#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3b9k s ILE 2 N 0.00 4.73 -0.11 -0.08 1.01 -1.26 -2.36 121.20 123.14 3b9k s ILE 2 Ca 0.00 1.94 -0.08 0.00 0.00 0.00 0.00 60.65 62.51 3b9k s ILE 2 Cb 0.00 -4.27 -0.04 0.00 0.01 0.00 0.00 42.46 38.16 3b9k s ILE 2 CO 0.00 -0.12 0.17 -1.58 0.00 0.00 0.00 174.94 173.41 3b9k s GLN 3 N 2.88 3.49 0.02 2.79 0.74 -1.26 -1.19 119.66 127.13 3b9k s GLN 3 Ca 0.43 -0.07 0.01 0.00 0.05 0.00 0.00 55.36 55.78 3b9k s GLN 3 Cb -0.16 -3.19 -0.01 0.00 1.10 0.00 0.00 33.01 30.75 3b9k s GLN 3 CO 0.09 0.77 -0.05 0.95 -0.55 0.00 0.00 175.29 176.49 3b9k s THR 4 N -1.04 0.36 0.45 -0.34 -4.23 0.84 -4.29 115.64 107.39 3b9k s THR 4 Ca 0.16 -0.57 -0.08 0.00 -1.18 0.00 0.00 61.69 60.01 3b9k s THR 4 Cb -0.13 -0.38 -0.05 0.00 1.34 0.00 0.00 72.50 73.29 3b9k s THR 4 CO 0.05 -0.15 0.79 -2.16 -0.54 0.00 0.00 174.62 172.61 3b9k s PRO 5 N -0.78 3.67 0.32 3.99 0.05 -1.26 -0.64 135.00 140.34 3b9k s PRO 5 Ca -0.05 0.37 0.01 0.00 0.05 0.00 0.00 61.00 61.39 3b9k s PRO 5 Cb -0.05 -2.37 0.52 0.00 0.05 0.00 0.00 34.50 32.65 3b9k s PRO 5 CO -0.00 -0.14 1.90 0.66 0.05 0.00 0.00 177.00 179.47 3b9k h SER 6 N 0.73 0.70 -4.43 6.66 4.64 -1.75 -3.39 113.55 116.72 3b9k h SER 6 Ca -0.47 -0.09 -0.33 0.00 -0.47 0.00 0.00 61.79 60.44 3b9k h SER 6 Cb 1.19 -0.18 -0.24 0.00 -0.31 0.00 0.00 62.40 62.87 3b9k h SER 6 CO 0.63 0.64 -0.75 -0.44 -0.87 0.00 0.00 176.83 176.03 3b9k s SER 7 N -6.58 0.98 -0.04 4.97 0.01 -1.26 0.12 113.70 111.91 3b9k s SER 7 Ca -0.09 -0.41 -0.01 0.00 1.31 0.00 0.00 55.95 56.75 3b9k s SER 7 Cb 0.16 -0.02 0.03 0.00 0.21 0.00 0.00 66.02 66.40 3b9k s SER 7 CO 0.78 -0.08 0.07 -0.22 0.41 0.00 0.00 173.24 174.20 3b9k s LEU 8 N -1.10 0.86 -0.25 2.44 2.96 -0.59 -4.88 118.68 118.13 3b9k s LEU 8 Ca -0.04 0.12 -0.04 0.00 -0.22 0.00 0.00 54.13 53.95 3b9k s LEU 8 Cb -0.07 0.05 0.01 0.00 0.50 0.00 0.00 46.19 46.67 3b9k s LEU 8 CO 0.00 -0.15 -0.02 -0.22 -1.32 0.00 0.00 176.35 174.65 3b9k s LEU 9 N 1.24 3.21 0.12 -0.68 2.96 -1.26 -1.06 118.68 123.21 3b9k s LEU 9 Ca -0.07 -0.62 0.05 0.00 -0.22 0.00 0.00 54.13 53.26 3b9k s LEU 9 Cb -0.13 -1.75 -0.04 0.00 0.50 0.00 0.00 46.19 44.78 3b9k s LEU 9 CO -0.04 -0.10 -0.11 -0.69 -1.32 0.00 0.00 176.35 174.09 3b9k s VAL 10 N 1.43 1.13 -0.07 1.68 1.01 -0.55 -5.00 120.40 120.02 3b9k s VAL 10 Ca 0.03 -1.79 -0.14 0.00 0.00 0.00 0.00 61.98 60.09 3b9k s VAL 10 Cb -0.16 -1.55 -0.05 0.00 0.00 0.00 0.00 36.38 34.62 3b9k s VAL 10 CO -0.02 -0.57 0.35 -1.58 0.00 0.00 0.00 175.10 173.27 3b9k s GLN 11 N -3.03 3.98 0.18 2.72 0.74 -1.26 -1.00 119.66 121.99 3b9k s GLN 11 Ca 0.10 0.25 -0.29 0.00 0.05 0.00 0.00 55.36 55.47 3b9k s GLN 11 Cb -0.02 -3.29 -0.17 0.00 1.10 0.00 0.00 33.01 30.63 3b9k s GLN 11 CO 0.01 0.53 0.63 2.41 -0.55 0.00 0.00 175.29 178.32 3b9k n THR 12 N 2.50 1.75 -0.99 -0.34 -1.04 -0.19 -1.62 114.28 114.36 3b9k n THR 12 Ca -0.14 -0.44 0.00 0.00 -2.04 0.00 0.00 64.05 61.44 3b9k n THR 12 Cb 0.53 -0.09 0.00 0.00 -1.82 0.00 0.00 70.33 68.95 3b9k n THR 12 CO 0.00 0.00 0.00 -3.20 -0.64 0.00 0.00 175.07 171.23 3b9k n ASN 13 N 1.89 -3.61 -4.50 8.00 5.15 -0.57 -4.96 115.26 116.67 3b9k n ASN 13 Ca 0.18 0.00 -0.27 0.00 -0.60 0.00 0.00 54.58 53.88 3b9k n ASN 13 Cb 0.24 -1.35 -0.11 0.00 -0.53 0.00 0.00 39.78 38.03 3b9k n ASN 13 CO 0.00 0.00 0.00 -1.00 1.40 0.00 0.00 177.26 177.66 3b9k s HIS 14 N -1.81 2.49 0.28 1.20 3.76 -0.64 -4.73 115.29 115.84 3b9k s HIS 14 Ca 0.00 -0.28 -0.29 0.00 -0.15 0.00 0.00 55.06 54.33 3b9k s HIS 14 Cb 0.00 -1.24 -0.09 0.00 1.11 0.00 0.00 32.58 32.36 3b9k s HIS 14 CO 0.00 0.49 1.07 0.95 -0.85 0.00 0.00 174.74 176.40 3b9k s THR 15 N -1.61 3.60 -0.16 1.30 -4.23 -1.24 -3.91 115.64 109.38 3b9k s THR 15 Ca 0.22 1.59 -0.04 0.00 -1.18 0.00 0.00 61.69 62.27 3b9k s THR 15 Cb -0.09 -4.00 -0.03 0.00 1.34 0.00 0.00 72.50 69.73 3b9k s THR 15 CO 0.12 0.36 -0.02 0.00 -0.54 0.00 0.00 174.62 174.54 3b9k s ALA 16 N -1.20 3.07 -0.02 3.99 0.00 -0.14 -4.96 121.76 122.50 3b9k s ALA 16 Ca 0.45 -0.82 0.05 0.00 0.00 0.00 0.00 51.96 51.64 3b9k s ALA 16 Cb -0.30 -1.63 -0.01 0.00 0.00 0.00 0.00 23.12 21.17 3b9k s ALA 16 CO 0.39 0.18 -0.18 0.15 0.00 0.00 0.00 175.76 176.29 3b9k s LYS 17 N 0.41 1.59 0.07 0.00 1.02 -1.26 -1.28 119.74 120.29 3b9k s LYS 17 Ca -0.03 -0.66 -0.06 0.00 0.02 0.00 0.00 55.97 55.25 3b9k s LYS 17 Cb -0.14 -1.50 -0.02 0.00 -0.52 0.00 0.00 37.83 35.66 3b9k s LYS 17 CO 0.02 0.37 0.10 0.00 -0.92 0.00 0.00 175.35 174.92 3b9k s MET 18 N -0.33 0.75 0.16 1.68 0.23 -0.76 -4.59 119.30 116.44 3b9k s MET 18 Ca 0.05 -1.06 -0.10 0.00 -1.03 0.00 0.00 55.69 53.54 3b9k s MET 18 Cb -0.08 0.29 -0.00 0.00 -1.53 0.00 0.00 34.83 33.50 3b9k s MET 18 CO 0.00 -0.20 0.31 -1.54 -2.03 0.00 0.00 175.02 171.56 3b9k s SER 19 N -2.88 0.01 0.08 -1.18 1.04 0.18 -1.03 113.70 109.93 3b9k s SER 19 Ca 0.06 -0.82 0.08 0.00 0.48 0.00 0.00 55.95 55.75 3b9k s SER 19 Cb 0.06 0.45 -0.04 0.00 0.10 0.00 0.00 66.02 66.59 3b9k s SER 19 CO -0.11 -0.90 -0.19 0.00 0.98 0.00 0.00 173.24 173.02 3b9k s GLU 21 N -1.75 4.00 -0.28 0.00 2.12 -0.33 -3.17 118.70 119.28 3b9k s GLU 21 Ca 0.16 -0.31 -0.13 0.00 0.36 0.00 0.00 54.97 55.04 3b9k s GLU 21 Cb -0.10 -3.41 -0.04 0.00 0.26 0.00 0.00 34.13 30.84 3b9k s GLU 21 CO 0.07 0.11 0.29 0.08 -0.54 0.00 0.00 175.26 175.27 3b9k s VAL 22 N 0.87 5.24 -0.08 3.70 1.01 0.81 -2.90 120.40 129.04 3b9k s VAL 22 Ca 0.06 0.36 0.20 0.00 0.00 0.00 0.00 61.98 62.60 3b9k s VAL 22 Cb -0.13 -3.63 -0.30 0.00 0.00 0.00 0.00 36.38 32.32 3b9k s VAL 22 CO 0.03 0.19 0.34 0.29 0.00 0.00 0.00 175.10 175.94 3b9k n LYS 23 N 5.21 0.69 -1.59 2.72 4.76 -1.26 -4.88 118.16 123.80 3b9k n LYS 23 Ca -0.11 -0.13 -0.49 0.00 -2.87 0.00 0.00 58.31 54.70 3b9k n LYS 23 Cb 0.51 -1.51 -0.05 0.00 -1.84 0.00 0.00 35.03 32.15 3b9k n LYS 23 CO 0.00 0.00 0.00 0.45 -1.37 0.00 0.00 177.40 176.48 3b9k n SER 24 N -2.40 1.50 0.06 4.39 2.88 -1.26 -4.91 113.62 113.87 3b9k n SER 24 Ca -0.13 1.13 -0.11 0.00 -1.33 0.00 0.00 58.87 58.43 3b9k n SER 24 Cb 0.75 -1.22 -0.00 0.00 -0.75 0.00 0.00 64.21 62.99 3b9k n SER 24 CO 0.00 0.00 0.00 0.40 -1.23 0.00 0.00 175.04 174.21 3b9k h ILE 25 N 2.87 1.39 -3.18 2.46 2.04 -2.06 -3.43 117.51 117.60 3b9k h ILE 25 Ca -0.45 -2.26 -0.54 0.00 1.00 0.00 0.00 64.86 62.62 3b9k h ILE 25 Cb 1.34 2.22 -0.00 0.00 -0.74 0.00 0.00 36.82 39.64 3b9k h ILE 25 CO 0.73 0.68 0.58 -0.44 0.00 0.00 0.00 178.15 179.69 3b9k s SER 26 N -7.01 7.08 0.28 1.72 0.01 -1.26 -5.00 113.70 109.52 3b9k s SER 26 Ca -0.06 1.98 -0.29 0.00 1.31 0.00 0.00 55.95 58.89 3b9k s SER 26 Cb 0.10 -2.58 -0.14 0.00 0.21 0.00 0.00 66.02 63.62 3b9k s SER 26 CO 0.85 -0.48 1.14 1.17 0.41 0.00 0.00 173.24 176.33 3b9k n LYS 27 N 4.13 1.59 -2.15 12.44 4.81 -1.26 -4.92 118.16 132.79 3b9k n LYS 27 Ca 0.09 0.56 -0.37 0.00 -0.87 0.00 0.00 58.31 57.72 3b9k n LYS 27 Cb 0.46 -2.03 0.00 0.00 0.02 0.00 0.00 35.03 33.49 3b9k n LYS 27 CO 0.00 0.00 0.00 -0.51 1.17 0.00 0.00 177.40 178.06 3b9k s LEU 28 N 0.10 3.92 0.01 3.14 1.43 -1.26 -4.93 118.68 121.09 3b9k s LEU 28 Ca 0.61 2.38 0.18 0.00 -1.03 0.00 0.00 54.13 56.27 3b9k s LEU 28 Cb -0.68 -4.33 -0.18 0.00 0.03 0.00 0.00 46.19 41.03 3b9k s LEU 28 CO 0.58 -1.13 0.65 0.35 0.23 0.00 0.00 176.35 177.03 3b9k n THR 29 N -0.79 1.00 -3.90 5.49 -2.24 -1.26 -4.95 114.28 107.63 3b9k n THR 29 Ca 0.09 -0.68 -0.09 0.00 -2.27 0.00 0.00 64.05 61.10 3b9k n THR 29 Cb 0.48 -0.55 -0.08 0.00 -2.10 0.00 0.00 70.33 68.08 3b9k n THR 29 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 3b9k s SER 30 N -5.50 0.16 -0.10 3.42 1.04 -1.26 0.15 113.70 111.60 3b9k s SER 30 Ca -0.05 -0.72 -0.12 0.00 0.48 0.00 0.00 55.95 55.54 3b9k s SER 30 Cb 0.09 0.33 0.03 0.00 0.10 0.00 0.00 66.02 66.57 3b9k s SER 30 CO 0.83 -0.73 0.32 -0.51 0.98 0.00 0.00 