#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2b5x n LYS 2 N 0.00 -2.95 -2.89 0.03 5.02 -1.26 -4.95 118.16 111.17 2b5x n LYS 2 Ca 0.00 2.35 -0.02 0.00 -2.02 0.00 0.00 58.31 58.62 2b5x n LYS 2 Cb 0.00 -3.12 -0.01 0.00 -0.02 0.00 0.00 35.03 31.87 2b5x n LYS 2 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 2b5x n LEU 3 N -3.12 -5.62 -0.95 -0.35 4.77 -1.22 -3.95 117.00 106.55 2b5x n LEU 3 Ca -0.04 1.33 -0.12 0.00 -0.03 0.00 0.00 56.01 57.15 2b5x n LEU 3 Cb 0.46 -2.46 -0.05 0.00 -2.33 0.00 0.00 43.42 39.04 2b5x n LEU 3 CO 0.02 -2.96 -0.12 0.54 -1.33 0.00 0.00 177.39 173.54 2b5x n ARG 4 N 1.61 -1.02 -2.47 3.23 1.74 0.89 -4.99 116.66 115.65 2b5x n ARG 4 Ca -0.12 0.92 -0.40 0.00 -0.77 0.00 0.00 57.85 57.47 2b5x n ARG 4 Cb 0.30 -5.00 -0.04 0.00 -1.02 0.00 0.00 32.46 26.70 2b5x n ARG 4 CO 0.00 0.00 0.00 1.14 -1.52 0.00 0.00 177.63 177.25 2b5x s GLN 5 N -2.97 4.61 -0.36 5.56 1.03 -1.25 -4.67 119.66 121.60 2b5x s GLN 5 Ca 0.00 1.79 -0.26 0.00 0.04 0.00 0.00 55.36 56.94 2b5x s GLN 5 Cb 0.00 -3.15 0.01 0.00 0.03 0.00 0.00 33.01 29.90 2b5x s GLN 5 CO 0.00 0.19 0.93 -1.25 -2.54 0.00 0.00 175.29 172.61 2b5x s PRO 6 N -1.51 3.86 -0.17 9.60 0.04 -1.26 -0.97 135.00 144.60 2b5x s PRO 6 Ca 0.45 0.61 -0.18 0.00 0.04 0.00 0.00 61.00 61.93 2b5x s PRO 6 Cb -0.32 -3.79 -0.08 0.00 0.04 0.00 0.00 34.50 30.35 2b5x s PRO 6 CO 0.40 -0.93 0.59 0.00 0.04 0.00 0.00 177.00 177.11 2b5x n MET 7 N 6.74 0.00 0.02 4.56 0.00 -0.34 -4.92 117.12 123.19 2b5x n MET 7 Ca 0.07 0.00 -0.01 0.00 0.00 0.00 0.00 57.70 57.76 2b5x n MET 7 Cb 0.48 -0.58 -0.01 0.00 0.00 0.00 0.00 33.22 33.11 2b5x n MET 7 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 175.97 174.97 2b5x h PRO 8 N 1.82 -0.07 -1.92 3.17 0.13 -1.93 -3.49 132.00 129.72 2b5x h PRO 8 Ca -0.17 0.01 0.03 0.00 -0.87 0.00 0.00 66.00 64.99 2b5x h PRO 8 Cb 0.53 0.02 -0.22 0.00 0.13 0.00 0.00 31.00 31.46 2b5x h PRO 8 CO 0.36 -0.05 0.10 -1.83 -0.23 0.00 0.00 178.00 176.35 2b5x s GLU 9 N -1.83 0.67 -0.42 0.86 -1.05 -1.26 -5.08 118.70 110.59 2b5x s GLU 9 Ca -0.01 1.09 0.02 0.00 -0.15 0.00 0.00 54.97 55.92 2b5x s GLU 9 Cb 0.00 0.17 0.15 0.00 -0.44 0.00 0.00 34.13 34.01 2b5x s GLU 9 CO 0.03 -0.13 0.28 -0.51 0.95 0.00 0.00 175.26 175.88 2b5x s LEU 10 N 1.39 1.87 0.07 1.83 1.43 -1.26 -4.08 118.68 119.93 2b5x s LEU 10 Ca -0.08 -2.70 -0.27 0.00 -1.03 0.00 0.00 54.13 50.05 2b5x s LEU 10 Cb -0.05 -0.67 0.08 0.00 0.03 0.00 0.00 46.19 45.58 2b5x s LEU 10 CO -0.16 -0.24 0.90 0.28 0.23 0.00 0.00 176.35 177.36 2b5x s THR 11 N 0.37 0.00 0.02 5.49 -1.32 -1.26 -4.78 115.64 114.16 2b5x s THR 11 Ca 0.23 -0.29 -0.28 0.00 -1.21 0.00 0.00 61.69 60.15 2b5x s THR 11 Cb -0.14 -1.42 0.10 0.00 -1.51 0.00 0.00 72.50 69.53 2b5x s THR 11 CO -0.07 0.00 1.24 -0.83 -2.21 0.00 0.00 174.62 172.75 2b5x s GLY 12 N -2.69 -0.16 0.00 6.08 0.00 -1.26 -2.62 107.32 106.67 2b5x s GLY 12 Ca 0.08 0.14 0.00 0.00 0.00 0.00 0.00 44.72 44.93 2b5x s GLY 12 CO -0.04 3.72 0.00 -2.21 0.00 0.00 0.00 173.10 174.56 2b5x n GLU 13 N -0.77 1.83 -0.21 2.90 2.13 -1.25 -4.89 120.64 120.39 2b5x n GLU 13 Ca -0.00 0.00 -0.05 0.00 0.66 0.00 0.00 57.16 57.76 2b5x n GLU 13 Cb 0.60 -0.66 0.05 0.00 0.27 0.00 0.00 31.44 31.70 2b5x n GLU 13 CO 0.00 0.00 0.00 -0.22 -0.41 0.00 0.00 177.13 176.50 2b5x h LYS 14 N 0.00 0.77 -2.74 5.31 3.64 -1.81 -3.45 116.57 118.28 2b5x h LYS 14 Ca 0.00 -0.05 0.01 0.00 -1.27 0.00 0.00 60.65 59.34 2b5x h LYS 14 Cb 0.26 -0.17 -0.13 0.00 -0.41 0.00 0.00 32.23 31.77 2b5x h LYS 14 CO 0.00 0.51 0.28 0.00 -2.27 0.00 0.00 179.45 177.97 2b5x s ALA 15 N -6.14 -1.67 -0.06 5.00 0.00 -0.56 -4.96 121.76 113.37 2b5x s ALA 15 Ca -0.13 0.68 0.00 0.00 0.00 0.00 0.00 51.96 52.52 2b5x s ALA 15 Cb 0.14 0.70 0.02 0.00 0.00 0.00 0.00 23.12 23.98 2b5x s ALA 15 CO 0.76 -0.72 -0.03 -1.58 0.00 0.00 0.00 175.76 174.19 2b5x s TRP 16 N -3.40 0.77 -0.01 0.00 0.52 -1.26 -0.66 118.94 114.88 2b5x s TRP 16 Ca 0.01 -0.23 0.05 0.00 0.02 0.00 0.00 56.10 55.95 2b5x s TRP 16 Cb -0.01 -0.74 -0.01 0.00 -1.15 0.00 0.00 33.47 31.56 2b5x s TRP 16 CO -0.10 -0.25 -0.15 -0.51 0.02 0.00 0.00 176.95 175.95 2b5x s LEU 17 N 1.30 2.03 0.00 2.99 1.43 0.18 -4.80 118.68 121.80 2b5x s LEU 17 Ca -0.05 -0.28 0.00 0.00 -1.03 0.00 0.00 54.13 52.77 2b5x s LEU 17 Cb -0.14 -0.79 0.00 0.00 0.03 0.00 0.00 46.19 45.30 2b5x s LEU 17 CO -0.02 0.19 0.00 0.59 0.23 0.00 0.00 176.35 177.34 2b5x n ASN 18 N 2.71 0.00 0.00 2.29 3.02 -1.26 -1.21 115.26 120.81 2b5x n ASN 18 Ca -0.14 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.41 2b5x n ASN 18 Cb 0.55 -1.49 0.00 0.00 -0.61 0.00 0.00 39.78 38.22 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 -2.00 -2.21 3.07 7.41 0.00 -1.26 -4.45 105.19 105.75 2b5x n GLY 19 Ca 0.00 -1.21 -0.08 0.00 0.00 0.00 0.00 46.02 44.73 2b5x n GLY 19 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2b5x s GLU 20 N -1.89 