#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3bim s ASP 6 N 0.00 4.93 -0.19 0.00 -0.00 -1.26 -5.09 116.67 115.07 3bim s ASP 6 Ca 0.00 -0.12 -0.29 0.00 -0.00 0.00 0.00 52.55 52.15 3bim s ASP 6 Cb 0.00 -1.20 0.00 0.00 -0.00 0.00 0.00 42.92 41.72 3bim s ASP 6 CO 0.00 0.24 1.00 -0.44 -0.00 0.00 0.00 175.17 175.97 3bim s SER 7 N -1.80 7.12 -0.14 0.27 0.01 -1.26 -5.04 113.70 112.86 3bim s SER 7 Ca 0.21 1.39 -0.01 0.00 1.31 0.00 0.00 55.95 58.86 3bim s SER 7 Cb -0.11 -2.53 -0.01 0.00 0.21 0.00 0.00 66.02 63.57 3bim s SER 7 CO 0.12 -0.57 -0.12 -1.58 0.41 0.00 0.00 173.24 171.50 3bim s GLN 8 N 2.75 3.40 -0.26 12.44 0.74 -1.26 -5.07 119.66 132.39 3bim s GLN 8 Ca 0.44 -0.67 -0.05 0.00 0.05 0.00 0.00 55.36 55.13 3bim s GLN 8 Cb -0.16 -2.68 0.00 0.00 1.10 0.00 0.00 33.01 31.27 3bim s GLN 8 CO 0.10 0.18 0.02 0.42 -0.55 0.00 0.00 175.29 175.46 3bim s ILE 9 N 0.44 3.66 -0.13 -2.34 1.01 -1.26 -5.08 121.20 117.50 3bim s ILE 9 Ca -0.09 -0.64 -0.20 0.00 0.00 0.00 0.00 60.65 59.72 3bim s ILE 9 Cb -0.16 -2.81 -0.04 0.00 0.01 0.00 0.00 42.46 39.47 3bim s ILE 9 CO 0.05 0.22 0.55 -1.10 0.00 0.00 0.00 174.94 174.66 3bim s GLN 10 N 1.48 4.32 -0.46 2.79 -0.21 -1.26 -5.04 119.66 121.27 3bim s GLN 10 Ca 0.03 0.56 -0.17 0.00 0.02 0.00 0.00 55.36 55.80 3bim s GLN 10 Cb -0.16 -3.48 0.05 0.00 1.00 0.00 0.00 33.01 30.42 3bim s GLN 10 CO -0.00 0.03 0.47 -0.06 -2.12 0.00 0.00 175.29 173.61 3bim s PHE 11 N 1.02 3.16 -0.49 0.91 0.40 -1.26 -4.92 117.98 116.80 3bim s PHE 11 Ca 0.29 -0.60 0.23 0.00 -0.60 0.00 0.00 56.93 56.24 3bim s PHE 11 Cb -0.16 -3.15 0.97 0.00 0.51 0.00 0.00 43.02 41.19 3bim s PHE 11 CO 0.12 -0.82 1.69 0.25 0.70 0.00 0.00 175.22 177.16 3bim n THR 12 N 5.41 0.85 -0.15 0.64 -2.24 -1.26 -2.57 114.28 114.96 3bim n THR 12 Ca -0.09 0.26 0.06 0.00 -2.27 0.00 0.00 64.05 62.01 3bim n THR 12 Cb 0.46 -1.19 0.16 0.00 -2.10 0.00 0.00 70.33 67.66 3bim n THR 12 CO 0.00 0.00 0.00 -2.11 -0.57 0.00 0.00 175.07 172.39 3bim n ARG 13 N -2.20 2.71 0.16 -0.78 1.85 -1.26 -4.70 116.66 112.44 3bim n ARG 13 Ca 0.02 -2.06 -0.14 0.00 -1.00 0.00 0.00 57.85 54.67 3bim n ARG 13 Cb 0.21 -1.30 -0.08 0.00 -1.05 0.00 0.00 32.46 30.25 3bim n ARG 13 CO 0.00 0.00 0.00 1.25 -0.01 0.00 0.00 177.63 178.87 3bim h HIS 14 N 2.29 -0.35 -0.89 2.89 2.76 -1.92 -0.72 115.15 119.20 3bim h HIS 14 Ca 0.00 -0.01 0.13 0.00 -2.20 0.00 0.00 60.37 58.29 3bim h HIS 14 Cb 0.74 0.11 -0.09 0.00 1.55 0.00 0.00 27.41 29.73 3bim h HIS 14 CO 0.24 -0.12 0.51 0.00 -1.30 0.00 0.00 177.93 177.26 3bim h ALA 15 N 0.16 1.32 -0.15 5.26 0.00 -1.84 0.20 119.26 124.21 3bim h ALA 15 Ca -0.04 0.05 -0.16 0.00 0.00 0.00 0.00 54.91 54.76 3bim h ALA 15 Cb 0.39 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.06 3bim h ALA 15 CO 0.06 0.05 -0.59 0.77 0.00 0.00 0.00 179.25 179.54 3bim h SER 16 N 0.78 0.57 -0.21 0.00 0.02 -1.84 -1.06 113.55 111.81 3bim h SER 16 Ca 0.46 -0.32 -0.12 0.00 -0.84 0.00 0.00 61.79 60.96 3bim h SER 16 Cb 0.53 -0.16 -0.01 0.00 0.14 0.00 0.00 62.40 62.90 3bim h SER 16 CO -0.30 1.03 -0.30 0.44 -1.14 0.00 0.00 176.83 176.56 3bim h ASP 17 N 0.38 0.73 0.02 3.07 3.32 0.30 -0.98 116.42 123.26 3bim h ASP 17 Ca -0.00 -0.29 -0.00 0.00 0.02 0.00 0.00 57.03 56.76 3bim h ASP 17 Cb 1.14 -0.20 0.00 0.00 0.22 0.00 0.00 39.33 40.49 3bim h ASP 17 CO 0.11 0.98 -0.01 0.58 -1.72 0.00 0.00 179.24 179.18 3bim h VAL 18 N 0.60 1.22 -0.88 -1.35 2.07 -0.47 -1.18 116.25 116.26 3bim h VAL 18 Ca 0.07 -0.75 0.02 0.00 0.82 0.00 0.00 66.70 66.86 3bim h VAL 18 Cb 0.81 1.72 -0.05 0.00 -1.52 0.00 0.00 31.29 32.26 3bim h VAL 18 CO 0.07 0.19 0.58 0.25 0.02 0.00 0.00 177.57 178.68 3bim h LEU 19 N -0.35 0.98 -0.12 2.57 5.85 -1.13 -0.28 115.31 122.82 3bim h LEU 19 Ca -0.00 -0.02 -0.00 0.00 0.84 0.00 0.00 57.88 58.70 3bim h LEU 19 Cb 0.34 -0.24 -0.01 0.00 0.37 0.00 0.00 40.66 41.12 3bim h LEU 19 CO 0.00 0.70 0.07 0.25 -0.34 0.00 0.00 178.44 179.13 3bim h LEU 20 N 1.15 0.15 -1.38 2.25 5.85 -0.96 -1.73 115.31 120.65 3bim h LEU 20 Ca 0.33 -0.06 -0.06 0.00 0.84 0.00 0.00 57.88 58.94 3bim h LEU 20 Cb -0.08 -0.04 -0.01 0.00 0.37 0.00 0.00 40.66 40.90 3bim h LEU 20 CO -0.08 0.17 -0.20 0.78 -0.34 0.00 0.00 178.44 178.77 