173.24 174.13 3b9k s ILE 31 N -3.88 0.01 0.12 -1.02 1.10 0.29 -4.72 121.20 113.10 3b9k s ILE 31 Ca 0.07 -0.09 0.10 0.00 -0.51 0.00 0.00 60.65 60.22 3b9k s ILE 31 Cb 0.05 -0.49 -0.04 0.00 0.15 0.00 0.00 42.46 42.14 3b9k s ILE 31 CO -0.10 -0.05 -0.24 -0.31 -2.11 0.00 0.00 174.94 172.14 3b9k s TYR 32 N -0.09 2.40 -0.06 3.50 1.51 0.40 -1.24 117.35 123.77 3b9k s TYR 32 Ca -0.02 -0.34 0.03 0.00 -1.01 0.00 0.00 57.07 55.73 3b9k s TYR 32 Cb -0.03 -1.30 0.01 0.00 -0.11 0.00 0.00 41.96 40.53 3b9k s TYR 32 CO 0.01 0.34 -0.14 -1.58 -1.11 0.00 0.00 175.55 173.07 3b9k s TRP 33 N -1.07 1.60 0.06 2.71 0.52 -0.32 0.25 118.94 122.69 3b9k s TRP 33 Ca 0.15 -0.55 0.04 0.00 0.02 0.00 0.00 56.10 55.76 3b9k s TRP 33 Cb -0.10 -1.13 -0.03 0.00 -1.15 0.00 0.00 33.47 31.06 3b9k s TRP 33 CO 0.07 -0.25 -0.12 -0.51 0.02 0.00 0.00 176.95 176.16 3b9k s LEU 34 N 0.43 2.27 -0.04 2.99 1.43 0.16 -1.69 118.68 124.23 3b9k s LEU 34 Ca -0.11 -0.59 0.03 0.00 -1.03 0.00 0.00 54.13 52.42 3b9k s LEU 34 Cb -0.14 -0.42 -0.03 0.00 0.03 0.00 0.00 46.19 45.63 3b9k s LEU 34 CO 0.04 -0.11 -0.12 -0.60 0.23 0.00 0.00 176.35 175.79 3b9k s ARG 35 N -1.68 2.53 -0.50 1.70 3.52 -0.85 -0.87 118.95 122.80 3b9k s ARG 35 Ca -0.04 -0.69 -0.10 0.00 -0.13 0.00 0.00 55.73 54.78 3b9k s ARG 35 Cb -0.10 -2.42 0.13 0.00 -1.56 0.00 0.00 34.95 31.00 3b9k s ARG 35 CO 0.02 0.63 0.39 -2.00 -0.81 0.00 0.00 175.30 173.52 3b9k s GLU 36 N -0.86 2.59 0.29 5.12 2.12 -0.88 -1.27 118.70 125.81 3b9k s GLU 36 Ca 0.12 -1.83 -0.29 0.00 0.36 0.00 0.00 54.97 53.33 3b9k s GLU 36 Cb -0.11 -3.99 -0.10 0.00 0.26 0.00 0.00 34.13 30.20 3b9k s GLU 36 CO 0.02 -1.22 1.39 1.03 -0.54 0.00 0.00 175.26 175.94 3b9k s ARG 37 N 1.27 4.29 -0.00 4.30 1.81 -0.24 -4.11 118.95 126.26 3b9k s ARG 37 Ca 0.07 2.29 0.07 0.00 -1.72 0.00 0.00 55.73 56.43 3b9k s ARG 37 Cb -0.26 -3.08 -0.09 0.00 -0.45 0.00 0.00 34.95 31.07 3b9k s ARG 37 CO -0.01 -0.33 0.24 0.94 -0.68 0.00 0.00 175.30 175.46 3b9k n GLN 38 N 1.54 2.86 -0.00 3.54 -0.06 -1.26 -2.53 117.38 121.47 3b9k n GLN 38 Ca 0.03 -0.03 -0.12 0.00 -2.00 0.00 0.00 57.00 54.88 3b9k n GLN 38 Cb 0.41 -0.97 -0.06 0.00 -4.06 0.00 0.00 30.24 25.56 3b9k n GLN 38 CO 0.00 0.00 0.00 0.38 -0.20 0.00 0.00 177.06 177.24 3b9k h ASP 39 N 0.00 -1.32 -4.27 1.69 2.03 -1.92 -3.40 116.42 109.23 3b9k h ASP 39 Ca 0.00 0.17 -0.51 0.00 -0.73 0.00 0.00 57.03 55.97 3b9k h ASP 39 Cb 0.23 0.54 0.13 0.00 -0.83 0.00 0.00 39.33 39.40 3b9k h ASP 39 CO 0.00 -0.43 0.31 -2.16 -1.03 0.00 0.00 179.24 175.93 3b9k s PRO 40 N -5.88 2.07 0.00 4.15 0.04 -1.26 -4.84 135.00 129.28 3b9k s PRO 40 Ca -0.15 1.09 0.00 0.00 0.04 0.00 0.00 61.00 61.97 3b9k s PRO 40 Cb 0.09 -1.88 0.00 0.00 0.04 0.00 0.00 34.50 32.75 3b9k s PRO 40 CO 0.64 -1.75 1.63 0.36 0.04 0.00 0.00 177.00 177.92 3b9k n LYS 41 N -3.59 0.82 -4.41 4.56 2.85 -1.26 -4.51 118.16 112.62 3b9k n LYS 41 Ca 0.09 0.00 -0.21 0.00 -1.05 0.00 0.00 58.31 57.14 3b9k n LYS 41 Cb 0.53 -1.09 -0.09 0.00 -0.65 0.00 0.00 35.03 33.73 3b9k n LYS 41 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 177.40 176.84 3b9k s ASP 42 N 1.99 2.01 0.19 -5.58 1.11 -1.26 -5.16 116.67 109.96 3b9k s ASP 42 Ca 0.00 -1.51 -0.02 0.00 0.18 0.00 0.00 52.55 51.21 3b9k s ASP 42 Cb 0.00 0.25 -0.05 0.00 1.07 0.00 0.00 42.92 44.20 3b9k s ASP 42 CO 0.00 -0.80 0.39 -0.54 1.18 0.00 0.00 175.17 175.41 3b9k s LYS 43 N -3.85 3.54 0.15 8.23 1.02 -1.26 -4.53 119.74 123.04 3b9k s LYS 43 Ca 0.33 -0.27 -0.14 0.00 0.02 0.00 0.00 55.97 55.91 3b9k s LYS 43 Cb 0.06 -2.84 0.02 0.00 -0.52 0.00 0.00 37.83 34.55 3b9k s LYS 43 CO 0.15 0.41 0.38 1.52 -0.92 0.00 0.00 175.35 176.90 3b9k s TYR 44 N -1.83 0.00 -0.15 3.18 -0.85 -1.05 -5.01 117.35 111.65 3b9k s TYR 44 Ca 0.39 -0.36 -0.08 0.00 -0.52 0.00 0.00 57.07 56.51 3b9k s TYR 44 Cb -0.11 0.19 -0.04 0.00 0.38 0.00 0.00 41.96 42.37 3b9k s TYR 44 CO 0.28 -0.75 0.12 -0.06 -1.52 0.00 0.00 175.55 173.62 3b9k s PHE 45 N -3.87 3.48 0.05 -3.49 0.40 -1.26 -1.08 117.98 112.21 3b9k s PHE 45 Ca 0.08 0.41 0.08 0.00 -0.60 0.00 0.00 56.93 56.90 3b9k s PHE 45 Cb 0.02 -2.01 -0.03 0.00 0.51 0.00 0.00 43.02 41.51 3b9k s PHE 45 CO -0.06 0.53 -0.22 -1.83 0.70 0.00 0.00 175.22 174.34 3b9k s GLU 46 N -0.48 1.46 -0.27 0.44 -1.05 -0.40 -5.00 118.70 113.40 3b9k s GLU 46 Ca 0.12 -1.03 -0.24 0.00 -0.15 0.00 0.00 54.97 53.67 3b9k s GLU 46 Cb -0.12 -1.62 -0.00 0.00 -0.44 0.00 0.00 34.13 31.95 3b9k s GLU 46 CO 0.02 0.41 0.81 0.12 0.95 0.00 0.00 175.26 177.57 3b9k s PHE 47 N -0.85 3.26 -0.13 4.83 5.36 -1.26 -2.00 117.98 127.19 3b9k s PHE 47 Ca 0.09 0.99 -0.06 0.00 -0.96 0.00 0.00 56.93 56.99 3b9k s PHE 47 Cb -0.09 -3.14 -0.02 0.00 -0.34 0.00 0.00 43.02 39.43 3b9k s PHE 47 CO 0.02 -0.48 -0.09 -0.07 -1.46 0.00 0.00 175.22 173.14 3b9k h LEU 48 N 9.32 0.00 -7.00 6.12 3.38 -1.69 -3.35 115.31 122.09 3b9k h LEU 48 Ca -0.24 -0.02 0.04 0.00 0.09 0.00 0.00 57.88 57.75 3b9k h LEU 48 Cb 1.09 0.00 -0.20 0.00 0.09 0.00 0.00 40.66 41.64 3b9k h LEU 48 CO 0.88 0.66 0.42 0.00 0.09 0.00 0.00 178.44 180.49 3b9k s ALA 49 N -2.65 -1.85 0.02 1.53 0.00 -1.14 0.39 121.76 118.05 3b9k s ALA 49 Ca -0.09 1.37 0.05 0.00 0.00 0.00 0.00 51.96 53.29 3b9k s ALA 49 Cb 0.01 -0.26 -0.02 0.00 0.00 0.00 0.00 23.12 22.86 3b9k s ALA 49 CO 0.14 -0.40 -0.14 -1.54 0.00 0.00 0.00 175.76 173.82 3b9k s SER 50 N -1.41 1.65 -0.11 0.00 1.04 0.17 -1.18 113.70 113.86 3b9k s SER 50 Ca -0.03 -0.36 -0.00 0.00 0.48 0.00 0.00 55.95 56.03 3b9k s SER 50 Cb -0.00 -0.14 -0.02 0.00 0.10 0.00 0.00 66.02 65.95 3b9k s SER 50 CO 0.02 0.10 -0.10 0.86 0.98 0.00 0.00 173.24 175.10 3b9k s TRP 51 N -0.61 2.87 0.17 5.02 -0.00 -0.37 0.02 118.94 126.04 3b9k s TRP 51 Ca 0.03 -0.37 -0.01 0.00 -0.00 0.00 0.00 56.10 55.75 3b9k s TRP 51 Cb -0.07 -1.82 -0.04 0.00 -0.00 0.00 0.00 33.47 31.55 3b9k s TRP 51 CO 0.00 -0.01 0.10 -1.54 -0.00 0.00 0.00 176.95 175.50 3b9k s SER 52 N -0.01 0.22 0.12 5.86 1.04 -0.56 0.11 113.70 120.47 3b9k s SER 52 Ca -0.02 -1.30 -0.06 0.00 0.48 0.00 0.00 55.95 55.06 3b9k s SER 52 Cb -0.14 0.34 -0.13 0.00 0.10 0.00 0.00 66.02 66.20 3b9k s SER 52 CO 0.04 -0.79 1.28 -1.28 0.98 0.00 0.00 173.24 173.46 3b9k h SER 53 N 2.73 0.57 0.09 7.02 0.87 -0.59 -3.37 113.55 120.88 3b9k h SER 53 Ca -0.35 -0.47 -0.00 0.00 -1.23 0.00 0.00 61.79 59.73 3b9k h SER 53 Cb 1.23 -0.18 0.00 0.00 -0.44 0.00 0.00 62.40 63.01 3b9k h SER 53 CO 0.56 1.28 -0.05 0.77 -0.53 0.00 0.00 176.83 178.86 3b9k h SER 54 N 0.24 -0.11 -3.21 6.23 4.64 -1.98 -3.44 113.55 115.92 3b9k h SER 54 Ca -0.09 0.00 -0.47 0.00 -0.47 0.00 0.00 61.79 60.76 3b9k h SER 54 Cb 1.63 0.03 0.04 0.00 -0.31 0.00 0.00 62.40 63.78 3b9k h SER 54 CO 0.17 0.11 0.04 -0.54 -0.87 0.00 0.00 176.83 175.74 3b9k s LYS 55 N -1.88 3.05 0.00 4.77 -0.14 -1.26 -5.11 119.74 119.18 3b9k s LYS 55 Ca -0.02 -0.21 0.00 0.00 -1.36 0.00 0.00 55.97 54.38 3b9k s LYS 55 Cb 0.00 -2.42 0.00 0.00 -1.68 0.00 0.00 37.83 33.73 3b9k s LYS 55 CO 0.06 -0.44 0.00 0.41 -0.76 0.00 0.00 175.35 174.61 3b9k n GLY 56 N -2.31 1.13 3.66 -3.33 0.00 -1.26 -3.65 105.19 99.42 3b9k n GLY 56 Ca 0.03 -0.01 -0.38 0.00 0.00 0.00 0.00 46.02 45.66 3b9k n GLY 56 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3b9k s VAL 57 N 0.00 5.23 0.01 1.61 1.01 -1.26 -1.50 120.40 125.50 3b9k s VAL 57 Ca 0.00 0.55 0.06 0.00 0.00 0.00 0.00 61.98 62.59 3b9k s VAL 57 Cb 0.00 -3.67 -0.03 0.00 0.00 0.00 0.00 36.38 32.68 3b9k s VAL 57 CO 0.00 0.26 -0.16 -0.76 0.00 0.00 0.00 175.10 174.43 3b9k s LEU 58 N 1.40 2.67 0.04 3.92 1.43 0.10 -4.97 118.68 123.26 3b9k s LEU 58 Ca 0.15 -0.33 0.06 0.00 -1.03 0.00 0.00 54.13 52.98 3b9k s LEU 58 Cb -0.15 -1.55 -0.03 0.00 0.03 0.00 0.00 46.19 44.49 3b9k s LEU 58 CO 0.08 0.29 -0.13 -0.31 0.23 0.00 0.00 176.35 176.50 3b9k s TYR 59 N -0.85 2.69 0.20 0.29 2.02 -1.26 -0.65 117.35 119.78 3b9k s TYR 59 Ca 0.14 -0.17 -0.32 0.00 -0.37 0.00 0.00 57.07 56.34 3b9k s TYR 59 Cb -0.11 -1.51 -0.13 0.00 -0.40 0.00 0.00 41.96 39.82 3b9k s TYR 59 CO 0.04 0.31 1.65 0.41 -1.57 0.00 0.00 175.55 176.39 3b9k n GLY 60 N 1.45 1.35 0.27 0.71 0.00 0.16 -4.90 105.19 104.23 3b9k n GLY 60 Ca -0.16 0.61 0.13 0.00 0.00 0.00 0.00 46.02 46.60 3b9k n GLY 60 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 3b9k h GLU 61 N 6.19 0.00 -1.46 1.61 4.81 -1.90 -2.87 114.58 120.95 3b9k h GLU 61 Ca -0.44 0.00 -0.65 0.00 -0.13 0.00 0.00 59.36 58.14 3b9k h GLU 61 Cb 1.22 0.00 -0.26 0.00 0.63 0.00 0.00 28.75 30.35 3b9k h GLU 61 CO 0.91 0.08 0.84 -1.13 -0.73 0.00 0.00 179.01 178.98 3b9k n SER 62 N -3.84 7.41 -4.65 1.04 3.41 -1.26 -4.95 113.62 110.78 3b9k n SER 62 Ca -0.02 -3.67 -0.35 0.00 -0.26 0.00 0.00 58.87 54.56 3b9k n SER 62 Cb 0.17 -1.04 -0.09 0.00 -0.26 0.00 0.00 64.21 62.99 3b9k n SER 62 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 3b9k s VAL 63 N -4.40 5.06 0.44 -3.33 1.01 -1.09 -4.98 120.40 113.11 3b9k s VAL 63 Ca 0.56 0.07 0.13 0.00 0.00 0.00 0.00 61.98 62.74 3b9k s VAL 63 Cb 0.45 -3.31 0.31 0.00 0.00 0.00 0.00 36.38 33.83 3b9k s VAL 63 CO -0.16 0.42 2.02 0.44 0.00 0.00 0.00 175.10 177.82 3b9k h ASP 64 N 6.97 0.33 -4.68 3.32 3.32 -1.92 -3.42 116.42 120.34 3b9k h ASP 64 Ca -0.38 0.00 -0.17 0.00 0.02 0.00 0.00 57.03 56.50 3b9k h ASP 64 Cb 1.16 -0.07 -0.22 0.00 0.22 0.00 0.00 39.33 40.42 3b9k h ASP 64 CO 0.70 0.21 -0.59 -0.75 -1.72 0.00 0.00 179.24 177.09 3b9k s LYS 65 N -5.36 0.33 0.27 3.56 2.20 -1.26 -5.16 119.74 114.33 3b9k s LYS 65 Ca -0.07 -0.34 -0.20 0.00 -0.36 0.00 0.00 55.97 55.00 3b9k s LYS 65 Cb 0.19 0.13 -0.09 0.00 -1.51 0.00 0.00 37.83 36.55 3b9k s LYS 65 CO 0.74 -0.07 0.78 -1.59 -0.36 0.00 0.00 175.35 174.84 3b9k s LYS 66 N -1.06 4.25 -1.55 4.03 -2.85 -1.26 -3.93 119.74 117.36 3b9k s LYS 66 Ca -0.12 0.92 0.00 0.00 -1.00 0.00 0.00 55.97 55.77 3b9k s LYS 66 Cb -0.07 -2.73 0.00 0.00 -2.06 0.00 0.00 37.83 32.98 3b9k s LYS 66 CO 0.00 0.30 0.00 0.54 0.10 0.00 0.00 175.35 176.29 3b9k n ARG 67 N 0.38 -1.06 -0.07 1.78 1.74 -1.26 -4.86 116.66 113.32 3b9k n ARG 67 Ca 0.00 0.99 -0.04 0.00 -0.77 0.00 0.00 57.85 58.03 3b9k n ARG 67 Cb 0.52 -5.15 -0.14 0.00 -1.02 0.00 0.00 32.46 26.66 3b9k n ARG 67 CO 0.00 0.00 0.00 -1.71 -1.52 0.00 0.00 177.63 174.40 3b9k n ASN 68 N -0.47 0.60 -4.45 0.55 5.15 -1.25 -4.88 115.26 110.51 3b9k n ASN 68 Ca -0.15 0.00 -0.33 0.00 -0.60 0.00 0.00 54.58 53.50 3b9k n ASN 68 Cb 0.51 1.17 -0.13 0.00 -0.53 0.00 0.00 39.78 40.80 3b9k n ASN 68 CO 0.00 0.00 0.00 -0.63 1.40 0.00 0.00 177.26 178.03 3b9k s ILE 69 N -2.66 3.34 -0.05 -1.44 1.01 -1.26 -1.00 121.20 119.15 3b9k s ILE 69 Ca -0.08 -0.58 -0.01 0.00 0.00 0.00 0.00 60.65 59.98 3b9k s ILE 69 Cb 0.07 -2.40 0.03 0.00 0.01 0.00 0.00 42.46 40.17 3b9k s ILE 69 CO 0.75 0.54 0.03 -0.63 0.00 0.00 0.00 174.94 175.63 3b9k s ILE 70 N -0.03 0.12 0.19 2.92 1.01 -0.20 -5.02 121.20 120.19 3b9k s ILE 70 Ca -0.02 0.25 -0.18 0.00 0.00 0.00 0.00 60.65 60.71 3b9k s ILE 70 Cb -0.14 -0.31 -0.08 0.00 0.01 0.00 0.00 42.46 41.94 3b9k s ILE 70 CO 0.03 0.20 0.65 -0.76 0.00 0.00 0.00 174.94 175.07 3b9k s LEU 71 N 1.88 4.35 0.01 2.97 1.43 -1.26 -1.32 118.68 126.73 3b9k s LEU 71 Ca 0.02 1.28 -0.05 0.00 -1.03 0.00 0.00 54.13 54.35 3b9k s LEU 71 Cb -0.12 -3.44 -0.01 0.00 0.03 0.00 0.00 46.19 42.66 3b9k s LEU 71 CO -0.04 0.07 0.09 -1.61 0.23 0.00 0.00 176.35 175.09 3b9k s GLU 72 N -1.94 0.44 -1.28 1.70 2.02 -0.66 -4.89 118.70 114.09 3b9k s GLU 72 Ca 0.40 -0.47 0.00 0.00 0.02 0.00 0.00 54.97 54.92 3b9k s GLU 72 Cb -0.16 0.18 0.00 0.00 0.10 0.00 0.00 34.13 34.24 3b9k s GLU 72 CO 0.20 -0.10 0.00 0.43 0.02 0.00 0.00 175.26 175.81 3b9k n SER 73 N 1.47 -4.14 0.18 -0.19 7.64 -1.26 -0.75 113.62 116.57 3b9k n SER 73 Ca -0.23 0.21 0.05 0.00 1.01 0.00 