#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3bim n ASP 6 N 0.00 0.00 0.00 0.00 8.00 -1.26 -5.15 116.55 118.14 3bim n ASP 6 Ca 0.00 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.50 3bim n ASP 6 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.10 3bim n ASP 6 CO 0.00 0.00 0.00 -1.20 -0.39 0.00 0.00 177.20 175.61 3bim n SER 7 N 0.00 0.00 -3.57 -2.24 7.64 -1.26 -5.17 113.62 109.02 3bim n SER 7 Ca 0.00 0.00 -0.06 0.00 1.01 0.00 0.00 58.87 59.82 3bim n SER 7 Cb 0.00 0.00 -0.07 0.00 -1.01 0.00 0.00 64.21 63.13 3bim n SER 7 CO 0.00 0.00 0.00 -1.58 -3.01 0.00 0.00 175.04 170.45 3bim s GLN 8 N -4.21 0.41 -0.20 1.43 -0.44 -1.26 -5.14 119.66 110.26 3bim s GLN 8 Ca 0.00 1.07 -0.02 0.00 -2.50 0.00 0.00 55.36 53.91 3bim s GLN 8 Cb 0.00 0.38 0.00 0.00 -1.64 0.00 0.00 33.01 31.75 3bim s GLN 8 CO 0.00 -0.32 -0.11 0.42 0.50 0.00 0.00 175.29 175.78 3bim s ILE 9 N 2.69 2.89 -0.15 -2.34 1.01 -1.26 -5.08 121.20 118.96 3bim s ILE 9 Ca 0.01 -0.66 -0.22 0.00 0.00 0.00 0.00 60.65 59.77 3bim s ILE 9 Cb -0.13 -2.27 -0.03 0.00 0.01 0.00 0.00 42.46 40.04 3bim s ILE 9 CO -0.15 0.47 0.68 -1.10 0.00 0.00 0.00 174.94 174.84 3bim s GLN 10 N 1.29 4.31 -0.51 2.79 -1.52 -1.26 -5.03 119.66 119.73 3bim s GLN 10 Ca 0.04 0.76 -0.17 0.00 -1.95 0.00 0.00 55.36 54.04 3bim s GLN 10 Cb -0.14 -3.53 0.08 0.00 -0.22 0.00 0.00 33.01 29.20 3bim s GLN 10 CO -0.05 -0.14 0.53 -0.06 -0.25 0.00 0.00 175.29 175.31 3bim s PHE 11 N 1.54 3.15 0.49 0.91 0.40 -1.26 -4.94 117.98 118.27 3bim s PHE 11 Ca 0.33 -0.86 0.21 0.00 -0.60 0.00 0.00 56.93 56.01 3bim s PHE 11 Cb -0.16 -3.49 1.35 0.00 0.51 0.00 0.00 43.02 41.22 3bim s PHE 11 CO 0.13 -0.97 2.10 1.79 0.70 0.00 0.00 175.22 178.97 3bim h THR 12 N 5.83 0.84 -0.01 0.64 1.35 -2.07 -1.82 112.91 117.67 3bim h THR 12 Ca -0.28 -0.33 0.00 0.00 -0.55 0.00 0.00 66.41 65.24 3bim h THR 12 Cb 1.10 1.19 0.00 0.00 -1.73 0.00 0.00 68.15 68.71 3bim h THR 12 CO 0.96 0.09 -0.19 0.54 -0.25 0.00 0.00 175.52 176.67 3bim n ARG 13 N -4.11 1.13 0.05 4.72 5.12 -1.26 -4.66 116.66 117.65 3bim n ARG 13 Ca -0.03 -0.70 -0.13 0.00 -1.93 0.00 0.00 57.85 55.07 3bim n ARG 13 Cb 0.17 -1.49 -0.08 0.00 -1.16 0.00 0.00 32.46 29.91 3bim n ARG 13 CO 0.00 0.00 0.00 1.25 -1.93 0.00 0.00 177.63 176.95 3bim h HIS 14 N 1.70 -0.07 -0.55 -1.55 2.76 -1.75 -0.89 115.15 114.80 3bim h HIS 14 Ca 0.00 -0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.17 3bim h HIS 14 Cb 0.53 0.02 -0.03 0.00 1.55 0.00 0.00 27.41 29.49 3bim h HIS 14 CO 0.00 0.13 0.36 0.00 -1.30 0.00 0.00 177.93 177.12 3bim h ALA 15 N 0.67 0.70 -0.54 5.26 0.00 -1.83 0.14 119.26 123.66 3bim h ALA 15 Ca -0.01 -0.04 -0.05 0.00 0.00 0.00 0.00 54.91 54.81 3bim h ALA 15 Cb 0.23 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.78 3bim h ALA 15 CO 0.01 0.15 0.13 1.03 0.00 0.00 0.00 179.25 180.57 3bim h SER 16 N 0.74 0.78 -0.45 0.00 0.87 -1.84 -1.32 113.55 112.34 3bim h SER 16 Ca 0.20 -0.14 -0.07 0.00 -1.23 0.00 0.00 61.79 60.55 3bim h SER 16 Cb -0.07 -0.20 -0.02 0.00 -0.44 0.00 0.00 62.40 61.67 3bim h SER 16 CO -0.04 0.76 0.01 0.44 -0.53 0.00 0.00 176.83 177.47 3bim h ASP 17 N 0.80 0.77 -0.15 6.23 3.32 0.43 -2.69 116.42 125.13 3bim h ASP 17 Ca 0.18 -0.30 0.03 0.00 0.02 0.00 0.00 57.03 56.96 3bim h ASP 17 Cb 0.30 -0.21 -0.03 0.00 0.22 0.00 0.00 39.33 39.61 3bim h ASP 17 CO -0.00 0.88 -0.04 0.58 -1.72 0.00 0.00 179.24 178.93 3bim h VAL 18 N 0.64 0.83 -0.37 -1.35 2.07 -0.38 -2.33 116.25 115.35 3bim h VAL 18 Ca 0.13 0.00 0.07 0.00 0.82 0.00 0.00 66.70 67.72 3bim h VAL 18 Cb 0.48 0.83 -0.06 0.00 -1.52 0.00 0.00 31.29 31.02 3bim h VAL 18 CO 0.02 0.00 0.01 0.25 0.02 0.00 0.00 177.57 177.87 3bim h LEU 19 N -0.01 -0.14 -0.61 2.57 5.85 -1.21 0.21 115.31 121.97 3bim h LEU 19 Ca 0.07 0.08 0.08 0.00 0.84 0.00 0.00 57.88 58.95 3bim h LEU 19 Cb 0.12 0.15 -0.06 0.00 0.37 0.00 0.00 40.66 41.24 3bim h LEU 19 CO -0.16 -0.03 0.28 0.25 -0.34 0.00 0.00 178.44 178.43 3bim h LEU 20 N 0.11 0.34 -0.62 2.25 5.85 -1.41 0.39 115.31 122.22 3bim h LEU 20 Ca 0.18 0.06 -0.12 0.00 0.84 0.00 0.00 57.88 58.84 