#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 6.28 0.19 0.00 2.15 -1.26 -5.08 116.67 118.95 3bim s ASP 6 Ca 0.00 0.95 -0.23 0.00 0.43 0.00 0.00 52.55 53.70 3bim s ASP 6 Cb 0.00 -2.26 0.05 0.00 -0.30 0.00 0.00 42.92 40.42 3bim s ASP 6 CO 0.00 -0.57 0.70 -0.55 -0.17 0.00 0.00 175.17 174.59 3bim s SER 7 N -4.03 -0.40 -0.30 -0.34 0.15 -1.26 -5.14 113.70 102.39 3bim s SER 7 Ca 0.48 -0.27 -0.06 0.00 0.70 0.00 0.00 55.95 56.80 3bim s SER 7 Cb -0.10 0.62 0.17 0.00 -1.71 0.00 0.00 66.02 64.99 3bim s SER 7 CO 0.44 -1.07 0.67 -1.58 1.20 0.00 0.00 173.24 172.90 3bim s GLN 8 N -3.71 0.53 -0.23 5.44 -0.44 -1.26 -5.16 119.66 114.83 3bim s GLN 8 Ca 0.06 1.12 -0.09 0.00 -2.50 0.00 0.00 55.36 53.95 3bim s GLN 8 Cb -0.03 0.65 -0.04 0.00 -1.64 0.00 0.00 33.01 31.95 3bim s GLN 8 CO -0.04 -0.40 0.12 0.42 0.50 0.00 0.00 175.29 175.89 3bim s ILE 9 N 2.85 5.02 -0.28 -2.34 1.01 -1.26 -5.08 121.20 121.13 3bim s ILE 9 Ca 0.08 0.06 -0.10 0.00 0.00 0.00 0.00 60.65 60.69 3bim s ILE 9 Cb -0.13 -3.33 -0.04 0.00 0.01 0.00 0.00 42.46 38.98 3bim s ILE 9 CO -0.19 0.37 0.17 -1.10 0.00 0.00 0.00 174.94 174.18 3bim s GLN 10 N 1.01 3.78 -0.36 2.79 -0.21 -1.26 -5.05 119.66 120.36 3bim s GLN 10 Ca 0.06 -0.42 -0.28 0.00 0.02 0.00 0.00 55.36 54.73 3bim s GLN 10 Cb -0.14 -3.60 0.02 0.00 1.00 0.00 0.00 33.01 30.30 3bim s GLN 10 CO 0.04 -0.23 1.06 -0.06 -2.12 0.00 0.00 175.29 173.98 3bim s PHE 11 N 1.71 3.07 -0.25 0.91 0.40 -1.26 -4.93 117.98 117.63 3bim s PHE 11 Ca 0.07 1.02 0.18 0.00 -0.60 0.00 0.00 56.93 57.60 3bim s PHE 11 Cb -0.16 -3.84 0.13 0.00 0.51 0.00 0.00 43.02 39.66 3bim s PHE 11 CO 0.09 -0.88 1.42 1.79 0.70 0.00 0.00 175.22 178.34 3bim h THR 12 N 5.85 0.49 -0.57 0.64 1.35 -2.06 -3.15 112.91 115.46 3bim h THR 12 Ca -0.21 -1.72 0.00 0.00 -0.55 0.00 0.00 66.41 63.93 3bim h THR 12 Cb 1.06 2.19 0.00 0.00 -1.73 0.00 0.00 68.15 69.67 3bim h THR 12 CO 1.04 0.28 0.00 -2.11 -0.25 0.00 0.00 175.52 174.48 3bim n ARG 13 N -3.12 4.09 -0.03 4.72 1.85 -1.26 -4.58 116.66 118.33 3bim n ARG 13 Ca 0.02 -2.80 -0.13 0.00 -1.00 0.00 0.00 57.85 53.93 3bim n ARG 13 Cb 0.66 -2.04 -0.11 0.00 -1.05 0.00 0.00 32.46 29.93 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 3.78 -0.01 -1.00 2.89 2.76 -1.97 -2.03 115.15 119.56 3bim h HIS 14 Ca 0.00 -0.00 0.20 0.00 -2.20 0.00 0.00 60.37 58.37 3bim h HIS 14 Cb 1.62 0.00 -0.11 0.00 1.55 0.00 0.00 27.41 30.48 3bim h HIS 14 CO 0.87 0.69 0.61 0.00 -1.30 0.00 0.00 177.93 178.80 3bim h ALA 15 N 0.23 1.74 -0.27 5.26 0.00 -1.81 0.72 119.26 125.14 3bim h ALA 15 Ca -0.00 0.08 -0.12 0.00 0.00 0.00 0.00 54.91 54.87 3bim h ALA 15 Cb 0.71 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 18.44 3bim h ALA 15 CO 0.00 -0.13 -0.31 1.03 0.00 0.00 0.00 179.25 179.84 3bim h SER 16 N 0.70 0.74 0.21 0.00 0.87 -1.84 -0.95 113.55 113.28 3bim h SER 16 Ca 0.59 -0.49 -0.15 0.00 -1.23 0.00 0.00 61.79 60.51 3bim h SER 16 Cb 1.00 -0.21 -0.01 0.00 -0.44 0.00 0.00 62.40 62.74 3bim h SER 16 CO -0.39 1.08 -0.56 0.44 -0.53 0.00 0.00 176.83 176.87 3bim h ASP 17 N 0.41 0.40 0.32 6.23 3.32 -0.46 -1.01 116.42 125.63 3bim h ASP 17 Ca 0.04 -0.22 -0.02 0.00 0.02 0.00 0.00 57.03 56.85 3bim h ASP 17 Cb 0.89 -0.12 0.00 0.00 0.22 0.00 0.00 39.33 40.32 3bim h ASP 17 CO 0.08 0.88 -0.16 0.58 -1.72 0.00 0.00 179.24 178.90 3bim h VAL 18 N 0.28 0.68 -0.49 -1.35 2.07 -0.71 -1.43 116.25 115.30 3bim h VAL 18 Ca 0.00 0.00 0.05 0.00 0.82 0.00 0.00 66.70 67.57 3bim h VAL 18 Cb 1.06 0.68 -0.05 0.00 -1.52 0.00 0.00 31.29 31.47 3bim h VAL 18 CO 0.09 0.00 0.22 0.25 0.02 0.00 0.00 177.57 178.16 3bim h LEU 19 N -0.43 0.29 -0.28 2.57 5.85 -1.09 0.40 115.31 122.62 3bim h LEU 19 Ca -0.04 0.04 0.05 0.00 0.84 0.00 0.00 57.88 58.77 3bim h LEU 19 Cb 0.34 -0.01 -0.05 0.00 0.37 0.00 0.00 40.66 41.31 3bim h LEU 19 CO 0.07 0.20 -0.04 0.25 -0.34 0.00 0.00 178.44 178.58 3bim h LEU 20 N 0.44 -0.20 -1.01 2.25 5.85 -1.16 -0.59 115.31 120.90 3bim h LEU 20 Ca 0.22 0.08 -0.09 0.00 0.84 0.00 0.00 57.88 58.93 3bim h LEU 20 Cb 0.17 0.15 -0.01 0.00 0.37 0.00 0.00 40.66 41.34 3bim h LEU 20 CO -0.18 -0.06 -0.21 