3bim h ASN 21 N 0.12 0.16 -0.08 1.25 2.35 -0.28 -2.08 115.58 117.03 3bim h ASN 21 Ca 0.04 -0.04 -0.09 0.00 -0.55 0.00 0.00 56.30 55.66 3bim h ASN 21 Cb 0.04 -0.04 -0.01 0.00 0.05 0.00 0.00 38.32 38.36 3bim h ASN 21 CO -0.01 0.37 -0.24 -0.07 -1.65 0.00 0.00 177.43 175.84 3bim h LEU 22 N 0.16 0.50 -0.40 1.61 3.38 -0.70 -1.63 115.31 118.23 3bim h LEU 22 Ca 0.03 -0.16 -0.11 0.00 0.09 0.00 0.00 57.88 57.73 3bim h LEU 22 Cb 0.44 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 41.05 3bim h LEU 22 CO 0.03 0.73 -0.18 -1.13 0.09 0.00 0.00 178.44 177.99 3bim h ASN 23 N 0.44 0.84 -0.68 -0.43 -0.00 -0.72 -1.37 115.58 113.67 3bim h ASN 23 Ca 0.07 -0.40 0.01 0.00 -0.00 0.00 0.00 56.30 55.98 3bim h ASN 23 Cb 0.65 -0.23 -0.04 0.00 -0.00 0.00 0.00 38.32 38.70 3bim h ASN 23 CO 0.05 1.05 0.44 0.03 -0.00 0.00 0.00 177.43 179.00 3bim h ARG 24 N 0.63 0.87 -1.00 6.67 2.47 -1.12 -0.49 114.38 122.42 3bim h ARG 24 Ca 0.09 -0.05 0.05 0.00 -1.26 0.00 0.00 59.98 58.81 3bim h ARG 24 Cb 0.73 -0.20 -0.06 0.00 -1.65 0.00 0.00 29.97 28.79 3bim h ARG 24 CO 0.06 0.58 0.65 -0.07 0.56 0.00 0.00 179.97 181.74 3bim h LEU 25 N 0.90 1.06 0.27 3.04 3.38 -1.22 0.02 115.31 122.75 3bim h LEU 25 Ca 0.26 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.21 3bim h LEU 25 Cb -0.07 -0.23 0.00 0.00 0.09 0.00 0.00 40.66 40.46 3bim h LEU 25 CO -0.07 0.69 -0.13 -0.09 0.09 0.00 0.00 178.44 178.93 3bim h ARG 26 N 1.21 -0.35 0.00 1.13 2.43 0.02 0.55 114.38 119.36 3bim h ARG 26 Ca 0.42 0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.61 3bim h ARG 26 Cb 0.10 0.08 0.00 0.00 -0.42 0.00 0.00 29.97 29.73 3bim h ARG 26 CO -0.15 -0.19 0.00 0.66 -1.51 0.00 0.00 179.97 178.78 3bim h SER 27 N -0.43 0.00 -0.45 -3.80 4.64 -0.77 0.12 113.55 112.86 3bim h SER 27 Ca -0.04 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.28 3bim h SER 27 Cb 0.32 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.41 3bim h SER 27 CO 0.06 0.00 0.00 0.54 -0.87 0.00 0.00 176.83 176.56 3bim n ARG 28 N -2.66 2.10 -2.54 4.77 1.74 -0.04 -4.96 116.66 115.08 3bim n ARG 28 Ca 0.04 -1.71 -0.17 0.00 -0.77 0.00 0.00 57.85 55.24 3bim n ARG 28 Cb 0.42 -1.39 -0.00 0.00 -1.02 0.00 0.00 32.46 30.47 3bim n ARG 28 CO 0.00 0.00 0.00 -3.47 -1.52 0.00 0.00 177.63 172.64 3bim n ASP 29 N 0.89 -4.88 -4.70 0.55 4.64 0.41 -4.97 116.55 108.50 3bim n ASP 29 Ca 0.16 0.03 -0.40 0.00 -1.38 0.00 0.00 54.79 53.21 3bim n ASP 29 Cb 0.41 -4.08 -0.05 0.00 -1.04 0.00 0.00 41.12 36.37 3bim n ASP 29 CO 0.00 0.00 0.00 -0.63 -0.82 0.00 0.00 177.20 175.75 3bim s ILE 30 N -2.85 5.04 0.00 5.18 1.01 0.18 -4.05 121.20 125.71 3bim s ILE 30 Ca 0.05 1.35 0.00 0.00 0.00 0.00 0.00 60.65 62.05 3bim s ILE 30 Cb -0.03 -4.00 0.00 0.00 0.01 0.00 0.00 42.46 38.44 3bim s ILE 30 CO 0.07 0.20 0.00 0.18 0.00 0.00 0.00 174.94 175.39 3bim n LEU 31 N 4.21 0.80 -4.60 2.97 4.77 -1.26 -4.57 117.00 119.32 3bim n LEU 31 Ca -0.01 0.00 -0.42 0.00 -0.03 0.00 0.00 56.01 55.55 3bim n LEU 31 Cb 0.51 -1.84 0.00 0.00 -2.33 0.00 0.00 43.42 39.76 3bim n LEU 31 CO 0.46 -0.68 0.57 0.35 -1.33 0.00 0.00 177.39 176.76 3bim n THR 32 N -1.54 2.28 -0.78 -5.08 -2.24 -1.26 -4.83 114.28 100.82 3bim n THR 32 Ca 0.00 -0.50 0.00 0.00 -2.27 0.00 0.00 64.05 61.28 3bim n THR 32 Cb 0.29 -1.11 0.00 0.00 -2.10 0.00 0.00 70.33 67.40 3bim n THR 32 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 3bim n ASP 33 N 0.73 0.32 -3.79 3.42 3.85 -0.35 -4.96 116.55 115.77 3bim n ASP 33 Ca 0.09 -1.10 -0.11 0.00 -0.71 0.00 0.00 54.79 52.96 3bim n ASP 33 Cb 0.37 0.00 -0.08 0.00 -1.35 0.00 0.00 41.12 40.07 3bim n ASP 33 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.20 176.73 3bim s VAL 34 N -0.10 0.09 -0.16 2.12 0.11 -1.06 -4.65 120.40 116.74 3bim s VAL 34 Ca 0.00 -0.75 -0.01 0.00 -2.93 0.00 0.00 61.98 58.29 3bim s VAL 34 Cb 0.00 -0.90 -0.01 0.00 -1.53 0.00 0.00 36.38 33.93 3bim s VAL 34 CO 0.00 -0.41 -0.11 -0.69 -3.33 0.00 0.00 175.10 170.56 3bim s VAL 35 N -2.48 3.10 -0.26 2.04 1.01 -0.05 -1.38 120.40 122.38 3bim s VAL 35 Ca -0.06 -0.62 -0.15 0.00 0.00 0.00 0.00 61.98 61.15 3bim s VAL 35 Cb -0.01 -2.34 -0.04 0.00 0.00 0.00 0.00 36.38 33.99 3bim s VAL 35 CO -0.03 0.49 0.39 -0.63 0.00 0.00 0.00 175.10 175.32 3bim s ILE 36 N 0.78 5.17 -0.26 2.22 -1.09 0.16 -0.54 121.20 127.63 3bim s ILE 36 Ca -0.04 0.62 -0.10 0.00 -2.23 0.00 0.00 60.65 58.90 3bim s ILE 36 Cb -0.15 -3.71 -0.04 0.00 -1.58 0.00 0.00 42.46 36.97 3bim s ILE 36 CO 0.01 0.16 0.15 -0.69 -1.23 0.00 0.00 174.94 173.34 3bim s VAL 37 N 2.02 5.03 -0.31 2.92 1.01 0.03 -0.87 120.40 130.24 3bim s VAL 37 Ca 0.16 0.07 0.01 0.00 0.00 0.00 0.00 61.98 62.23 3bim s VAL 37 Cb -0.16 -3.37 0.09 0.00 0.00 0.00 0.00 36.38 32.94 3bim s VAL 37 CO 0.10 0.30 0.05 -0.69 0.00 0.00 0.00 175.10 174.85 3bim s VAL 38 N 1.55 1.57 0.00 2.92 1.01 0.49 -1.46 120.40 126.48 3bim s VAL 38 Ca 0.07 -1.74 0.00 0.00 0.00 0.00 0.00 61.98 60.31 3bim s VAL 38 Cb -0.15 -2.10 0.00 0.00 0.00 0.00 0.00 36.38 34.13 3bim s VAL 38 CO 0.08 -0.53 0.00 -1.20 0.00 0.00 0.00 175.10 173.45 3bim n SER 39 N 4.57 0.00 0.09 3.32 7.64 -1.26 -0.25 113.62 127.73 3bim n SER 39 Ca -0.02 0.00 -0.12 0.00 1.01 0.00 0.00 58.87 59.74 3bim n SER 39 Cb 0.42 0.00 -0.05 0.00 -1.01 0.00 0.00 64.21 63.57 3bim n SER 39 CO 0.00 0.00 0.00 0.03 -3.01 0.00 0.00 175.04 172.06 3bim h ARG 40 N 0.00 -0.30 -6.81 1.43 2.47 -1.97 -3.48 114.38 105.72 3bim h ARG 40 Ca 0.00 0.02 -0.46 0.00 -1.26 0.00 0.00 59.98 58.28 3bim h ARG 40 Cb 0.00 0.07 0.04 0.00 -1.65 0.00 0.00 29.97 28.42 3bim h ARG 40 CO 0.00 -0.20 -0.02 -1.21 0.56 0.00 0.00 179.97 179.10 3bim s GLU 41 N -6.12 3.00 -0.03 0.04 2.02 0.65 -5.08 118.70 113.17 3bim s GLU 41 Ca -0.15 -0.38 0.03 0.00 0.02 0.00 0.00 54.97 54.49 3bim s GLU 41 Cb 0.08 -2.48 0.00 0.00 0.10 0.00 0.00 34.13 31.83 3bim s GLU 41 CO 0.66 -0.40 -0.11 -0.65 0.02 0.00 0.00 175.26 174.77 3bim s GLN 42 N -4.68 1.22 -0.09 1.61 -0.21 -1.26 -0.38 119.66 115.88 3bim s GLN 42 Ca 0.50 -0.38 -0.00 0.00 0.02 0.00 0.00 55.36 55.50 3bim s GLN 42 Cb -0.10 -1.10 0.02 0.00 1.00 0.00 0.00 33.01 32.83 3bim s GLN 42 CO 0.40 0.13 -0.05 -0.06 -2.12 0.00 0.00 175.29 173.60 3bim s PHE 43 N 0.21 1.09 0.19 0.91 0.40 -0.05 -4.96 117.98 115.77 3bim s PHE 43 Ca -0.04 -0.45 -0.30 0.00 -0.60 0.00 0.00 56.93 55.54 3bim s PHE 43 Cb -0.10 -1.00 -0.08 0.00 0.51 0.00 0.00 43.02 42.35 3bim s PHE 43 CO 0.01 -0.39 0.95 1.03 0.70 0.00 0.00 175.22 177.52 3bim s ARG 44 N 1.67 4.79 0.32 0.44 1.81 -1.26 0.37 118.95 127.09 3bim s ARG 44 Ca 0.02 1.49 -0.12 0.00 -1.72 0.00 0.00 55.73 55.40 3bim s ARG 44 Cb -0.13 -3.31 0.02 0.00 -0.45 0.00 0.00 34.95 31.08 3bim s ARG 44 CO -0.05 0.40 0.60 0.00 -0.68 0.00 0.00 175.30 175.56 3bim s ALA 45 N -0.75 -0.23 -0.19 2.13 0.00 -0.48 -4.96 121.76 117.28 3bim s ALA 45 Ca 0.43 -0.95 -0.14 0.00 0.00 0.00 0.00 51.96 51.31 3bim s ALA 45 Cb -0.25 0.95 -0.04 0.00 0.00 0.00 0.00 23.12 23.77 3bim s ALA 45 CO 0.31 -0.90 0.29 -1.01 0.00 0.00 0.00 175.76 174.46 3bim s HIS 46 N -3.25 3.41 0.22 0.00 3.76 -1.26 -1.21 115.29 116.96 3bim s HIS 46 Ca 0.21 0.52 -0.08 0.00 -0.15 0.00 0.00 55.06 55.56 3bim s HIS 46 Cb -0.03 -2.38 0.32 0.00 1.11 0.00 0.00 32.58 31.61 3bim s HIS 46 CO 0.13 0.13 1.74 0.87 -0.85 0.00 0.00 174.74 176.76 3bim h LYS 47 N 7.04 0.40 -0.72 1.40 1.57 -1.92 -2.24 116.57 122.10 3bim h LYS 47 Ca -0.39 -0.02 -0.01 0.00 -1.87 0.00 0.00 60.65 58.36 3bim h LYS 47 Cb 1.16 -0.09 -0.03 0.00 0.08 0.00 0.00 32.23 33.35 3bim h LYS 47 CO 0.73 0.27 0.43 1.79 -0.57 0.00 0.00 179.45 182.09 3bim h THR 48 N 0.42 1.21 -0.63 -0.16 1.35 -1.98 0.62 112.91 113.74 3bim h THR 48 Ca 0.33 -0.48 0.01 0.00 -0.55 0.00 0.00 66.41 65.73 3bim h THR 48 Cb 0.44 0.22 -0.03 0.00 -1.73 0.00 0.00 68.15 67.04 3bim h THR 48 CO -0.33 0.22 0.41 0.58 -0.25 0.00 0.00 175.52 176.15 3bim h VAL 49 N 0.99 1.14 -0.41 6.82 2.07 -1.93 0.12 116.25 125.05 3bim h VAL 49 Ca 0.26 -0.28 0.01 0.00 0.82 0.00 0.00 66.70 67.51 3bim h VAL 49 Cb -0.02 0.24 -0.02 0.00 -1.52 0.00 0.00 31.29 29.97 3bim h VAL 49 CO -0.05 0.15 0.25 -0.07 0.02 0.00 0.00 177.57 177.87 3bim h LEU 50 N 0.83 0.42 -1.26 2.57 3.38 -0.72 -2.21 115.31 118.31 3bim h LEU 50 Ca 0.24 -0.00 -0.08 0.00 0.09 0.00 0.00 57.88 58.13 3bim h LEU 50 Cb -0.06 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 40.58 3bim h LEU 50 CO -0.07 0.30 -0.37 0.24 0.09 0.00 0.00 178.44 178.64 3bim h MET 