0.00 58.87 59.91 3b9k n SER 73 Cb 0.55 -3.59 0.51 0.00 -1.01 0.00 0.00 64.21 60.68 3b9k n SER 73 CO 0.00 0.00 0.00 0.28 -3.01 0.00 0.00 175.04 172.31 3b9k h SER 74 N 0.00 0.11 -0.60 6.43 0.02 -1.87 0.57 113.55 118.21 3b9k h SER 74 Ca -0.32 -0.01 0.00 0.00 -0.84 0.00 0.00 61.79 60.62 3b9k h SER 74 Cb 1.15 -0.03 0.00 0.00 0.14 0.00 0.00 62.40 63.67 3b9k h SER 74 CO 0.40 0.19 0.00 -0.90 -1.14 0.00 0.00 176.83 175.38 3b9k n ASP 75 N -4.40 5.26 -4.99 3.07 5.75 -1.26 -4.71 116.55 115.27 3b9k n ASP 75 Ca -0.02 -2.71 -0.20 0.00 -0.01 0.00 0.00 54.79 51.85 3b9k n ASP 75 Cb 0.18 -0.64 0.07 0.00 -1.03 0.00 0.00 41.12 39.69 3b9k n ASP 75 CO 0.00 0.00 0.00 -0.94 -0.11 0.00 0.00 177.20 176.15 3b9k s SER 76 N -0.81 5.03 0.00 -1.12 1.04 0.19 -4.92 113.70 113.11 3b9k s SER 76 Ca 0.52 -0.78 0.26 0.00 0.48 0.00 0.00 55.95 56.44 3b9k s SER 76 Cb 0.37 0.24 0.98 0.00 0.10 0.00 0.00 66.02 67.71 3b9k s SER 76 CO 0.19 -1.39 1.70 -2.11 0.98 0.00 0.00 173.24 172.62 3b9k n ARG 77 N -2.30 1.67 -3.75 4.02 1.85 -1.26 -4.15 116.66 112.74 3b9k n ARG 77 Ca 0.15 -0.98 -0.28 0.00 -1.00 0.00 0.00 57.85 55.74 3b9k n ARG 77 Cb 0.61 -1.46 -0.11 0.00 -1.05 0.00 0.00 32.46 30.45 3b9k n ARG 77 CO 0.00 0.00 0.00 0.54 -0.01 0.00 0.00 177.63 178.16 3b9k n ARG 78 N 0.19 1.46 -1.76 2.89 1.74 -1.26 -0.14 116.66 119.79 3b9k n ARG 78 Ca 0.18 -4.17 -0.41 0.00 -0.77 0.00 0.00 57.85 52.68 3b9k n ARG 78 Cb 0.34 -2.12 -0.01 0.00 -1.02 0.00 0.00 32.46 29.65 3b9k n ARG 78 CO 0.00 0.00 0.00 -2.30 -1.52 0.00 0.00 177.63 173.81 3b9k n PRO 79 N 2.10 2.70 -4.40 5.56 -0.02 -1.19 -4.71 135.00 135.05 3b9k n PRO 79 Ca 0.23 0.96 -0.25 0.00 -2.02 0.00 0.00 63.50 62.41 3b9k n PRO 79 Cb 0.39 -2.72 -0.13 0.00 -0.02 0.00 0.00 33.50 31.01 3b9k n PRO 79 CO 0.00 0.00 0.00 -0.06 1.98 0.00 0.00 175.50 177.42 3b9k s PHE 80 N -0.43 1.92 0.02 6.00 0.40 0.07 -1.34 117.98 124.61 3b9k s PHE 80 Ca 0.60 -0.40 0.08 0.00 -0.60 0.00 0.00 56.93 56.60 3b9k s PHE 80 Cb -0.49 -1.07 -0.02 0.00 0.51 0.00 0.00 43.02 41.95 3b9k s PHE 80 CO 0.54 0.21 -0.23 -1.17 0.70 0.00 0.00 175.22 175.27 3b9k s LEU 81 N -1.77 2.11 0.02 -0.37 2.96 -0.20 -1.65 118.68 119.78 3b9k s LEU 81 Ca 0.08 -0.49 0.01 0.00 -0.22 0.00 0.00 54.13 53.51 3b9k s LEU 81 Cb -0.10 -1.16 -0.02 0.00 0.50 0.00 0.00 46.19 45.42 3b9k s LEU 81 CO 0.04 0.25 -0.04 -0.94 -1.32 0.00 0.00 176.35 174.34 3b9k s SER 82 N -0.89 0.38 -0.08 3.68 1.04 -0.43 -1.83 113.70 115.56 3b9k s SER 82 Ca 0.09 -0.38 0.04 0.00 0.48 0.00 0.00 55.95 56.19 3b9k s SER 82 Cb -0.09 0.05 -0.01 0.00 0.10 0.00 0.00 66.02 66.07 3b9k s SER 82 CO 0.01 -0.18 -0.22 -0.63 0.98 0.00 0.00 173.24 173.19 3b9k s ILE 83 N -1.03 2.33 0.00 -1.02 1.01 -0.41 -1.03 121.20 121.05 3b9k s ILE 83 Ca -0.10 -0.95 0.00 0.00 0.00 0.00 0.00 60.65 59.60 3b9k s ILE 83 Cb -0.07 -1.89 0.00 0.00 0.01 0.00 0.00 42.46 40.51 3b9k s ILE 83 CO -0.00 0.56 0.00 0.23 0.00 0.00 0.00 174.94 175.73 3b9k n MET 84 N 3.08 0.00 -1.91 2.79 2.81 -0.17 -0.97 117.12 122.76 3b9k n MET 84 Ca -0.18 0.04 -0.36 0.00 -1.81 0.00 0.00 57.70 55.39 3b9k n MET 84 Cb 0.52 -0.38 -0.02 0.00 -0.71 0.00 0.00 33.22 32.63 3b9k n MET 84 CO 0.00 0.00 0.00 0.09 1.51 0.00 0.00 175.97 177.57 3b9k n ASN 85 N -1.06 7.49 -4.56 7.83 4.13 -1.26 -3.63 115.26 124.20 3b9k n ASN 85 Ca 0.00 -3.25 -0.39 0.00 1.68 0.00 0.00 54.58 52.62 3b9k n ASN 85 Cb 0.00 -1.29 0.04 0.00 -1.54 0.00 0.00 39.78 36.99 3b9k n ASN 85 CO 0.00 0.00 0.00 0.52 0.28 0.00 0.00 177.26 178.06 3b9k n VAL 86 N 1.17 2.95 -4.15 2.41 0.31 -1.25 -4.55 118.33 115.22 3b9k n VAL 86 Ca 0.56 -0.50 -0.11 0.00 -0.01 0.00 0.00 64.34 64.29 3b9k n VAL 86 Cb 0.34 -0.96 -0.10 0.00 -0.91 0.00 0.00 33.84 32.20 3b9k n VAL 86 CO 0.00 0.00 0.00 -0.54 -1.32 0.00 0.00 176.83 174.97 3b9k s LYS 87 N -2.37 0.78 0.18 5.55 1.02 -1.26 -1.51 119.74 122.13 3b9k s LYS 87 Ca 0.71 -1.25 -0.19 0.00 0.02 0.00 0.00 55.97 