#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3b9k s PRO 5 N 0.00 4.13 -0.09 0.00 0.02 -1.26 -4.65 135.00 133.14 3b9k s PRO 5 Ca 0.00 2.57 0.04 0.00 0.02 0.00 0.00 61.00 63.63 3b9k s PRO 5 Cb 0.00 -3.03 -0.01 0.00 0.02 0.00 0.00 34.50 31.48 3b9k s PRO 5 CO 0.00 -0.63 -0.23 -2.00 -0.33 0.00 0.00 177.00 173.81 3b9k s GLU 6 N -0.37 2.96 -0.33 5.54 2.12 -1.01 -4.93 118.70 122.69 3b9k s GLU 6 Ca 0.64 -0.86 -0.00 0.00 0.36 0.00 0.00 54.97 55.11 3b9k s GLU 6 Cb -0.48 -2.31 0.07 0.00 0.26 0.00 0.00 34.13 31.68 3b9k s GLU 6 CO 0.47 0.24 0.04 -0.51 -0.54 0.00 0.00 175.26 174.96 3b9k s LEU 7 N 0.19 4.32 -0.25 2.70 1.02 -1.26 -0.33 118.68 125.07 3b9k s LEU 7 Ca -0.13 -1.62 -0.11 0.00 0.02 0.00 0.00 54.13 52.28 3b9k s LEU 7 Cb -0.17 -1.71 -0.05 0.00 0.02 0.00 0.00 46.19 44.29 3b9k s LEU 7 CO 0.07 -0.34 0.20 -0.13 0.02 0.00 0.00 176.35 176.17 3b9k s ARG 8 N 1.15 4.04 -0.02 1.70 0.52 0.34 -4.34 118.95 122.35 3b9k s ARG 8 Ca 0.00 -0.23 0.03 0.00 -0.52 0.00 0.00 55.73 55.01 3b9k s ARG 8 Cb -0.20 -3.58 -0.03 0.00 0.52 0.00 0.00 34.95 31.66 3b9k s ARG 8 CO -0.03 -0.03 -0.10 -1.50 0.02 0.00 0.00 175.30 173.65 3b9k s ILE 9 N 1.33 3.38 -0.05 1.52 2.07 -1.26 0.56 121.20 128.75 3b9k s ILE 9 Ca 0.09 -0.76 -0.02 0.00 -1.41 0.00 0.00 60.65 58.54 3b9k s ILE 9 Cb -0.14 -2.41 0.03 0.00 0.13 0.00 0.00 42.46 40.07 3b9k s ILE 9 CO 0.07 0.48 0.11 -0.36 -1.91 0.00 0.00 174.94 173.33 3b9k s PHE 10 N -0.88 -0.11 0.69 3.50 0.08 0.38 -4.18 117.98 117.47 3b9k s PHE 10 Ca 0.14 0.36 -0.11 0.00 0.12 0.00 0.00 56.93 57.44 3b9k s PHE 10 Cb -0.11 -0.10 0.01 0.00 -0.57 0.00 0.00 43.02 42.24 3b9k s PHE 10 CO 0.04 -0.13 1.08 -1.25 -0.10 0.00 0.00 175.22 174.86 3b9k s PRO 11 N 0.97 2.97 0.45 0.24 0.04 -1.26 -1.47 135.00 136.94 3b9k s PRO 11 Ca -0.08 0.55 0.20 0.00 0.04 0.00 0.00 61.00 61.71 3b9k s PRO 11 Cb -0.10 -2.03 1.08 0.00 0.04 0.00 0.00 34.50 33.49 3b9k s PRO 11 CO -0.04 -0.98 1.96 0.87 0.04 0.00 0.00 177.00 178.85 3b9k h LYS 12 N -0.61 0.00 -4.38 4.56 1.57 -1.97 -3.45 116.57 112.29 3b9k h LYS 12 Ca -0.45 0.00 -0.18 0.00 -1.87 0.00 0.00 60.65 58.15 3b9k h LYS 12 Cb 1.24 0.00 -0.15 0.00 0.08 0.00 0.00 32.23 33.40 3b9k h LYS 12 CO 0.63 0.22 -0.61 0.15 -0.57 0.00 0.00 179.45 179.27 3b9k s LYS 13 N -4.24 0.98 -0.28 3.15 1.02 -1.26 -4.17 119.74 114.93 3b9k s LYS 13 Ca -0.03 -1.42 -0.10 0.00 0.02 0.00 0.00 55.97 54.44 3b9k s LYS 13 Cb 0.14 0.26 0.12 0.00 -0.52 0.00 0.00 37.83 37.83 3b9k s LYS 13 CO 0.66 -0.29 0.61 1.41 -0.92 0.00 0.00 175.35 176.82 3b9k s MET 14 N -4.05 0.54 -0.72 1.68 1.75 -0.37 -4.96 119.30 113.17 3b9k s MET 14 Ca 0.25 1.38 -0.14 0.00 -1.25 0.00 0.00 55.69 55.93 3b9k s MET 14 Cb 0.07 0.77 0.19 0.00 2.84 0.00 0.00 34.83 38.70 3b9k s MET 14 CO 0.02 -0.21 0.66 -0.51 -0.65 0.00 0.00 175.02 174.34 3b9k s ASP 15 N 2.82 6.50 0.32 1.11 1.01 -1.26 -1.51 116.67 125.66 3b9k s ASP 15 Ca -0.05 -2.40 -0.09 0.00 0.71 0.00 0.00 52.55 50.71 3b9k s ASP 15 Cb -0.12 -2.19 -0.07 0.00 1.01 0.00 0.00 42.92 41.56 3b9k s ASP 15 CO -0.18 -0.65 0.65 0.00 0.21 0.00 0.00 175.17 175.20 3b9k s ALA 16 N 0.62 3.48 0.48 5.23 0.00 -1.05 -4.59 121.76 125.93 3b9k s ALA 16 Ca 0.13 -0.29 -0.05 0.00 0.00 0.00 0.00 51.96 51.75 3b9k s ALA 16 Cb -0.17 -2.53 -0.03 0.00 0.00 0.00 0.00 23.12 20.38 3b9k s ALA 16 CO -0.05 0.23 0.78 -1.21 0.00 0.00 0.00 175.76 175.51 3b9k s GLU 17 N -3.41 3.52 -0.69 0.00 2.02 -1.26 0.22 118.70 119.10 3b9k s GLU 17 Ca 0.49 0.16 -0.26 0.00 0.02 0.00 0.00 54.97 55.38 3b9k s GLU 17 Cb -0.11 -2.39 -0.03 0.00 0.10 0.00 0.00 34.13 31.71 3b9k s GLU 17 CO 0.27 -0.20 1.89 -0.51 0.02 0.00 0.00 175.26 176.72 3b9k s LEU 18 N -4.73 3.26 0.00 1.80 1.43 -1.26 -2.79 118.68 116.39 3b9k s LEU 18 Ca 0.47 0.06 0.00 0.00 -1.03 0.00 0.00 54.13 53.64 3b9k s LEU 18 Cb -0.10 -2.54 0.00 0.00 0.03 0.00 0.00 46.19 43.58 3b9k s LEU 18 CO 0.44 -2.48 0.00 0.61 0.23 0.00 0.00 176.35 