0.78 -0.34 0.00 0.00 178.44 178.42 3bim h ASN 21 N 0.03 0.46 -0.87 1.25 2.35 -0.55 -2.06 115.58 116.20 3bim h ASN 21 Ca 0.14 -0.14 -0.02 0.00 -0.55 0.00 0.00 56.30 55.73 3bim h ASN 21 Cb 0.20 -0.12 -0.04 0.00 0.05 0.00 0.00 38.32 38.40 3bim h ASN 21 CO -0.26 0.68 0.48 -0.07 -1.65 0.00 0.00 177.43 176.60 3bim h LEU 22 N 0.41 1.09 -1.03 1.61 3.38 0.40 -1.50 115.31 119.67 3bim h LEU 22 Ca 0.07 -0.10 -0.10 0.00 0.09 0.00 0.00 57.88 57.84 3bim h LEU 22 Cb 0.60 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 41.07 3bim h LEU 22 CO 0.04 0.87 -0.36 -1.13 0.09 0.00 0.00 178.44 177.96 3bim h ASN 23 N 1.21 0.24 -0.25 -0.43 -0.00 -0.80 -1.51 115.58 114.05 3bim h ASN 23 Ca 0.31 -0.09 -0.13 0.00 -0.00 0.00 0.00 56.30 56.39 3bim h ASN 23 Cb 0.03 -0.07 -0.01 0.00 -0.00 0.00 0.00 38.32 38.27 3bim h ASN 23 CO -0.05 0.59 -0.29 0.03 -0.00 0.00 0.00 177.43 177.71 3bim h ARG 24 N 0.20 0.75 -0.63 6.67 2.47 -0.97 -0.46 114.38 122.41 3bim h ARG 24 Ca 0.02 -0.33 0.02 0.00 -1.26 0.00 0.00 59.98 58.44 3bim h ARG 24 Cb 0.73 -0.02 -0.04 0.00 -1.65 0.00 0.00 29.97 29.00 3bim h ARG 24 CO 0.06 0.95 0.39 -0.07 0.56 0.00 0.00 179.97 181.86 3bim h LEU 25 N 0.64 0.65 -0.40 3.04 3.38 -0.97 0.13 115.31 121.79 3bim h LEU 25 Ca 0.08 -0.00 -0.03 0.00 0.09 0.00 0.00 57.88 58.01 3bim h LEU 25 Cb 0.81 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 41.40 3bim h LEU 25 CO 0.07 0.46 0.13 -0.09 0.09 0.00 0.00 178.44 179.09 3bim h ARG 26 N 0.78 0.62 0.00 1.13 2.43 -1.06 0.27 114.38 118.55 3bim h ARG 26 Ca 0.25 -0.13 0.00 0.00 -0.81 0.00 0.00 59.98 59.29 3bim h ARG 26 Cb -0.00 -0.09 0.00 0.00 -0.42 0.00 0.00 29.97 29.46 3bim h ARG 26 CO -0.09 0.62 0.00 0.66 -1.51 0.00 0.00 179.97 179.64 3bim h SER 27 N 0.50 0.00 -0.21 -3.80 4.64 -0.56 -1.29 113.55 112.83 3bim h SER 27 Ca 0.13 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.45 3bim h SER 27 Cb 0.26 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.35 3bim h SER 27 CO -0.00 0.00 0.00 0.54 -0.87 0.00 0.00 176.83 176.50 3bim n ARG 28 N -2.90 2.03 -3.10 4.77 1.74 0.42 -4.96 116.66 114.67 3bim n ARG 28 Ca 0.03 -1.54 -0.21 0.00 -0.77 0.00 0.00 57.85 55.36 3bim n ARG 28 Cb 0.43 -1.45 0.04 0.00 -1.02 0.00 0.00 32.46 30.46 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 0.78 -5.79 -4.66 0.55 4.64 -0.09 -4.98 116.55 107.01 3bim n ASP 29 Ca 0.17 -0.32 -0.38 0.00 -1.38 0.00 0.00 54.79 52.88 3bim n ASP 29 Cb 0.45 -4.55 -0.08 0.00 -1.04 0.00 0.00 41.12 35.89 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 -3.17 5.20 -0.17 5.18 1.01 0.76 -4.28 121.20 125.73 3bim s ILE 30 Ca 0.35 0.66 0.00 0.00 0.00 0.00 0.00 60.65 61.66 3bim s ILE 30 Cb -0.15 -3.71 0.00 0.00 0.01 0.00 0.00 42.46 38.60 3bim s ILE 30 CO 0.43 0.23 0.00 0.18 0.00 0.00 0.00 174.94 175.78 3bim n LEU 31 N 4.64 0.52 -4.70 2.97 4.77 -1.26 -4.55 117.00 119.39 3bim n LEU 31 Ca -0.09 0.04 -0.41 0.00 -0.03 0.00 0.00 56.01 55.52 3bim n LEU 31 Cb 0.51 -1.95 0.01 0.00 -2.33 0.00 0.00 43.42 39.66 3bim n LEU 31 CO 0.39 -0.72 0.89 0.35 -1.33 0.00 0.00 177.39 176.97 3bim n THR 32 N -1.48 2.45 -0.46 -5.08 -2.24 -1.26 -4.86 114.28 101.35 3bim n THR 32 Ca -0.02 -0.50 0.00 0.00 -2.27 0.00 0.00 64.05 61.26 3bim n THR 32 Cb 0.37 -1.57 0.00 0.00 -2.10 0.00 0.00 70.33 67.03 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 0.31 0.85 -3.72 3.42 3.85 -0.41 -4.96 116.55 115.89 3bim n ASP 33 Ca 0.06 -1.31 -0.14 0.00 -0.71 0.00 0.00 54.79 52.69 3bim n ASP 33 Cb 0.39 0.00 -0.08 0.00 -1.35 0.00 0.00 41.12 40.08 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 -0.31 0.05 -0.15 2.12 0.11 -1.19 -4.56 120.40 116.48 3bim s VAL 34 Ca 0.00 -0.41 -0.02 0.00 -2.93 0.00 0.00 61.98 58.62 3bim s VAL 34 Cb 0.00 -0.68 -0.02 0.00 -1.53 0.00 0.00 36.38 34.15 3bim s VAL 34 CO 0.00 -0.23 -0.08 -0.69 -3.33 0.00 0.00 175.10 170.78 3bim s VAL 35 N -1.36 3.50 -0.25 2.04 1.01 -0.15 -1.76 120.40 123.43 3bim s VAL 35 Ca -0.13 -0.50 -0.11 0.00 0.00 0.00 0.00 61.98 61.25 3bim s VAL 35 Cb -0.04 -2.51 -0.05 0.00 0.00 0.00 0.00 36.38 33.77 3bim s VAL 35 CO 0.05 0.50 0.16 -0.63 0.00 0.00 0.00 