0.53 0.29 1.61 2.02 -1.26 -3.77 118.70 116.23 2b5x s GLU 20 Ca 0.00 -0.91 -0.21 0.00 0.02 0.00 0.00 54.97 53.88 2b5x s GLU 20 Cb 0.00 0.19 0.03 0.00 0.10 0.00 0.00 34.13 34.45 2b5x s GLU 20 CO 0.00 -0.11 0.75 0.54 0.02 0.00 0.00 175.26 176.45 2b5x s VAL 21 N -2.87 0.00 0.12 2.63 0.11 -1.26 -4.91 120.40 114.22 2b5x s VAL 21 Ca -0.03 -0.98 -0.07 0.00 -2.93 0.00 0.00 61.98 57.97 2b5x s VAL 21 Cb 0.00 -2.12 -0.01 0.00 -1.53 0.00 0.00 36.38 32.72 2b5x s VAL 21 CO -0.06 0.00 0.19 0.42 -3.33 0.00 0.00 175.10 172.32 2b5x s THR 22 N -3.66 0.12 -1.67 5.04 -4.23 -1.26 -4.96 115.64 105.02 2b5x s THR 22 Ca 0.12 -1.41 0.00 0.00 -1.18 0.00 0.00 61.69 59.22 2b5x s THR 22 Cb -0.06 -1.63 0.00 0.00 1.34 0.00 0.00 72.50 72.16 2b5x s THR 22 CO 0.07 -0.53 0.30 -2.11 -0.54 0.00 0.00 174.62 171.81 2b5x n ARG 23 N -0.11 0.35 0.00 3.99 1.85 -1.26 -0.28 116.66 121.21 2b5x n ARG 23 Ca -0.11 0.00 0.00 0.00 -1.00 0.00 0.00 57.85 56.74 2b5x n ARG 23 Cb 0.63 -1.06 0.00 0.00 -1.05 0.00 0.00 32.46 30.98 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 -0.23 0.73 0.00 2.89 0.28 -1.26 -4.66 120.64 118.40 2b5x n GLU 24 Ca 0.00 -0.86 0.00 0.00 -0.16 0.00 0.00 57.16 56.14 2b5x n GLU 24 Cb 0.03 -0.93 0.00 0.00 1.43 0.00 0.00 31.44 31.97 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 -0.20 1.18 0.09 3.44 7.27 -0.30 -4.67 117.38 124.19 2b5x n GLN 25 Ca 0.00 0.00 0.12 0.00 0.07 0.00 0.00 57.00 57.19 2b5x n GLN 25 Cb 0.15 -0.70 0.45 0.00 2.41 0.00 0.00 30.24 32.56 2b5x n GLN 25 CO 0.00 0.00 0.00 -0.11 0.07 0.00 0.00 177.06 177.02 2b5x n LEU 26 N -1.30 0.56 -4.14 1.69 7.94 0.61 -4.89 117.00 117.48 2b5x n LEU 26 Ca 0.00 0.59 -0.12 0.00 -1.11 0.00 0.00 56.01 55.37 2b5x n LEU 26 Cb 0.20 -0.46 -0.08 0.00 0.53 0.00 0.00 43.42 43.61 2b5x n LEU 26 CO 0.00 -0.31 -0.06 0.27 -1.11 0.00 0.00 177.39 176.17 2b5x s ILE 27 N -3.16 0.00 0.00 1.96 -4.36 -1.26 -4.73 121.20 109.65 2b5x s ILE 27 Ca 0.08 -1.79 0.00 0.00 -0.26 0.00 0.00 60.65 58.68 2b5x s ILE 27 Cb 0.12 -2.44 0.00 0.00 1.25 0.00 0.00 42.46 41.39 2b5x s ILE 27 CO 0.47 0.00 0.00 0.61 0.24 0.00 0.00 174.94 176.26 2b5x n GLY 28 N -0.38 1.84 0.32 6.27 0.00 -0.30 -4.74 105.19 108.20 2b5x n GLY 28 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.04 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 -0.46 0.00 -4.10 1.61 2.13 -1.26 -4.99 120.64 113.57 2b5x n GLU 29 Ca 0.00 0.00 -0.14 0.00 0.66 0.00 0.00 57.16 57.68 2b5x n GLU 29 Cb 0.00 -0.27 -0.12 0.00 0.27 0.00 0.00 31.44 31.32 2b5x n GLU 29 CO 0.00 0.00 0.00 0.15 -0.41 0.00 0.00 177.13 176.87 2b5x s LYS 30 N -1.16 0.57 1.18 5.31 1.02 -1.26 -4.93 119.74 120.47 2b5x s LYS 30 Ca 0.00 -0.72 -0.15 0.00 0.02 0.00 0.00 55.97 55.11 2b5x s LYS 30 Cb 0.00 -0.40 0.28 0.00 -0.52 0.00 0.00 37.83 37.19 2b5x s LYS 30 CO 0.00 0.08 1.04 -1.25 -0.92 0.00 0.00 175.35 174.30 2b5x s PRO 31 N -1.43 -1.06 0.06 -1.68 0.04 -1.26 -4.07 135.00 125.61 2b5x s PRO 31 Ca -0.07 0.47 -0.06 0.00 0.04 0.00 0.00 61.00 61.38 2b5x s PRO 31 Cb -0.09 -1.57 -0.01 0.00 0.04 0.00 0.00 34.50 32.87 2b5x s PRO 31 CO 0.01 -3.72 0.12 0.99 0.04 0.00 0.00 177.00 174.43 2b5x s THR 32 N -2.63 0.16 -0.12 1.26 2.01 -0.04 -1.35 115.64 114.92 2b5x s THR 32 Ca 0.68 -1.29 0.01 0.00 0.31 0.00 0.00 61.69 61.40 2b5x s THR 32 Cb -0.19 -1.24 0.02 0.00 0.01 0.00 0.00 72.50 71.10 2b5x s THR 32 CO 0.61 -0.71 -0.12 -0.22 -0.69 0.00 0.00 174.62 173.48 2b5x s LEU 33 N -2.64 1.54 -0.09 4.42 2.96 0.01 -0.72 118.68 124.16 2b5x s LEU 33 Ca 0.02 -0.40 -0.00 0.00 -0.22 0.00 0.00 54.13 53.53 2b5x s LEU 33 Cb 0.04 -1.02 -0.03 0.00 0.50 0.00 0.00 46.19 45.68 2b5x s LEU 33 CO -0.09 -0.05 -0.07 -0.63 -1.32 0.00 0.00 176.35 174.20 2b5x s ILE 34 N 1.34 3.70 0.05 6.68 1.01 -0.50 -1.45 121.20 132.03 2b5x s ILE 34 Ca 0.00 -0.47 0.01 0.00 0.00 0.00 0.00 60.65 60.19 2b5x s ILE 34 Cb -0.14 -2.54 -0.03 0.00 0.01 0.00 0.00 42.46 39.77 2b5x s ILE 34 CO -0.06 0.57 -0.05 -1.38 0.00 0.00 0.00 174.94 174.03 2b5x s HIS 35 N -0.52 0.55 -0.06 3.97 -3.43 -0.87 -1.04 115.29 113.89 2b5x s HIS 35 Ca 0.08 -0.76 0.04 0.00 -0.80 0.00 0.00 55.06 53.62 2b5x s HIS 35 Cb -0.12 -0.36 -0.02 0.00 -1.43 0.00 0.00 32.58 30.65 2b5x s HIS 35 CO 0.02 -0.21 -0.18 -0.06 -2.00 0.00 0.00 174.74 172.30 2b5x s PHE 36 N -2.61 2.60 0.28 0.38 0.40 0.26 -0.71 117.98 118.58 2b5x s PHE 36 Ca -0.02 -0.43 -0.21 0.00 -0.60 0.00 0.00 56.93 55.67 2b5x s PHE 36 Cb -0.02 -1.64 0.03 0.00 0.51 0.00 0.00 43.02 41.90 2b5x s PHE 36 CO -0.04 -0.02 0.74 1.67 0.70 0.00 0.00 175.22 178.27 2b5x s TRP 37 N -0.38 -0.17 -0.14 0.36 1.48 -1.03 -0.85 118.94 118.22 2b5x s TRP 37 Ca 0.03 -0.29 -0.08 0.00 -1.06 0.00 0.00 56.10 54.70 2b5x s TRP 37 Cb -0.12 0.71 0.05 0.00 -1.16 0.00 0.00 33.47 32.95 2b5x s TRP 37 CO 0.02 -1.22 0.34 -1.12 -4.06 0.00 0.00 176.95 170.90 2b5x s SER 38 N -2.93 -0.39 0.56 -2.66 0.01 -1.26 -0.79 113.70 106.23 2b5x s