175.15 3b9k n GLY 19 N 6.02 1.39 3.87 -3.19 0.00 0.59 -4.92 105.19 108.95 3b9k n GLY 19 Ca 0.26 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.96 3b9k n GLY 19 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 3b9k s GLN 20 N -0.28 3.82 -0.10 1.61 -2.07 -1.12 -4.36 119.66 117.16 3b9k s GLN 20 Ca 0.00 0.30 -0.30 0.00 -1.82 0.00 0.00 55.36 53.55 3b9k s GLN 20 Cb 0.00 -2.68 -0.01 0.00 -1.09 0.00 0.00 33.01 29.23 3b9k s GLN 20 CO 0.00 0.34 1.01 0.21 -1.32 0.00 0.00 175.29 175.53 3b9k s LYS 21 N -2.71 4.42 -0.15 9.60 2.20 -1.19 -2.64 119.74 129.27 3b9k s LYS 21 Ca 0.46 1.40 0.02 0.00 -0.36 0.00 0.00 55.97 57.49 3b9k s LYS 21 Cb -0.12 -3.54 0.01 0.00 -1.51 0.00 0.00 37.83 32.67 3b9k s LYS 21 CO 0.21 -0.31 -0.20 0.08 -0.36 0.00 0.00 175.35 174.76 3b9k s VAL 22 N 2.00 2.16 -0.41 4.02 1.01 -0.03 -4.99 120.40 124.16 3b9k s VAL 22 Ca 0.49 -0.93 -0.07 0.00 0.00 0.00 0.00 61.98 61.46 3b9k s VAL 22 Cb -0.18 -1.88 0.09 0.00 0.00 0.00 0.00 36.38 34.40 3b9k s VAL 22 CO 0.18 0.54 0.22 -1.81 0.00 0.00 0.00 175.10 174.24 3b9k s ASP 23 N 0.94 5.47 -0.22 3.32 1.01 -1.26 -1.49 116.67 124.45 3b9k s ASP 23 Ca -0.04 -1.63 -0.16 0.00 0.71 0.00 0.00 52.55 51.43 3b9k s ASP 23 Cb -0.15 -1.92 -0.04 0.00 1.01 0.00 0.00 42.92 41.82 3b9k s ASP 23 CO -0.04 -0.52 0.41 -0.76 0.21 0.00 0.00 175.17 174.47 3b9k s LEU 24 N 1.33 4.13 -0.19 1.23 1.43 0.70 -4.53 118.68 122.78 3b9k s LEU 24 Ca 0.03 0.49 0.01 0.00 -1.03 0.00 0.00 54.13 53.64 3b9k s LEU 24 Cb -0.23 -2.52 0.03 0.00 0.03 0.00 0.00 46.19 43.50 3b9k s LEU 24 CO 0.00 -0.12 -0.17 -0.69 0.23 0.00 0.00 176.35 175.60 3b9k s VAL 25 N 1.53 2.01 -0.19 -1.59 1.01 -0.54 0.54 120.40 123.15 3b9k s VAL 25 Ca 0.19 -1.06 -0.04 0.00 0.00 0.00 0.00 61.98 61.07 3b9k s VAL 25 Cb -0.15 -1.90 -0.02 0.00 0.00 0.00 0.00 36.38 34.31 3b9k s VAL 25 CO 0.08 0.39 -0.02 0.00 0.00 0.00 0.00 175.10 175.55 3b9k s GLU 27 N 0.99 3.51 -0.36 0.00 2.12 0.19 -0.61 118.70 124.54 3b9k s GLU 27 Ca 0.01 -0.57 -0.12 0.00 0.36 0.00 0.00 54.97 54.66 3b9k s GLU 27 Cb -0.14 -3.06 0.01 0.00 0.26 0.00 0.00 34.13 31.19 3b9k s GLU 27 CO 0.01 -0.10 0.22 0.08 -0.54 0.00 0.00 175.26 174.93 3b9k s VAL 28 N 1.26 4.82 0.43 3.70 1.01 -0.16 -0.50 120.40 130.96 3b9k s VAL 28 Ca 0.03 -0.62 0.08 0.00 0.00 0.00 0.00 61.98 61.48 3b9k s VAL 28 Cb -0.15 -3.60 0.00 0.00 0.00 0.00 0.00 36.38 32.63 3b9k s VAL 28 CO 0.00 -0.14 0.49 -0.76 0.00 0.00 0.00 175.10 174.69 3b9k s LEU 29 N 1.62 3.50 0.26 3.92 1.43 0.55 -4.89 118.68 125.07 3b9k s LEU 29 Ca 0.04 -0.60 0.00 0.00 -1.03 0.00 0.00 54.13 52.54 3b9k s LEU 29 Cb -0.18 -2.33 0.00 0.00 0.03 0.00 0.00 46.19 43.71 3b9k s LEU 29 CO 0.08 -0.75 0.00 0.61 0.23 0.00 0.00 176.35 176.52 3b9k n GLY 30 N -1.74 -3.19 3.56 -3.19 0.00 -1.26 -2.39 105.19 96.97 3b9k n GLY 30 Ca 0.06 -1.17 -0.17 0.00 0.00 0.00 0.00 46.02 44.74 3b9k n GLY 30 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3b9k s SER 31 N -4.58 4.14 0.16 1.61 0.15 -1.26 -4.80 113.70 109.12 3b9k s SER 31 Ca 0.00 -0.02 0.00 0.00 0.70 0.00 0.00 55.95 56.63 3b9k s SER 31 Cb 0.00 -2.55 0.00 0.00 -1.71 0.00 0.00 66.02 61.76 3b9k s SER 31 CO 0.00 -3.63 0.00 1.33 1.20 0.00 0.00 173.24 172.14 3b9k n VAL 32 N 8.58 0.00 0.05 4.45 0.24 -1.26 -4.77 118.33 125.62 3b9k n VAL 32 Ca 0.45 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.75 3b9k n VAL 32 Cb 0.44 -1.64 0.00 0.00 -1.47 0.00 0.00 33.84 31.17 3b9k n VAL 32 CO 0.00 0.00 0.00 -0.24 -2.14 0.00 0.00 176.83 174.45 3b9k n SER 33 N -0.77 -0.44 -4.74 -1.34 2.88 -1.26 -5.13 113.62 102.82 3b9k n SER 33 Ca 0.00 0.17 -0.27 0.00 -1.33 0.00 0.00 58.87 57.44 3b9k n SER 33 Cb 0.00 0.58 -0.07 0.00 -0.75 0.00 0.00 64.21 63.96 3b9k n SER 33 CO 0.00 0.00 0.00 -1.10 -1.23 0.00 0.00 175.04 172.71 3b9k s GLN 34 N -2.00 2.17 0.00 -1.46 -0.21 -1.26 -4.84 119.66 112.06 3b9k s GLN 34 Ca 0.00 -2.04 0.00 0.00 0.02 0.00 0.00 55.36 53.34 