#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1b5w s VAL 2 N 0.00 4.51 0.55 3.15 1.01 -1.26 -0.90 120.40 127.46 1b5w s VAL 2 Ca 0.00 -0.85 -0.18 0.00 0.00 0.00 0.00 61.98 60.95 1b5w s VAL 2 Cb 0.00 -3.50 -0.06 0.00 0.00 0.00 0.00 36.38 32.82 1b5w s VAL 2 CO 0.00 -0.21 1.08 -0.36 0.00 0.00 0.00 175.10 175.61 1b5w s PHE 3 N 1.55 2.85 0.22 5.22 0.40 0.36 -4.99 117.98 123.59 1b5w s PHE 3 Ca 0.02 1.55 -0.12 0.00 -0.60 0.00 0.00 56.93 57.78 1b5w s PHE 3 Cb -0.19 -3.14 -0.07 0.00 0.51 0.00 0.00 43.02 40.13 1b5w s PHE 3 CO 0.06 -1.23 0.59 -1.21 0.70 0.00 0.00 175.22 174.13 1b5w s GLU 4 N -3.54 3.90 0.05 0.44 2.02 -1.26 -4.86 118.70 115.45 1b5w s GLU 4 Ca 0.68 0.43 -0.10 0.00 0.02 0.00 0.00 54.97 55.99 1b5w s GLU 4 Cb -0.19 -2.70 -0.03 0.00 0.10 0.00 0.00 34.13 31.31 1b5w s GLU 4 CO 0.28 0.34 1.18 -0.09 0.02 0.00 0.00 175.26 176.99 1b5w h ARG 5 N 2.82 -0.07 0.00 1.61 2.43 -1.96 -0.92 114.38 118.28 1b5w h ARG 5 Ca -0.48 0.01 -0.03 0.00 -0.81 0.00 0.00 59.98 58.67 1b5w h ARG 5 Cb 1.18 0.02 -0.00 0.00 -0.42 0.00 0.00 29.97 30.74 1b5w h ARG 5 CO 0.67 -0.05 -0.13 0.00 -1.51 0.00 0.00 179.97 178.95 1b5w h GLU 7 N 0.00 1.02 -0.40 0.00 4.81 -1.81 -1.70 114.58 116.50 1b5w h GLU 7 Ca -0.00 -0.27 -0.16 0.00 -0.13 0.00 0.00 59.36 58.80 1b5w h GLU 7 Cb 0.25 -0.12 -0.01 0.00 0.63 0.00 0.00 28.75 29.50 1b5w h GLU 7 CO 0.02 0.96 -0.37 1.25 -0.73 0.00 0.00 179.01 180.14 1b5w h LEU 8 N 0.93 1.01 -0.39 1.64 5.85 -0.22 -2.28 115.31 121.85 1b5w h LEU 8 Ca 0.19 -0.45 0.04 0.00 0.84 0.00 0.00 57.88 58.50 1b5w h LEU 8 Cb 0.43 -0.28 -0.04 0.00 0.37 0.00 0.00 40.66 41.13 1b5w h LEU 8 CO 0.01 1.26 0.15 0.00 -0.34 0.00 0.00 178.44 179.52 1b5w h ALA 9 N 0.79 0.47 -0.54 1.25 0.00 -0.86 0.54 119.26 120.91 1b5w h ALA 9 Ca 0.07 0.04 -0.10 0.00 0.00 0.00 0.00 54.91 54.92 1b5w h ALA 9 Cb 0.96 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.74 1b5w h ALA 9 CO 0.09 -0.23 -0.04 0.00 0.00 0.00 0.00 179.25 179.06 1b5w h ARG 10 N 0.32 0.95 -0.47 0.00 3.08 -1.30 -1.74 114.38 115.22 1b5w h ARG 10 Ca 0.18 -0.31 -0.04 0.00 0.07 0.00 0.00 59.98 59.88 1b5w h ARG 10 Cb 0.14 -0.08 -0.02 0.00 0.08 0.00 0.00 29.97 30.09 1b5w h ARG 10 CO -0.17 0.97 0.12 1.15 -1.07 0.00 0.00 179.97 