175.10 175.18 3bim s ILE 36 N 0.44 5.33 -0.20 2.22 -1.09 0.04 -1.41 121.20 126.52 3bim s ILE 36 Ca -0.06 0.17 -0.08 0.00 -2.23 0.00 0.00 60.65 58.45 3bim s ILE 36 Cb -0.15 -3.50 -0.04 0.00 -1.58 0.00 0.00 42.46 37.19 3bim s ILE 36 CO 0.04 0.32 0.08 -0.69 -1.23 0.00 0.00 174.94 173.46 3bim s VAL 37 N 1.22 4.76 -0.26 2.92 1.01 -0.03 -0.70 120.40 129.32 3bim s VAL 37 Ca 0.07 -0.04 -0.02 0.00 0.00 0.00 0.00 61.98 61.99 3bim s VAL 37 Cb -0.14 -3.17 0.09 0.00 0.00 0.00 0.00 36.38 33.16 3bim s VAL 37 CO 0.06 0.42 0.09 -0.69 0.00 0.00 0.00 175.10 174.98 3bim s VAL 38 N 0.70 0.49 0.00 2.92 1.01 -0.08 -1.16 120.40 124.28 3bim s VAL 38 Ca 0.04 -0.93 0.00 0.00 0.00 0.00 0.00 61.98 61.09 3bim s VAL 38 Cb -0.13 -1.25 0.00 0.00 0.00 0.00 0.00 36.38 34.99 3bim s VAL 38 CO 0.02 -0.53 0.00 -1.20 0.00 0.00 0.00 175.10 173.39 3bim n SER 39 N 5.03 0.00 -1.24 3.32 7.64 -1.26 -0.59 113.62 126.52 3bim n SER 39 Ca -0.05 0.00 0.08 0.00 1.01 0.00 0.00 58.87 59.91 3bim n SER 39 Cb 0.44 0.00 0.30 0.00 -1.01 0.00 0.00 64.21 63.93 3bim n SER 39 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 3bim n ARG 40 N 4.48 3.48 -4.18 1.43 1.74 -1.26 -4.96 116.66 117.40 3bim n ARG 40 Ca 0.00 -2.76 -0.22 0.00 -0.77 0.00 0.00 57.85 54.10 3bim n ARG 40 Cb 0.00 -1.81 -0.06 0.00 -1.02 0.00 0.00 32.46 29.57 3bim n ARG 40 CO 0.00 0.00 0.00 -1.21 -1.52 0.00 0.00 177.63 174.90 3bim s GLU 41 N -2.10 2.62 -0.03 5.56 2.02 0.25 -5.13 118.70 121.88 3bim s GLU 41 Ca 0.44 -1.25 0.01 0.00 0.02 0.00 0.00 54.97 54.19 3bim s GLU 41 Cb 0.31 -2.37 0.02 0.00 0.10 0.00 0.00 34.13 32.19 3bim s GLU 41 CO 0.17 0.36 -0.02 -0.65 0.02 0.00 0.00 175.26 175.13 3bim s GLN 42 N -3.78 0.49 -0.09 1.61 -0.21 -1.26 -0.90 119.66 115.52 3bim s GLN 42 Ca 0.33 -0.03 0.01 0.00 0.02 0.00 0.00 55.36 55.69 3bim s GLN 42 Cb -0.07 -0.57 0.02 0.00 1.00 0.00 0.00 33.01 33.39 3bim s GLN 42 CO 0.23 -0.07 -0.11 -0.06 -2.12 0.00 0.00 175.29 173.15 3bim s PHE 43 N 0.77 1.59 0.23 0.91 0.40 0.12 -4.93 117.98 117.07 3bim s PHE 43 Ca -0.09 -0.71 -0.19 0.00 -0.60 0.00 0.00 56.93 55.35 3bim s PHE 43 Cb -0.12 -1.21 -0.08 0.00 0.51 0.00 0.00 43.02 42.12 3bim s PHE 43 CO -0.01 -0.41 0.72 1.03 0.70 0.00 0.00 175.22 177.25 3bim s ARG 44 N 1.11 4.21 0.33 0.44 0.52 -1.26 -0.78 118.95 123.53 3bim s ARG 44 Ca -0.06 0.84 -0.13 0.00 -0.52 0.00 0.00 55.73 55.86 3bim s ARG 44 Cb -0.14 -2.82 0.03 0.00 0.52 0.00 0.00 34.95 32.53 3bim s ARG 44 CO -0.02 0.37 0.64 0.00 0.02 0.00 0.00 175.30 176.31 3bim s ALA 45 N -1.58 -0.38 -0.24 2.13 0.00 -0.72 -4.96 121.76 116.01 3bim s ALA 45 Ca 0.44 -0.87 -0.07 0.00 0.00 0.00 0.00 51.96 51.46 3bim s ALA 45 Cb -0.16 0.89 -0.03 0.00 0.00 0.00 0.00 23.12 23.83 3bim s ALA 45 CO 0.20 -0.93 0.05 -1.01 0.00 0.00 0.00 175.76 174.08 3bim s HIS 46 N -3.10 3.07 0.23 0.00 3.76 -1.26 -1.29 115.29 116.70 3bim s HIS 46 Ca 0.19 -0.45 -0.07 0.00 -0.15 0.00 0.00 55.06 54.58 3bim s HIS 46 Cb -0.03 -2.20 0.40 0.00 1.11 0.00 0.00 32.58 31.85 3bim s HIS 46 CO 0.12 -0.34 1.69 0.87 -0.85 0.00 0.00 174.74 176.23 3bim h LYS 47 N 8.07 0.25 -0.70 1.40 1.57 -1.92 -1.10 116.57 124.12 3bim h LYS 47 Ca -0.38 -0.01 0.03 0.00 -1.87 0.00 0.00 60.65 58.41 3bim h LYS 47 Cb 1.17 -0.06 -0.04 0.00 0.08 0.00 0.00 32.23 33.39 3bim h LYS 47 CO 0.59 0.16 0.46 1.79 -0.57 0.00 0.00 179.45 181.89 3bim h THR 48 N 0.26 1.13 -0.49 -0.16 1.35 -1.99 0.40 112.91 113.40 3bim h THR 48 Ca 0.38 -0.30 -0.12 0.00 -0.55 0.00 0.00 66.41 65.82 3bim h THR 48 Cb 0.62 0.17 -0.01 0.00 -1.73 0.00 0.00 68.15 67.19 3bim h THR 48 CO -0.48 0.16 -0.15 0.58 -0.25 0.00 0.00 175.52 175.38 3bim h VAL 49 N 0.88 1.27 -0.74 6.82 2.07 -1.65 0.25 116.25 125.14 3bim h VAL 49 Ca 0.27 -1.30 -0.01 0.00 0.82 0.00 0.00 66.70 66.49 3bim h VAL 49 Cb 0.01 1.08 -0.03 0.00 -1.52 0.00 0.00 31.29 30.82 3bim h VAL 49 CO -0.07 0.45 0.41 -0.07 0.02 0.00 0.00 177.57 178.31 3bim h LEU 50 N 0.82 0.92 -0.41 2.57 3.38 -0.50 -2.80 115.31 119.28 3bim h LEU 50 Ca 0.12 -0.09 -0.15 0.00 0.09 0.00 0.00 57.88 57.85 3bim h LEU 50 Cb 0.71 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 41.21 3bim h LEU 