3bim h LEU 20 Cb 0.25 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 41.27 3bim h LEU 20 CO -0.30 0.21 -0.17 0.78 -0.34 0.00 0.00 178.44 178.63 3bim h ASN 21 N 0.50 0.92 -0.83 1.25 2.35 -0.74 -0.81 115.58 118.23 3bim h ASN 21 Ca 0.29 -0.32 -0.01 0.00 -0.55 0.00 0.00 56.30 55.71 3bim h ASN 21 Cb 0.29 -0.25 -0.04 0.00 0.05 0.00 0.00 38.32 38.37 3bim h ASN 21 CO -0.25 1.07 0.49 -0.07 -1.65 0.00 0.00 177.43 177.02 3bim h LEU 22 N 0.80 1.01 -0.66 1.61 3.38 0.30 0.46 115.31 122.22 3bim h LEU 22 Ca 0.12 -0.07 -0.11 0.00 0.09 0.00 0.00 57.88 57.90 3bim h LEU 22 Cb 0.71 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 41.19 3bim h LEU 22 CO 0.05 0.79 -0.18 -1.13 0.09 0.00 0.00 178.44 178.06 3bim h ASN 23 N 1.16 0.86 -0.48 -0.43 -0.00 -0.09 -1.35 115.58 115.25 3bim h ASN 23 Ca 0.30 -0.30 -0.09 0.00 -0.00 0.00 0.00 56.30 56.20 3bim h ASN 23 Cb -0.02 -0.24 -0.02 0.00 -0.00 0.00 0.00 38.32 38.04 3bim h ASN 23 CO -0.05 1.03 -0.04 0.03 -0.00 0.00 0.00 177.43 178.39 3bim h ARG 24 N 0.75 0.92 -0.92 6.67 2.47 -0.18 -1.28 114.38 122.81 3bim h ARG 24 Ca 0.11 -0.29 0.06 0.00 -1.26 0.00 0.00 59.98 58.60 3bim h ARG 24 Cb 0.71 -0.08 -0.06 0.00 -1.65 0.00 0.00 29.97 28.88 3bim h ARG 24 CO 0.05 0.94 0.59 -0.07 0.56 0.00 0.00 179.97 182.04 3bim h LEU 25 N 0.84 0.93 -0.34 3.04 3.38 0.07 -2.64 115.31 120.59 3bim h LEU 25 Ca 0.15 0.01 -0.04 0.00 0.09 0.00 0.00 57.88 58.09 3bim h LEU 25 Cb 0.56 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 41.11 3bim h LEU 25 CO 0.03 0.60 0.08 -0.09 0.09 0.00 0.00 178.44 179.15 3bim h ARG 26 N 1.07 0.56 0.00 1.13 2.43 -0.56 0.19 114.38 119.20 3bim h ARG 26 Ca 0.40 -0.14 -0.04 0.00 -0.81 0.00 0.00 59.98 59.39 3bim h ARG 26 Cb 0.15 -0.07 -0.01 0.00 -0.42 0.00 0.00 29.97 29.63 3bim h ARG 26 CO -0.17 0.62 -0.18 0.66 -1.51 0.00 0.00 179.97 179.39 3bim h SER 27 N 0.40 0.00 -0.02 -3.80 4.64 -1.11 -0.25 113.55 113.42 3bim h SER 27 Ca 0.11 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.43 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 0.00 0.18 0.00 0.54 -0.87 0.00 0.00 176.83 176.68 3bim n ARG 28 N -3.39 1.45 -3.30 4.77 1.74 -1.01 -4.95 116.66 111.97 3bim n ARG 28 Ca -0.00 -0.66 -0.22 0.00 -0.77 0.00 0.00 57.85 56.20 3bim n ARG 28 Cb 0.38 -1.47 0.06 0.00 -1.02 0.00 0.00 32.46 30.41 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 -0.19 -6.00 -4.61 0.55 4.64 -0.10 -4.98 116.55 105.85 3bim n ASP 29 Ca 0.20 -0.41 -0.39 0.00 -1.38 0.00 0.00 54.79 52.81 3bim n ASP 29 Cb 0.27 -4.70 -0.09 0.00 -1.04 0.00 0.00 41.12 35.56 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 -3.24 5.20 -1.99 5.18 1.01 0.56 -4.40 121.20 123.53 3bim s ILE 30 Ca 0.44 0.51 0.00 0.00 0.00 0.00 0.00 60.65 61.60 3bim s ILE 30 Cb -0.20 -3.67 0.00 0.00 0.01 0.00 0.00 42.46 38.61 3bim s ILE 30 CO 0.55 0.19 0.00 0.18 0.00 0.00 0.00 174.94 175.86 3bim n LEU 31 N 5.18 -1.38 -4.69 2.97 4.77 -1.26 -4.60 117.00 117.99 3bim n LEU 31 Ca -0.09 0.45 -0.42 0.00 -0.03 0.00 0.00 56.01 55.92 3bim n LEU 31 Cb 0.51 -2.63 -0.03 0.00 -2.33 0.00 0.00 43.42 38.94 3bim n LEU 31 CO 0.37 -0.96 1.35 0.42 -1.33 0.00 0.00 177.39 177.24 3bim s THR 32 N -2.70 3.00 -0.04 -5.08 -4.23 -1.26 -4.84 115.64 100.49 3bim s THR 32 Ca 0.00 0.43 0.06 0.00 -1.18 0.00 0.00 61.69 61.00 3bim s THR 32 Cb 0.00 -3.28 0.09 0.00 1.34 0.00 0.00 72.50 70.65 3bim s THR 32 CO 0.00 -0.00 1.02 -0.90 -0.54 0.00 0.00 174.62 174.20 3bim n ASP 33 N 5.70 1.97 -3.64 3.99 3.85 -0.97 -4.94 116.55 122.50 3bim n ASP 33 Ca 0.16 -2.28 -0.15 0.00 -0.71 0.00 0.00 54.79 51.81 3bim n ASP 33 Cb 0.40 -0.13 -0.07 0.00 -1.35 0.00 0.00 41.12 39.97 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 -1.50 0.03 -0.11 2.12 0.11 -1.17 -4.71 120.40 115.18 3bim s VAL 34 Ca 0.10 -0.26 -0.01 0.00 -2.93 0.00 0.00 61.98 58.88 3bim s VAL 34 Cb 0.08 -0.81 -0.03 0.00 -1.53 0.00 0.00 36.38 34.10 3bim s VAL 34 CO 0.01 -0.14 -0.08 -0.69 -3.33 0.00 0.00 175.10 170.87 3bim s VAL 35 N -1.34 3.60 -0.28 2.04 1.01 -0.02 -1.98 120.40 123.43 3bim s VAL 35 Ca -0.12 -0.49 -0.11 0.00 0.00 0.00 