3b9k s GLN 34 Cb 0.00 -1.83 0.00 0.00 1.00 0.00 0.00 33.01 32.18 3b9k s GLN 34 CO 0.00 -0.23 0.00 0.41 -2.12 0.00 0.00 175.29 173.35 3b9k n GLY 35 N -1.27 -2.34 3.38 3.09 0.00 -1.26 -4.59 105.19 102.20 3b9k n GLY 35 Ca -0.06 -1.06 -0.13 0.00 0.00 0.00 0.00 46.02 44.76 3b9k n GLY 35 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3b9k s SER 37 N 0.23 4.21 -0.14 0.00 0.01 -0.14 -1.66 113.70 116.21 3b9k s SER 37 Ca -0.00 -0.17 -0.08 0.00 1.31 0.00 0.00 55.95 57.01 3b9k s SER 37 Cb -0.03 -1.11 -0.04 0.00 0.21 0.00 0.00 66.02 65.04 3b9k s SER 37 CO 0.01 0.31 0.13 0.26 0.41 0.00 0.00 173.24 174.36 3b9k s TRP 38 N -0.49 3.53 0.09 2.43 0.52 0.80 -1.29 118.94 124.52 3b9k s TRP 38 Ca 0.07 0.45 0.04 0.00 0.02 0.00 0.00 56.10 56.68 3b9k s TRP 38 Cb -0.12 -2.01 -0.03 0.00 -1.15 0.00 0.00 33.47 30.16 3b9k s TRP 38 CO 0.02 0.59 -0.10 -0.51 0.02 0.00 0.00 176.95 176.97 3b9k s LEU 39 N -0.58 2.38 -0.00 2.99 1.43 -0.06 -0.84 118.68 124.00 3b9k s LEU 39 Ca 0.13 -0.77 -0.06 0.00 -1.03 0.00 0.00 54.13 52.39 3b9k s LEU 39 Cb -0.12 -0.30 0.00 0.00 0.03 0.00 0.00 46.19 45.81 3b9k s LEU 39 CO 0.02 -0.25 0.12 0.12 0.23 0.00 0.00 176.35 176.59 3b9k s PHE 40 N -2.27 0.04 -0.32 0.29 2.19 -0.61 -1.60 117.98 115.69 3b9k s PHE 40 Ca 0.03 -0.12 -0.10 0.00 0.33 0.00 0.00 56.93 57.07 3b9k s PHE 40 Cb -0.04 -0.05 -0.00 0.00 -1.31 0.00 0.00 43.02 41.62 3b9k s PHE 40 CO 0.00 -0.26 0.17 -0.65 1.83 0.00 0.00 175.22 176.31 3b9k s GLN 41 N -1.24 3.30 -0.13 10.12 -0.21 0.60 -1.35 119.66 130.75 3b9k s GLN 41 Ca -0.13 -0.75 -0.29 0.00 0.02 0.00 0.00 55.36 54.20 3b9k s GLN 41 Cb -0.07 -3.61 -0.01 0.00 1.00 0.00 0.00 33.01 30.31 3b9k s GLN 41 CO 0.01 -0.45 1.11 1.21 -2.12 0.00 0.00 175.29 175.05 3b9k s ASN 42 N 1.62 7.12 -0.00 5.90 3.84 -1.26 -0.82 114.94 131.34 3b9k s ASN 42 Ca 0.04 1.60 -0.25 0.00 0.21 0.00 0.00 52.86 54.46 3b9k s ASN 42 Cb -0.17 -2.55 -0.19 0.00 -0.55 0.00 0.00 41.25 37.79 3b9k s ASN 42 CO 0.07 -0.58 1.32 0.77 -2.79 0.00 0.00 177.10 175.89 3b9k h SER 43 N 7.43 -0.06 -3.48 -4.21 4.64 -1.93 -3.41 113.55 112.53 3b9k h SER 43 Ca -0.29 -0.36 -0.46 0.00 -0.47 0.00 0.00 61.79 60.21 3b9k h SER 43 Cb 1.13 0.02 0.21 0.00 -0.31 0.00 0.00 62.40 63.44 3b9k h SER 43 CO 0.91 0.34 0.05 -0.44 -0.87 0.00 0.00 176.83 176.82 3b9k s SER 44 N -5.51 1.33 -0.78 4.97 0.01 -1.26 -4.07 113.70 108.39 3b9k s SER 44 Ca -0.15 1.70 -0.02 0.00 1.31 0.00 0.00 55.95 58.80 3b9k s SER 44 Cb 0.02 -2.39 0.00 0.00 0.21 0.00 0.00 66.02 63.86 3b9k s SER 44 CO 0.65 -4.01 0.64 -1.54 0.41 0.00 0.00 173.24 169.38 3b9k n SER 45 N -4.81 -5.95 -4.55 2.44 3.41 -1.26 -4.56 113.62 98.33 3b9k n SER 45 Ca 0.05 -0.60 -0.16 0.00 -0.26 0.00 0.00 58.87 57.91 3b9k n SER 45 Cb 0.54 -3.00 -0.09 0.00 -0.26 0.00 0.00 64.21 61.39 3b9k n SER 45 CO 0.00 0.00 0.00 1.17 -0.16 0.00 0.00 175.04 176.05 3b9k n LYS 46 N -2.19 0.50 -3.84 4.33 4.81 -1.26 -4.80 118.16 115.70 3b9k n LYS 46 Ca -0.19 -0.69 -0.30 0.00 -0.87 0.00 0.00 58.31 56.26 3b9k n LYS 46 Cb 0.62 -3.30 -0.16 0.00 0.02 0.00 0.00 35.03 32.22 3b9k n LYS 46 CO 0.00 0.00 0.00 -0.51 1.17 0.00 0.00 177.40 178.06 3b9k s LEU 47 N 12.65 2.43 0.47 3.14 1.43 -1.26 -5.00 118.68 132.54 3b9k s LEU 47 Ca 0.99 -1.35 0.33 0.00 -1.03 0.00 0.00 54.13 53.06 3b9k s LEU 47 Cb -0.24 -1.02 1.44 0.00 0.03 0.00 0.00 46.19 46.40 3b9k s LEU 47 CO 0.16 -0.32 1.68 -0.65 0.23 0.00 0.00 176.35 177.45 3b9k h PRO 48 N 8.02 0.11 -5.91 1.29 0.11 -1.90 -3.42 132.00 130.30 3b9k h PRO 48 Ca -0.15 -0.01 -0.71 0.00 0.11 0.00 0.00 66.00 65.25 3b9k h PRO 48 Cb 1.06 -0.03 -0.03 0.00 0.11 0.00 0.00 31.00 32.11 3b9k h PRO 48 CO 0.43 0.07 1.40 0.94 -0.21 0.00 0.00 178.00 180.63 3b9k n GLN 49 N -4.45 0.42 -2.17 1.05 7.27 -1.26 -4.93 117.38 113.31 3b9k n GLN 49 Ca 0.34 0.11 -0.40 0.00 0.07 0.00 0.00 57.00 57.11 3b9k n GLN 49 Cb 1.38 -1.90 -0.02 0.00 2.41 0.00 0.00 30.24 32.12 3b9k n GLN 49 CO 