50 CO 0.05 0.74 -0.73 0.24 0.09 0.00 0.00 178.44 178.84 3bim h MET 51 N 1.02 0.00 0.00 1.13 2.86 -0.74 -0.60 114.93 118.60 3bim h MET 51 Ca 0.26 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.90 3bim h MET 51 Cb 0.02 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.68 3bim h MET 51 CO -0.04 0.73 0.00 0.00 1.06 0.00 0.00 176.91 178.66 3bim n ALA 52 N -2.36 1.94 0.00 6.32 0.00 0.06 -4.10 120.51 122.36 3bim n ALA 52 Ca -0.00 -0.08 0.00 0.00 0.00 0.00 0.00 53.44 53.36 3bim n ALA 52 Cb 0.74 -1.32 0.00 0.00 0.00 0.00 0.00 19.45 18.87 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 -2.09 2.60 0.17 0.00 0.15 -0.27 -4.75 113.70 109.51 3bim s SER 54 Ca 0.00 -0.44 -0.07 0.00 0.70 0.00 0.00 55.95 56.14 3bim s SER 54 Cb 0.00 -0.84 0.04 0.00 -1.71 0.00 0.00 66.02 63.51 3bim s SER 54 CO 0.00 0.18 1.50 1.23 1.20 0.00 0.00 173.24 177.35 3bim h GLY 55 N 6.33 0.85 0.73 9.45 0.00 -1.37 -2.30 103.07 116.76 3bim h GLY 55 Ca -0.30 -0.90 0.06 0.00 0.00 0.00 0.00 47.33 46.19 3bim h GLY 55 CO 0.47 0.81 0.52 -2.00 0.00 0.00 0.00 176.54 176.35 3bim h LEU 56 N 0.63 0.82 -0.19 3.11 5.85 -1.81 -2.20 115.31 121.53 3bim h LEU 56 Ca 0.04 0.02 -0.22 0.00 0.84 0.00 0.00 57.88 58.56 3bim h LEU 56 Cb 1.00 -0.16 -0.00 0.00 0.37 0.00 0.00 40.66 41.88 3bim h LEU 56 CO 0.10 0.53 -0.93 -0.26 -0.34 0.00 0.00 178.44 177.53 3bim h PHE 57 N 0.96 0.55 -0.77 1.25 0.05 -1.80 -1.63 116.94 115.55 3bim h PHE 57 Ca 0.37 -0.30 0.17 0.00 3.82 0.00 0.00 57.97 62.03 3bim h PHE 57 Cb 0.16 -0.06 -0.12 0.00 2.00 0.00 0.00 35.95 37.94 3bim h PHE 57 CO -0.03 1.12 0.20 -0.92 -0.18 0.00 0.00 178.31 178.50 3bim h TYR 58 N 0.21 0.32 -0.01 -0.55 3.20 -1.21 -1.46 116.97 117.47 3bim h TYR 58 Ca -0.07 0.04 -0.15 0.00 3.14 0.00 0.00 58.73 61.69 3bim h TYR 58 Cb 1.57 -0.02 -0.02 0.00 1.54 0.00 0.00 36.73 39.80 3bim h TYR 58 CO 0.05 -0.09 -0.70 0.77 -1.64 0.00 0.00 178.16 176.55 3bim h SER 59 N 0.28 0.06 -0.01 -2.11 0.02 -0.84 -2.15 113.55 108.80 3bim h SER 59 Ca 0.45 -0.04 -0.00 0.00 -0.84 0.00 0.00 61.79 61.35 3bim h SER 59 Cb 0.78 -0.02 -0.00 0.00 0.14 0.00 0.00 62.40 63.31 3bim h SER 59 CO -0.53 0.74 -0.01 0.40 -1.14 0.00 0.00 176.83 176.30 3bim h ILE 60 N 0.04 1.39 -0.01 3.27 2.04 -0.67 -2.35 117.51 121.22 3bim h ILE 60 Ca -0.01 -1.17 0.00 0.00 1.00 0.00 0.00 64.86 64.68 3bim h ILE 60 Cb 1.24 2.18 0.00 0.00 -0.74 0.00 0.00 36.82 39.50 3bim h ILE 60 CO 0.10 0.31 -0.02 0.49 0.00 0.00 0.00 178.15 179.02 3bim n PHE 61 N -4.84 0.00 0.22 1.37 0.99 -0.61 -2.47 117.46 112.12 3bim n PHE 61 Ca -0.08 0.00 0.10 0.00 -0.00 0.00 0.00 57.45 57.47 3bim n PHE 61 Cb 0.26 -0.03 -0.15 0.00 -1.00 0.00 0.00 39.48 38.56 3bim n PHE 61 CO 0.00 0.00 0.00 2.41 -0.00 0.00 0.00 176.76 179.17 3bim n THR 62 N -0.49 0.00 -2.16 4.37 -1.04 -0.81 -4.15 114.28 110.00 3bim n THR 62 Ca 0.20 -0.37 -0.42 0.00 -2.04 0.00 0.00 64.05 61.42 3bim n THR 62 Cb 0.24 0.26 -0.03 0.00 -1.82 0.00 0.00 70.33 68.98 3bim n THR 62 CO 0.00 0.00 0.00 -0.62 -0.64 0.00 0.00 175.07 173.81 3bim s ASP 63 N -4.02 6.78 0.08 8.00 -1.08 -0.89 -4.92 116.67 120.62 3bim s ASP 63 Ca -0.04 2.08 0.21 0.00 -0.52 0.00 0.00 52.55 54.28 3bim s ASP 63 Cb 0.14 -2.54 0.86 0.00 -1.46 0.00 0.00 42.92 39.92 3bim s ASP 63 CO 0.85 -0.84 1.66 0.00 0.52 0.00 0.00 175.17 177.36 3bim n GLN 64 N 6.55 0.07 0.05 4.34 0.00 -1.26 -0.86 117.38 126.27 3bim n GLN 64 Ca 0.15 0.22 0.12 0.00 0.00 0.00 0.00 57.00 57.49 3bim n GLN 64 Cb 0.43 -1.61 0.47 0.00 0.00 0.00 0.00 30.24 29.54 3bim n GLN 64 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.06 178.34 3bim n LEU 65 N -1.73 0.32 0.00 2.61 4.77 -1.26 -4.06 117.00 117.65 3bim n LEU 65 Ca 0.04 0.55 0.00 0.00 -0.03 0.00 0.00 56.01 56.57 3bim n LEU 65 Cb 0.25 -0.47 0.00 0.00 -2.33 0.00 0.00 43.42 40.87 3bim n LEU 65 CO 0.20 -0.20 -0.42 0.29 -1.33 0.00 0.00 177.39 175.93 3bim n LYS 66 N -1.82 1.11 -0.45 3.23 5.02 -0.04 -4.73 118.16 120.49 3bim n LYS 66 Ca 0.05 0.00 0.38 0.00 -2.02 0.00 0.00 58.31 56.72 3bim n LYS 66 Cb 0.31 -0.91 0.66 0.00 -0.02 0.00 0.00 35.03 35.06 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 