0.00 61.98 61.27 3bim s VAL 35 Cb -0.03 -2.51 -0.04 0.00 0.00 0.00 0.00 36.38 33.80 3bim s VAL 35 CO 0.06 0.55 0.18 -0.63 0.00 0.00 0.00 175.10 175.26 3bim s ILE 36 N -0.18 5.14 -0.29 2.22 -1.09 0.37 -0.76 121.20 126.61 3bim s ILE 36 Ca 0.02 0.07 -0.13 0.00 -2.23 0.00 0.00 60.65 58.37 3bim s ILE 36 Cb -0.13 -3.47 -0.04 0.00 -1.58 0.00 0.00 42.46 37.25 3bim s ILE 36 CO 0.03 0.24 0.30 -0.69 -1.23 0.00 0.00 174.94 173.58 3bim s VAL 37 N 1.73 5.23 -0.18 2.92 1.01 0.14 -1.11 120.40 130.15 3bim s VAL 37 Ca 0.07 0.29 0.01 0.00 0.00 0.00 0.00 61.98 62.34 3bim s VAL 37 Cb -0.16 -3.66 0.03 0.00 0.00 0.00 0.00 36.38 32.59 3bim s VAL 37 CO 0.10 0.14 -0.14 -0.69 0.00 0.00 0.00 175.10 174.51 3bim s VAL 38 N 1.93 1.71 0.00 2.92 1.01 0.21 -0.38 120.40 127.79 3bim s VAL 38 Ca 0.11 -0.86 0.00 0.00 0.00 0.00 0.00 61.98 61.23 3bim s VAL 38 Cb -0.16 -1.66 0.00 0.00 0.00 0.00 0.00 36.38 34.56 3bim s VAL 38 CO 0.11 0.35 0.00 -1.20 0.00 0.00 0.00 175.10 174.36 3bim n SER 39 N 4.70 0.00 -0.61 3.32 7.64 -1.26 -0.38 113.62 127.02 3bim n SER 39 Ca -0.17 0.00 0.06 0.00 1.01 0.00 0.00 58.87 59.78 3bim n SER 39 Cb 0.48 0.00 0.17 0.00 -1.01 0.00 0.00 64.21 63.86 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 10.49 2.79 -3.85 1.43 1.74 -1.26 -5.00 116.66 123.00 3bim n ARG 40 Ca 0.00 -2.30 -0.29 0.00 -0.77 0.00 0.00 57.85 54.49 3bim n ARG 40 Cb 0.00 -1.46 -0.04 0.00 -1.02 0.00 0.00 32.46 29.95 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 -1.78 3.48 -0.04 5.56 2.02 0.48 -5.09 118.70 123.34 3bim s GLU 41 Ca 0.28 -0.42 0.06 0.00 0.02 0.00 0.00 54.97 54.91 3bim s GLU 41 Cb 0.20 -2.95 -0.02 0.00 0.10 0.00 0.00 34.13 31.46 3bim s GLU 41 CO 0.11 0.52 -0.23 -0.65 0.02 0.00 0.00 175.26 175.03 3bim s GLN 42 N -2.91 2.32 -0.05 1.61 -0.21 -1.26 -0.62 119.66 118.54 3bim s GLN 42 Ca 0.36 -0.86 -0.01 0.00 0.02 0.00 0.00 55.36 54.88 3bim s GLN 42 Cb -0.12 -2.16 0.03 0.00 1.00 0.00 0.00 33.01 31.76 3bim s GLN 42 CO 0.28 0.53 0.01 -0.06 -2.12 0.00 0.00 175.29 173.93 3bim s PHE 43 N -0.53 0.41 0.12 0.91 0.40 -0.26 -4.94 117.98 114.09 3bim s PHE 43 Ca 0.07 -0.02 -0.03 0.00 -0.60 0.00 0.00 56.93 56.36 3bim s PHE 43 Cb -0.11 -0.59 -0.05 0.00 0.51 0.00 0.00 43.02 42.78 3bim s PHE 43 CO 0.00 -0.22 0.32 1.03 0.70 0.00 0.00 175.22 177.06 3bim s ARG 44 N 1.63 3.55 0.33 0.44 0.52 -1.26 -0.47 118.95 123.68 3bim s ARG 44 Ca -0.01 -0.23 -0.18 0.00 -0.52 0.00 0.00 55.73 54.79 3bim s ARG 44 Cb -0.13 -2.91 0.06 0.00 0.52 0.00 0.00 34.95 32.49 3bim s ARG 44 CO -0.03 0.51 0.85 0.00 0.02 0.00 0.00 175.30 176.64 3bim s ALA 45 N -1.63 -0.97 -0.23 2.13 0.00 -0.84 -4.96 121.76 115.26 3bim s ALA 45 Ca 0.39 -0.62 -0.10 0.00 0.00 0.00 0.00 51.96 51.63 3bim s ALA 45 Cb -0.12 0.70 -0.05 0.00 0.00 0.00 0.00 23.12 23.65 3bim s ALA 45 CO 0.26 -1.01 0.14 -1.01 0.00 0.00 0.00 175.76 174.14 3bim s HIS 46 N -2.36 3.32 0.31 0.00 0.09 -1.26 -2.29 115.29 113.09 3bim s HIS 46 Ca 0.17 0.20 0.07 0.00 -0.00 0.00 0.00 55.06 55.50 3bim s HIS 46 Cb -0.05 -2.23 0.79 0.00 -0.00 0.00 0.00 32.58 31.10 3bim s HIS 46 CO 0.10 0.10 1.77 0.87 -0.00 0.00 0.00 174.74 177.57 3bim h LYS 47 N 7.32 0.68 0.00 1.40 1.57 -1.91 0.14 116.57 125.77 3bim h LYS 47 Ca -0.38 -0.04 -0.10 0.00 -1.87 0.00 0.00 60.65 58.25 3bim h LYS 47 Cb 1.17 -0.15 -0.01 0.00 0.08 0.00 0.00 32.23 33.31 3bim h LYS 47 CO 0.67 0.45 -0.49 1.79 -0.57 0.00 0.00 179.45 181.31 3bim h THR 48 N 0.71 1.18 -0.21 -0.16 1.35 -1.98 -0.62 112.91 113.17 3bim h THR 48 Ca 0.59 -1.77 -0.13 0.00 -0.55 0.00 0.00 66.41 64.55 3bim h THR 48 Cb 1.00 2.00 0.00 0.00 -1.73 0.00 0.00 68.15 69.42 3bim h THR 48 CO -0.40 0.48 -0.38 0.58 -0.25 0.00 0.00 175.52 175.55 3bim h VAL 49 N 0.00 1.33 -0.30 6.82 2.07 -1.16 -2.17 116.25 122.83 3bim h VAL 49 Ca -0.00 -1.61 0.06 0.00 0.82 0.00 0.00 66.70 65.97 3bim h VAL 49 Cb 0.96 1.84 -0.06 0.00 -1.52 0.00 0.00 31.29 32.51 3bim h VAL 49 CO 0.06 0.50 -0.10 -0.07 0.02 0.00 0.00 177.57 177.98 3bim h LEU 50 N 0.31 -0.36 -1.68 2.57 3.38 -1.03 -1.19 115.31 117.32 3bim h LEU 50 Ca 0.01 0.10 -0.02 0.00 0.09 0.00 0.00 