0.00 0.00 0.00 -2.14 0.07 0.00 0.00 177.06 174.99 3b9k s PRO 50 N 6.36 4.29 0.04 3.69 0.02 -1.26 -4.72 135.00 143.42 3b9k s PRO 50 Ca 1.17 2.12 0.08 0.00 0.02 0.00 0.00 61.00 64.39 3b9k s PRO 50 Cb -1.22 -2.99 -0.03 0.00 0.02 0.00 0.00 34.50 30.29 3b9k s PRO 50 CO 0.58 -0.21 -0.22 0.95 -0.33 0.00 0.00 177.00 177.77 3b9k s THR 51 N -1.19 2.50 0.08 0.99 -4.23 -0.46 -4.92 115.64 108.41 3b9k s THR 51 Ca 0.51 -1.28 -0.31 0.00 -1.18 0.00 0.00 61.69 59.43 3b9k s THR 51 Cb -0.38 -2.02 -0.06 0.00 1.34 0.00 0.00 72.50 71.38 3b9k s THR 51 CO 0.49 0.35 1.21 0.12 -0.54 0.00 0.00 174.62 176.25 3b9k s PHE 52 N -0.87 3.43 -0.08 3.99 5.36 -1.26 -1.58 117.98 126.97 3b9k s PHE 52 Ca 0.13 1.30 -0.09 0.00 -0.96 0.00 0.00 56.93 57.32 3b9k s PHE 52 Cb -0.10 -3.43 -0.03 0.00 -0.34 0.00 0.00 43.02 39.12 3b9k s PHE 52 CO 0.04 -1.31 -0.17 0.28 -1.46 0.00 0.00 175.22 172.60 3b9k n VAL 53 N 3.75 0.77 -3.74 3.12 0.31 -0.02 -4.48 118.33 118.04 3b9k n VAL 53 Ca 0.08 0.31 -0.11 0.00 -0.01 0.00 0.00 64.34 64.61 3b9k n VAL 53 Cb 0.46 -1.89 -0.07 0.00 -0.91 0.00 0.00 33.84 31.43 3b9k n VAL 53 CO 0.00 0.00 0.00 0.54 -1.32 0.00 0.00 176.83 176.05 3b9k s VAL 54 N -1.96 0.09 -0.01 2.52 0.11 -1.15 -0.76 120.40 119.24 3b9k s VAL 54 Ca -0.14 -0.75 0.04 0.00 -2.93 0.00 0.00 61.98 58.21 3b9k s VAL 54 Cb 0.02 -1.07 -0.01 0.00 -1.53 0.00 0.00 36.38 33.79 3b9k s VAL 54 CO 0.21 -0.41 -0.14 -0.47 -3.33 0.00 0.00 175.10 170.96 3b9k s TYR 55 N -3.09 1.24 0.03 1.54 6.14 0.11 -0.14 117.35 123.18 3b9k s TYR 55 Ca -0.01 -0.24 0.05 0.00 0.64 0.00 0.00 57.07 57.51 3b9k s TYR 55 Cb 0.01 -0.80 -0.02 0.00 0.42 0.00 0.00 41.96 41.57 3b9k s TYR 55 CO -0.07 -0.02 -0.15 -1.64 0.64 0.00 0.00 175.55 174.31 3b9k s MET 56 N -0.34 1.05 0.59 4.97 -1.94 -0.67 -0.73 119.30 122.24 3b9k s MET 56 Ca 0.05 -0.76 -0.14 0.00 -1.71 0.00 0.00 55.69 53.13 3b9k s MET 56 Cb -0.05 -1.08 -0.04 0.00 2.01 0.00 0.00 34.83 35.66 3b9k s MET 56 CO -0.00 0.27 1.03 0.00 -0.01 0.00 0.00 175.02 176.31 3b9k s ALA 57 N -0.77 2.90 0.03 3.03 0.00 -1.17 -0.56 121.76 125.21 3b9k s ALA 57 Ca 0.03 0.19 -0.14 0.00 0.00 0.00 0.00 51.96 52.04 3b9k s ALA 57 Cb -0.08 -3.16 -0.35 0.00 0.00 0.00 0.00 23.12 19.53 3b9k s ALA 57 CO 0.01 -0.67 0.99 0.66 0.00 0.00 0.00 175.76 176.75 3b9k h SER 58 N 0.28 0.80 0.00 0.00 4.64 -1.88 -3.43 113.55 113.97 3b9k h SER 58 Ca -0.46 -0.87 -0.28 0.00 -0.47 0.00 0.00 61.79 59.70 3b9k h SER 58 Cb 1.20 -0.26 -0.04 0.00 -0.31 0.00 0.00 62.40 62.99 3b9k h SER 58 CO 0.59 1.69 -1.97 -1.54 -0.87 0.00 0.00 176.83 174.73 3b9k n SER 59 N -3.69 1.54 -4.90 4.97 3.41 -1.26 -4.65 113.62 109.03 3b9k n SER 59 Ca -0.17 0.15 -0.29 0.00 -0.26 0.00 0.00 58.87 58.31 3b9k n SER 59 Cb 1.10 -0.46 0.08 0.00 -0.26 0.00 0.00 64.21 64.67 3b9k n SER 59 CO 0.00 0.00 0.00 -1.00 -0.16 0.00 0.00 175.04 173.88 3b9k s HIS 60 N -2.32 2.97 -0.98 7.33 3.76 -1.26 -5.02 115.29 119.77 3b9k s HIS 60 Ca -0.24 0.72 -0.04 0.00 -0.15 0.00 0.00 55.06 55.35 3b9k s HIS 60 Cb 0.09 -3.42 0.24 0.00 1.11 0.00 0.00 32.58 30.60 3b9k s HIS 60 CO 0.32 -1.68 0.91 -0.80 -0.85 0.00 0.00 174.74 172.64 3b9k s ASN 61 N -4.56 6.51 -0.11 1.40 0.01 -1.26 -4.43 114.94 112.50 3b9k s ASN 61 Ca 0.61 -3.70 -0.07 0.00 -0.71 0.00 0.00 52.86 48.99 3b9k s ASN 61 Cb -0.11 -2.02 0.04 0.00 0.41 0.00 0.00 41.25 39.57 3b9k s ASN 61 CO 0.49 -0.21 0.28 -0.75 -1.51 0.00 0.00 177.10 175.39 3b9k s LYS 62 N -1.36 0.26 -0.15 -0.60 2.20 -1.26 -5.08 119.74 113.76 3b9k s LYS 62 Ca 0.29 0.54 0.02 0.00 -0.36 0.00 0.00 55.97 56.46 3b9k s LYS 62 Cb -0.08 -0.05 0.01 0.00 -1.51 0.00 0.00 37.83 36.21 3b9k s LYS 62 CO -0.11 -0.13 -0.20 0.42 -0.36 0.00 0.00 175.35 174.96 3b9k s ILE 63 N 1.04 1.97 -0.19 5.43 1.01 -1.26 -3.05 121.20 126.14 3b9k s ILE 63 Ca -0.07 -0.91 0.01 0.00 0.00 0.00 0.00 60.65 59.68 3b9k s ILE 63 Cb -0.08 -1.76 0.03 0.00 0.01 0.00 0.00 42.46 40.66 3b9k s ILE 63 CO -0.07 