0.05 0.00 1.97 2.43 -1.28 -0.55 114.38 117.00 3bim h ARG 67 Ca 0.00 -0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 3bim h ARG 67 Cb 0.00 -0.01 0.00 0.00 -0.42 0.00 0.00 29.97 29.54 3bim h ARG 67 CO 0.00 0.03 -0.02 0.09 -1.51 0.00 0.00 179.97 178.56 3bim n ASN 68 N -4.75 1.97 -4.77 -3.80 3.02 -1.26 -4.94 115.26 100.73 3bim n ASN 68 Ca 0.39 -2.45 -0.41 0.00 -0.03 0.00 0.00 54.58 52.08 3bim n ASN 68 Cb 1.48 -0.20 -0.01 0.00 -0.61 0.00 0.00 39.78 40.44 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 -1.76 4.35 0.00 3.41 1.02 -0.21 -4.95 118.68 120.53 3bim s LEU 69 Ca 0.15 2.80 0.15 0.00 0.02 0.00 0.00 54.13 57.25 3bim s LEU 69 Cb 0.13 -3.71 0.02 0.00 0.02 0.00 0.00 46.19 42.65 3bim s LEU 69 CO 0.01 -0.71 0.85 -1.54 0.02 0.00 0.00 176.35 174.98 3bim n SER 70 N 0.54 1.68 -4.05 2.29 3.41 -1.26 -4.84 113.62 111.39 3bim n SER 70 Ca 0.01 -1.34 -0.24 0.00 -0.26 0.00 0.00 58.87 57.04 3bim n SER 70 Cb 0.41 0.40 -0.16 0.00 -0.26 0.00 0.00 64.21 64.60 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 -1.74 1.11 -0.06 -3.33 1.01 -1.26 -0.98 120.40 115.14 3bim s VAL 71 Ca 0.13 -0.52 0.02 0.00 0.00 0.00 0.00 61.98 61.62 3bim s VAL 71 Cb 0.12 -0.98 0.01 0.00 0.00 0.00 0.00 36.38 35.54 3bim s VAL 71 CO 0.35 0.34 -0.11 -0.63 0.00 0.00 0.00 175.10 175.05 3bim s ILE 72 N 0.29 1.07 -0.27 2.22 -1.09 -0.50 -4.94 121.20 117.97 3bim s ILE 72 Ca -0.07 -0.44 -0.11 0.00 -2.23 0.00 0.00 60.65 57.80 3bim s ILE 72 Cb -0.12 -0.99 -0.05 0.00 -1.58 0.00 0.00 42.46 39.73 3bim s ILE 72 CO 0.02 0.34 0.19 0.20 -1.23 0.00 0.00 174.94 174.46 3bim s ASN 73 N 0.70 6.05 0.67 3.58 0.01 -1.26 -0.85 114.94 123.84 3bim s ASN 73 Ca -0.14 0.02 -0.11 0.00 -0.71 0.00 0.00 52.86 51.92 3bim s ASN 73 Cb -0.16 -2.12 -0.01 0.00 0.41 0.00 0.00 41.25 39.38 3bim s ASN 73 CO 0.03 -0.03 1.05 -0.76 -1.51 0.00 0.00 177.10 175.88 3bim s LEU 74 N 1.63 3.14 0.10 0.60 1.43 -0.31 -4.95 118.68 120.33 3bim s LEU 74 Ca 0.07 1.53 -0.35 0.00 -1.03 0.00 0.00 54.13 54.35 3bim s LEU 74 Cb -0.16 -4.45 -0.18 0.00 0.03 0.00 0.00 46.19 41.44 3bim s LEU 74 CO 0.10 -1.27 1.02 -0.67 0.23 0.00 0.00 176.35 175.76 3bim n ASP 75 N -3.01 0.34 0.22 2.29 -0.08 -1.26 -4.81 116.55 110.24 3bim n ASP 75 Ca 0.07 1.14 0.18 0.00 -1.51 0.00 0.00 54.79 54.67 3bim n ASP 75 Cb 0.54 -1.05 0.79 0.00 2.34 0.00 0.00 41.12 43.74 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 2.87 0.00 0.00 -0.67 0.13 -1.96 0.13 132.00 132.50 3bim h PRO 76 Ca -0.44 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.69 3bim h PRO 76 Cb 1.39 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.52 3bim h PRO 76 CO 0.66 0.00 0.00 -1.91 -0.23 0.00 0.00 178.00 176.52 3bim n GLU 77 N -3.32 0.03 -2.88 0.86 4.07 -1.26 -4.79 120.64 113.35 3bim n GLU 77 Ca 0.02 0.14 -0.40 0.00 -0.06 0.00 0.00 57.16 56.87 3bim n GLU 77 Cb 0.48 -1.55 -0.05 0.00 -0.06 0.00 0.00 31.44 30.26 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 -3.03 4.44 -0.18 6.31 -1.09 0.46 -5.02 121.20 123.09 3bim s ILE 78 Ca 0.10 1.84 -0.20 0.00 -2.23 0.00 0.00 60.65 60.16 3bim s ILE 78 Cb 0.14 -4.21 -0.03 0.00 -1.58 0.00 0.00 42.46 36.78 3bim s ILE 78 CO 0.42 0.43 0.59 0.21 -1.23 0.00 0.00 174.94 175.36 3bim s ASN 79 N -0.59 6.67 0.27 3.58 3.84 -1.26 -4.55 114.94 122.89 3bim s ASN 79 Ca 0.40 0.80 -0.01 0.00 0.21 0.00 0.00 52.86 54.27 3bim s ASN 79 Cb -0.23 -2.33 0.52 0.00 -0.55 0.00 0.00 41.25 38.66 3bim s ASN 79 CO 0.27 -0.22 1.79 -0.65 -2.79 0.00 0.00 177.10 175.51 3bim h PRO 80 N 7.38 0.75 -0.18 0.43 0.11 -1.96 -0.30 132.00 138.22 3bim h PRO 80 Ca -0.33 -0.04 -0.02 0.00 0.11 0.00 0.00 66.00 65.71 3bim h PRO 80 Cb 1.15 -0.17 -0.01 0.00 0.11 0.00 0.00 31.00 32.09 3bim h PRO 80 CO 0.76 0.49 0.04 1.49 -0.21 0.00 0.00 178.00 180.58 3bim h GLU 81 N 0.77 0.30 -0.63 1.05 4.81 -1.97 0.11 114.58 119.01 3bim h GLU 81 Ca 0.47 -0.07 0.04 0.00 -0.13 0.00 0.00 59.36 59.66 3bim h GLU 81 Cb 0.57 -0.04 -0.04 0.00 0.63 0.00 0.00 28.75 29.86 3bim h GLU 81 CO -0.31 0.44 0.37 0.78 -0.73 0.00 0.00 179.01 179.56 3bim h GLY 82 N 0.11 0.90 0.97 1.92 0.00 -1.80 -1.10 103.07 104.08 