57.88 58.06 3bim h LEU 50 Cb 0.98 0.22 -0.00 0.00 0.09 0.00 0.00 40.66 41.94 3bim h LEU 50 CO 0.09 -0.13 -0.10 0.24 0.09 0.00 0.00 178.44 178.62 3bim h MET 51 N -0.04 0.00 0.00 1.13 2.86 -1.12 -1.04 114.93 116.72 3bim h MET 51 Ca 0.15 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.79 3bim h MET 51 Cb 0.27 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.93 3bim h MET 51 CO -0.33 0.10 -0.42 0.00 1.06 0.00 0.00 176.91 177.32 3bim h ALA 52 N 1.90 0.75 0.00 6.32 0.00 -0.55 -3.35 119.26 124.32 3bim h ALA 52 Ca -0.00 0.00 -0.13 0.00 0.00 0.00 0.00 54.91 54.78 3bim h ALA 52 Cb 0.47 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.23 3bim h ALA 52 CO 0.01 0.00 -1.84 0.00 0.00 0.00 0.00 179.25 177.42 3bim s SER 54 N -4.27 0.85 0.40 0.00 0.15 -0.44 -4.85 113.70 105.54 3bim s SER 54 Ca -0.06 0.06 0.11 0.00 0.70 0.00 0.00 55.95 56.77 3bim s SER 54 Cb 0.07 -0.13 0.83 0.00 -1.71 0.00 0.00 66.02 65.08 3bim s SER 54 CO 0.61 -0.21 1.92 1.23 1.20 0.00 0.00 173.24 177.98 3bim h GLY 55 N 8.11 0.14 0.99 9.45 0.00 -1.67 -1.01 103.07 119.09 3bim h GLY 55 Ca -0.22 -0.09 -0.00 0.00 0.00 0.00 0.00 47.33 47.02 3bim h GLY 55 CO 0.25 0.08 0.29 -2.00 0.00 0.00 0.00 176.54 175.16 3bim h LEU 56 N 0.12 0.57 -0.30 3.11 5.85 -1.83 -1.33 115.31 121.50 3bim h LEU 56 Ca 0.02 -0.05 -0.20 0.00 0.84 0.00 0.00 57.88 58.49 3bim h LEU 56 Cb 0.42 -0.14 -0.00 0.00 0.37 0.00 0.00 40.66 41.30 3bim h LEU 56 CO 0.03 0.46 -0.84 -0.26 -0.34 0.00 0.00 178.44 177.49 3bim h PHE 57 N 0.64 0.48 -0.76 1.25 0.05 -1.77 0.29 116.94 117.12 3bim h PHE 57 Ca 0.17 -0.24 0.06 0.00 3.82 0.00 0.00 57.97 61.78 3bim h PHE 57 Cb -0.01 -0.06 -0.06 0.00 2.00 0.00 0.00 35.95 37.82 3bim h PHE 57 CO -0.03 1.03 0.45 -0.92 -0.18 0.00 0.00 178.31 178.66 3bim h TYR 58 N 0.20 0.83 -0.43 -0.55 3.20 -1.10 -1.85 116.97 117.27 3bim h TYR 58 Ca -0.05 0.03 -0.14 0.00 3.14 0.00 0.00 58.73 61.71 3bim h TYR 58 Cb 1.45 -0.26 -0.01 0.00 1.54 0.00 0.00 36.73 39.45 3bim h TYR 58 CO 0.04 0.41 -0.28 0.77 -1.64 0.00 0.00 178.16 177.46 3bim h SER 59 N 0.82 0.99 0.40 -2.11 0.02 -0.50 -2.62 113.55 110.55 3bim h SER 59 Ca 0.33 -0.43 -0.01 0.00 -0.84 0.00 0.00 61.79 60.85 3bim h SER 59 Cb 0.18 -0.28 -0.01 0.00 0.14 0.00 0.00 62.40 62.43 3bim h SER 59 CO -0.18 1.20 -0.29 0.40 -1.14 0.00 0.00 176.83 176.82 3bim h ILE 60 N 0.78 0.39 -0.00 3.27 2.04 -0.70 -2.93 117.51 120.37 3bim h ILE 60 Ca 0.09 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.95 3bim h ILE 60 Cb 0.86 0.39 0.00 0.00 -0.74 0.00 0.00 36.82 37.34 3bim h ILE 60 CO 0.08 0.00 -0.02 0.49 0.00 0.00 0.00 178.15 178.69 3bim n PHE 61 N -5.42 0.00 0.81 1.37 3.01 -0.72 -1.48 117.46 115.04 3bim n PHE 61 Ca -0.10 0.00 0.09 0.00 1.01 0.00 0.00 57.45 58.45 3bim n PHE 61 Cb 0.32 -0.06 0.01 0.00 -0.01 0.00 0.00 39.48 39.74 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 -0.74 0.00 -2.83 4.37 5.66 -0.99 -4.16 114.28 115.59 3bim n THR 62 Ca 0.20 -0.35 -0.42 0.00 -3.05 0.00 0.00 64.05 60.43 3bim n THR 62 Cb 0.21 1.25 -0.04 0.00 -1.55 0.00 0.00 70.33 70.21 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 -2.01 6.90 0.57 1.09 -1.08 -0.55 -4.95 116.67 116.64 3bim s ASP 63 Ca 0.17 1.12 0.27 0.00 -0.52 0.00 0.00 52.55 53.59 3bim s ASP 63 Cb 0.15 -2.46 1.52 0.00 -1.46 0.00 0.00 42.92 40.67 3bim s ASP 63 CO 0.42 -0.57 2.03 0.06 0.52 0.00 0.00 175.17 177.64 3bim h GLN 64 N 7.63 0.00 0.00 4.34 -0.00 -1.88 0.53 115.11 125.73 3bim h GLN 64 Ca -0.22 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.43 3bim h GLN 64 Cb 1.08 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 28.56 3bim h GLN 64 CO 0.90 0.00 0.00 1.28 -0.00 0.00 0.00 178.83 181.01 3bim n LEU 65 N -3.99 0.00 0.00 0.06 4.77 -1.26 -4.00 117.00 112.59 3bim n LEU 65 Ca 0.05 0.21 0.00 0.00 -0.03 0.00 0.00 56.01 56.24 3bim n LEU 65 Cb 0.46 -0.21 0.00 0.00 -2.33 0.00 0.00 43.42 41.34 3bim n LEU 65 CO 0.31 -0.02 -0.02 0.29 -1.33 0.00 0.00 177.39 176.61 3bim n LYS 66 N -1.21 3.50 -0.31 3.23 5.02 0.16 -4.78 118.16 123.78 3bim n LYS 66 Ca 0.15 0.00 0.23 0.00 -2.02 0.00 0.00 