0.53 -0.15 -0.89 0.00 0.00 0.00 174.94 174.35 3b9k s THR 64 N 1.04 1.89 0.47 2.92 2.01 0.09 -4.98 115.64 119.08 3b9k s THR 64 Ca -0.02 -0.99 -0.02 0.00 0.31 0.00 0.00 61.69 60.97 3b9k s THR 64 Cb -0.14 -1.81 -0.01 0.00 0.01 0.00 0.00 72.50 70.54 3b9k s THR 64 CO -0.06 0.36 0.72 0.26 -0.69 0.00 0.00 174.62 175.21 3b9k s TRP 65 N 1.32 3.30 -0.71 4.92 0.52 -1.26 0.05 118.94 127.08 3b9k s TRP 65 Ca 0.02 0.41 -0.26 0.00 0.02 0.00 0.00 56.10 56.29 3b9k s TRP 65 Cb -0.15 -2.36 -0.09 0.00 -1.15 0.00 0.00 33.47 29.72 3b9k s TRP 65 CO -0.10 -0.40 2.26 0.34 0.02 0.00 0.00 176.95 179.07 3b9k s ASP 66 N -4.20 4.42 0.21 2.95 2.15 0.06 -4.83 116.67 117.43 3b9k s ASP 66 Ca 0.48 0.21 -0.16 0.00 0.43 0.00 0.00 52.55 53.52 3b9k s ASP 66 Cb -0.10 -2.54 0.22 0.00 -0.30 0.00 0.00 42.92 40.20 3b9k s ASP 66 CO 0.40 -3.24 1.41 1.21 -0.17 0.00 0.00 175.17 174.78 3b9k n GLU 67 N 8.92 -0.21 -0.33 4.34 2.13 -1.26 -0.43 120.64 133.79 3b9k n GLU 67 Ca 0.40 1.39 0.22 0.00 0.66 0.00 0.00 57.16 59.83 3b9k n GLU 67 Cb 0.48 -2.07 0.48 0.00 0.27 0.00 0.00 31.44 30.60 3b9k n GLU 67 CO 0.00 0.00 0.00 -0.22 -0.41 0.00 0.00 177.13 176.50 3b9k h LYS 68 N 0.00 0.43 0.00 5.31 3.64 -1.98 -3.23 116.57 120.74 3b9k h LYS 68 Ca 0.31 -0.03 -0.05 0.00 -1.27 0.00 0.00 60.65 59.62 3b9k h LYS 68 Cb 0.54 -0.10 -0.01 0.00 -0.41 0.00 0.00 32.23 32.26 3b9k h LYS 68 CO -0.90 0.28 -1.17 1.28 -2.27 0.00 0.00 179.45 176.67 3b9k n LEU 69 N -4.69 2.14 -2.14 5.20 4.77 -0.78 -4.91 117.00 116.59 3b9k n LEU 69 Ca 0.26 0.00 -0.28 0.00 -0.03 0.00 0.00 56.01 55.96 3b9k n LEU 69 Cb 0.85 -0.10 0.10 0.00 -2.33 0.00 0.00 43.42 41.94 3b9k n LEU 69 CO 0.23 0.40 1.14 0.59 -1.33 0.00 0.00 177.39 178.43 3b9k n ASN 70 N -2.76 5.99 0.13 -1.43 3.02 0.43 -4.48 115.26 116.15 3b9k n ASN 70 Ca -0.06 -3.75 -0.14 0.00 -0.03 0.00 0.00 54.58 50.61 3b9k n ASN 70 Cb 0.55 -0.82 -0.08 0.00 -0.61 0.00 0.00 39.78 38.83 3b9k n ASN 70 CO 0.00 0.00 0.00 0.28 -2.62 0.00 0.00 177.26 174.92 3b9k h SER 71 N 1.74 -0.25 -3.45 6.41 0.02 -1.75 -3.42 113.55 112.85 3b9k h SER 71 Ca 0.54 -0.13 -0.54 0.00 -0.84 0.00 0.00 61.79 60.82 3b9k h SER 71 Cb 1.40 0.06 -0.04 0.00 0.14 0.00 0.00 62.40 63.97 3b9k h SER 71 CO 1.25 -0.01 0.17 -0.94 -1.14 0.00 0.00 176.83 176.16 3b9k s SER 72 N -5.09 7.26 -0.17 3.07 1.04 -1.26 -5.06 113.70 113.49 3b9k s SER 72 Ca -0.15 1.50 -0.10 0.00 0.48 0.00 0.00 55.95 57.68 3b9k s SER 72 Cb 0.04 -2.48 -0.05 0.00 0.10 0.00 0.00 66.02 63.63 3b9k s SER 72 CO 0.62 0.04 0.16 -0.54 0.98 0.00 0.00 173.24 174.50 3b9k s LYS 73 N -0.23 3.99 0.00 4.02 3.01 -1.26 -4.89 119.74 124.38 3b9k s LYS 73 Ca 0.39 -0.14 0.18 0.00 -1.01 0.00 0.00 55.97 55.38 3b9k s LYS 73 Cb -0.21 -3.35 -0.08 0.00 -1.01 0.00 0.00 37.83 33.17 3b9k s LYS 73 CO 0.24 0.43 0.85 1.28 0.51 0.00 0.00 175.35 178.66 3b9k n LEU 74 N 3.07 1.37 -4.37 3.17 4.77 -1.26 -5.07 117.00 118.68 3b9k n LEU 74 Ca -0.17 -0.65 -0.21 0.00 -0.03 0.00 0.00 56.01 54.96 3b9k n LEU 74 Cb 0.53 0.00 -0.10 0.00 -2.33 0.00 0.00 43.42 41.51 3b9k n LEU 74 CO 0.36 0.28 -0.46 -0.36 -1.33 0.00 0.00 177.39 175.88 3b9k s PHE 75 N -2.33 1.88 0.07 -1.77 0.08 -1.26 -2.31 117.98 112.34 3b9k s PHE 75 Ca 0.12 -0.49 0.04 0.00 0.12 0.00 0.00 56.93 56.72 3b9k s PHE 75 Cb 0.14 -0.88 -0.03 0.00 -0.57 0.00 0.00 43.02 41.69 3b9k s PHE 75 CO 0.57 0.44 -0.12 -1.12 -0.10 0.00 0.00 175.22 174.88 3b9k s SER 76 N -3.18 1.46 -0.02 1.36 0.01 -0.36 -4.93 113.70 108.04 3b9k s SER 76 Ca 0.22 -0.62 0.04 0.00 1.31 0.00 0.00 55.95 56.91 3b9k s SER 76 Cb -0.03 -0.02 -0.01 0.00 0.21 0.00 0.00 66.02 66.17 3b9k s SER 76 CO 0.09 -0.13 -0.15 0.00 0.41 0.00 0.00 173.24 173.47 3b9k s ALA 77 N -1.42 1.25 0.08 1.44 0.00 -1.26 -1.56 121.76 120.29 3b9k s ALA 77 Ca -0.03 -0.61 -0.13 0.00 0.00 0.00 0.00 51.96 51.19 3b9k s ALA 77 Cb -0.09 -0.36 0.02 0.00 0.00 0.00 0.00 23.12 22.68 3b9k s ALA 77 CO 0.02 0.27 0.29 0.00 0.00 0.00 