3bim h GLY 82 Ca 0.06 -0.28 -0.01 0.00 0.00 0.00 0.00 47.33 47.10 3bim h GLY 82 CO 0.00 0.21 0.21 -2.75 0.00 0.00 0.00 176.54 174.21 3bim h PHE 83 N 0.72 0.52 -0.76 5.60 3.57 -0.81 -2.14 116.94 123.64 3bim h PHE 83 Ca 0.26 -0.01 0.08 0.00 3.53 0.00 0.00 57.97 61.82 3bim h PHE 83 Cb 0.07 -0.17 -0.06 0.00 2.79 0.00 0.00 35.95 38.58 3bim h PHE 83 CO -0.06 0.41 0.43 -0.97 -2.23 0.00 0.00 178.31 175.89 3bim h ASN 84 N 0.48 0.63 -0.04 0.41 -0.73 -0.38 0.45 115.58 116.39 3bim h ASN 84 Ca 0.13 0.04 -0.11 0.00 1.87 0.00 0.00 56.30 58.23 3bim h ASN 84 Cb 0.06 -0.08 -0.01 0.00 0.27 0.00 0.00 38.32 38.55 3bim h ASN 84 CO -0.02 0.38 -0.33 0.40 -0.37 0.00 0.00 177.43 177.49 3bim h ILE 85 N 0.76 1.29 -0.07 2.57 2.04 -1.01 -1.70 117.51 121.38 3bim h ILE 85 Ca 0.35 -1.43 -0.22 0.00 1.00 0.00 0.00 64.86 64.57 3bim h ILE 85 Cb 0.27 1.46 0.00 0.00 -0.74 0.00 0.00 36.82 37.81 3bim h ILE 85 CO -0.21 0.45 -0.83 -0.07 0.00 0.00 0.00 178.15 177.48 3bim h LEU 86 N 0.44 0.68 -0.19 1.44 3.38 -0.80 -1.86 115.31 118.41 3bim h LEU 86 Ca 0.05 -0.48 -0.01 0.00 0.09 0.00 0.00 57.88 57.53 3bim h LEU 86 Cb 0.79 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 41.33 3bim h LEU 86 CO 0.06 1.26 0.09 0.25 0.09 0.00 0.00 178.44 180.20 3bim h LEU 87 N 0.36 0.25 -0.70 1.67 5.85 -0.77 0.40 115.31 122.38 3bim h LEU 87 Ca -0.06 -0.12 0.08 0.00 0.84 0.00 0.00 57.88 58.62 3bim h LEU 87 Cb 1.45 -0.07 -0.07 0.00 0.37 0.00 0.00 40.66 42.35 3bim h LEU 87 CO 0.15 0.30 0.36 0.44 -0.34 0.00 0.00 178.44 179.36 3bim h ASP 88 N 0.19 0.49 -0.56 1.25 3.45 -1.38 -1.64 116.42 118.21 3bim h ASP 88 Ca 0.07 0.05 0.04 0.00 0.43 0.00 0.00 57.03 57.62 3bim h ASP 88 Cb 0.12 -0.04 -0.04 0.00 -0.56 0.00 0.00 39.33 38.81 3bim h ASP 88 CO -0.01 0.30 0.31 0.15 -1.57 0.00 0.00 179.24 178.42 3bim h PHE 89 N 0.63 0.58 -0.94 4.55 3.57 -0.84 -0.63 116.94 123.86 3bim h PHE 89 Ca 0.33 0.02 0.11 0.00 3.53 0.00 0.00 57.97 61.96 3bim h PHE 89 Cb 0.30 -0.18 -0.07 0.00 2.79 0.00 0.00 35.95 38.79 3bim h PHE 89 CO -0.10 0.30 0.60 0.52 -2.23 0.00 0.00 178.31 177.41 3bim h MET 90 N 0.61 0.91 -0.01 1.11 2.86 -0.02 0.24 114.93 120.61 3bim h MET 90 Ca 0.24 -0.05 0.00 0.00 -2.06 0.00 0.00 59.70 57.82 3bim h MET 90 Cb 0.10 -0.20 0.00 0.00 0.06 0.00 0.00 31.60 31.55 3bim h MET 90 CO -0.14 0.60 -0.27 0.66 1.06 0.00 0.00 176.91 178.82 3bim n TYR 91 N -4.56 0.00 0.00 -0.22 4.02 -0.82 -4.49 117.16 111.10 3bim n TYR 91 Ca 0.17 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 58.06 3bim n TYR 91 Cb 0.33 -0.05 0.00 0.00 -0.02 0.00 0.00 39.34 39.60 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 -0.10 0.00 -0.18 -0.72 -2.24 -0.27 -4.52 114.28 106.25 3bim n THR 92 Ca 0.12 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.90 3bim n THR 92 Cb 0.42 -0.12 0.00 0.00 -2.10 0.00 0.00 70.33 68.53 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 -0.86 0.00 -4.58 3.42 7.64 0.78 -5.03 113.62 114.99 3bim n SER 93 Ca 0.00 0.00 -0.37 0.00 1.01 0.00 0.00 58.87 59.51 3bim n SER 93 Cb 0.11 0.00 -0.11 0.00 -1.01 0.00 0.00 64.21 63.20 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 -0.35 3.91 -0.39 1.43 3.00 -1.26 -5.02 118.95 120.28 3bim s ARG 94 Ca 0.00 -0.35 -0.11 0.00 0.00 0.00 0.00 55.73 55.27 3bim s ARG 94 Cb 0.00 -3.50 0.03 0.00 0.00 0.00 0.00 34.95 31.49 3bim s ARG 94 CO 0.00 -0.07 0.23 -1.17 0.00 0.00 0.00 175.30 174.29 3bim s LEU 95 N 1.39 4.84 -0.42 2.53 2.96 -1.26 -3.77 118.68 124.95 3bim s LEU 95 Ca 0.06 -1.05 -0.16 0.00 -0.22 0.00 0.00 54.13 52.76 3bim s LEU 95 Cb -0.15 -2.04 0.03 0.00 0.50 0.00 0.00 46.19 44.53 3bim s LEU 95 CO 0.06 -0.42 0.38 0.20 -1.32 0.00 0.00 176.35 175.25 3bim s ASN 96 N 1.65 6.15 0.09 3.68 0.02 -1.26 -5.04 114.94 120.23 3bim s ASN 96 Ca 0.02 -0.83 0.08 0.00 -1.02 0.00 0.00 52.86 51.12 3bim s ASN 96 Cb -0.20 -2.19 -0.04 0.00 0.02 0.00 0.00 41.25 38.84 3bim s ASN 96 CO 0.07 -0.54 -0.19 -0.76 0.02 0.00 0.00 177.10 175.70 3bim s LEU 97 N 1.91 2.64 0.07 0.60 1.43 -1.26 -5.00 118.68 119.07 3bim s LEU 97 Ca 0.08 -0.52 0.01 0.00 -1.03 0.00 0.00 54.13 52.67 3bim s LEU 97 Cb -0.18 -1.51 -0.04 0.00 0.03 0.00 0.00 46.19 44.49 3bim s LEU 97 CO 0.11 0.21 -0.06 -0.13 0.23 0.00 0.00 176.35 176.71 3bim s ARG 98 N -1.87 0.68 0.53 1.70 0.52 -1.26 -5.02 118.95 114.22 3bim s ARG 98 Ca 0.16 -1.12 0.30 0.00 -0.52 0.00 0.00 55.73 54.55 3bim s ARG 98 Cb -0.10 -0.13 1.44 0.00 0.52 0.00 0.00 34.95 36.67 3bim s ARG 98 CO 0.08 -0.02 1.89 0.93 0.02 0.00 0.00 175.30 178.20 3bim h GLU 99 N 3.49 0.04 -0.53 3.54 5.08 -2.00 -0.66 114.58 123.54 3bim h GLU 99 Ca -0.35 -0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.01 3bim h GLU 99 Cb 1.17 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 30.41 3bim h GLU 99 CO 0.57 0.03 0.00 0.41 -1.00 0.00 0.00 179.01 179.02 3bim n GLY 100 N -1.69 1.50 0.00 -3.84 0.00 -1.26 -4.18 105.19 95.72 3bim n GLY 100 Ca 0.18 -0.57 0.00 0.00 0.00 0.00 0.00 46.02 45.63 3bim n GLY 100 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 3bim n ASN 101 N 0.98 0.00 -0.23 1.61 0.23 -0.64 -4.95 115.26 112.26 3bim n ASN 101 Ca 0.18 -0.40 0.03 0.00 -0.53 0.00 0.00 54.58 53.86 3bim n ASN 101 Cb 0.47 0.00 0.27 0.00 -2.08 0.00 0.00 39.78 38.44 3bim n ASN 101 CO 0.00 0.00 0.00 -0.29 -0.93 0.00 0.00 177.26 176.04 3bim h ILE 102 N 0.40 1.11 -0.08 1.53 6.09 -1.32 -0.15 117.51 125.09 3bim h ILE 102 Ca 0.00 -0.33 -0.22 0.00 -1.37 0.00 0.00 64.86 62.95 3bim h ILE 102 Cb 0.20 0.08 0.01 0.00 0.47 0.00 0.00 36.82 37.57 3bim h ILE 102 CO 0.00 0.17 -0.83 0.24 -3.07 0.00 0.00 178.15 174.66 3bim h MET 103 N 0.95 0.57 -0.76 2.19 2.86 -1.86 -1.99 114.93 116.90 3bim h MET 103 Ca 0.32 -0.52 -0.05 0.00 -2.06 0.00 0.00 59.70 57.39 3bim h MET 103 Cb 0.07 0.12 -0.03 0.00 0.06 0.00 0.00 31.60 31.82 3bim h MET 103 CO -0.09 1.14 0.29 0.00 1.06 0.00 0.00 176.91 179.30 3bim h ALA 104 N 0.70 1.08 -0.85 6.32 0.00 -1.78 -0.87 119.26 123.86 3bim h ALA 104 Ca -0.06 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.65 3bim h ALA 104 Cb 1.45 -0.30 -0.04 0.00 0.00 0.00 0.00 17.79 18.90 3bim h ALA 104 CO 0.16 0.65 0.53 0.28 0.00 0.00 0.00 179.25 180.86 3bim h VAL 105 N 1.11 1.23 -0.17 0.00 2.07 -0.94 -1.90 116.25 117.65 3bim h VAL 105 Ca 0.25 -0.47 -0.03 0.00 0.82 0.00 0.00 66.70 67.27 3bim h VAL 105 Cb 0.23 0.02 -0.01 0.00 -1.52 0.00 0.00 31.29 30.01 3bim h VAL 105 CO -0.02 0.23 -0.03 -0.03 0.02 0.00 0.00 177.57 177.74 3bim h MET 106 N 1.15 0.31 -0.99 1.57 -1.53 -0.96 -1.26 114.93 113.23 3bim h MET 106 Ca 0.31 -0.12 0.14 0.00 -3.44 0.00 0.00 59.70 56.59 3bim h MET 106 Cb -0.08 -0.02 -0.09 0.00 -0.55 0.00 0.00 31.60 30.86 3bim h MET 106 CO -0.06 0.57 0.61 0.00 0.14 0.00 0.00 176.91 178.17 3bim h ALA 107 N 0.73 1.52 -0.14 0.39 0.00 -1.03 -1.05 119.26 119.69 3bim h ALA 107 Ca 0.04 0.04 -0.21 0.00 0.00 0.00 0.00 54.91 54.79 3bim h ALA 107 Cb 0.45 -0.17 0.01 0.00 0.00 0.00 0.00 17.79 18.09 3bim h ALA 107 CO 0.01 0.14 -0.72 1.15 0.00 0.00 0.00 179.25 179.84 3bim h THR 108 N 0.92 1.30 -0.47 0.00 2.02 -1.15 -2.28 112.91 113.25 3bim h THR 108 Ca 0.51 -1.94 -0.07 0.00 0.77 0.00 0.00 66.41 65.68 3bim h THR 108 Cb 0.59 2.05 -0.02 0.00 -1.74 0.00 0.00 68.15 69.02 3bim h THR 108 CO -0.30 0.61 0.02 0.00 0.37 0.00 0.00 175.52 176.22 3bim h ALA 109 N 0.52 1.16 0.20 6.16 0.00 -0.88 0.36 119.26 126.78 3bim h ALA 109 Ca -0.05 -0.25 -0.01 0.00 0.00 0.00 0.00 54.91 54.60 3bim h ALA 109 Cb 1.35 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 18.95 3bim h ALA 109 CO 0.15 0.55 -0.09 0.52 0.00 0.00 0.00 179.25 180.37 3bim h MET 110 N 0.71 -0.25 -0.87 0.00 2.86 -1.08 -0.80 114.93 115.49 3bim h MET 110 Ca 0.14 0.02 0.04 0.00 -2.06 0.00 0.00 59.70 57.84 3bim h MET 110 Cb 0.41 0.06 -0.05 0.00 0.06 0.00 0.00 31.60 32.08 3bim h MET 110 CO 0.01 -0.14 0.57 -0.92 1.06 0.00 0.00 176.91 177.50 3bim h TYR 111 N -0.30 1.04 -0.18 -0.22 3.20 -1.07 -0.84 116.97 118.60 3bim h TYR 111 Ca -0.03 0.03 0.00 0.00 3.14 0.00 0.00 58.73 61.87 3bim h TYR 111 Cb 0.23 -0.35 0.00 0.00 1.54 0.00 0.00 36.73 38.16 3bim h TYR 111 CO -0.05 0.59 0.00 1.28 -1.64 0.00 0.00 178.16 178.34 3bim n LEU 112 N -4.45 1.34 -3.60 2.82 4.77 0.09 -4.66 117.00 113.30 3bim n LEU 112 Ca 0.12 -0.60 -0.23 