58.31 56.67 3bim n LYS 66 Cb 0.19 -0.30 0.52 0.00 -0.02 0.00 0.00 35.03 35.42 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 0.37 -0.42 1.97 2.43 -1.12 -2.35 114.38 115.26 3bim h ARG 67 Ca 0.00 -0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.15 3bim h ARG 67 Cb 0.00 -0.08 0.00 0.00 -0.42 0.00 0.00 29.97 29.47 3bim h ARG 67 CO 0.00 0.24 0.00 0.09 -1.51 0.00 0.00 179.97 178.79 3bim n ASN 68 N -4.59 3.93 -4.77 -3.80 3.02 -1.26 -4.93 115.26 102.86 3bim n ASN 68 Ca 0.24 -2.51 -0.38 0.00 -0.03 0.00 0.00 54.58 51.90 3bim n ASN 68 Cb 0.86 -0.46 -0.06 0.00 -0.61 0.00 0.00 39.78 39.51 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 -1.94 4.38 0.00 3.41 1.02 -0.88 -4.92 118.68 119.75 3bim s LEU 69 Ca 0.40 1.91 0.04 0.00 0.02 0.00 0.00 54.13 56.50 3bim s LEU 69 Cb 0.27 -3.94 -0.01 0.00 0.02 0.00 0.00 46.19 42.53 3bim s LEU 69 CO 0.16 -0.08 0.37 -1.54 0.02 0.00 0.00 176.35 175.28 3bim n SER 70 N 0.69 0.70 -3.92 2.29 3.41 -1.26 -4.91 113.62 110.62 3bim n SER 70 Ca 0.01 -0.85 -0.22 0.00 -0.26 0.00 0.00 58.87 57.55 3bim n SER 70 Cb 0.49 0.57 -0.17 0.00 -0.26 0.00 0.00 64.21 64.84 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 -0.94 0.73 -0.18 -3.33 1.01 -1.26 -0.84 120.40 115.58 3bim s VAL 71 Ca 0.03 -0.21 0.00 0.00 0.00 0.00 0.00 61.98 61.81 3bim s VAL 71 Cb 0.03 -0.73 0.01 0.00 0.00 0.00 0.00 36.38 35.69 3bim s VAL 71 CO 0.12 0.28 -0.17 -0.63 0.00 0.00 0.00 175.10 174.70 3bim s ILE 72 N 1.03 2.39 -0.27 2.22 -1.09 0.06 -4.97 121.20 120.56 3bim s ILE 72 Ca -0.09 -0.84 -0.22 0.00 -2.23 0.00 0.00 60.65 57.28 3bim s ILE 72 Cb -0.14 -2.02 -0.01 0.00 -1.58 0.00 0.00 42.46 38.71 3bim s ILE 72 CO -0.00 0.52 0.69 0.20 -1.23 0.00 0.00 174.94 175.12 3bim s ASN 73 N 1.19 6.62 0.50 3.58 0.01 -1.26 0.27 114.94 125.84 3bim s ASN 73 Ca 0.02 0.70 -0.18 0.00 -0.71 0.00 0.00 52.86 52.69 3bim s ASN 73 Cb -0.14 -2.37 -0.08 0.00 0.41 0.00 0.00 41.25 39.07 3bim s ASN 73 CO -0.08 -0.46 0.99 -0.76 -1.51 0.00 0.00 177.10 175.28 3bim s LEU 74 N 2.67 3.73 -0.08 0.60 1.43 0.49 -4.95 118.68 122.57 3bim s LEU 74 Ca 0.29 1.70 -0.34 0.00 -1.03 0.00 0.00 54.13 54.75 3bim s LEU 74 Cb -0.15 -4.53 -0.16 0.00 0.03 0.00 0.00 46.19 41.38 3bim s LEU 74 CO 0.10 -0.64 0.96 -0.67 0.23 0.00 0.00 176.35 176.32 3bim n ASP 75 N -1.28 0.18 0.33 2.29 -0.08 -1.26 -4.76 116.55 111.96 3bim n ASP 75 Ca 0.07 0.96 0.22 0.00 -1.51 0.00 0.00 54.79 54.53 3bim n ASP 75 Cb 0.54 -0.75 1.16 0.00 2.34 0.00 0.00 41.12 44.41 3bim n ASP 75 CO 0.00 0.00 0.00 -0.65 0.12 0.00 0.00 177.20 176.67 3bim h PRO 76 N 2.77 0.00 0.00 -0.67 0.11 -1.96 0.64 132.00 132.88 3bim h PRO 76 Ca -0.41 0.00 -0.04 0.00 0.11 0.00 0.00 66.00 65.67 3bim h PRO 76 Cb 1.16 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.27 3bim h PRO 76 CO 0.58 0.00 -0.18 1.49 -0.21 0.00 0.00 178.00 179.69 3bim h GLU 77 N 0.00 0.00 -6.94 1.05 4.57 -2.04 -3.45 114.58 107.77 3bim h GLU 77 Ca 0.00 0.00 -0.50 0.00 -1.18 0.00 0.00 59.36 57.68 3bim h GLU 77 Cb 0.04 0.00 0.04 0.00 -0.16 0.00 0.00 28.75 28.67 3bim h GLU 77 CO 0.00 0.18 0.47 0.42 -1.18 0.00 0.00 179.01 178.90 3bim s ILE 78 N -4.33 3.33 -0.20 2.32 -1.09 0.21 -5.01 121.20 116.44 3bim s ILE 78 Ca -0.03 1.09 -0.09 0.00 -2.23 0.00 0.00 60.65 59.40 3bim s ILE 78 Cb 0.14 -3.60 -0.04 0.00 -1.58 0.00 0.00 42.46 37.37 3bim s ILE 78 CO 0.64 0.08 0.10 0.21 -1.23 0.00 0.00 174.94 174.74 3bim s ASN 79 N -1.25 5.84 0.15 3.58 3.84 -1.26 -4.49 114.94 121.35 3bim s ASN 79 Ca 0.57 0.11 -0.18 0.00 0.21 0.00 0.00 52.86 53.57 3bim s ASN 79 Cb -0.28 -2.02 0.04 0.00 -0.55 0.00 0.00 41.25 38.44 3bim s ASN 79 CO 0.35 0.15 1.69 -0.65 -2.79 0.00 0.00 177.10 175.85 3bim h PRO 80 N 6.88 0.01 -0.89 0.43 0.11 -1.95 -1.31 132.00 135.28 3bim h PRO 80 Ca -0.38 -0.00 0.12 0.00 0.11 0.00 0.00 66.00 65.84 3bim h PRO 80 Cb 1.16 -0.00 -0.07 0.00 0.11 0.00 0.00 31.00 32.20 3bim h PRO 80 CO 0.71 0.01 0.57 1.49 -0.21 0.00 0.00 178.00 180.57 3bim h GLU 81 N 0.01 0.78 -0.00 1.05 4.81 -1.98 0.22 114.58 119.48 3bim h GLU 81 Ca 0.15 -0.05 -0.22 0.00 -0.13 0.00 0.00 59.36 59.12 3bim