55.25 3b9k s LYS 87 Cb -0.45 -0.19 0.12 0.00 -0.52 0.00 0.00 37.83 36.79 3b9k s LYS 87 CO 0.51 -0.02 1.61 -1.35 -0.92 0.00 0.00 175.35 175.19 3b9k h PRO 88 N 3.17 -0.14 -1.01 -1.68 0.11 -1.93 -2.58 132.00 127.95 3b9k h PRO 88 Ca -0.35 0.01 0.24 0.00 0.11 0.00 0.00 66.00 66.01 3b9k h PRO 88 Cb 1.17 0.03 -0.09 0.00 0.11 0.00 0.00 31.00 32.22 3b9k h PRO 88 CO 0.62 -0.09 0.64 0.93 -0.21 0.00 0.00 178.00 179.89 3b9k h GLU 89 N -0.15 0.45 -0.92 1.05 5.08 -1.97 0.14 114.58 118.27 3b9k h GLU 89 Ca 0.22 -0.03 -0.22 0.00 -1.00 0.00 0.00 59.36 58.33 3b9k h GLU 89 Cb 0.49 -0.10 -0.13 0.00 0.50 0.00 0.00 28.75 29.51 3b9k h GLU 89 CO -0.56 0.30 0.28 -0.40 -1.00 0.00 0.00 179.01 177.63 3b9k n ASP 90 N -4.64 3.63 -4.73 1.42 5.68 -0.97 -4.86 116.55 112.07 3b9k n ASP 90 Ca 0.24 -2.87 -0.40 0.00 -0.50 0.00 0.00 54.79 51.26 3b9k n ASP 90 Cb 0.79 -0.68 -0.05 0.00 -1.14 0.00 0.00 41.12 40.04 3b9k n ASP 90 CO 0.00 0.00 0.00 -0.94 -1.33 0.00 0.00 177.20 174.93 3b9k s SER 91 N -0.45 7.09 0.03 -1.12 1.04 0.49 -4.93 113.70 115.85 3b9k s SER 91 Ca 0.35 1.31 -0.28 0.00 0.48 0.00 0.00 55.95 57.81 3b9k s SER 91 Cb 0.29 -2.43 0.10 0.00 0.10 0.00 0.00 66.02 64.07 3b9k s SER 91 CO 0.08 -0.04 1.22 -1.81 0.98 0.00 0.00 173.24 173.67 3b9k s ASP 92 N 0.32 -0.02 0.29 7.02 1.01 -0.45 -4.93 116.67 119.92 3b9k s ASP 92 Ca 0.38 -0.29 -0.28 0.00 0.71 0.00 0.00 52.55 53.06 3b9k s ASP 92 Cb -0.19 0.24 -0.09 0.00 1.01 0.00 0.00 42.92 43.88 3b9k s ASP 92 CO 0.20 -0.46 1.03 -0.36 0.21 0.00 0.00 175.17 175.79 3b9k s PHE 93 N -2.23 3.65 0.11 4.23 0.08 -1.26 -1.08 117.98 121.49 3b9k s PHE 93 Ca 0.23 1.76 0.08 0.00 0.12 0.00 0.00 56.93 59.12 3b9k s PHE 93 Cb 0.01 -3.13 -0.04 0.00 -0.57 0.00 0.00 43.02 39.29 3b9k s PHE 93 CO -0.00 -0.19 -0.19 0.71 -0.10 0.00 0.00 175.22 175.45 3b9k s TYR 94 N -1.31 1.70 -0.01 0.36 1.51 0.98 -2.07 117.35 118.51 3b9k s TYR 94 Ca 0.46 -0.44 -0.01 0.00 -1.01 0.00 0.00 57.07 56.08 3b9k s TYR 94 Cb -0.27 -0.92 0.01 0.00 -0.11 0.00 0.00 41.96 40.67 3b9k s TYR 94 CO 0.34 0.21 0.03 -0.06 -1.11 0.00 0.00 175.55 174.96 3b9k s PHE 95 N -1.40 -0.02 0.31 2.71 0.08 -0.05 -0.68 117.98 118.93 3b9k s PHE 95 Ca 0.07 0.09 0.02 0.00 0.12 0.00 0.00 56.93 57.23 3b9k s PHE 95 Cb -0.09 -0.03 -0.03 0.00 -0.57 0.00 0.00 43.02 42.30 3b9k s PHE 95 CO 0.04 -0.03 0.48 0.00 -0.10 0.00 0.00 175.22 175.61 3b9k s ALA 97 N -2.19 -1.30 0.19 0.00 0.00 0.14 0.61 121.76 119.20 3b9k s ALA 97 Ca 0.38 0.79 0.09 0.00 0.00 0.00 0.00 51.96 53.22 3b9k s ALA 97 Cb -0.09 0.11 -0.04 0.00 0.00 0.00 0.00 23.12 23.09 3b9k s ALA 97 CO 0.33 -0.36 -0.18 -0.08 0.00 0.00 0.00 175.76 175.48 3b9k s THR 98 N -1.51 1.92 0.18 0.00 -1.32 -0.11 -0.45 115.64 114.34 3b9k s THR 98 Ca -0.11 -2.06 0.08 0.00 -1.21 0.00 0.00 61.69 58.39 3b9k s THR 98 Cb -0.02 -1.97 -0.04 0.00 -1.51 0.00 0.00 72.50 68.96 3b9k s THR 98 CO 0.05 -0.39 -0.16 0.68 -2.21 0.00 0.00 174.62 172.59 3b9k s VAL 99 N -2.32 1.74 0.00 5.08 -7.23 -1.26 -1.29 120.40 115.12 3b9k s VAL 99 Ca 0.20 -2.01 0.00 0.00 -1.81 0.00 0.00 61.98 58.36 3b9k s VAL 99 Cb -0.04 -1.88 0.00 0.00 0.56 0.00 0.00 36.38 35.01 3b9k s VAL 99 CO 0.08 -0.43 0.00 0.61 -0.31 0.00 0.00 175.10 175.05 3b9k n GLY 100 N 0.07 5.55 2.82 2.32 0.00 0.21 -4.96 105.19 111.19 3b9k n GLY 100 Ca -0.11 -1.09 -0.29 0.00 0.00 0.00 0.00 46.02 44.53 3b9k n GLY 100 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3b9k s SER 101 N 1.00 4.06 0.11 1.61 0.01 -1.26 -4.47 113.70 114.76 3b9k s SER 101 Ca 0.00 -3.28 0.21 0.00 1.31 0.00 0.00 55.95 54.19 3b9k s SER 101 Cb 0.00 -1.37 -0.10 0.00 0.21 0.00 0.00 66.02 64.75 3b9k s SER 101 CO 0.00 -0.17 0.85 -0.81 0.41 0.00 0.00 173.24 173.52 3b9k n PRO 102 N 2.71 0.62 0.00 12.44 -0.05 -1.26 -5.12 135.00 144.35 3b9k n PRO 102 Ca 0.14 0.08 0.00 0.00 -0.05 0.00 0.00 63.50 63.68 3b9k n PRO 102 Cb 0.35 -1.76 0.00 0.00 -0.05 0.00 0.00 