.04 0.00 1.43 0.00 0.00 31.44 32.13 2b5x n GLU 146 CO 0.00 0.00 0.00 2.41 -0.16 0.00 0.00 177.13 179.38 2b5x n THR 147 N -0.32 1.08 -1.36 3.84 -1.04 -0.35 -5.07 114.28 111.06 2b5x n THR 147 Ca 0.00 -2.91 0.00 0.00 -2.04 0.00 0.00 64.05 59.10 2b5x n THR 147 Cb 0.34 0.98 0.00 0.00 -1.82 0.00 0.00 70.33 69.84 2b5x n THR 147 CO 0.00 0.00 0.00 1.21 -0.64 0.00 0.00 175.07 175.64