0.00 -0.03 0.00 0.00 56.01 55.27 3bim n LEU 112 Cb 0.13 -0.11 0.04 0.00 -2.33 0.00 0.00 43.42 41.15 3bim n LEU 112 CO 0.34 0.30 -0.05 0.00 -1.33 0.00 0.00 177.39 176.65 3bim n GLN 113 N 0.14 -3.14 -3.50 3.23 6.02 -0.32 -2.47 117.38 117.34 3bim n GLN 113 Ca 0.13 0.62 -0.28 0.00 -0.01 0.00 0.00 57.00 57.46 3bim n GLN 113 Cb 0.26 -4.97 -0.08 0.00 1.02 0.00 0.00 30.24 26.46 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 -4.02 2.49 0.21 -1.09 2.81 -0.42 -2.97 117.12 114.13 3bim n MET 114 Ca -0.18 -4.64 0.05 0.00 -1.81 0.00 0.00 57.70 51.12 3bim n MET 114 Cb 0.64 -2.28 0.44 0.00 -0.71 0.00 0.00 33.22 31.31 3bim n MET 114 CO 0.00 0.00 0.00 1.49 1.51 0.00 0.00 175.97 178.97 3bim h GLU 115 N 4.48 0.00 -0.07 0.03 4.57 -1.93 -2.31 114.58 119.36 3bim h GLU 115 Ca 0.19 0.00 -0.08 0.00 -1.18 0.00 0.00 59.36 58.29 3bim h GLU 115 Cb 0.68 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 29.26 3bim h GLU 115 CO 0.84 0.30 -0.34 1.12 -1.18 0.00 0.00 179.01 179.75 3bim h HIS 116 N 0.00 0.15 -0.37 0.92 2.07 -1.96 -0.87 115.15 115.08 3bim h HIS 116 Ca -0.00 -0.03 -0.05 0.00 -2.85 0.00 0.00 60.37 57.44 3bim h HIS 116 Cb 0.59 -0.04 -0.01 0.00 2.57 0.00 0.00 27.41 30.52 3bim h HIS 116 CO 0.00 0.46 0.05 0.28 -3.07 0.00 0.00 177.93 175.65 3bim h VAL 117 N 0.12 1.24 -0.48 6.12 2.07 -1.83 -1.66 116.25 121.83 3bim h VAL 117 Ca 0.01 -0.88 0.07 0.00 0.82 0.00 0.00 66.70 66.73 3bim h VAL 117 Cb 0.66 1.10 -0.06 0.00 -1.52 0.00 0.00 31.29 31.46 3bim h VAL 117 CO 0.05 0.30 0.13 0.58 0.02 0.00 0.00 177.57 178.65 3bim h VAL 118 N 0.46 0.79 -0.76 2.57 2.07 -1.21 -0.03 116.25 120.14 3bim h VAL 118 Ca 0.11 -0.10 -0.06 0.00 0.82 0.00 0.00 66.70 67.48 3bim h VAL 118 Cb 0.38 0.48 -0.03 0.00 -1.52 0.00 0.00 31.29 30.60 3bim h VAL 118 CO 0.01 0.05 0.26 0.44 0.02 0.00 0.00 177.57 178.35 3bim h ASP 119 N 0.29 1.09 -0.75 0.57 3.32 -1.12 -0.61 116.42 119.21 3bim h ASP 119 Ca 0.23 -0.20 -0.01 0.00 0.02 0.00 0.00 57.03 57.07 3bim h ASP 119 Cb 0.28 -0.29 -0.04 0.00 0.22 0.00 0.00 39.33 39.51 3bim h ASP 119 CO -0.27 1.00 0.42 0.74 -1.72 0.00 0.00 179.24 179.41 3bim h THR 120 N 1.13 1.22 0.50 0.35 2.02 -1.00 0.17 112.91 117.29 3bim h THR 120 Ca 0.25 -0.54 -0.02 0.00 0.77 0.00 0.00 66.41 66.86 3bim h THR 120 Cb 0.28 0.22 0.00 0.00 -1.74 0.00 0.00 68.15 66.91 3bim h THR 120 CO -0.01 0.24 -0.25 0.00 0.37 0.00 0.00 175.52 175.87 3bim n ARG 122 N -3.86 -0.25 0.27 0.00 1.74 -0.28 -0.91 116.66 113.37 3bim n ARG 122 Ca -0.08 1.39 0.13 0.00 -0.77 0.00 0.00 57.85 58.51 3bim n ARG 122 Cb 0.27 -2.06 0.79 0.00 -1.02 0.00 0.00 32.46 30.44 3bim n ARG 122 CO 0.00 0.00 0.00 -0.22 -1.52 0.00 0.00 177.63 175.89 3bim h LYS 123 N 0.00 0.00 -0.55 5.56 3.64 -0.62 0.63 116.57 125.23 3bim h LYS 123 Ca 0.28 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.66 3bim h LYS 123 Cb 0.51 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.33 3bim h LYS 123 CO -0.89 0.06 0.00 0.34 -2.27 0.00 0.00 179.45 176.69 3bim n PHE 124 N -3.87 0.57 -1.49 1.91 7.35 -0.09 -3.34 117.46 118.50 3bim n PHE 124 Ca -0.03 -0.23 -0.32 0.00 -0.76 0.00 0.00 57.45 56.11 3bim n PHE 124 Cb 0.16 -0.12 0.07 0.00 0.35 0.00 0.00 39.48 39.93 3bim n PHE 124 CO 0.00 0.00 0.00 -0.89 -0.76 0.00 0.00 176.76 175.11 3bim n ILE 125 N 0.28 3.38 0.00 -2.13 5.41 0.21 -4.62 119.36 121.89 3bim n ILE 125 Ca 0.10 -3.22 0.00 0.00 1.00 0.00 0.00 62.75 60.63 3bim n ILE 125 Cb 0.41 -1.15 0.00 0.00 -0.71 0.00 0.00 39.64 38.20 3bim n ILE 125 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 176.55 176.84 3bim n LYS 126 N -0.87 0.00 -1.42 0.38 4.76 -1.21 -4.70 118.16 115.09 3bim n LYS 126 Ca 0.58 0.00 -0.49 0.00 -2.87 0.00 0.00 58.31 55.53 3bim n LYS 126 Cb 0.74 -0.02 -0.09 0.00 -1.84 0.00 0.00 35.03 33.81 3bim n LYS 126 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 3bim n ALA 127 N -3.00 0.69 0.00 7.82 0.00 -1.26 -5.19 120.51 119.57 3bim n ALA 127 Ca 0.00 -0.15 0.00 0.00 0.00 0.00 0.00 53.44 53.29 3bim n ALA 127 Cb 0.00 -2.46 0.00 0.00 0.00 0.00 0.00 19.45 16.99 3bim n ALA 127 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95