SER 38 Ca 0.11 0.72 0.24 0.00 1.31 0.00 0.00 55.95 58.33 2b5x s SER 38 Cb -0.06 0.62 1.55 0.00 0.21 0.00 0.00 66.02 68.35 2b5x s SER 38 CO 0.07 -0.17 2.17 0.16 0.41 0.00 0.00 173.24 175.88 2b5x h ILE 39 N 5.51 0.72 0.00 1.44 3.07 -1.92 -2.89 117.51 123.44 2b5x h ILE 39 Ca -0.36 0.00 0.00 0.00 1.55 0.00 0.00 64.86 66.05 2b5x h ILE 39 Cb 1.17 0.96 0.00 0.00 -0.27 0.00 0.00 36.82 38.68 2b5x h ILE 39 CO 0.33 0.00 0.00 0.28 -1.05 0.00 0.00 178.15 177.71 2b5x h SER 40 N 0.00 0.00 -3.32 2.16 0.02 -1.96 -3.44 113.55 107.02 2b5x h SER 40 Ca 0.03 0.00 -0.65 0.00 -0.84 0.00 0.00 61.79 60.33 2b5x h SER 40 Cb 0.14 0.00 -0.25 0.00 0.14 0.00 0.00 62.40 62.43 2b5x h SER 40 CO -0.00 0.00 -0.73 0.00 -1.14 0.00 0.00 176.83 174.96 2b5x h HIS 42 N 6.77 1.05 -0.17 0.00 2.76 -1.89 -1.68 115.15 121.99 2b5x h HIS 42 Ca -0.28 -0.07 -0.02 0.00 -2.20 0.00 0.00 60.37 57.80 2b5x h HIS 42 Cb 1.20 -0.32 -0.01 0.00 1.55 0.00 0.00 27.41 29.83 2b5x h HIS 42 CO 0.52 0.80 0.02 -0.07 -1.30 0.00 0.00 177.93 177.89 2b5x h LEU 43 N 1.03 0.22 -0.02 0.26 4.07 -1.95 -0.07 115.31 118.85 2b5x h LEU 43 Ca 0.24 -0.02 -0.00 0.00 0.08 0.00 0.00 57.88 58.18 2b5x h LEU 43 Cb 0.18 -0.06 -0.00 0.00 1.08 0.00 0.00 40.66 41.86 2b5x h LEU 43 CO -0.02 0.26 0.01 0.00 -1.08 0.00 0.00 178.44 177.60 2b5x h LYS 45 N -0.03 0.00 0.07 0.00 1.79 -0.72 0.23 116.57 117.91 2b5x h LYS 45 Ca 0.01 0.00 -0.33 0.00 -2.18 0.00 0.00 60.65 58.14 2b5x h LYS 45 Cb 0.06 0.00 -0.03 0.00 -1.58 0.00 0.00 32.23 30.68 2b5x h LYS 45 CO -0.00 0.00 -1.85 0.39 -1.08 0.00 0.00 179.45 176.91 2b5x n GLU 46 N -2.32 0.68 -0.38 3.15 -0.58 -0.76 -4.14 120.64 116.29 2b5x n GLU 46 Ca -0.00 0.35 0.00 0.00 -0.42 0.00 0.00 57.16 57.09 2b5x n GLU 46 Cb 0.10 -1.69 0.14 0.00 -0.57 0.00 0.00 31.44 29.42 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 -0.18 1.34 -0.07 0.62 0.00 -0.43 -2.98 119.26 117.57 2b5x h ALA 47 Ca -0.43 -0.05 0.02 0.00 0.00 0.00 0.00 54.91 54.45 2b5x h ALA 47 Cb 1.77 -0.36 -0.02 0.00 0.00 0.00 0.00 17.79 19.19 2b5x h ALA 47 CO -0.05 0.56 -0.03 0.52 0.00 0.00 0.00 179.25 180.24 2b5x h MET 48 N 1.28 -0.03 -0.49 0.00 2.86 -0.72 0.51 114.93 118.33 2b5x h MET 48 Ca 0.40 0.00 -0.00 0.00 -2.06 0.00 0.00 59.70 58.04 2b5x h MET 48 Cb 0.00 0.01 -0.02 0.00 0.06 0.00 0.00 31.60 31.65 2b5x h MET 48 CO -0.13 -0.02 0.29 -1.00 1.06 0.00 0.00 176.91 177.11 2b5x h PRO 49 N -0.03 0.66 -0.09 -0.22 0.13 -1.72 -2.08 132.00 128.65 2b5x h PRO 49 Ca 0.04 -0.05 -0.11 0.00 -0.87 0.00 0.00 66.00 65.00 2b5x h PRO 49 Cb 0.09 -0.14 -0.01 0.00 0.13 0.00 0.00 31.00 31.06 2b5x h PRO 49 CO -0.09 0.47 -0.45 0.37 -0.23 0.00 0.00 178.00 178.07 2b5x h GLN 50 N 0.67 0.21 -0.88 0.86 -0.00 -0.78 -2.07 115.11 113.12 2b5x h GLN 50 Ca 0.18 -0.11 0.06 0.00 -0.00 0.00 0.00 58.65 58.78 2b5x h GLN 50 Cb -0.01 0.00 -0.06 0.00 0.00 0.00 0.00 27.48 27.41 2b5x h GLN 50 CO -0.03 0.62 0.57 0.28 0.00 0.00 0.00 178.83 180.27 2b5x h VAL 51 N 0.17 1.08 0.09 2.39 2.07 0.50 0.17 116.25 122.73 2b5x h VAL 51 Ca 0.01 -0.35 -0.00 0.00 0.82 0.00 0.00 66.70 67.18 2b5x h VAL 51 Cb 0.87 -0.02 0.00 0.00 -1.52 0.00 0.00 31.29 30.61 2b5x h VAL 51 CO 0.07 0.19 -0.04 -1.13 0.02 0.00 0.00 177.57 176.67 2b5x h ASN 52 N 1.02 -0.10 0.89 0.57 -1.24 -0.73 0.55 115.58 116.54 2b5x h ASN 52 Ca 0.37 -0.03 -0.15 0.00 0.71 0.00 0.00 56.30 57.19 2b5x h ASN 52 Cb 0.16 0.03 -0.02 0.00 0.73 0.00 0.00 38.32 39.22 2b5x h ASN 52 CO -0.13 -0.03 -0.73 1.05 -1.29 0.00 0.00 177.43 176.30 2b5x h GLU 53 N -0.16 0.00 -0.35 6.67 4.11 -1.14 -2.36 114.58 121.35 2b5x h GLU 53 Ca -0.01 0.00 -0.01 0.00 0.07 0.00 0.00 59.36 59.40 2b5x h GLU 53 Cb 0.13 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.37 2b5x h GLU 53 CO 0.02 0.73 0.16 0.35 0.07 0.00 0.00 179.01 180.35 2b5x h PHE 54 N 0.00 0.50 -0.66 2.06 3.04 -0.57 0.13 116.94 121.45 2b5x h PHE 54 Ca -0.01 -0.03 0.05 0.00 3.98 0.00 0.00 57.97 61.97 2b5x h PHE 54 Cb 1.37 -0.16 -0.05 0.00 2.56 0.00 0.00 35.95 39.68 2b5x h PHE 54 CO 0.00 0.44 0.38 -0.09 -2.02 0.00 0.00 178.31 177.01 2b5x h ARG 55 N 0.42 0.69 -0.06 1.11 1.12 -0.75 -1.18 114.38 115.73 2b5x h ARG 55 Ca 0.12 -0.04 -0.16 0.00 -1.11 0.00 0.00 59.98 58.79 2b5x h ARG 55 Cb 0.12 -0.16 -0.01 0.00 -0.01 0.00 0.00 29.97 29.92 2b5x h ARG 55 CO -0.01 0.46 -0.66 0.22 -3.11 0.00 0.00 179.97 176.86 2b5x h ASP 56 N 0.71 0.30 0.63 -3.80 3.58 -0.85 0.18 116.42 117.17 2b5x h ASP 56 Ca 0.28 -0.19 -0.05 0.00 0.42 0.00 0.00 57.03 57.50 2b5x h ASP 56 Cb 0.13 -0.09 -0.01 0.00 1.72 0.00 0.00 39.33 41.09 2b5x h ASP 56 CO -0.16 0.88 -0.23 0.11 -2.88 0.00 0.00 179.24 176.96 2b5x h LYS 57 N 0.18 0.00 0.00 0.28 1.57 -0.29 -3.38 116.57 114.93 2b5x h LYS 57 Ca -0.01 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.77 2b5x h LYS 57 Cb 1.19 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.50 2b5x h LYS 57 CO 0.10 0.23 0.00 0.66 -0.57 0.00 0.00 