h GLU 81 Cb 0.23 -0.18 -0.00 0.00 0.63 0.00 0.00 28.75 29.43 3bim h GLU 81 CO -0.31 0.52 -0.91 0.78 -0.73 0.00 0.00 179.01 178.35 3bim h GLY 82 N 0.81 0.39 0.93 1.92 0.00 -1.77 -2.13 103.07 103.21 3bim h GLY 82 Ca 0.43 -0.67 -0.07 0.00 0.00 0.00 0.00 47.33 47.02 3bim h GLY 82 CO -0.19 0.59 -0.03 -2.75 0.00 0.00 0.00 176.54 174.17 3bim h PHE 83 N 0.20 0.73 -0.80 5.60 3.57 -0.26 -2.33 116.94 123.64 3bim h PHE 83 Ca -0.07 -0.14 0.04 0.00 3.53 0.00 0.00 57.97 61.33 3bim h PHE 83 Cb 1.54 -0.19 -0.05 0.00 2.79 0.00 0.00 35.95 40.05 3bim h PHE 83 CO 0.05 0.78 0.50 -0.97 -2.23 0.00 0.00 178.31 176.44 3bim h ASN 84 N 0.47 0.82 -0.23 0.41 -0.73 -0.55 0.21 115.58 115.98 3bim h ASN 84 Ca 0.10 0.00 0.00 0.00 1.87 0.00 0.00 56.30 58.27 3bim h ASN 84 Cb 0.50 -0.18 -0.01 0.00 0.27 0.00 0.00 38.32 38.91 3bim h ASN 84 CO 0.02 0.56 0.15 0.40 -0.37 0.00 0.00 177.43 178.19 3bim h ILE 85 N 0.97 1.08 -0.58 2.57 2.04 -1.41 -1.02 117.51 121.16 3bim h ILE 85 Ca 0.32 -0.17 -0.06 0.00 1.00 0.00 0.00 64.86 65.95 3bim h ILE 85 Cb 0.04 0.77 -0.02 0.00 -0.74 0.00 0.00 36.82 36.87 3bim h ILE 85 CO -0.13 0.08 0.13 -0.07 0.00 0.00 0.00 178.15 178.17 3bim h LEU 86 N 0.30 0.89 -0.12 1.44 3.38 -0.56 -1.31 115.31 119.32 3bim h LEU 86 Ca 0.09 -0.24 0.03 0.00 0.09 0.00 0.00 57.88 57.85 3bim h LEU 86 Cb -0.00 -0.23 -0.04 0.00 0.09 0.00 0.00 40.66 40.48 3bim h LEU 86 CO -0.02 0.89 -0.10 0.25 0.09 0.00 0.00 178.44 179.56 3bim h LEU 87 N 0.84 -0.30 -1.24 1.67 5.85 -0.44 0.14 115.31 121.83 3bim h LEU 87 Ca 0.18 0.06 0.11 0.00 0.84 0.00 0.00 57.88 59.07 3bim h LEU 87 Cb 0.36 0.16 -0.06 0.00 0.37 0.00 0.00 40.66 41.48 3bim h LEU 87 CO 0.00 -0.13 0.57 0.44 -0.34 0.00 0.00 178.44 178.98 3bim h ASP 88 N -0.11 0.74 -0.63 1.25 3.45 -1.05 0.12 116.42 120.20 3bim h ASP 88 Ca 0.08 0.03 -0.05 0.00 0.43 0.00 0.00 57.03 57.52 3bim h ASP 88 Cb 0.22 -0.13 -0.03 0.00 -0.56 0.00 0.00 39.33 38.84 3bim h ASP 88 CO -0.19 0.42 0.20 0.15 -1.57 0.00 0.00 179.24 178.26 3bim h PHE 89 N 0.81 1.00 -0.70 4.55 3.57 -0.51 -0.75 116.94 124.91 3bim h PHE 89 Ca 0.42 -0.10 0.06 0.00 3.53 0.00 0.00 57.97 61.87 3bim h PHE 89 Cb 0.49 -0.29 -0.05 0.00 2.79 0.00 0.00 35.95 38.89 3bim h PHE 89 CO -0.00 0.82 0.41 0.52 -2.23 0.00 0.00 178.31 177.82 3bim h MET 90 N 0.89 0.74 -0.01 1.11 2.86 0.12 0.14 114.93 120.79 3bim h MET 90 Ca 0.20 -0.04 0.00 0.00 -2.06 0.00 0.00 59.70 57.80 3bim h MET 90 Cb 0.28 -0.17 0.00 0.00 0.06 0.00 0.00 31.60 31.77 3bim h MET 90 CO -0.01 0.49 -0.23 0.66 1.06 0.00 0.00 176.91 178.88 3bim n TYR 91 N -4.74 0.00 0.00 -0.22 4.02 -0.72 -4.53 117.16 110.97 3bim n TYR 91 Ca 0.09 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.98 3bim n TYR 91 Cb 0.16 -0.10 0.00 0.00 -0.02 0.00 0.00 39.34 39.38 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 -0.51 0.00 -0.98 -0.72 -2.24 -0.30 -4.55 114.28 104.99 3bim n THR 92 Ca 0.13 -0.03 0.00 0.00 -2.27 0.00 0.00 64.05 61.88 3bim n THR 92 Cb 0.36 0.42 0.00 0.00 -2.10 0.00 0.00 70.33 69.01 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 -0.21 -0.14 -4.31 3.42 7.64 0.47 -5.02 113.62 115.46 3bim n SER 93 Ca 0.00 0.00 -0.36 0.00 1.01 0.00 0.00 58.87 59.52 3bim n SER 93 Cb 0.00 -0.13 -0.13 0.00 -1.01 0.00 0.00 64.21 62.93 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 -0.05 3.11 -0.37 1.43 0.52 -1.26 -5.02 118.95 117.31 3bim s ARG 94 Ca 0.00 -0.83 -0.16 0.00 -0.52 0.00 0.00 55.73 54.22 3bim s ARG 94 Cb 0.00 -3.23 -0.00 0.00 0.52 0.00 0.00 34.95 32.24 3bim s ARG 94 CO 0.00 -0.38 0.41 -1.17 0.02 0.00 0.00 175.30 174.18 3bim s LEU 95 N 1.46 4.55 -0.71 2.53 2.96 -1.26 -3.81 118.68 124.40 3bim s LEU 95 Ca 0.03 -0.33 -0.17 0.00 -0.22 0.00 0.00 54.13 53.44 3bim s LEU 95 Cb -0.17 -2.40 0.15 0.00 0.50 0.00 0.00 46.19 44.27 3bim s LEU 95 CO 0.00 -0.44 0.75 0.20 -1.32 0.00 0.00 176.35 175.54 3bim s ASN 96 N 1.76 6.44 -0.07 3.68 -0.87 -1.26 -5.05 114.94 119.57 3bim s ASN 96 Ca 0.13 -2.00 -0.11 0.00 -1.57 0.00 0.00 52.86 49.32 3bim s ASN 96 Cb -0.16 -2.27 -0.05 0.00 -0.02 0.00 0.00 41.25 38.75 3bim s ASN 96 CO 0.13 -0.88 