51 N 0.51 0.00 0.00 1.13 2.86 -0.58 -1.78 114.93 117.07 3bim h MET 51 Ca 0.16 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.80 3bim h MET 51 Cb -0.02 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.64 3bim h MET 51 CO -0.06 0.37 0.00 0.00 1.06 0.00 0.00 176.91 178.28 3bim n ALA 52 N -2.47 1.95 -0.00 6.32 0.00 0.38 -3.98 120.51 122.71 3bim n ALA 52 Ca -0.02 -0.02 0.02 0.00 0.00 0.00 0.00 53.44 53.43 3bim n ALA 52 Cb 0.40 -1.38 -0.04 0.00 0.00 0.00 0.00 19.45 18.43 3bim n ALA 52 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3bim s SER 54 N -2.70 0.53 0.29 0.00 0.15 -0.72 -4.83 113.70 106.41 3bim s SER 54 Ca -0.02 -0.06 0.26 0.00 0.70 0.00 0.00 55.95 56.83 3bim s SER 54 Cb 0.03 -0.24 0.86 0.00 -1.71 0.00 0.00 66.02 64.97 3bim s SER 54 CO 0.22 -0.06 1.76 1.23 1.20 0.00 0.00 173.24 177.59 3bim h GLY 55 N 7.01 0.00 0.87 9.45 0.00 -1.79 -2.32 103.07 116.29 3bim h GLY 55 Ca -0.39 0.00 -0.02 0.00 0.00 0.00 0.00 47.33 46.91 3bim h GLY 55 CO 0.48 0.00 -0.24 -2.00 0.00 0.00 0.00 176.54 174.78 3bim h LEU 56 N 0.00 -0.57 -1.37 3.11 5.85 -1.88 -0.59 115.31 119.86 3bim h LEU 56 Ca 0.00 -0.04 -0.01 0.00 0.84 0.00 0.00 57.88 58.67 3bim h LEU 56 Cb 0.63 0.15 -0.03 0.00 0.37 0.00 0.00 40.66 41.78 3bim h LEU 56 CO 0.00 -0.31 0.28 -0.26 -0.34 0.00 0.00 178.44 177.81 3bim h PHE 57 N -0.82 0.69 -0.69 1.25 0.05 -1.83 -0.93 116.94 114.66 3bim h PHE 57 Ca -0.07 -0.01 -0.01 0.00 3.82 0.00 0.00 57.97 61.70 3bim h PHE 57 Cb 0.58 -0.22 -0.03 0.00 2.00 0.00 0.00 35.95 38.27 3bim h PHE 57 CO -0.01 0.49 0.39 -0.92 -0.18 0.00 0.00 178.31 178.08 3bim h TYR 58 N 0.72 0.94 -0.23 -0.55 3.20 -1.38 -0.09 116.97 119.57 3bim h TYR 58 Ca 0.18 -0.02 -0.08 0.00 3.14 0.00 0.00 58.73 61.96 3bim h TYR 58 Cb 0.03 -0.30 -0.01 0.00 1.54 0.00 0.00 36.73 37.98 3bim h TYR 58 CO 0.00 0.65 -0.20 0.66 -1.64 0.00 0.00 178.16 177.64 3bim h SER 59 N 0.95 0.41 0.57 -2.11 4.64 0.22 -3.01 113.55 115.22 3bim h SER 59 Ca 0.25 -0.12 -0.03 0.00 -0.47 0.00 0.00 61.79 61.42 3bim h SER 59 Cb 0.01 -0.11 0.01 0.00 -0.31 0.00 0.00 62.40 62.00 3bim h SER 59 CO -0.04 0.62 -0.27 0.40 -0.87 0.00 0.00 176.83 176.66 3bim h ILE 60 N 0.38 0.16 0.00 0.95 2.04 -0.83 -3.21 117.51 117.00 3bim h ILE 60 Ca 0.06 -0.42 0.00 0.00 1.00 0.00 0.00 64.86 65.50 3bim h ILE 60 Cb 0.57 0.23 0.00 0.00 -0.74 0.00 0.00 36.82 36.87 3bim h ILE 60 CO 0.04 0.03 0.00 0.49 0.00 0.00 0.00 178.15 178.71 3bim n PHE 61 N -5.30 0.00 0.53 1.37 3.01 -0.09 -1.88 117.46 115.10 3bim n PHE 61 Ca -0.11 0.00 0.06 0.00 1.01 0.00 0.00 57.45 58.42 3bim n PHE 61 Cb 0.33 0.00 -0.08 0.00 -0.01 0.00 0.00 39.48 39.71 3bim n PHE 61 CO 0.00 0.00 0.00 -2.37 1.01 0.00 0.00 176.76 175.40 3bim n THR 62 N -0.77 0.00 -2.36 4.37 5.66 -1.14 -4.24 114.28 115.80 3bim n THR 62 Ca 0.10 -0.20 -0.43 0.00 -3.05 0.00 0.00 64.05 60.47 3bim n THR 62 Cb 0.05 0.86 -0.02 0.00 -1.55 0.00 0.00 70.33 69.67 3bim n THR 62 CO 0.00 0.00 0.00 -0.62 -3.05 0.00 0.00 175.07 171.40 3bim s ASP 63 N -2.50 6.57 0.45 1.09 -1.08 -0.79 -4.95 116.67 115.46 3bim s ASP 63 Ca 0.03 1.22 0.19 0.00 -0.52 0.00 0.00 52.55 53.47 3bim s ASP 63 Cb 0.10 -2.54 1.15 0.00 -1.46 0.00 0.00 42.92 40.17 3bim s ASP 63 CO 0.56 -1.17 1.91 0.06 0.52 0.00 0.00 175.17 177.05 3bim h GLN 64 N 9.77 0.31 0.00 4.34 -0.00 -1.87 0.40 115.11 128.06 3bim h GLN 64 Ca -0.28 -0.02 0.00 0.00 -0.00 0.00 0.00 58.65 58.36 3bim h GLN 64 Cb 1.11 -0.07 0.00 0.00 -0.00 0.00 0.00 27.48 28.52 3bim h GLN 64 CO 1.04 0.21 0.00 1.28 -0.00 0.00 0.00 178.83 181.35 3bim n LEU 65 N -4.45 0.00 0.00 0.06 7.99 -1.26 -3.70 117.00 115.64 3bim n LEU 65 Ca 0.15 0.42 0.00 0.00 -0.01 0.00 0.00 56.01 56.58 3bim n LEU 65 Cb 0.63 -0.42 0.00 0.00 -0.11 0.00 0.00 43.42 43.52 3bim n LEU 65 CO 0.33 -0.16 -0.13 0.29 -1.51 0.00 0.00 177.39 176.21 3bim n LYS 66 N -1.42 4.63 -0.26 3.23 5.02 0.11 -4.76 118.16 124.71 3bim n LYS 66 Ca 0.06 0.00 0.05 0.00 -2.02 0.00 0.00 58.31 56.40 3bim n LYS 66 Cb 0.19 -0.60 0.16 0.00 -0.02 0.00 0.00 35.03 34.76 3bim n LYS 66 CO 0.00 0.00 0.00 -0.09 -0.52 0.00 0.00 177.40 176.79 3bim h ARG 67 N 0.00 0.09 -0.63 1.97 2.43 -0.86 -2.65 114.38 114.73 3bim h ARG 67 Ca 0.00 -0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.16 3bim h ARG 67 Cb 0.00 -0.02 0.00 0.00 -0.42 0.00 0.00 29.97 29.53 3bim h ARG 67 CO 0.00 0.06 0.00 0.09 -1.51 0.00 0.00 179.97 178.61 3bim n ASN 68 N -5.37 3.50 -4.77 -3.80 3.02 -1.26 -4.94 115.26 101.64 3bim n ASN 68 Ca 0.14 -2.07 -0.37 0.00 -0.03 0.00 0.00 54.58 52.24 3bim n ASN 68 Cb 0.48 -0.44 -0.00 0.00 -0.61 0.00 0.00 39.78 39.21 3bim n ASN 68 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 3bim s LEU 69 N -1.12 4.01 0.00 3.41 1.02 -1.00 -4.94 118.68 120.05 3bim s LEU 69 Ca 0.42 2.37 0.09 0.00 0.02 0.00 0.00 54.13 57.03 3bim s LEU 69 Cb 0.23 -4.22 0.03 0.00 0.02 0.00 0.00 46.19 42.25 3bim s LEU 69 CO 0.27 -0.97 0.68 -1.54 0.02 0.00 0.00 176.35 174.80 3bim n SER 70 N -0.50 1.41 -3.97 2.29 3.41 -1.26 -4.88 113.62 110.12 3bim n SER 70 Ca 0.07 -1.21 -0.17 0.00 -0.26 0.00 0.00 58.87 57.30 3bim n SER 70 Cb 0.47 0.25 -0.15 0.00 -0.26 0.00 0.00 64.21 64.53 3bim n SER 70 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 3bim s VAL 71 N -1.02 0.54 -0.04 -3.33 1.01 -1.26 -0.87 120.40 115.43 3bim s VAL 71 Ca 0.09 -0.27 -0.00 0.00 0.00 0.00 0.00 61.98 61.80 3bim s VAL 71 Cb 0.07 -0.47 0.03 0.00 0.00 0.00 0.00 36.38 36.01 3bim s VAL 71 CO 0.17 0.16 -0.00 -0.63 0.00 0.00 0.00 175.10 174.80 3bim s ILE 72 N -0.01 0.24 -0.21 2.22 -1.09 0.30 -4.93 121.20 117.72 3bim s ILE 72 Ca 0.01 0.09 -0.14 0.00 -2.23 0.00 0.00 60.65 58.38 3bim s ILE 72 Cb -0.04 -0.35 -0.04 0.00 -1.58 0.00 0.00 42.46 40.44 3bim s ILE 72 CO -0.00 0.18 0.31 0.20 -1.23 0.00 0.00 174.94 174.40 3bim s ASN 73 N 1.29 6.33 0.85 3.58 0.01 -1.26 -0.79 114.94 124.95 3bim s ASN 73 Ca -0.06 0.37 -0.11 0.00 -0.71 0.00 0.00 52.86 52.36 3bim s ASN 73 Cb -0.13 -2.18 0.15 0.00 0.41 0.00 0.00 41.25 39.49 3bim s ASN 73 CO -0.02 -0.01 1.19 -0.76 -1.51 0.00 0.00 177.10 175.98 3bim s LEU 74 N 1.15 2.77 -0.07 0.60 1.43 -0.54 -4.96 118.68 119.05 3bim s LEU 74 Ca 0.15 0.22 -0.38 0.00 -1.03 0.00 0.00 54.13 53.09 3bim s LEU 74 Cb -0.14 -2.47 -0.16 0.00 0.03 0.00 0.00 46.19 43.45 3bim s LEU 74 CO 0.06 -2.27 1.57 -0.67 0.23 0.00 0.00 176.35 175.28 3bim n ASP 75 N -3.38 2.24 -0.26 2.29 -0.08 -1.26 -4.86 116.55 111.23 3bim n ASP 75 Ca 0.13 1.08 0.15 0.00 -1.51 0.00 0.00 54.79 54.64 3bim n ASP 75 Cb 0.60 -1.21 0.42 0.00 2.34 0.00 0.00 41.12 43.28 3bim n ASP 75 CO 0.00 0.00 0.00 1.55 0.12 0.00 0.00 177.20 178.87 3bim h PRO 76 N 6.18 0.57 0.00 -0.67 0.13 -1.95 1.00 132.00 137.26 3bim h PRO 76 Ca -0.47 -0.03 0.00 0.00 -0.87 0.00 0.00 66.00 64.63 3bim h PRO 76 Cb 1.32 -0.13 0.00 0.00 0.13 0.00 0.00 31.00 32.32 3bim h PRO 76 CO 0.88 0.38 0.14 -1.91 -0.23 0.00 0.00 178.00 177.25 3bim n GLU 77 N -4.56 0.11 -2.89 0.86 4.07 -1.26 -4.75 120.64 112.22 3bim n GLU 77 Ca 0.18 0.59 -0.40 0.00 -0.06 0.00 0.00 57.16 57.47 3bim n GLU 77 Cb 0.56 -2.00 -0.05 0.00 -0.06 0.00 0.00 31.44 29.89 3bim n GLU 77 CO 0.00 0.00 0.00 0.42 -0.06 0.00 0.00 177.13 177.49 3bim s ILE 78 N -3.41 4.69 -0.06 6.31 -1.09 0.34 -5.04 121.20 122.94 3bim s ILE 78 Ca -0.02 1.78 -0.30 0.00 -2.23 0.00 0.00 60.65 59.89 3bim s ILE 78 Cb 0.05 -4.19 -0.03 0.00 -1.58 0.00 0.00 42.46 36.71 3bim s ILE 78 CO 0.15 0.33 1.11 0.21 -1.23 0.00 0.00 174.94 175.51 3bim s ASN 79 N 0.08 7.15 0.41 3.58 3.84 -1.26 -4.64 114.94 124.09 3bim s ASN 79 Ca 0.42 1.71 0.13 0.00 0.21 0.00 0.00 52.86 55.33 3bim s ASN 79 Cb -0.21 -2.56 0.87 0.00 -0.55 0.00 0.00 41.25 38.80 3bim s ASN 79 CO 0.25 -0.50 1.92 -0.65 -2.79 0.00 0.00 177.10 175.33 3bim h PRO 80 N 7.23 0.01 0.01 0.43 0.11 -1.97 -1.65 132.00 136.18 3bim h PRO 80 Ca -0.34 -0.00 -0.21 0.00 0.11 0.00 0.00 66.00 65.56 3bim h PRO 80 Cb 1.16 -0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.26 3bim h PRO 80 CO 0.86 0.27 -0.93 1.49 -0.21 0.00 0.00 178.00 179.48 3bim h GLU 81 N 0.01 0.26 -0.01 1.05 4.81 -1.97 -2.21 114.58 116.53 3bim h GLU 81 Ca -0.00 -0.30 -0.00 0.00 -0.13 0.00 0.00 59.36 58.93 3bim h GLU 81 Cb 0.47 0.09 -0.00 0.00 0.63 0.00 0.00 28.75 29.94 3bim h GLU 81 CO 0.03 1.02 0.00 0.78 -0.73 0.00 0.00 179.01 180.12 3bim h GLY 82 N 1.68 0.01 1.38 1.92 0.00 -1.74 -2.48 103.07 103.84 3bim h GLY 82 Ca -0.06 -0.00 -0.05 0.00 0.00 0.00 0.00 47.33 47.21 3bim