179.45 179.88 2b5x n TYR 58 N -3.60 0.00 0.10 -1.35 4.01 -0.49 -4.88 117.16 110.95 2b5x n TYR 58 Ca -0.01 0.00 0.04 0.00 -0.16 0.00 0.00 57.90 57.77 2b5x n TYR 58 Cb 0.37 0.00 0.22 0.00 -0.31 0.00 0.00 39.34 39.62 2b5x n TYR 58 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 2b5x n GLN 59 N -0.06 0.05 -0.13 -0.72 0.00 0.61 -0.94 117.38 116.19 2b5x n GLN 59 Ca 0.00 0.52 0.08 0.00 0.00 0.00 0.00 57.00 57.60 2b5x n GLN 59 Cb 0.14 -1.65 0.14 0.00 0.00 0.00 0.00 30.24 28.86 2b5x n GLN 59 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.06 173.59 2b5x n ASP 60 N -1.76 2.78 0.00 2.61 2.03 -1.26 -4.57 116.55 116.38 2b5x n ASP 60 Ca -0.00 -1.82 0.00 0.00 0.52 0.00 0.00 54.79 53.48 2b5x n ASP 60 Cb 0.03 -0.17 0.00 0.00 -0.72 0.00 0.00 41.12 40.26 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 0.86 3.37 -3.62 -0.67 3.00 -0.12 -5.10 117.38 115.11 2b5x n GLN 61 Ca 0.12 0.00 -0.15 0.00 -0.01 0.00 0.00 57.00 56.97 2b5x n GLN 61 Cb 0.44 -0.64 -0.06 0.00 0.00 0.00 0.00 30.24 29.97 2b5x n GLN 61 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.06 175.89 2b5x s LEU 62 N -1.12 0.08 0.15 1.08 0.20 -0.19 -4.24 118.68 114.63 2b5x s LEU 62 Ca 0.00 0.26 0.02 0.00 0.69 0.00 0.00 54.13 55.10 2b5x s LEU 62 Cb 0.00 1.96 -0.04 0.00 -0.43 0.00 0.00 46.19 47.69 2b5x s LEU 62 CO 0.00 -0.62 0.28 0.20 -0.29 0.00 0.00 176.35 175.92 2b5x s ASN 63 N -1.64 6.32 -0.02 3.68 0.01 -0.46 -4.05 114.94 118.78 2b5x s ASN 63 Ca -0.09 0.17 0.04 0.00 -0.71 0.00 0.00 52.86 52.27 2b5x s ASN 63 Cb -0.02 -1.90 -0.01 0.00 0.41 0.00 0.00 41.25 39.74 2b5x s ASN 63 CO 0.02 0.06 -0.15 -0.69 -1.51 0.00 0.00 177.10 174.83 2b5x s VAL 64 N -1.73 1.18 0.07 1.60 1.01 -1.26 -0.81 120.40 120.45 2b5x s VAL 64 Ca 0.34 -0.63 -0.12 0.00 0.00 0.00 0.00 61.98 61.58 2b5x s VAL 64 Cb -0.11 -0.99 0.01 0.00 0.00 0.00 0.00 36.38 35.29 2b5x s VAL 64 CO 0.28 0.34 0.26 0.54 0.00 0.00 0.00 175.10 176.52 2b5x s VAL 65 N -0.27 0.11 0.11 2.92 0.11 -0.53 -4.12 120.40 118.73 2b5x s VAL 65 Ca 0.04 -0.87 0.00 0.00 -2.93 0.00 0.00 61.98 58.22 2b5x s VAL 65 Cb -0.07 -1.10 -0.04 0.00 -1.53 0.00 0.00 36.38 33.65 2b5x s VAL 65 CO -0.00 -0.48 -0.00 0.00 -3.33 0.00 0.00 175.10 171.29 2b5x s ALA 66 N -3.15 0.89 -0.26 1.54 0.00 -0.97 -2.06 121.76 117.76 2b5x s ALA 66 Ca -0.01 -1.40 -0.03 0.00 0.00 0.00 0.00 51.96 50.52 2b5x s ALA 66 Cb 0.01 0.51 0.09 0.00 0.00 0.00 0.00 23.12 23.72 2b5x s ALA 66 CO -0.07 -0.37 0.09 0.08 0.00 0.00 0.00 175.76 175.49 2b5x s VAL 67 N -3.85 0.35 -0.54 0.00 1.01 0.11 -1.39 120.40 116.10 2b5x s VAL 67 Ca 0.17 -0.84 -0.25 0.00 0.00 0.00 0.00 61.98 61.07 2b5x s VAL 67 Cb 0.07 -1.15 0.04 0.00 0.00 0.00 0.00 36.38 35.33 2b5x s VAL 67 CO -0.02 -0.54 0.97 -2.28 0.00 0.00 0.00 175.10 173.23 2b5x s HIS 68 N 1.90 2.79 -0.01 5.22 2.46 -0.31 -2.46 115.29 124.88 2b5x s HIS 68 Ca 0.06 0.12 -0.30 0.00 0.47 0.00 0.00 55.06 55.41 2b5x s HIS 68 Cb -0.17 -4.11 -0.05 0.00 -0.13 0.00 0.00 32.58 28.12 2b5x s HIS 68 CO -0.23 -1.33 1.37 1.41 -2.47 0.00 0.00 174.74 173.48 2b5x s MET 69 N 4.04 4.29 -0.99 2.88 1.75 0.03 -4.43 119.30 126.87 2b5x s MET 69 Ca 0.33 1.91 -0.07 0.00 -1.25 0.00 0.00 55.69 56.62 2b5x s MET 69 Cb -0.11 -3.58 -0.10 0.00 2.84 0.00 0.00 34.83 33.88 2b5x s MET 69 CO 0.21 -0.56 2.61 -0.35 -0.65 0.00 0.00 175.02 176.29 2b5x n PRO 70 N 5.37 2.59 -0.34 4.11 -0.04 -1.26 -4.56 135.00 140.87 2b5x n PRO 70 Ca 0.13 -1.59 0.03 0.00 -0.04 0.00 0.00 63.50 62.02 2b5x n PRO 70 Cb 0.44 -2.46 0.18 0.00 -0.04 0.00 0.00 33.50 31.62 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 5.24 1.01 -4.75 0.54 2.43 -1.91 -3.44 114.38 113.50 2b5x h ARG 71 Ca 0.57 -0.06 -0.32 0.00 -0.81 0.00 0.00 59.98 59.35 2b5x h ARG 71 Cb 0.42 -0.23 -0.14 0.00 -0.42 0.00 0.00 29.97 29.60 2b5x h ARG 71 CO 1.33 0.67 -0.59 -1.12 -1.51 0.00 0.00 179.97 178.74 2b5x s SER 72 N -5.79 0.81 0.52 -3.80 0.01 -1.26 -5.02 113.70 99.18 2b5x s SER 72 Ca -0.12 -1.46 0.22 0.00 1.31 0.00 0.00 55.95 55.90 2b5x s SER 72 Cb 0.20 0.35 1.42 0.00 0.21 0.00 0.00 66.02 68.20 2b5x s SER 72 CO 0.80 -0.85 2.13 -0.08 0.41 0.00 0.00 173.24 175.65 2b5x h GLU 73 N 2.44 0.00 0.00 12.44 4.81 -1.99 -0.89 114.58 131.39 2b5x h GLU 73 Ca -0.35 0.00 -0.11 0.00 -0.13 0.00 0.00 59.36 58.77 2b5x h GLU 73 Cb 1.25 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 30.61 2b5x h GLU 73 CO 0.53 0.07 -0.52 0.22 -0.73 0.00 0.00 179.01 178.58 2b5x h ASP 74 N 0.00 0.00 0.31 1.04 3.58 -1.97 -3.00 116.42 116.37 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 0.15 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.20 2b5x h ASP 74 CO 0.01 0.52 -0.22 0.47 -2.88 0.00 0.00 179.24 177.14 2b5x n ASP 75 N -3.62 0.80 -0.09 2.28 8.00 -0.41 -4.28 116.55 119.23 2b5x n ASP 75 Ca -0.00 -0.72 0.15 0.00 0.71 0.00 0.00 54.79 54.92 2b5x n ASP 75 Cb 0.59 0.07 0.81 0.00 -0.02 0.00 0.00 41.12 42.57 2b5x n ASP 