0.26 -0.76 -2.57 0.00 0.00 177.10 173.27 3bim s LEU 97 N 1.67 4.42 0.39 0.60 1.43 -1.26 -5.01 118.68 120.92 3bim s LEU 97 Ca 0.15 0.68 0.04 0.00 -1.03 0.00 0.00 54.13 53.97 3bim s LEU 97 Cb -0.18 -2.30 -0.05 0.00 0.03 0.00 0.00 46.19 43.68 3bim s LEU 97 CO -0.02 0.36 0.05 -0.13 0.23 0.00 0.00 176.35 176.84 3bim s ARG 98 N -0.98 1.87 0.07 1.70 1.81 -1.26 -5.01 118.95 117.15 3bim s ARG 98 Ca 0.19 -2.09 -0.31 0.00 -1.72 0.00 0.00 55.73 51.80 3bim s ARG 98 Cb -0.14 -1.14 -0.18 0.00 -0.45 0.00 0.00 34.95 33.04 3bim s ARG 98 CO 0.08 -0.22 1.64 0.93 -0.68 0.00 0.00 175.30 177.04 3bim h GLU 99 N 1.85 -0.72 -0.70 3.54 5.08 -2.01 -2.46 114.58 119.16 3bim h GLU 99 Ca -0.41 0.05 0.15 0.00 -1.00 0.00 0.00 59.36 58.15 3bim h GLU 99 Cb 1.26 0.16 -0.13 0.00 0.50 0.00 0.00 28.75 30.55 3bim h GLU 99 CO 0.71 -0.48 -0.07 0.78 -1.00 0.00 0.00 179.01 178.95 3bim h GLY 100 N -0.75 0.65 0.00 -3.84 0.00 -2.04 -3.29 103.07 93.80 3bim h GLY 100 Ca -0.08 0.16 0.00 0.00 0.00 0.00 0.00 47.33 47.41 3bim h GLY 100 CO 0.13 -0.26 -0.96 1.16 0.00 0.00 0.00 176.54 176.61 3bim n ASN 101 N -5.39 0.84 -0.28 0.19 0.23 -1.23 -4.59 115.26 105.04 3bim n ASN 101 Ca 0.11 -0.73 0.19 0.00 -0.53 0.00 0.00 54.58 53.62 3bim n ASN 101 Cb 0.40 1.14 0.49 0.00 -2.08 0.00 0.00 39.78 39.73 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 0.00 0.65 -0.28 1.53 6.09 -1.51 -0.64 117.51 123.35 3bim h ILE 102 Ca 0.00 -0.15 -0.06 0.00 -1.37 0.00 0.00 64.86 63.28 3bim h ILE 102 Cb 0.46 0.16 -0.01 0.00 0.47 0.00 0.00 36.82 37.90 3bim h ILE 102 CO 0.00 0.08 -0.06 0.24 -3.07 0.00 0.00 178.15 175.34 3bim h MET 103 N 0.45 0.53 -0.66 2.19 2.86 -1.83 -1.49 114.93 116.99 3bim h MET 103 Ca 0.51 -0.20 -0.07 0.00 -2.06 0.00 0.00 59.70 57.88 3bim h MET 103 Cb 1.21 -0.03 -0.03 0.00 0.06 0.00 0.00 31.60 32.81 3bim h MET 103 CO -0.22 0.73 0.15 0.00 1.06 0.00 0.00 176.91 178.63 3bim h ALA 104 N 0.78 1.02 -0.35 6.32 0.00 -1.54 -1.84 119.26 123.66 3bim h ALA 104 Ca 0.07 -0.24 -0.01 0.00 0.00 0.00 0.00 54.91 54.73 3bim h ALA 104 Cb 0.53 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 18.05 3bim h ALA 104 CO 0.03 0.64 0.19 0.28 0.00 0.00 0.00 179.25 180.38 3bim h VAL 105 N 0.99 1.14 -0.14 0.00 2.07 -1.00 0.45 116.25 119.76 3bim h VAL 105 Ca 0.21 -0.35 -0.13 0.00 0.82 0.00 0.00 66.70 67.25 3bim h VAL 105 Cb 0.36 0.74 -0.01 0.00 -1.52 0.00 0.00 31.29 30.86 3bim h VAL 105 CO 0.00 0.14 -0.46 -0.03 0.02 0.00 0.00 177.57 177.24 3bim h MET 106 N 0.44 0.35 -0.20 1.57 -1.53 -1.11 -0.48 114.93 113.98 3bim h MET 106 Ca 0.12 -0.19 -0.07 0.00 -3.44 0.00 0.00 59.70 56.12 3bim h MET 106 Cb 0.05 0.01 -0.00 0.00 -0.55 0.00 0.00 31.60 31.11 3bim h MET 106 CO -0.02 0.74 -0.17 0.00 0.14 0.00 0.00 176.91 177.61 3bim h ALA 107 N 1.23 0.28 -0.65 0.39 0.00 -1.08 -2.23 119.26 117.20 3bim h ALA 107 Ca 0.02 -0.34 0.05 0.00 0.00 0.00 0.00 54.91 54.64 3bim h ALA 107 Cb 0.93 -0.06 -0.05 0.00 0.00 0.00 0.00 17.79 18.60 3bim h ALA 107 CO 0.08 0.19 0.37 1.15 0.00 0.00 0.00 179.25 181.03 3bim h THR 108 N 0.13 1.00 -0.61 0.00 2.02 -0.74 -1.17 112.91 113.55 3bim h THR 108 Ca 0.03 -0.24 0.05 0.00 0.77 0.00 0.00 66.41 67.02 3bim h THR 108 Cb 0.70 0.24 -0.03 0.00 -1.74 0.00 0.00 68.15 67.31 3bim h THR 108 CO 0.04 0.13 0.40 0.00 0.37 0.00 0.00 175.52 176.46 3bim h ALA 109 N 1.32 1.74 0.01 6.16 0.00 -0.95 0.15 119.26 127.69 3bim h ALA 109 Ca 0.28 -0.02 -0.15 0.00 0.00 0.00 0.00 54.91 55.02 3bim h ALA 109 Cb 0.13 -0.18 0.01 0.00 0.00 0.00 0.00 17.79 17.76 3bim h ALA 109 CO -0.16 0.18 -0.59 1.98 0.00 0.00 0.00 179.25 180.67 3bim h MET 110 N 0.65 0.38 -0.49 0.00 -1.53 -0.83 0.41 114.93 113.53 3bim h MET 110 Ca 0.25 -0.42 0.08 0.00 -3.44 0.00 0.00 59.70 56.17 3bim h MET 110 Cb 0.18 0.12 -0.07 0.00 -0.55 0.00 0.00 31.60 31.28 3bim h MET 110 CO -0.07 1.10 0.09 -0.92 0.14 0.00 0.00 176.91 177.25 3bim h TYR 111 N -0.15 0.15 0.00 1.39 3.20 -0.79 -1.73 116.97 119.04 3bim h TYR 111 Ca -0.08 0.03 0.00 0.00 3.14 0.00 0.00 58.73 61.82 3bim h TYR 111 Cb 1.31 0.01 0.00 0.00 1.54 0.00 0.00 36.73 39.59 3bim h TYR 111 CO 0.15 -0.01 0.00 1.28 -1.64 0.00 0.00 178.16 177.95 3bim n LEU 112 N -5.11 0.00 -3.37 2.82 4.77 0.49 -4.72 117.00 111.87 3bim n LEU 112 Ca 0.05 0.27 -0.17 0.00 -0.03 0.00 0.00 56.01 56.13 3bim n LEU 112 Cb 0.24 -0.27 0.09 0.00 -2.33 0.00 0.00 43.42 41.15 3bim n LEU 112 CO 0.20 -0.12 0.11 0.00 -1.33 0.00 0.00 177.39 176.25 3bim n GLN 113 N -1.27 -6.42 -3.77 3.23 6.02 -0.53 -3.23 117.38 111.40 3bim n GLN 113 Ca 0.08 0.83 -0.30 0.00 -0.01 0.00 0.00 57.00 57.61 3bim n GLN 113 Cb 0.13 -5.79 -0.10 0.00 1.02 0.00 0.00 30.24 25.50 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 -4.05 2.14 -0.24 -1.09 2.81 0.13 -3.92 117.12 112.91 3bim n MET 114 Ca -0.28 -4.52 -0.06 0.00 -1.81 0.00 0.00 57.70 51.03 3bim n MET 114 Cb 0.67 -2.32 0.05 0.00 -0.71 0.00 0.00 33.22 30.91 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 5.35 0.91 -0.10 0.03 4.39 -1.94 -2.24 114.58 120.98 3bim h GLU 115 Ca 0.16 -0.08 0.03 0.00 0.34 0.00 0.00 59.36 59.81 3bim h GLU 115 Cb 0.75 -0.19 -0.00 0.00 -0.10 0.00 0.00 28.75 29.20 3bim h GLU 115 CO 0.77 0.65 0.08 1.12 -1.16 0.00 0.00 179.01 180.47 3bim h HIS 116 N 0.92 0.00 0.02 4.33 2.07 -1.96 -0.02 115.15 120.52 3bim h HIS 116 Ca 0.24 0.00 -0.22 0.00 -2.85 0.00 0.00 60.37 57.54 3bim h HIS 116 Cb -0.04 0.00 -0.01 0.00 2.57 0.00 0.00 27.41 29.94 3bim h HIS 116 CO -0.02 0.00 -0.97 0.28 -3.07 0.00 0.00 177.93 174.16 3bim h VAL 117 N 0.00 1.48 0.76 6.12 2.07 -1.80 -2.01 116.25 122.87 3bim h VAL 117 Ca 0.05 -2.69 -0.04 0.00 0.82 0.00 0.00 66.70 64.84 3bim h VAL 117 Cb 0.22 2.56 0.01 0.00 -1.52 0.00 0.00 31.29 32.55 3bim h VAL 117 CO -0.00 0.79 -0.37 0.58 0.02 0.00 0.00 177.57 178.59 3bim h VAL 118 N 0.13 0.19 -0.71 2.57 2.07 -0.99 -2.16 116.25 117.35 3bim h VAL 118 Ca -0.07 -0.11 0.16 0.00 0.82 0.00 0.00 66.70 67.50 3bim h VAL 118 Cb 1.62 0.22 -0.11 0.00 -1.52 0.00 0.00 31.29 31.50 3bim h VAL 118 CO 0.15 0.01 0.09 0.44 0.02 0.00 0.00 177.57 178.29 3bim h ASP 119 N -1.11 -0.15 0.18 0.57 3.32 -1.14 0.83 116.42 118.91 3bim h ASP 119 Ca -0.10 0.16 -0.03 0.00 0.02 0.00 0.00 57.03 57.08 3bim h ASP 119 Cb 0.80 0.26 -0.00 0.00 0.22 0.00 0.00 39.33 40.60 3bim h ASP 119 CO 0.17 -0.10 -0.14 0.74 -1.72 0.00 0.00 179.24 178.19 3bim h THR 120 N 0.18 0.99 -0.01 0.35 2.02 -1.30 -0.07 112.91 115.08 3bim h THR 120 Ca 0.40 -0.51 -0.22 0.00 0.77 0.00 0.00 66.41 66.85 3bim h THR 120 Cb 0.68 1.28 0.00 0.00 -1.74 0.00 0.00 68.15 68.38 3bim h THR 120 CO -0.56 0.14 -0.92 0.00 0.37 0.00 0.00 175.52 174.55 3bim h ARG 122 N 0.24 -0.78 0.00 0.00 3.08 -1.10 -2.78 114.38 113.05 3bim h ARG 122 Ca -0.08 0.05 0.00 0.00 0.07 0.00 0.00 59.98 60.03 3bim h ARG 122 Cb 1.56 0.18 0.00 0.00 0.08 0.00 0.00 29.97 31.78 3bim h ARG 122 CO 0.16 -0.52 0.00 1.63 -1.07 0.00 0.00 179.97 180.17 3bim n LYS 123 N -4.30 0.00 -0.01 0.04 5.02 -0.06 0.10 118.16 118.96 3bim n LYS 123 Ca -0.10 0.00 -0.01 0.00 -2.02 0.00 0.00 58.31 56.18 3bim n LYS 123 Cb 0.32 -1.00 -0.02 0.00 -0.02 0.00 0.00 35.03 34.30 3bim n LYS 123 CO 0.00 0.00 0.00 0.34 -0.52 0.00 0.00 177.40 177.22 3bim n PHE 124 N -0.35 0.00 -0.63 2.13 7.35 -1.09 -4.46 117.46 120.41 3bim n PHE 124 Ca 0.00 0.00 -0.08 0.00 -0.76 0.00 0.00 57.45 56.61 3bim n PHE 124 Cb 0.00 -0.14 -0.10 0.00 0.35 0.00 0.00 39.48 39.59 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 -2.07 1.91 -0.07 -2.13 5.41 0.29 -2.47 119.36 120.23 3bim n ILE 125 Ca -0.05 -0.97 -0.15 0.00 1.00 0.00 0.00 62.75 62.59 3bim n ILE 125 Cb 0.55 -1.83 -0.05 0.00 -0.71 0.00 0.00 39.64 37.60 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 2.75 0.31 -0.35 0.38 4.76 -1.25 -4.44 118.16 120.31 3bim n LYS 126 Ca 0.28 0.13 -0.05 0.00 -2.87 0.00 0.00 58.31 55.81 3bim n LYS 126 Cb 0.56 -1.01 -0.05 0.00 -1.84 0.00 0.00 35.03 32.68 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 -3.66 2.85 -1.09 7.82 0.00 -1.03 -5.21 120.51 120.18 3bim n ALA 127 Ca -0.28 -0.66 0.00 0.00 0.00 0.00 0.00 53.44 52.50 3bim n ALA 127 Cb 0.69 -2.32 0.00 0.00 0.00 0.00 0.00 19.45 17.82 3bim n ALA 127 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95