33.50 32.05 3b9k n PRO 102 CO 0.00 0.00 0.00 1.17 -0.05 0.00 0.00 175.50 176.62 3b9k n LYS 103 N -2.65 0.00 -5.03 0.54 3.00 -1.26 -4.93 118.16 107.82 3b9k n LYS 103 Ca -0.04 0.00 -0.32 0.00 -0.00 0.00 0.00 58.31 57.95 3b9k n LYS 103 Cb 0.64 0.00 -0.14 0.00 0.00 0.00 0.00 35.03 35.53 3b9k n LYS 103 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 177.40 178.81 3b9k s MET 104 N 0.00 2.43 -0.04 1.64 -2.45 -1.26 0.65 119.30 120.27 3b9k s MET 104 Ca 0.00 -0.78 0.02 0.00 -1.25 0.00 0.00 55.69 53.68 3b9k s MET 104 Cb 0.00 -2.28 0.01 0.00 1.25 0.00 0.00 34.83 33.82 3b9k s MET 104 CO 0.00 0.57 -0.07 0.08 1.05 0.00 0.00 175.02 176.65 3b9k s VAL 105 N -0.61 0.70 -0.10 10.11 1.01 -0.41 -5.00 120.40 126.11 3b9k s VAL 105 Ca 0.09 -0.27 -0.07 0.00 0.00 0.00 0.00 61.98 61.73 3b9k s VAL 105 Cb -0.11 -0.66 -0.04 0.00 0.00 0.00 0.00 36.38 35.57 3b9k s VAL 105 CO 0.00 0.24 0.17 -0.36 0.00 0.00 0.00 175.10 175.16 3b9k s PHE 106 N 0.52 3.61 0.80 5.22 0.40 -1.26 -0.93 117.98 126.34 3b9k s PHE 106 Ca -0.08 0.55 -0.14 0.00 -0.60 0.00 0.00 56.93 56.66 3b9k s PHE 106 Cb -0.12 -1.96 0.04 0.00 0.51 0.00 0.00 43.02 41.50 3b9k s PHE 106 CO 0.01 0.72 0.92 0.41 0.70 0.00 0.00 175.22 177.97 3b9k n GLY 107 N 1.84 -0.68 3.56 4.36 0.00 0.20 -4.92 105.19 109.55 3b9k n GLY 107 Ca -0.18 -0.49 -0.29 0.00 0.00 0.00 0.00 46.02 45.06 3b9k n GLY 107 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3b9k s THR 108 N -2.08 1.83 0.77 2.61 -4.23 -0.99 -4.67 115.64 108.87 3b9k s THR 108 Ca 0.69 0.00 -0.11 0.00 -1.18 0.00 0.00 61.69 61.09 3b9k s THR 108 Cb -0.30 -2.32 0.06 0.00 1.34 0.00 0.00 72.50 71.28 3b9k s THR 108 CO 0.55 0.00 1.10 -0.83 -0.54 0.00 0.00 174.62 174.90 3b9k s GLY 109 N -3.23 1.75 -0.23 3.99 0.00 -1.26 -4.46 107.32 103.88 3b9k s GLY 109 Ca 0.68 0.34 -0.00 0.00 0.00 0.00 0.00 44.72 45.74 3b9k s GLY 109 CO 0.59 0.70 -0.11 -1.59 0.00 0.00 0.00 173.10 172.69 3b9k s THR 110 N -2.79 2.58 -0.69 0.90 2.01 0.14 -4.28 115.64 113.51 3b9k s THR 110 Ca 0.63 -1.02 -0.21 0.00 0.31 0.00 0.00 61.69 61.40 3b9k s THR 110 Cb -0.18 -2.26 0.09 0.00 0.01 0.00 0.00 72.50 70.16 3b9k s THR 110 CO 0.54 0.30 0.92 -0.75 -0.69 0.00 0.00 174.62 174.94 3b9k s LYS 111 N 1.30 3.19 -0.14 4.92 2.20 0.12 -0.02 119.74 131.31 3b9k s LYS 111 Ca 0.01 -1.17 -0.20 0.00 -0.36 0.00 0.00 55.97 54.25 3b9k s LYS 111 Cb -0.16 -4.37 -0.04 0.00 -1.51 0.00 0.00 37.83 31.76 3b9k s LYS 111 CO -0.07 -1.72 0.55 -1.17 -0.36 0.00 0.00 175.35 172.58 3b9k s LEU 112 N 3.35 4.23 -0.04 5.43 2.96 -0.24 -1.54 118.68 132.84 3b9k s LEU 112 Ca 0.21 0.85 0.07 0.00 -0.22 0.00 0.00 54.13 55.04 3b9k s LEU 112 Cb -0.17 -2.80 -0.01 0.00 0.50 0.00 0.00 46.19 43.71 3b9k s LEU 112 CO 0.05 -0.11 -0.25 -0.89 -1.32 0.00 0.00 176.35 173.83 3b9k s THR 113 N 1.12 2.04 -0.12 3.68 2.01 -0.23 -1.34 115.64 122.80 3b9k s THR 113 Ca 0.28 -1.08 0.03 0.00 0.31 0.00 0.00 61.69 61.23 3b9k s THR 113 Cb -0.16 -1.71 0.01 0.00 0.01 0.00 0.00 72.50 70.65 3b9k s THR 113 CO 0.11 0.57 -0.23 -0.69 -0.69 0.00 0.00 174.62 173.70 3b9k s VAL 114 N -0.34 2.05 0.17 3.82 1.01 -1.26 -1.48 120.40 124.36 3b9k s VAL 114 Ca 0.02 -0.99 0.07 0.00 0.00 0.00 0.00 61.98 61.08 3b9k s VAL 114 Cb -0.12 -1.80 -0.04 0.00 0.00 0.00 0.00 36.38 34.42 3b9k s VAL 114 CO 0.02 0.55 -0.14 -0.69 0.00 0.00 0.00 175.10 174.84 3b9k s VAL 115 N 0.65 1.55 0.80 2.92 1.01 -0.17 -3.92 120.40 123.24 3b9k s VAL 115 Ca -0.11 -2.02 -0.11 0.00 0.00 0.00 0.00 61.98 59.73 3b9k s VAL 115 Cb -0.16 -1.86 0.09 0.00 0.00 0.00 0.00 36.38 34.45 3b9k s VAL 115 CO 0.02 -0.54 1.16 -1.81 0.00 0.00 0.00 175.10 173.93 3b9k s ASP 116 N -2.99 4.39 0.00 3.32 1.01 -1.26 -1.02 116.67 120.12 3b9k s ASP 116 Ca 0.17 0.61 0.00 0.00 0.71 0.00 0.00 52.55 54.04 3b9k s ASP 116 Cb -0.02 -1.08 0.00 0.00 1.01 0.00 0.00 42.92 42.83 3b9k s ASP 116 CO 0.05 -1.94 0.00 0.52 0.21 0.00 0.00 175.17 174.01