75 CO 0.00 0.00 0.00 -0.11 -0.39 0.00 0.00 177.20 176.70 2b5x n LEU 76 N -0.81 0.29 -3.90 0.64 0.00 -0.79 -4.33 117.00 108.09 2b5x n LEU 76 Ca 0.12 -0.10 -0.29 0.00 0.00 0.00 0.00 56.01 55.74 2b5x n LEU 76 Cb 0.33 -0.00 -0.16 0.00 0.00 0.00 0.00 43.42 43.58 2b5x n LEU 76 CO 0.26 0.05 -0.42 -0.62 0.00 0.00 0.00 177.39 176.66 2b5x s ASP 77 N -1.92 3.39 0.57 1.96 -1.08 -1.26 -5.02 116.67 113.30 2b5x s ASP 77 Ca 0.43 -0.96 0.35 0.00 -0.52 0.00 0.00 52.55 51.86 2b5x s ASP 77 Cb 0.20 -1.03 1.93 0.00 -1.46 0.00 0.00 42.92 42.56 2b5x s ASP 77 CO 0.34 -0.22 2.08 -0.65 0.52 0.00 0.00 175.17 177.24 2b5x h PRO 78 N 8.04 0.00 0.13 4.34 0.11 -1.93 -2.49 132.00 140.20 2b5x h PRO 78 Ca -0.20 0.00 -0.30 0.00 0.11 0.00 0.00 66.00 65.61 2b5x h PRO 78 Cb 1.09 0.00 0.03 0.00 0.11 0.00 0.00 31.00 32.23 2b5x h PRO 78 CO 0.41 0.00 -1.26 0.78 -0.21 0.00 0.00 178.00 177.72 2b5x h GLY 79 N 0.00 0.62 0.99 -0.55 0.00 -1.98 0.42 103.07 102.57 2b5x h GLY 79 Ca 0.00 -1.34 -0.01 0.00 0.00 0.00 0.00 47.33 45.98 2b5x h GLY 79 CO 0.00 1.18 0.34 0.50 0.00 0.00 0.00 176.54 178.55 2b5x h LYS 80 N 0.23 0.82 0.32 4.80 1.57 -1.82 -0.56 116.57 121.94 2b5x h LYS 80 Ca -0.18 -0.09 -0.02 0.00 -1.87 0.00 0.00 60.65 58.49 2b5x h LYS 80 Cb 1.93 -0.16 0.00 0.00 0.08 0.00 0.00 32.23 34.08 2b5x h LYS 80 CO 0.23 0.62 -0.16 0.82 -0.57 0.00 0.00 179.45 180.40 2b5x h ILE 81 N 0.80 0.70 -0.49 1.86 2.04 -1.37 -0.41 117.51 120.65 2b5x h ILE 81 Ca 0.21 -0.26 0.10 0.00 1.00 0.00 0.00 64.86 65.91 2b5x h ILE 81 Cb 0.03 0.85 -0.10 0.00 -0.74 0.00 0.00 36.82 36.86 2b5x h ILE 81 CO -0.04 0.05 -0.16 0.50 0.00 0.00 0.00 178.15 178.51 2b5x h LYS 82 N -0.58 -0.05 -0.58 2.37 1.63 -0.84 0.12 116.57 118.64 2b5x h LYS 82 Ca -0.04 0.00 -0.03 0.00 -0.85 0.00 0.00 60.65 59.73 2b5x h LYS 82 Cb 0.42 0.01 -0.03 0.00 -0.60 0.00 0.00 32.23 32.04 2b5x h LYS 82 CO 0.07 -0.03 0.26 1.49 -3.45 0.00 0.00 179.45 177.79 2b5x h GLU 83 N -0.05 0.86 0.18 1.90 4.81 -0.89 0.41 114.58 121.79 2b5x h GLU 83 Ca 0.23 -0.14 -0.01 0.00 -0.13 0.00 0.00 59.36 59.31 2b5x h GLU 83 Cb 0.41 -0.15 0.00 0.00 0.63 0.00 0.00 28.75 29.64 2b5x h GLU 83 CO -0.53 0.71 -0.08 1.15 -0.73 0.00 0.00 179.01 179.53 2b5x h THR 84 N 0.80 0.90 -0.80 0.32 2.02 -0.63 -2.91 112.91 112.61 2b5x h THR 84 Ca 0.20 -0.38 0.05 0.00 0.77 0.00 0.00 66.41 67.05 2b5x h THR 84 Cb 0.16 1.14 -0.06 0.00 -1.74 0.00 0.00 68.15 67.65 2b5x h THR 84 CO -0.02 0.09 0.49 0.00 0.37 0.00 0.00 175.52 176.45 2b5x h ALA 85 N 0.36 1.08 -0.91 6.16 0.00 -0.63 -1.15 119.26 124.18 2b5x h ALA 85 Ca -0.02 -0.01 0.10 0.00 0.00 0.00 0.00 54.91 54.98 2b5x h ALA 85 Cb 0.33 -0.22 -0.07 0.00 0.00 0.00 0.00 17.79 17.83 2b5x h ALA 85 CO 0.04 0.24 0.59 0.00 0.00 0.00 0.00 179.25 180.12 2b5x h ALA 86 N 1.37 1.62 0.19 0.00 0.00 -0.85 -2.06 119.26 119.53 2b5x h ALA 86 Ca 0.34 -0.00 -0.31 0.00 0.00 0.00 0.00 54.91 54.94 2b5x h ALA 86 Cb 0.13 -0.21 0.02 0.00 0.00 0.00 0.00 17.79 17.73 2b5x h ALA 86 CO -0.16 0.19 -1.36 0.93 0.00 0.00 0.00 179.25 178.86 2b5x h GLU 87 N 0.91 0.42 0.00 0.00 5.08 -1.14 -3.16 114.58 116.70 2b5x h GLU 87 Ca 0.43 -0.71 0.00 0.00 -1.00 0.00 0.00 59.36 58.08 2b5x h GLU 87 Cb 0.42 0.26 0.00 0.00 0.50 0.00 0.00 28.75 29.93 2b5x h GLU 87 CO -0.19 1.34 0.00 0.72 -1.00 0.00 0.00 179.01 179.88 2b5x n HIS 88 N -3.64 0.00 -1.95 4.33 8.25 -0.52 -4.89 115.22 116.80 2b5x n HIS 88 Ca -0.13 0.00 -0.17 0.00 -0.26 0.00 0.00 57.72 57.16 2b5x n HIS 88 Cb 1.06 -0.48 -0.04 0.00 1.12 0.00 0.00 29.99 31.65 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 -1.48 -5.02 -4.06 0.41 2.03 -0.81 -4.40 116.55 103.22 2b5x n ASP 89 Ca 0.03 0.18 -0.43 0.00 0.52 0.00 0.00 54.79 55.09 2b5x n ASP 89 Cb 0.12 -4.07 0.00 0.00 -0.72 0.00 0.00 41.12 36.45 2b5x n ASP 89 CO 0.00 0.00 0.00 2.30 -1.92 0.00 0.00 177.20 177.58 2b5x n ILE 90 N -3.35 3.93 0.80 5.18 -5.35 -1.16 -4.73 119.36 114.68 2b5x n ILE 90 Ca -0.19 -3.90 0.08 0.00 -0.27 0.00 0.00 62.75 58.47 2b5x n ILE 90 Cb 0.61 -2.46 0.41 0.00 -1.74 0.00 0.00 39.64 36.46 2b5x n ILE 90 CO 0.00 0.00 0.00 0.35 -1.76 0.00 0.00 176.55 175.14 2b5x n THR 91 N 4.81 0.42 -0.80 7.28 -2.24 -1.26 -4.80 114.28 117.69 2b5x n THR 91 Ca 0.46 0.10 -0.32 0.00 -2.27 0.00 0.00 64.05 62.02 2b5x n THR 91 Cb 0.40 -0.85 0.14 0.00 -2.10 0.00 0.00 70.33 67.92 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 -1.21 -0.29 -2.03 -0.78 10.64 -1.26 -4.70 117.38 117.76 2b5x n GLN 92 Ca 0.09 -0.03 -0.41 0.00 -1.83 0.00 0.00 57.00 54.82 2b5x n GLN 92 Cb 0.11 -2.10 -0.02 0.00 -0.86 0.00 0.00 30.24 27.37 2b5x n GLN 92 CO 0.00 0.00 0.00 -1.25 -1.83 0.00 0.00 177.06 173.98 2b5x s PRO 93 N -4.00 4.28 0.01 2.61 0.04 -1.26 -4.19 135.00 132.50 2b5x s PRO 93 Ca 0.62 2.31 0.00 0.00 0.04 0.00 0.00 61.00 63.98 2b5x s PRO 93 Cb -0.23 -3.05 -0.01 0.00 0.04 0.00 0.00 34.50 31.24 2b5x s PRO 93 CO 0.62 -0.30 -0.03 0.42 0.04 0.00 0.00 177.00 