0.00 175.76 176.34 3b9k s MET 78 N -0.18 0.89 -0.11 0.00 0.23 -0.99 -5.01 119.30 114.14 3b9k s MET 78 Ca 0.02 -0.72 0.04 0.00 -1.03 0.00 0.00 55.69 54.00 3b9k s MET 78 Cb -0.07 0.38 0.00 0.00 -1.53 0.00 0.00 34.83 33.61 3b9k s MET 78 CO 0.00 -0.31 -0.23 0.50 -2.03 0.00 0.00 175.02 172.96 3b9k s ARG 79 N -3.35 2.97 -0.21 3.16 3.52 -1.26 -0.72 118.95 123.07 3b9k s ARG 79 Ca 0.01 -0.85 -0.03 0.00 -0.13 0.00 0.00 55.73 54.73 3b9k s ARG 79 Cb 0.02 -2.28 -0.00 0.00 -1.56 0.00 0.00 34.95 31.13 3b9k s ARG 79 CO -0.08 0.13 -0.07 0.34 -0.81 0.00 0.00 175.30 174.81 3b9k s ASP 80 N 0.45 4.09 -1.51 -2.12 2.15 0.80 -4.70 116.67 115.83 3b9k s ASP 80 Ca -0.16 -0.43 -0.05 0.00 0.43 0.00 0.00 52.55 52.34 3b9k s ASP 80 Cb -0.17 -1.69 0.04 0.00 -0.30 0.00 0.00 42.92 40.80 3b9k s ASP 80 CO 0.07 -0.01 0.43 0.35 -0.17 0.00 0.00 175.17 175.84 3b9k n THR 81 N 4.72 -2.21 -0.54 1.71 -2.24 -1.26 -2.01 114.28 112.45 3b9k n THR 81 Ca -0.19 -0.38 0.00 0.00 -2.27 0.00 0.00 64.05 61.21 3b9k n THR 81 Cb 0.51 -2.13 0.00 0.00 -2.10 0.00 0.00 70.33 66.61 3b9k n THR 81 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 3b9k n ASN 82 N -2.89 -0.04 0.00 3.42 3.02 -1.26 -4.43 115.26 113.08 3b9k n ASN 82 Ca -0.22 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.33 3b9k n ASN 82 Cb 0.64 -2.33 0.00 0.00 -0.61 0.00 0.00 39.78 37.48 3b9k n ASN 82 CO 0.00 0.00 0.00 -0.46 -2.62 0.00 0.00 177.26 174.18 3b9k n ASN 83 N -0.01 0.00 -4.25 6.41 6.94 -1.17 -4.80 115.26 118.38 3b9k n ASN 83 Ca 0.00 -1.00 -0.34 0.00 -0.02 0.00 0.00 54.58 53.22 3b9k n ASN 83 Cb 0.00 0.00 -0.15 0.00 -2.36 0.00 0.00 39.78 37.28 3b9k n ASN 83 CO 0.00 0.00 0.00 -0.54 -1.03 0.00 0.00 177.26 175.69 3b9k s LYS 84 N 0.00 3.24 -0.22 -3.83 -0.14 -0.85 -0.98 119.74 116.96 3b9k s LYS 84 Ca 0.00 -0.70 -0.04 0.00 -1.36 0.00 0.00 55.97 53.88 3b9k s LYS 84 Cb 0.00 -2.85 -0.00 0.00 -1.68 0.00 0.00 37.83 33.29 3b9k s LYS 84 CO 0.00 -0.19 -0.04 0.71 -0.76 0.00 0.00 175.35 175.06 3b9k s TYR 85 N 1.39 2.97 -0.30 3.18 1.51 0.22 -0.14 117.35 126.19 3b9k s TYR 85 Ca 0.05 -1.00 -0.09 0.00 -1.01 0.00 0.00 57.07 55.03 3b9k s TYR 85 Cb -0.14 -2.10 -0.01 0.00 -0.11 0.00 0.00 41.96 39.60 3b9k s TYR 85 CO -0.06 -0.57 0.13 0.08 -1.11 0.00 0.00 175.55 174.01 3b9k s VAL 86 N 1.46 4.45 -0.23 0.71 1.01 0.10 -0.64 120.40 127.28 3b9k s VAL 86 Ca 0.05 -0.41 -0.10 0.00 0.00 0.00 0.00 61.98 61.52 3b9k s VAL 86 Cb -0.14 -3.24 -0.05 0.00 0.00 0.00 0.00 36.38 32.95 3b9k s VAL 86 CO -0.03 0.12 0.14 -0.22 0.00 0.00 0.00 175.10 175.10 3b9k s LEU 87 N 1.60 4.02 -0.16 3.92 2.96 0.19 -2.35 118.68 128.86 3b9k s LEU 87 Ca 0.05 0.09 0.02 0.00 -0.22 0.00 0.00 54.13 54.06 3b9k s LEU 87 Cb -0.17 -2.07 0.01 0.00 0.50 0.00 0.00 46.19 44.47 3b9k s LEU 87 CO 0.05 0.08 -0.21 -0.89 -1.32 0.00 0.00 176.35 174.06 3b9k s THR 88 N 0.96 2.03 -0.38 3.68 2.01 -0.60 -0.21 115.64 123.13 3b9k s THR 88 Ca 0.07 -0.95 -0.25 0.00 0.31 0.00 0.00 61.69 60.87 3b9k s THR 88 Cb -0.13 -1.82 0.02 0.00 0.01 0.00 0.00 72.50 70.57 3b9k s THR 88 CO 0.03 0.54 0.91 -0.76 -0.69 0.00 0.00 174.62 174.65 3b9k s LEU 89 N 1.04 4.01 -0.01 4.42 1.02 -0.55 -1.23 118.68 127.38 3b9k s LEU 89 Ca -0.01 0.51 -0.08 0.00 0.02 0.00 0.00 54.13 54.56 3b9k s LEU 89 Cb -0.14 -3.23 -0.05 0.00 0.02 0.00 0.00 46.19 42.79 3b9k s LEU 89 CO -0.07 -0.86 0.60 0.78 0.02 0.00 0.00 176.35 176.82 3b9k h ASN 90 N 8.53 -0.26 -3.63 2.29 2.35 -1.76 -0.05 115.58 123.04 3b9k h ASN 90 Ca -0.23 0.01 -0.69 0.00 -0.55 0.00 0.00 56.30 54.83 3b9k h ASN 90 Cb 1.08 0.07 -0.32 0.00 0.05 0.00 0.00 38.32 39.20 3b9k h ASN 90 CO 0.98 -0.06 -0.61 -0.75 -1.65 0.00 0.00 177.43 175.34 3b9k s LYS 91 N -2.75 2.39 0.00 0.81 2.20 -1.26 -3.18 119.74 117.95 3b9k s LYS 91 Ca -0.04 -1.41 -0.30 0.00 -0.36 0.00 0.00 55.97 53.85 3b9k s LYS 91 Cb 0.00 -3.43 -0.07 0.00 -1.51 0.00 0.00 37.83 32.83 3b9k s LYS 91 CO 0.13 -0.79 1.62 0.12 -0.36 0.00 0.00 175.35 176.08 3b9k s PHE 92 N 1.28 2.26 0.23 4.03 5.36 -1.08 -4.82 117.98 125.24 3b9k s PHE 92 Ca 0.00 0.32 -0.01 0.00 -0.96 0.00 0.00 56.93 56.29 3b9k s PHE 92 Cb -0.21 -3.90 -0.03 0.00 -0.34 0.00 0.00 43.02 38.54 3b9k s PHE 92 CO -0.00 -3.68 0.20 -1.54 -1.46 0.00 0.00 175.22 168.73 3b9k s SER 93 N 2.80 0.42 0.19 6.13 1.04 -1.26 -0.30 113.70 122.72 3b9k s SER 93 Ca 0.72 -1.42 -0.19 0.00 0.48 0.00 0.00 55.95 55.54 3b9k s SER 93 Cb -0.36 0.44 0.14 0.00 0.10 0.00 0.00 66.02 66.34 3b9k s SER 93 CO 0.30 -0.92 1.60 0.50 0.98 0.00 0.00 173.24 175.70 3b9k h LYS 94 N 2.49 -0.13 -0.82 4.02 1.63 -1.98 -1.38 116.57 120.39 3b9k h LYS 94 Ca -0.33 0.01 0.13 0.00 -0.85 0.00 0.00 60.65 59.61 3b9k h LYS 94 Cb 1.25 0.03 -0.14 0.00 -0.60 0.00 0.00 32.23 32.77 3b9k h LYS 94 CO 0.48 -0.09 -0.37 0.93 -3.45 0.00 0.00 179.45 176.95 3b9k h GLU 95 N -0.14 -0.07 0.00 1.90 3.07 -1.97 -2.05 114.58 115.33 3b9k h GLU 95 Ca 0.24 0.00 -0.05 0.00 -0.50 0.00 0.00 59.36 59.05 3b9k h GLU 95 Cb 0.53 0.02 -0.01 0.00 -0.84 0.00 0.00 28.75 28.45 3b9k h GLU 95 CO -0.64 -0.05 -0.24 -0.91 -1.40 0.00 0.00 179.01 175.77 3b9k h ASN 96 N -0.07 0.00 -2.56 1.42 2.35 -1.60 -3.45 115.58 111.66 3b9k h ASN 96 Ca 0.29 0.00 -0.53 0.00 -0.55 0.00 0.00 56.30 55.52 3b9k h ASN 96 Cb 0.58 0.00 0.05 0.00 0.05 0.00 0.00 38.32 39.00 3b9k h ASN 96 CO -0.86 0.24 1.04 1.21 -1.65 0.00 0.00 177.43 177.42 3b9k n GLU 97 N -4.09 2.74 0.00 0.81 2.13 -0.77 -4.82 120.64 116.64 3b9k n GLU 97 Ca -0.02 0.99 0.00 0.00 0.66 0.00 0.00 57.16 58.79 3b9k n GLU 97 Cb 0.31 -2.85 0.00 0.00 0.27 0.00 0.00 31.44 29.17 3b9k n GLU 97 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 3b9k n GLY 98 N 4.04 -0.59 3.05 8.31 0.00 -0.77 -3.84 105.19 115.39 3b9k n GLY 98 Ca 0.17 -0.48 -0.31 0.00 0.00 0.00 0.00 46.02 45.39 3b9k n GLY 98 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3b9k s TYR 99 N -4.00 2.52 0.03 1.61 1.51 0.00 0.25 117.35 119.27 3b9k s TYR 99 Ca 0.00 -1.53 0.01 0.00 -1.01 0.00 0.00 57.07 54.54 3b9k s TYR 99 Cb 0.00 -1.75 -0.04 0.00 -0.11 0.00 0.00 41.96 40.07 3b9k s TYR 99 CO 0.00 -0.75 0.06 0.71 -1.11 0.00 0.00 175.55 174.46 3b9k s TYR 100 N 1.37 3.19 0.04 2.71 1.51 0.10 -0.30 117.35 125.97 3b9k s TYR 100 Ca 0.03 0.12 -0.27 0.00 -1.01 0.00 0.00 57.07 55.94 3b9k s TYR 100 Cb -0.14 -1.67 0.09 0.00 -0.11 0.00 0.00 41.96 40.12 3b9k s TYR 100 CO -0.11 0.52 0.76 -0.59 -1.11 0.00 0.00 175.55 175.02 3b9k s PHE 101 N -1.23 -0.46 0.31 2.71 -0.71 -0.63 0.06 117.98 118.02 3b9k s PHE 101 Ca 0.24 0.42 0.10 0.00 -1.04 0.00 0.00 56.93 56.65 3b9k s PHE 101 Cb -0.12 0.52 -0.05 0.00 -1.21 0.00 0.00 43.02 42.16 3b9k s PHE 101 CO 0.16 -0.65 -0.07 0.00 -1.34 0.00 0.00 175.22 173.32 3b9k s SER 103 N -3.63 0.23 0.12 0.00 0.15 -0.41 -1.07 113.70 109.09 3b9k s SER 103 Ca 0.32 -0.54 0.06 0.00 0.70 0.00 0.00 55.95 56.49 3b9k s SER 103 Cb -0.03 0.16 -0.04 0.00 -1.71 0.00 0.00 66.02 64.40 3b9k s SER 103 CO 0.18 -0.40 -0.13 -0.69 1.20 0.00 0.00 173.24 173.39 3b9k s VAL 104 N -2.08 1.28 -0.05 4.45 1.01 -0.87 -0.96 120.40 123.18 3b9k s VAL 104 Ca -0.10 -1.74 0.06 0.00 0.00 0.00 0.00 61.98 60.20 3b9k s VAL 104 Cb -0.05 -1.54 -0.02 0.00 0.00 0.00 0.00 36.38 34.77 3b9k s VAL 104 CO -0.03 -0.46 -0.23 -0.63 0.00 0.00 0.00 175.10 173.75 3b9k s ILE 105 N -2.28 2.29 -0.21 2.22 1.01 -1.26 -1.09 121.20 121.88 3b9k s ILE 105 Ca 0.09 -1.00 -0.12 0.00 0.00 0.00 0.00 60.65 59.62 3b9k s ILE 105 Cb -0.04 -1.84 0.07 0.00 0.01 0.00 0.00 42.46 40.66 3b9k s ILE 105 CO 0.03 0.58 0.52 -0.55 0.00 0.00 0.00 174.94 175.51 3b9k s SER 106 N -0.40 -0.68 -1.54 3.58 0.15 -0.48 -4.53 113.70 109.80 3b9k s SER 106 Ca 0.04 1.13 -0.06 0.00 0.70 0.00 0.00 55.95 57.76 3b9k s SER 106 Cb -0.12 1.01 0.05 0.00 -1.71 0.00 0.00 66.02 65.26 3b9k s SER 106 CO 0.01 -0.21 0.42 0.59 1.20 0.00 0.00 173.24 175.26 3b9k n ASN 107 N 4.20 -0.85 -1.19 5.45 