h GLY 82 CO 0.15 0.00 0.08 -2.75 0.00 0.00 0.00 176.54 174.02 3bim h PHE 83 N -0.10 0.80 -0.77 5.60 3.57 -1.36 -1.74 116.94 122.94 3bim h PHE 83 Ca 0.00 -0.08 -0.01 0.00 3.53 0.00 0.00 57.97 61.41 3bim h PHE 83 Cb 0.11 -0.23 -0.04 0.00 2.79 0.00 0.00 35.95 38.58 3bim h PHE 83 CO -0.04 0.70 0.43 -0.97 -2.23 0.00 0.00 178.31 176.20 3bim h ASN 84 N 0.73 0.94 -0.23 0.41 -0.73 -1.33 0.30 115.58 115.68 3bim h ASN 84 Ca 0.16 -0.07 -0.08 0.00 1.87 0.00 0.00 56.30 58.18 3bim h ASN 84 Cb 0.33 -0.24 -0.01 0.00 0.27 0.00 0.00 38.32 38.68 3bim h ASN 84 CO 0.00 0.74 -0.15 0.40 -0.37 0.00 0.00 177.43 178.06 3bim h ILE 85 N 1.07 1.31 -0.59 2.57 2.04 -0.96 -0.81 117.51 122.14 3bim h ILE 85 Ca 0.27 -1.26 -0.04 0.00 1.00 0.00 0.00 64.86 64.84 3bim h ILE 85 Cb 0.00 1.63 -0.03 0.00 -0.74 0.00 0.00 36.82 37.69 3bim h ILE 85 CO -0.05 0.39 0.23 -0.07 0.00 0.00 0.00 178.15 178.65 3bim h LEU 86 N 0.21 0.83 -0.83 1.44 3.38 -1.24 -1.63 115.31 117.47 3bim h LEU 86 Ca 0.05 -0.18 -0.02 0.00 0.09 0.00 0.00 57.88 57.82 3bim h LEU 86 Cb 0.67 -0.21 -0.04 0.00 0.09 0.00 0.00 40.66 41.17 3bim h LEU 86 CO 0.04 0.78 0.44 0.25 0.09 0.00 0.00 178.44 180.04 3bim h LEU 87 N 0.82 1.05 -0.94 1.67 5.85 -0.28 -1.00 115.31 122.49 3bim h LEU 87 Ca 0.20 -0.11 -0.08 0.00 0.84 0.00 0.00 57.88 58.72 3bim h LEU 87 Cb 0.22 -0.27 -0.02 0.00 0.37 0.00 0.00 40.66 40.96 3bim h LEU 87 CO -0.01 0.86 -0.13 0.44 -0.34 0.00 0.00 178.44 179.25 3bim h ASP 88 N 1.16 0.61 -0.10 1.25 3.45 -1.02 -2.63 116.42 119.15 3bim h ASP 88 Ca 0.29 -0.18 0.01 0.00 0.43 0.00 0.00 57.03 57.59 3bim h ASP 88 Cb 0.05 -0.17 -0.01 0.00 -0.56 0.00 0.00 39.33 38.64 3bim h ASP 88 CO -0.04 0.77 0.03 0.15 -1.57 0.00 0.00 179.24 178.57 3bim h PHE 89 N 0.57 0.05 -0.68 4.55 3.57 -0.87 -1.15 116.94 122.98 3bim h PHE 89 Ca 0.10 0.01 0.07 0.00 3.53 0.00 0.00 57.97 61.68 3bim h PHE 89 Cb 0.56 -0.01 -0.04 0.00 2.79 0.00 0.00 35.95 39.25 3bim h PHE 89 CO 0.02 0.02 0.45 0.52 -2.23 0.00 0.00 178.31 177.09 3bim h MET 90 N 0.07 0.62 -0.00 1.11 2.86 -0.83 0.27 114.93 119.04 3bim h MET 90 Ca 0.04 -0.04 0.00 0.00 -2.06 0.00 0.00 59.70 57.65 3bim h MET 90 Cb 0.03 -0.14 0.00 0.00 0.06 0.00 0.00 31.60 31.55 3bim h MET 90 CO -0.05 0.41 -0.25 0.66 1.06 0.00 0.00 176.91 178.74 3bim n TYR 91 N -4.48 0.00 0.00 -0.22 4.02 -1.06 -4.62 117.16 110.81 3bim n TYR 91 Ca 0.10 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.99 3bim n TYR 91 Cb 0.27 -0.20 0.00 0.00 -0.02 0.00 0.00 39.34 39.39 3bim n TYR 91 CO 0.00 0.00 0.00 0.25 -1.01 0.00 0.00 176.86 176.10 3bim n THR 92 N -0.99 0.00 0.00 -0.72 -2.24 0.01 -4.61 114.28 105.72 3bim n THR 92 Ca 0.11 -0.01 0.00 0.00 -2.27 0.00 0.00 64.05 61.88 3bim n THR 92 Cb 0.32 0.37 0.00 0.00 -2.10 0.00 0.00 70.33 68.92 3bim n THR 92 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 3bim n SER 93 N -0.07 0.00 -4.54 3.42 7.64 0.75 -5.01 113.62 115.82 3bim n SER 93 Ca 0.00 0.00 -0.42 0.00 1.01 0.00 0.00 58.87 59.46 3bim n SER 93 Cb 0.00 0.00 -0.08 0.00 -1.01 0.00 0.00 64.21 63.12 3bim n SER 93 CO 0.00 0.00 0.00 -0.13 -3.01 0.00 0.00 175.04 171.90 3bim s ARG 94 N -0.14 3.50 -0.47 1.43 3.00 -1.26 -5.00 118.95 120.01 3bim s ARG 94 Ca 0.00 -0.28 -0.22 0.00 0.00 0.00 0.00 55.73 55.23 3bim s ARG 94 Cb 0.00 -3.85 0.03 0.00 0.00 0.00 0.00 34.95 31.13 3bim s ARG 94 CO 0.00 -0.72 0.73 -1.17 0.00 0.00 0.00 175.30 174.14 3bim s LEU 95 N 2.41 4.43 -0.94 2.53 2.96 -1.26 -3.95 118.68 124.85 3bim s LEU 95 Ca 0.18 -0.34 -0.19 0.00 -0.22 0.00 0.00 54.13 53.56 3bim s LEU 95 Cb -0.15 -2.79 0.13 0.00 0.50 0.00 0.00 46.19 43.88 3bim s LEU 95 CO 0.14 -0.90 1.15 0.20 -1.32 0.00 0.00 176.35 175.62 3bim s ASN 96 N 2.24 6.62 -0.19 3.68 0.02 -1.26 -5.03 114.94 121.04 3bim s ASN 96 Ca 0.25 -2.01 -0.14 0.00 -1.02 0.00 0.00 52.86 49.94 3bim s ASN 96 Cb -0.14 -2.41 -0.04 0.00 0.02 0.00 0.00 41.25 38.68 3bim s ASN 96 CO 0.19 -1.09 0.30 -0.76 0.02 0.00 0.00 177.10 175.76 3bim s LEU 97 N 2.83 4.20 0.34 0.60 1.43 -1.26 -5.01 118.68 121.81 3bim s LEU 97 Ca 0.34 0.45 0.08 0.00 -1.03 0.00 0.00 54.13 53.97 3bim s LEU 97 Cb -0.04 -2.37 -0.04 0.00 0.03 0.00 0.00 46.19 43.76 3bim s LEU 97 CO -0.09 0.04 0.15 -0.13 0.23 0.00 0.00 