177.75 2b5x s ILE 94 N -0.97 0.15 0.10 0.56 1.01 -0.35 -2.28 121.20 119.42 2b5x s ILE 94 Ca 0.51 -0.58 -0.01 0.00 0.00 0.00 0.00 60.65 60.58 2b5x s ILE 94 Cb -0.42 -0.23 -0.04 0.00 0.01 0.00 0.00 42.46 41.78 2b5x s ILE 94 CO 0.54 -0.27 0.02 0.72 0.00 0.00 0.00 174.94 175.95 2b5x s PHE 95 N -0.86 0.72 0.00 3.97 -0.71 -0.48 -0.65 117.98 119.97 2b5x s PHE 95 Ca -0.09 -1.16 0.01 0.00 -1.04 0.00 0.00 56.93 54.65 2b5x s PHE 95 Cb -0.06 -0.44 -0.01 0.00 -1.21 0.00 0.00 43.02 41.30 2b5x s PHE 95 CO -0.00 -0.47 -0.04 0.08 -1.34 0.00 0.00 175.22 173.45 2b5x s VAL 96 N -4.00 0.30 0.02 -2.49 1.01 0.16 -1.16 120.40 114.24 2b5x s VAL 96 Ca 0.17 -0.32 -0.13 0.00 0.00 0.00 0.00 61.98 61.70 2b5x s VAL 96 Cb 0.08 -0.29 0.02 0.00 0.00 0.00 0.00 36.38 36.19 2b5x s VAL 96 CO -0.03 -0.02 0.29 -0.62 0.00 0.00 0.00 175.10 174.72 2b5x s ASP 97 N -0.37 -0.13 0.52 3.32 2.15 -1.26 -1.50 116.67 119.40 2b5x s ASP 97 Ca -0.01 -0.12 0.35 0.00 0.43 0.00 0.00 52.55 53.20 2b5x s ASP 97 Cb -0.03 0.33 1.71 0.00 -0.30 0.00 0.00 42.92 44.63 2b5x s ASP 97 CO -0.00 -0.55 2.05 0.28 -0.17 0.00 0.00 175.17 176.79 2b5x h SER 98 N 3.48 0.00 0.00 -0.34 0.02 -1.96 -3.37 113.55 111.38 2b5x h SER 98 Ca -0.31 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.64 2b5x h SER 98 Cb 1.19 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.73 2b5x h SER 98 CO 0.44 0.00 -0.20 -0.67 -1.14 0.00 0.00 176.83 175.26 2b5x n ASP 99 N -2.85 0.83 -1.31 3.07 2.03 -1.26 -5.02 116.55 112.05 2b5x n ASP 99 Ca -0.01 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.30 2b5x n ASP 99 Cb 0.16 0.02 0.00 0.00 -0.72 0.00 0.00 41.12 40.58 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 -1.56 -3.10 0.29 -0.67 8.25 -1.26 -4.36 115.22 112.81 2b5x n HIS 100 Ca 0.00 1.72 0.17 0.00 -0.26 0.00 0.00 57.72 59.36 2b5x n HIS 100 Cb 0.10 -2.97 0.96 0.00 1.12 0.00 0.00 29.99 29.20 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 2.27 1.47 -0.15 -1.41 0.00 -1.82 -1.01 119.26 118.61 2b5x h ALA 101 Ca 0.00 -0.00 -0.11 0.00 0.00 0.00 0.00 54.91 54.80 2b5x h ALA 101 Cb 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 2b5x h ALA 101 CO 0.00 -0.08 -0.39 -0.07 0.00 0.00 0.00 179.25 178.71 2b5x h LEU 102 N 0.00 0.34 -2.26 0.00 4.07 -1.83 -2.71 115.31 112.93 2b5x h LEU 102 Ca 0.02 -0.14 -0.01 0.00 0.08 0.00 0.00 57.88 57.83 2b5x h LEU 102 Cb 0.14 -0.10 -0.00 0.00 1.08 0.00 0.00 40.66 41.78 2b5x h LEU 102 CO -0.00 0.70 -0.03 0.74 -1.08 0.00 0.00 178.44 178.77 2b5x h THR 103 N 0.28 0.17 0.00 0.22 2.02 -1.37 0.56 112.91 114.78 2b5x h THR 103 Ca 0.03 -0.28 -0.02 0.00 0.77 0.00 0.00 66.41 66.90 2b5x h THR 103 Cb 0.81 1.24 -0.00 0.00 -1.74 0.00 0.00 68.15 68.45 2b5x h THR 103 CO 0.06 0.03 -0.12 -0.78 0.37 0.00 0.00 175.52 175.09 2b5x h ASP 104 N 0.00 0.00 0.02 4.18 3.58 -1.59 0.11 116.42 122.72 2b5x h ASP 104 Ca -0.00 0.00 -0.39 0.00 0.42 0.00 0.00 57.03 57.06 2b5x h ASP 104 Cb 0.23 0.00 -0.06 0.00 1.72 0.00 0.00 39.33 41.23 2b5x h ASP 104 CO 0.00 0.12 -2.33 0.00 -2.88 0.00 0.00 179.24 174.15 2b5x n ALA 105 N -2.15 1.25 0.13 -0.78 0.00 0.43 -4.71 120.51 114.68 2b5x n ALA 105 Ca 0.01 -0.97 0.07 0.00 0.00 0.00 0.00 53.44 52.54 2b5x n ALA 105 Cb 0.41 -0.20 -0.10 0.00 0.00 0.00 0.00 19.45 19.56 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 -3.54 0.00 -3.97 0.00 3.01 0.17 -4.77 117.46 108.35 2b5x n PHE 106 Ca -0.44 0.00 -0.27 0.00 1.01 0.00 0.00 57.45 57.75 2b5x n PHE 106 Cb 0.97 -0.24 -0.02 0.00 -0.01 0.00 0.00 39.48 40.17 2b5x n PHE 106 CO 0.00 0.00 0.00 -1.91 1.01 0.00 0.00 176.76 175.86 2b5x n GLU 107 N -1.82 -2.88 -1.47 -1.08 2.13 0.37 -4.84 120.64 111.04 2b5x n GLU 107 Ca -0.01 0.37 -0.55 0.00 0.66 0.00 0.00 57.16 57.62 2b5x n GLU 107 Cb 0.32 -4.37 -0.06 0.00 0.27 0.00 0.00 31.44 27.59 2b5x n GLU 107 CO 0.00 0.00 0.00 -1.71 -0.41 0.00 0.00 177.13 175.01 2b5x n ASN 108 N -2.94 -0.30 -2.70 4.31 5.15 -1.26 -4.94 115.26 112.57 2b5x n ASN 108 Ca -0.30 1.15 -0.03 0.00 -0.60 0.00 0.00 54.58 54.81 2b5x n ASN 108 Cb 0.68 -0.94 0.11 0.00 -0.53 0.00 0.00 39.78 39.10 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 1.38 1.40 -3.88 1.20 2.13 -1.26 -5.02 120.64 116.59 2b5x n GLU 109 Ca 0.19 -1.78 -0.14 0.00 0.66 0.00 0.00 57.16 56.09 2b5x n GLU 109 Cb 0.14 -0.06 -0.15 0.00 0.27 0.00 0.00 31.44 31.64 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 -0.67 0.12 -0.22 4.31 -0.85 -1.26 -5.14 117.35 113.64 2b5x s TYR 110 Ca 0.15 0.03 -0.27 0.00 -0.52 0.00 0.00 57.07 56.46 2b5x s TYR 110 Cb 0.42 -0.18 0.08 0.00 0.38 0.00 0.00 41.96 42.66 2b5x s TYR 110 CO -0.10 -0.05 0.76 0.14 -1.52 0.00 0.00 175.55 174.78 2b5x s VAL 111 N 0.49 0.00 0.45 -3.49 -7.23 -1.26 -4.59 120.40 104.77 2b5x s VAL 111 Ca -0.04 0.00 -0.22 0.00 -1.81 0.00 0.00 61.98 59.91 2b5x s VAL 111 Cb -0.07 -1.00 -0.08 0.00 0.56 0.00 0.00 36.38 35.79 2b5x s VAL 111 CO -0.01 0.00 1.06 -2.16 -0.31 0.00 0.00 175.10 173.67 2b5x s PRO 112 N -0.05 3.93 0.03 4.82 0.04 -1.26 -4.79 135.00 137.73 2b5x s PRO 112 Ca -0.02 1.47 -0.04 0.00 0.04 0.00 0.00 61.00 62.45 2b5x s PRO 112 Cb -0.04 -2.30 -0.02 0.00 0.04 0.00 0.00 34.50 32.19 2b5x s PRO 112 CO 0.02 -0.34 0.06 0.00 0.04 0.00 0.00 177.00 176.78 2b5x s ALA 113 N -1.80 0.02 -0.02 8.56 0.00 -0.03 -0.98 121.76 127.51 2b5x s ALA 113 Ca 0.63 -0.59 0.02 0.00 0.00 0.00 0.00 51.96 52.02 2b5x s ALA 113 Cb -0.20 0.21 0.00 0.00 0.00 0.00 0.00 23.12 23.14 2b5x s ALA 113 CO 0.24 -0.28 -0.08 0.71 0.00 0.00 0.00 175.76 176.36 2b5x s TYR 114 N -2.38 0.83 -0.06 0.00 2.02 0.20 -0.57 117.35 117.39 2b5x s TYR 114 Ca -0.07 -0.19 -0.01 0.00 -0.37 0.00 0.00 57.07 56.42 2b5x s TYR 114 Cb -0.03 -0.59 0.03 0.00 -0.40 0.00 0.00 41.96 40.97 2b5x s TYR 114 CO -0.04 -0.08 0.01 0.71 -1.57 0.00 0.00 175.55 174.59 2b5x s TYR 115 N 0.14 0.49 -0.15 2.71 1.51 -0.21 -1.47 117.35 120.37 2b5x s TYR 115 Ca -0.02 -0.05 -0.02 0.00 -1.01 0.00 0.00 57.07 55.97 2b5x s TYR 115 Cb -0.07 -0.68 -0.02 0.00 -0.11 0.00 0.00 41.96 41.07 2b5x s TYR 115 CO 0.00 -0.27 -0.07 0.08 -1.11 0.00 0.00 175.55 174.18 2b5x s VAL 116 N 1.88 3.56 -0.03 0.71 1.01 0.01 -1.41 120.40 126.13 2b5x s VAL 116 Ca 0.03 -0.48 0.04 0.00 0.00 0.00 0.00 61.98 61.57 2b5x s VAL 116 Cb -0.12 -2.54 -0.01 0.00 0.00 0.00 0.00 36.38 33.71 2b5x s VAL 116 CO -0.04 0.50 -0.16 -0.36 0.00 0.00 0.00 175.10 175.04 2b5x s PHE 117 N 0.37 1.55 0.63 5.22 0.40 0.11 -0.85 117.98 125.41 2b5x s PHE 117 Ca -0.07 -0.38 -0.16 0.00 -0.60 0.00 0.00 56.93 55.72 2b5x s PHE 117 Cb -0.15 -1.03 -0.01 0.00 0.51 0.00 0.00 43.02 42.34 2b5x s PHE 117 CO 0.04 -0.11 1.10 0.34 0.70 0.00 0.00 175.22 177.29 2b5x s ASP 118 N -0.11 5.31 0.16 1.36 -1.08 -0.15 -0.86 116.67 121.30 2b5x s ASP 118 Ca 0.00 1.97 0.06 0.00 -0.52 0.00 0.00 52.55 54.07 2b5x s ASP 118 Cb -0.09 -2.55 0.33 0.00 -1.46 0.00 0.00 42.92 39.15 2b5x s ASP 118 CO 0.01 -1.50 1.02 2.29 0.52 0.00 0.00 175.17 177.52 2b5x n LYS 119 N -2.24 0.04 0.08 4.34 2.85 -1.26 -0.89 118.16 121.09 2b5x n LYS 119 Ca 0.10 0.42 -0.10 0.00 -1.05 0.00 0.00 58.31 57.68 2b5x n LYS 119 Cb 0.52 -1.90 -0.09 0.00 -0.65 0.00 0.00 35.03 32.91 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 1.58 0.00 0.58 1.35 -1.91 -0.78 112.91 113.73 2b5x h THR 120 Ca 0.00 -3.06 0.00 0.00 -0.55 0.00 0.00 66.41 62.80 2b5x h THR 120 Cb 0.53 2.75 0.00 0.00 -1.73 0.00 0.00 68.15 69.70 2b5x h THR 120 CO 0.00 0.88 0.00 0.61 -0.25 0.00 0.00 175.52 176.76 2b5x n GLY 121 N 1.24 0.89 3.63 5.82 0.00 -0.07 -4.82 105.19 111.89 2b5x n GLY 121 Ca -0.04 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.56 2b5x n GLY 121 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2b5x s GLN 122 N -0.23 3.76 -0.86 1.61 -0.21 -1.24 -1.20 119.66 121.30 2b5x s GLN 122 Ca 0.00 2.16 -0.25 0.00 0.02 0.00 0.00 55.36 57.29 2b5x s GLN 122 Cb 0.00 -4.18 -0.06 0.00 1.00 0.00 0.00 33.01 29.78 2b5x s GLN 122 CO 0.00 -1.37 2.00 -1.17 -2.12 0.00 0.00 175.29 172.63 2b5x s LEU 123 N 5.73 3.14 0.16 2.90 2.96 -0.14 -0.98 118.68 132.45 2b5x s LEU 123 Ca 0.86 -0.47 0.07 0.00 -0.22 0.00 0.00 54.13 54.37 2b5x s LEU 123 Cb -0.34 -2.55 -0.06 0.00 0.50 0.00 0.00 46.19 43.74 2b5x s LEU 123 CO 0.36 -2.85 1.36 0.03 -1.32 0.00 0.00 176.35 173.92 2b5x h ARG 124 N 11.92 0.04 -3.12 1.98 2.47 -1.33 0.26 114.38 126.60 2b5x h ARG 124 Ca 0.05 -0.06 -0.05 0.00 -1.26 0.00 0.00 59.98 58.66 2b5x h ARG 124 Cb 1.02 0.02 -0.14 0.00 -1.65 0.00 0.00 29.97 29.22 2b5x h ARG 124 CO 1.18 0.92 0.03 -1.58 0.56 0.00 0.00 179.97 181.08 2b5x s HIS 125 N -2.98 -0.35 0.02 3.04 2.46 -1.04 -4.69 115.29 111.75 2b5x s HIS 125 Ca -0.00 0.16 -0.06 0.00 0.47 0.00 0.00 55.06 55.62 2b5x s HIS 125 Cb 0.10 0.35 -0.00 0.00 -0.13 0.00 0.00 32.58 32.90 2b5x s HIS 125 CO 0.81 -0.72 0.12 0.12 -2.47 0.00 0.00 174.74 172.60 2b5x s PHE 126 N -3.39 0.12 0.11 3.88 5.36 -1.26 -0.81 117.98 121.99 2b5x s PHE 126 Ca -0.00 -0.32 -0.08 0.00 -0.96 0.00 0.00 56.93 55.57 2b5x s PHE 126 Cb 0.00 -0.09 -0.01 0.00 -0.34 0.00 0.00 43.02 42.59 2b5x s PHE 126 CO -0.09 -0.33 0.20 -0.65 -1.46 0.00 0.00 175.22 172.89 2b5x s GLN 127 N -1.99 0.92 0.05 10.12 -1.52 -0.54 -5.02 119.66 121.67 2b5x s GLN 127 Ca -0.10 -1.05 -0.07 0.00 -1.95 0.00 0.00 55.36 52.19 2b5x s GLN 127 Cb -0.05 0.34 -0.01 0.00 -0.22 0.00 0.00 33.01 33.08 2b5x s GLN 127 CO -0.02 -0.30 0.14 0.00 -0.25 0.00 0.00 175.29 174.86 2b5x s ALA 128 N -3.90 -0.15 -1.80 6.09 0.00 -1.26 -0.63 121.76 120.11 2b5x s ALA 128 Ca 0.09 -0.53 0.00 0.00 0.00 0.00 0.00 51.96 51.53 2b5x s ALA 128 Cb 0.05 0.31 0.00 0.00 0.00 0.00 0.00 23.12 23.48 2b5x s ALA 128 CO -0.07 -0.38 0.00 0.41 0.00 0.00 0.00 175.76 175.72 2b5x n GLY 129 N 0.52 1.33 3.55 0.00 0.00 -0.15 -4.96 105.19 105.49 2b5x n GLY 129 Ca -0.18 -0.17 -0.43 0.00 0.00 0.00 0.00 46.02 45.24 