3.02 -1.26 -1.67 115.26 122.97 3b9k n ASN 107 Ca -0.22 -1.09 -0.15 0.00 -0.03 0.00 0.00 54.58 53.09 3b9k n ASN 107 Cb 0.57 -2.55 -0.07 0.00 -0.61 0.00 0.00 39.78 37.12 3b9k n ASN 107 CO 0.00 0.00 0.00 -1.20 -2.62 0.00 0.00 177.26 173.44 3b9k n SER 108 N -2.85 -4.92 -4.29 6.41 7.64 -1.26 -4.99 113.62 109.37 3b9k n SER 108 Ca -0.19 0.38 -0.31 0.00 1.01 0.00 0.00 58.87 59.76 3b9k n SER 108 Cb 0.63 -3.78 -0.16 0.00 -1.01 0.00 0.00 64.21 59.88 3b9k n SER 108 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 3b9k s VAL 109 N -2.56 2.11 -0.28 0.44 1.01 -0.67 -5.11 120.40 115.33 3b9k s VAL 109 Ca 0.00 -1.06 -0.11 0.00 0.00 0.00 0.00 61.98 60.81 3b9k s VAL 109 Cb 0.00 -1.75 -0.04 0.00 0.00 0.00 0.00 36.38 34.58 3b9k s VAL 109 CO 0.00 0.57 0.18 -0.04 0.00 0.00 0.00 175.10 175.81 3b9k s MET 110 N -0.28 3.86 0.16 2.72 -1.94 -1.26 -1.38 119.30 121.18 3b9k s MET 110 Ca 0.00 -0.38 0.05 0.00 -1.71 0.00 0.00 55.69 53.65 3b9k s MET 110 Cb -0.13 -3.63 -0.04 0.00 2.01 0.00 0.00 34.83 33.04 3b9k s MET 110 CO 0.02 -0.21 0.14 0.71 -0.01 0.00 0.00 175.02 175.67 3b9k s TYR 111 N 1.74 3.16 0.09 -0.03 1.51 -0.25 -4.99 117.35 118.58 3b9k s TYR 111 Ca 0.07 -0.01 0.03 0.00 -1.01 0.00 0.00 57.07 56.15 3b9k s TYR 111 Cb -0.16 -1.52 -0.04 0.00 -0.11 0.00 0.00 41.96 40.14 3b9k s TYR 111 CO 0.10 0.52 -0.10 -0.06 -1.11 0.00 0.00 175.55 174.90 3b9k s PHE 112 N -1.75 1.02 0.33 2.71 0.08 -1.26 -2.05 117.98 117.05 3b9k s PHE 112 Ca 0.31 -0.66 -0.03 0.00 0.12 0.00 0.00 56.93 56.67 3b9k s PHE 112 Cb -0.10 -0.56 -0.04 0.00 -0.57 0.00 0.00 43.02 41.74 3b9k s PHE 112 CO 0.24 -0.02 0.57 -1.54 -0.10 0.00 0.00 175.22 174.37 3b9k s SER 113 N -2.43 6.36 0.48 1.36 1.04 -0.24 -4.46 113.70 115.82 3b9k s SER 113 Ca 0.05 0.62 -0.21 0.00 0.48 0.00 0.00 55.95 56.89 3b9k s SER 113 Cb -0.03 -2.10 -0.11 0.00 0.10 0.00 0.00 66.02 63.88 3b9k s SER 113 CO -0.00 -0.27 0.54 -1.20 0.98 0.00 0.00 173.24 173.29 3b9k n SER 114 N -1.41 -0.91 -4.79 7.02 7.64 -1.26 -4.66 113.62 115.24 3b9k n SER 114 Ca -0.03 0.84 -0.38 0.00 1.01 0.00 0.00 58.87 60.31 3b9k n SER 114 Cb 0.55 -1.14 -0.06 0.00 -1.01 0.00 0.00 64.21 62.55 3b9k n SER 114 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 3b9k s VAL 115 N -1.58 4.50 -0.26 0.44 1.01 -1.26 -4.69 120.40 118.56 3b9k s VAL 115 Ca 0.65 1.49 0.02 0.00 0.00 0.00 0.00 61.98 64.14 3b9k s VAL 115 Cb -0.53 -4.01 0.06 0.00 0.00 0.00 0.00 36.38 31.90 3b9k s VAL 115 CO 0.57 0.44 -0.08 -0.69 0.00 0.00 0.00 175.10 175.34 3b9k s VAL 116 N -1.25 1.91 0.11 2.92 1.01 0.11 -4.92 120.40 120.29 3b9k s VAL 116 Ca 0.37 -1.51 -0.30 0.00 0.00 0.00 0.00 61.98 60.53 3b9k s VAL 116 Cb -0.20 -2.11 -0.07 0.00 0.00 0.00 0.00 36.38 34.00 3b9k s VAL 116 CO 0.23 -0.10 1.22 -2.84 0.00 0.00 0.00 175.10 173.62 3b9k s PRO 117 N 1.21 4.44 -0.59 2.72 0.02 -1.26 -0.72 135.00 140.82 3b9k s PRO 117 Ca -0.06 1.85 0.04 0.00 0.02 0.00 0.00 61.00 62.85 3b9k s PRO 117 Cb -0.19 -3.29 0.16 0.00 0.02 0.00 0.00 34.50 31.19 3b9k s PRO 117 CO -0.06 -0.22 0.39 0.08 -0.33 0.00 0.00 177.00 176.87 3b9k s VAL 118 N 0.66 2.21 -0.17 3.83 1.01 0.14 -1.24 120.40 126.84 3b9k s VAL 118 Ca 0.57 -3.61 -0.03 0.00 0.00 0.00 0.00 61.98 58.92 3b9k s VAL 118 Cb -0.32 -2.48 -0.02 0.00 0.00 0.00 0.00 36.38 33.57 3b9k s VAL 118 CO 0.32 -0.99 -0.06 -0.76 0.00 0.00 0.00 175.10 173.60 3b9k s LEU 119 N -0.76 3.00 0.48 3.92 1.43 -0.57 -1.85 118.68 124.34 3b9k s LEU 119 Ca 0.24 -0.26 -0.20 0.00 -1.03 0.00 0.00 54.13 52.87 3b9k s LEU 119 Cb -0.10 -1.73 -0.12 0.00 0.03 0.00 0.00 46.19 44.27 3b9k s LEU 119 CO -0.12 0.11 0.32 1.67 0.23 0.00 0.00 176.35 178.56 3b9k n GLN 120 N 3.94 0.34 0.00 1.70 7.27 -1.26 -2.52 117.38 126.85 3b9k n GLN 120 Ca -0.18 0.13 0.15 0.00 0.07 0.00 0.00 57.00 57.17 3b9k n GLN 120 Cb 0.52 -1.37 0.74 0.00 2.41 0.00 0.00 30.24 32.54 3b9k n GLN 120 CO 0.00 0.00 0.00 1.17 0.07 0.00 0.00 177.06 178.30