176.35 176.55 3bim s ARG 98 N 0.80 2.41 0.23 1.70 0.52 -1.26 -5.00 118.95 118.35 3bim s ARG 98 Ca 0.16 -1.52 -0.00 0.00 -0.52 0.00 0.00 55.73 53.85 3bim s ARG 98 Cb -0.13 -2.20 0.24 0.00 0.52 0.00 0.00 34.95 33.37 3bim s ARG 98 CO 0.05 0.12 1.60 0.93 0.02 0.00 0.00 175.30 178.03 3bim h GLU 99 N 1.53 0.52 -0.51 3.54 5.08 -2.01 -2.17 114.58 120.57 3bim h GLU 99 Ca -0.44 -0.26 -0.09 0.00 -1.00 0.00 0.00 59.36 57.57 3bim h GLU 99 Cb 1.25 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.49 3bim h GLU 99 CO 0.63 0.84 -0.03 0.78 -1.00 0.00 0.00 179.01 180.22 3bim h GLY 100 N 1.08 0.95 0.00 -3.84 0.00 -2.03 -3.39 103.07 95.84 3bim h GLY 100 Ca 0.04 -0.68 -0.35 0.00 0.00 0.00 0.00 47.33 46.34 3bim h GLY 100 CO 0.08 0.62 -2.31 1.16 0.00 0.00 0.00 176.54 176.09 3bim n ASN 101 N -4.19 0.62 -0.47 0.19 0.23 -1.23 -4.70 115.26 105.71 3bim n ASN 101 Ca 0.02 -0.02 0.37 0.00 -0.53 0.00 0.00 54.58 54.43 3bim n ASN 101 Cb 0.33 0.75 0.60 0.00 -2.08 0.00 0.00 39.78 39.39 3bim n ASN 101 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 3bim n ILE 102 N -2.78 -0.10 0.08 1.53 0.00 -0.82 -0.96 119.36 116.31 3bim n ILE 102 Ca -0.33 1.32 -0.12 0.00 0.00 0.00 0.00 62.75 63.62 3bim n ILE 102 Cb 1.09 -2.17 -0.05 0.00 0.00 0.00 0.00 39.64 38.50 3bim n ILE 102 CO 0.00 0.00 0.00 0.24 0.00 0.00 0.00 176.55 176.79 3bim h MET 103 N 0.00 -0.48 0.13 9.51 2.86 -1.85 -2.43 114.93 122.67 3bim h MET 103 Ca 0.73 0.03 -0.29 0.00 -2.06 0.00 0.00 59.70 58.11 3bim h MET 103 Cb 2.65 0.11 0.00 0.00 0.06 0.00 0.00 31.60 34.42 3bim h MET 103 CO -0.19 -0.32 -1.36 0.00 1.06 0.00 0.00 176.91 176.10 3bim h ALA 104 N 0.21 0.17 -0.68 6.32 0.00 -1.41 -3.00 119.26 120.86 3bim h ALA 104 Ca 0.05 -0.98 0.12 0.00 0.00 0.00 0.00 54.91 54.10 3bim h ALA 104 Cb 0.56 0.12 -0.12 0.00 0.00 0.00 0.00 17.79 18.35 3bim h ALA 104 CO -0.23 1.04 -0.33 0.28 0.00 0.00 0.00 179.25 180.01 3bim h VAL 105 N 0.07 0.15 -0.64 0.00 2.07 -1.50 0.12 116.25 116.52 3bim h VAL 105 Ca -0.18 0.00 -0.07 0.00 0.82 0.00 0.00 66.70 67.27 3bim h VAL 105 Cb 1.99 0.15 -0.03 0.00 -1.52 0.00 0.00 31.29 31.89 3bim h VAL 105 CO 0.19 0.00 0.14 -0.03 0.02 0.00 0.00 177.57 177.89 3bim h MET 106 N -0.12 1.03 -0.43 1.57 -1.53 -1.43 -0.82 114.93 113.20 3bim h MET 106 Ca 0.27 -0.24 -0.06 0.00 -3.44 0.00 0.00 59.70 56.23 3bim h MET 106 Cb 0.56 -0.14 -0.02 0.00 -0.55 0.00 0.00 31.60 31.45 3bim h MET 106 CO -0.74 0.92 0.03 0.00 0.14 0.00 0.00 176.91 177.25 3bim h ALA 107 N 1.17 1.24 0.17 0.39 0.00 -1.18 -1.26 119.26 119.79 3bim h ALA 107 Ca 0.20 -0.23 -0.01 0.00 0.00 0.00 0.00 54.91 54.88 3bim h ALA 107 Cb 0.37 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 17.98 3bim h ALA 107 CO 0.00 0.51 -0.08 1.15 0.00 0.00 0.00 179.25 180.83 3bim h THR 108 N 0.65 0.95 -0.75 0.00 2.02 -0.36 -0.18 112.91 115.25 3bim h THR 108 Ca 0.14 -0.74 0.12 0.00 0.77 0.00 0.00 66.41 66.69 3bim h THR 108 Cb 0.37 1.39 -0.08 0.00 -1.74 0.00 0.00 68.15 68.09 3bim h THR 108 CO 0.01 0.17 0.35 0.00 0.37 0.00 0.00 175.52 176.42 3bim h ALA 109 N 0.14 1.05 -0.15 6.16 0.00 -1.05 0.63 119.26 126.05 3bim h ALA 109 Ca -0.02 0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.97 3bim h ALA 109 Cb 0.45 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.23 3bim h ALA 109 CO 0.04 -0.10 0.09 1.98 0.00 0.00 0.00 179.25 181.26 3bim h MET 110 N 0.56 0.20 -0.86 0.00 -1.53 -1.19 0.32 114.93 112.42 3bim h MET 110 Ca 0.39 -0.01 0.01 0.00 -3.44 0.00 0.00 59.70 56.64 3bim h MET 110 Cb 0.49 -0.04 -0.04 0.00 -0.55 0.00 0.00 31.60 31.46 3bim h MET 110 CO -0.33 0.15 0.57 -0.92 0.14 0.00 0.00 176.91 176.52 3bim h TYR 111 N 0.18 1.09 -0.05 1.39 3.20 0.92 -1.46 116.97 122.24 3bim h TYR 111 Ca 0.05 0.02 0.00 0.00 3.14 0.00 0.00 58.73 61.95 3bim h TYR 111 Cb -0.00 -0.37 0.00 0.00 1.54 0.00 0.00 36.73 37.90 3bim h TYR 111 CO -0.06 0.68 0.00 1.28 -1.64 0.00 0.00 178.16 178.42 3bim n LEU 112 N -4.48 0.60 -2.75 2.82 4.77 0.20 -4.83 117.00 113.33 3bim n LEU 112 Ca 0.09 -0.24 -0.19 0.00 -0.03 0.00 0.00 56.01 55.64 3bim n LEU 112 Cb 0.01 -0.03 0.04 0.00 -2.33 0.00 0.00 43.42 41.12 3bim n LEU 112 CO 0.36 0.12 0.07 0.00 -1.33 0.00 0.00 177.39 176.62 3bim n GLN 113 N -0.42 -5.03 -3.43 3.23 6.02 0.95 -3.93 117.38 114.77 3bim n GLN 113 Ca 0.16 0.74 -0.37 0.00 -0.01 0.00 0.00 57.00 57.53 3bim n GLN 113 Cb 0.17 -5.33 -0.05 0.00 1.02 0.00 0.00 30.24 26.05 3bim n GLN 113 CO 0.00 0.00 0.00 -1.33 -1.01 0.00 0.00 177.06 174.72 3bim n MET 114 N -3.78 3.11 -0.31 -1.09 2.81 -0.10 -4.49 117.12 113.27 3bim n MET 114 Ca -0.06 -4.53 0.04 0.00 -1.81 0.00 0.00 57.70 51.34 3bim n MET 114 Cb 0.58 -2.42 0.24 0.00 -0.71 0.00 0.00 33.22 30.92 3bim n MET 114 CO 0.00 0.00 0.00 0.93 1.51 0.00 0.00 175.97 178.41 3bim h GLU 115 N 5.56 0.99 -0.73 0.03 3.07 -1.93 -1.75 114.58 119.81 3bim h GLU 115 Ca 0.18 -0.06 0.21 0.00 -0.50 0.00 0.00 59.36 59.19 3bim h GLU 115 Cb 0.74 -0.22 -0.03 0.00 -0.84 0.00 0.00 28.75 28.40 3bim h GLU 115 CO 0.98 0.66 0.62 1.12 -1.40 0.00 0.00 179.01 180.98 3bim h HIS 116 N 1.02 0.00 0.00 4.33 2.07 -1.98 0.33 115.15 120.92 3bim h HIS 116 Ca 0.40 0.00 -0.06 0.00 -2.85 0.00 0.00 60.37 57.86 3bim h HIS 116 Cb 0.23 0.00 -0.01 0.00 2.57 0.00 0.00 27.41 30.21 3bim h HIS 116 CO -0.00 0.00 -0.36 0.28 -3.07 0.00 0.00 177.93 174.78 3bim h VAL 117 N 0.00 1.38 -0.96 6.12 2.07 -1.73 -2.94 116.25 120.18 3bim h VAL 117 Ca 0.35 -2.17 0.11 0.00 0.82 0.00 0.00 66.70 65.81 3bim h VAL 117 Cb 1.58 2.74 -0.13 0.00 -1.52 0.00 0.00 31.29 33.95 3bim h VAL 117 CO -0.00 0.47 -0.49 0.52 0.02 0.00 0.00 177.57 178.08 3bim n VAL 118 N -4.57 -0.60 0.12 2.57 0.31 -0.45 -0.94 118.33 114.77 3bim n VAL 118 Ca -0.15 2.30 0.12 0.00 -0.01 0.00 0.00 64.34 66.60 3bim n VAL 118 Cb 0.50 -2.92 0.62 0.00 -0.91 0.00 0.00 33.84 31.13 3bim n VAL 118 CO 0.00 0.00 0.00 0.44 -1.32 0.00 0.00 176.83 175.95 3bim h ASP 119 N 0.00 0.08 1.05 4.52 5.19 -0.50 -0.68 116.42 126.08 3bim h ASP 119 Ca 0.23 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.64 3bim h ASP 119 Cb 0.47 -0.02 0.00 0.00 0.18 0.00 0.00 39.33 39.96 3bim h ASP 119 CO -0.93 0.05 -0.41 0.41 -3.12 0.00 0.00 179.24 175.24 3bim n THR 120 N -4.48 0.42 -0.03 0.35 -1.04 -0.11 -0.72 114.28 108.67 3bim n THR 120 Ca 0.03 -0.27 -0.14 0.00 -2.04 0.00 0.00 64.05 61.63 3bim n THR 120 Cb 0.28 -0.27 -0.10 0.00 -1.82 0.00 0.00 70.33 68.43 3bim n THR 120 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 3bim h ARG 122 N -0.28 -0.56 0.00 0.00 3.08 -1.37 -2.28 114.38 112.98 3bim h ARG 122 Ca -0.01 0.04 0.00 0.00 0.07 0.00 0.00 59.98 60.08 3bim h ARG 122 Cb 0.85 0.13 0.00 0.00 0.08 0.00 0.00 29.97 31.03 3bim h ARG 122 CO 0.04 -0.30 0.00 1.17 -1.07 0.00 0.00 179.97 179.81 3bim n LYS 123 N -5.29 0.00 -0.04 0.04 4.81 0.10 -1.90 118.16 115.88 3bim n LYS 123 Ca -0.11 0.00 -0.07 0.00 -0.87 0.00 0.00 58.31 57.26 3bim n LYS 123 Cb 0.27 -1.00 -0.04 0.00 0.02 0.00 0.00 35.03 34.28 3bim n LYS 123 CO 0.00 0.00 0.00 0.34 1.17 0.00 0.00 177.40 178.91 3bim n PHE 124 N -0.48 0.00 -0.23 5.64 7.35 -0.89 -4.40 117.46 124.45 3bim n PHE 124 Ca 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.69 3bim n PHE 124 Cb 0.00 -0.32 0.00 0.00 0.35 0.00 0.00 39.48 39.51 3bim n PHE 124 CO 0.00 0.00 0.00 0.44 -0.76 0.00 0.00 176.76 176.44 3bim n ILE 125 N -2.89 1.15 -0.09 -2.13 -5.35 -0.80 -1.64 119.36 107.61 3bim n ILE 125 Ca -0.15 -0.28 -0.17 0.00 -0.27 0.00 0.00 62.75 61.89 3bim n ILE 125 Cb 0.65 -1.26 -0.09 0.00 -1.74 0.00 0.00 39.64 37.20 3bim n ILE 125 CO 0.00 0.00 0.00 0.11 -1.76 0.00 0.00 176.55 174.90 3bim h LYS 126 N 2.09 0.00 -4.16 6.28 1.57 -1.76 -3.39 116.57 117.19 3bim h LYS 126 Ca 0.00 0.00 -0.52 0.00 -1.87 0.00 0.00 60.65 58.26 3bim h LYS 126 Cb 0.60 0.00 0.04 0.00 0.08 0.00 0.00 32.23 32.95 3bim h LYS 126 CO 0.00 0.76 2.24 0.00 -0.57 0.00 0.00 179.45 181.88 3bim n ALA 127 N -3.34 3.41 -2.40 3.86 0.00 -0.65 -4.78 120.51 116.61 3bim n ALA 127 Ca -0.23 -2.64 -0.08 0.00 0.00 0.00 0.00 53.44 50.49 3bim n ALA 127 Cb 0.54 -3.37 -0.10 0.00 0.00 0.00 0.00 19.45 16.52 3bim n ALA 127 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 3bim s SER 128 N 4.66 0.47 0.00 0.00 0.15 -1.26 -5.07 113.70 112.64 3bim s SER 128 Ca 0.49 -0.83 0.00 0.00 0.70 0.00 0.00 55.95 56.31 3bim s SER 128 Cb 0.12 0.16 0.00 0.00 -1.71 0.00 0.00 66.02 64.59 3bim s SER 128 CO 0.08 -0.48 0.00 -1.84 1.20 0.00 0.00 173.24 172.20