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 -2.70 1.38 0.07 -0.02 0.00 -1.26 -4.99 107.32 99.79 2b5x s GLY 130 Ca 0.00 -0.94 -0.35 0.00 0.00 0.00 0.00 44.72 43.43 2b5x s GLY 130 CO 0.00 2.15 1.56 1.44 0.00 0.00 0.00 173.10 178.25 2b5x n SER 131 N 7.53 2.65 -0.50 1.64 7.64 -1.26 -1.63 113.62 129.69 2b5x n SER 131 Ca 0.05 1.08 -0.07 0.00 1.01 0.00 0.00 58.87 60.95 2b5x n SER 131 Cb 0.48 -1.32 -0.03 0.00 -1.01 0.00 0.00 64.21 62.33 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 3.35 0.70 2.97 0.23 0.00 -1.26 -3.09 105.19 108.10 2b5x n GLY 132 Ca 0.19 -0.07 -0.11 0.00 0.00 0.00 0.00 46.02 46.03 2b5x n GLY 132 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 173.32 174.47 2b5x n MET 133 N -0.74 -2.50 0.08 1.61 -0.00 -0.65 -4.71 117.12 110.20 2b5x n MET 133 Ca -0.07 0.10 -0.01 0.00 -0.00 0.00 0.00 57.70 57.72 2b5x n MET 133 Cb 0.47 -4.64 0.26 0.00 -0.00 0.00 0.00 33.22 29.31 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 -0.24 0.31 -0.10 3.17 1.63 -1.78 -2.07 116.57 117.48 2b5x h LYS 134 Ca -0.17 -0.12 -0.19 0.00 -0.85 0.00 0.00 60.65 59.32 2b5x h LYS 134 Cb 1.11 -0.02 -0.00 0.00 -0.60 0.00 0.00 32.23 32.72 2b5x h LYS 134 CO 0.24 0.58 -0.71 1.98 -3.45 0.00 0.00 179.45 178.09 2b5x h MET 135 N 0.27 0.49 -0.98 1.90 4.05 -1.88 -3.28 114.93 115.50 2b5x h MET 135 Ca 0.04 -0.38 0.04 0.00 -0.28 0.00 0.00 59.70 59.11 2b5x h MET 135 Cb 0.67 0.08 -0.06 0.00 -0.80 0.00 0.00 31.60 31.48 2b5x h MET 135 CO 0.05 1.01 0.64 1.25 0.23 0.00 0.00 176.91 180.09 2b5x h LEU 136 N 0.34 1.07 -1.16 3.39 7.12 -1.76 0.03 115.31 124.34 2b5x h LEU 136 Ca -0.03 -0.01 0.28 0.00 0.13 0.00 0.00 57.88 58.25 2b5x h LEU 136 Cb 1.29 -0.25 -0.12 0.00 -0.53 0.00 0.00 40.66 41.06 2b5x h LEU 136 CO 0.13 0.74 0.64 -0.08 -0.13 0.00 0.00 178.44 179.73 2b5x h GLU 137 N 1.24 0.43 -0.03 1.25 4.81 -1.56 0.56 114.58 121.28 2b5x h GLU 137 Ca 0.39 -0.03 -0.05 0.00 -0.13 0.00 0.00 59.36 59.54 2b5x h GLU 137 Cb -0.01 -0.10 0.00 0.00 0.63 0.00 0.00 28.75 29.28 2b5x h GLU 137 CO -0.12 0.28 -0.19 0.87 -0.73 0.00 0.00 179.01 179.12 2b5x h LYS 138 N 0.44 0.19 -0.32 1.92 1.79 -1.14 -2.47 116.57 116.97 2b5x h LYS 138 Ca 0.65 -0.16 0.01 0.00 -2.18 0.00 0.00 60.65 58.97 2b5x h LYS 138 Cb 1.49 0.03 -0.02 0.00 -1.58 0.00 0.00 32.23 32.16 2b5x h LYS 138 CO -0.43 0.82 0.21 -0.09 -1.08 0.00 0.00 179.45 178.88 2b5x h ARG 139 N -0.40 0.41 -0.47 3.15 9.65 -0.94 -0.95 114.38 124.83 2b5x h ARG 139 Ca -0.01 -0.02 0.02 0.00 -1.10 0.00 0.00 59.98 58.86 2b5x h ARG 139 Cb 0.86 -0.09 -0.03 0.00 -1.39 0.00 0.00 29.97 29.32 2b5x h ARG 139 CO 0.04 0.27 0.29 0.28 2.80 0.00 0.00 179.97 183.65 2b5x h VAL 140 N 0.42 1.08 0.00 0.20 2.07 -0.99 0.62 116.25 119.65 2b5x h VAL 140 Ca 0.12 -0.20 -0.06 0.00 0.82 0.00 0.00 66.70 67.38 2b5x h VAL 140 Cb -0.03 0.43 -0.01 0.00 -1.52 0.00 0.00 31.29 30.16 2b5x h VAL 140 CO -0.04 0.11 -0.30 -0.55 0.02 0.00 0.00 177.57 176.81 2b5x h ASN 141 N 0.59 0.00 -0.22 0.57 7.08 -1.03 0.85 115.58 123.42 2b5x h ASN 141 Ca 0.18 0.00 -0.05 0.00 -3.08 0.00 0.00 56.30 53.36 2b5x h ASN 141 Cb -0.02 0.00 -0.01 0.00 -2.08 0.00 0.00 38.32 36.22 2b5x h ASN 141 CO -0.07 0.30 -0.05 -0.09 -2.08 0.00 0.00 177.43 175.44 2b5x h ARG 142 N 0.00 0.42 -0.87 4.14 1.12 -0.56 -1.05 114.38 117.58 2b5x h ARG 142 Ca -0.00 -0.16 -0.02 0.00 -1.11 0.00 0.00 59.98 58.69 2b5x h ARG 142 Cb 0.81 -0.03 -0.04 0.00 -0.01 0.00 0.00 29.97 30.70 2b5x h ARG 142 CO 0.04 0.65 0.46 0.28 -3.11 0.00 0.00 179.97 178.29 2b5x h VAL 143 N 0.15 1.25 -0.38 0.20 2.07 -0.20 -1.45 116.25 117.90 2b5x h VAL 143 Ca 0.06 -0.65 0.03 0.00 0.82 0.00 0.00 66.70 66.96 2b5x h VAL 143 Cb 0.50 0.10 -0.04 0.00 -1.52 0.00 0.00 31.29 30.33 2b5x h VAL 143 CO 0.02 0.29 0.18 -0.07 0.02 0.00 0.00 177.57 178.01 2b5x h LEU 144 N 1.22 0.24 0.00 2.57 3.38 -0.78 -0.45 115.31 121.49 2b5x h LEU 144 Ca 0.30 0.03 0.00 0.00 0.09 0.00 0.00 57.88 58.30 2b5x h LEU 144 Cb 0.05 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 40.78 2b5x h LEU 144 CO -0.05 0.18 0.00 0.00 0.09 0.00 0.00 178.44 178.66 2b5x n ALA 145 N -2.30 1.59 0.18 1.53 0.00 -0.41 -1.22 120.51 119.88 2b5x n ALA 145 Ca 0.01 -0.04 0.02 0.00 0.00 0.00 0.00 53.44 53.44 2b5x n ALA 145 Cb 0.11 -1.11 0.01 0.00 0.00 0.00 0.00 19.45 18.46 2b5x n ALA 145 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 2b5x n GLU 146 N -1.19 0.48 -2.74 0.00 -0.58 -0.30 -4.75 120.64 111.55 2b5x n GLU 146 Ca 0.04 -0.65 -0.04 0.00 -0.42 0.00 0.00 57.16 56.09 2b5x n GLU 146 Cb 0.04 -1.03 0.05 0.00 -0.57 0.00 0.00 31.44 29.94 2b5x n GLU 146 CO 0.00 0.00 0.00 2.41 -0.48 0.00 0.00 177.13 179.06 2b5x n THR 147 N 0.05 0.96 -1.46 2.62 -1.04 -0.36 -5.06 114.28 110.00 2b5x n THR 147 Ca 0.02 -2.71 0.00 0.00 -2.04 0.00 0.00 64.05 59.33 2b5x n THR 147 Cb 0.10 1.00 0.00 0.00 -1.82 0.00 0.00 70.33 69.62 2b5x n THR 147 CO 0.00 0.00 0.00 1.21 -0.64 0.00 0.00 175.07 175.64