180.97 1b5w h THR 11 N 0.87 1.23 -0.64 2.04 2.02 -0.79 -1.87 112.91 115.77 1b5w h THR 11 Ca 0.15 -0.81 -0.09 0.00 0.77 0.00 0.00 66.41 66.44 1b5w h THR 11 Cb 0.57 0.86 -0.02 0.00 -1.74 0.00 0.00 68.15 67.82 1b5w h THR 11 CO 0.03 0.29 0.07 -0.07 0.37 0.00 0.00 175.52 176.21 1b5w h LEU 12 N 0.63 1.05 -0.71 2.58 3.38 -0.77 -1.83 115.31 119.64 1b5w h LEU 12 Ca 0.15 -0.27 -0.01 0.00 0.09 0.00 0.00 57.88 57.84 1b5w h LEU 12 Cb 0.31 -0.28 -0.03 0.00 0.09 0.00 0.00 40.66 40.75 1b5w h LEU 12 CO 0.00 1.06 0.41 0.50 0.09 0.00 0.00 178.44 180.51 1b5w h LYS 13 N 1.01 0.97 0.00 1.13 3.64 -1.07 -1.92 116.57 120.33 1b5w h LYS 13 Ca 0.19 -0.10 -0.04 0.00 -1.27 0.00 0.00 60.65 59.43 1b5w h LYS 13 Cb 0.49 -0.20 -0.01 0.00 -0.41 0.00 0.00 32.23 32.10 1b5w h LYS 13 CO 0.02 0.70 -0.21 -0.09 -2.27 0.00 0.00 179.45 177.59 1b5w h ARG 14 N 0.97 0.00 -0.14 1.90 2.43 -0.96 -1.49 114.38 117.09 1b5w h ARG 14 Ca 0.25 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.42 1b5w h ARG 14 Cb -0.01 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.54 1b5w h ARG 14 CO -0.05 0.21 0.00 1.28 -1.51 0.00 0.00 179.97 179.91 1b5w n LEU 15 N -3.67 1.25 -0.70 3.80 4.77 -0.72 -4.92 117.00 116.80 1b5w n LEU 15 Ca -0.01 -0.53 -0.05 0.00 -0.03 0.00 0.00 56.01 55.38 1b5w n LEU 15 Cb 0.34 -0.09 0.00 0.00 -2.33 0.00 0.00 43.42 41.34 1b5w n LEU 15 CO 0.33 0.27 -0.04 0.61 -1.33 0.00 0.00 177.39 177.23 1b5w n GLY 16 N 1.03 0.24 0.16 -0.72 0.00 -0.56 -4.96 105.19 100.38 1b5w n GLY 16 Ca 0.15 -0.64 0.10 0.00 0.00 0.00 0.00 46.02 45.64 1b5w n GLY 16 CO 0.00 0.00 0.00 -0.33 0.00 0.00 0.00 173.32 172.99 1b5w h MET 17 N -0.12 0.00 -6.18 1.61 2.86 -1.54 -3.41 114.93 108.15 1b5w h MET 17 Ca -0.12 0.00 -0.57 0.00 -2.06 0.00 0.00 59.70 56.95 1b5w h MET 17 Cb 1.09 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 32.73 1b5w h MET 17 CO 0.14 0.05 1.33 0.34 1.06 0.00 0.00 176.91 179.83 1b5w s ASP 18 N -5.83 5.71 0.00 1.22 2.15 -1.26 -2.25 116.67 116.40 1b5w s ASP 18 Ca 0.03 1.28 0.00 0.00 0.43 0.00 0.00 52.55 54.29 1b5w s ASP 18 Cb 0.07 -2.52 0.00 0.00 -0.30 0.00 0.00 42.92 40.17 1b5w s ASP 18 CO 0.74 -1.86 0.00 0.61 -0.17 0.00 0.00 175.17 174.49 1b5w n GLY 19 N 5.52 0.71 3.67 2.66 0.00 0.19 -4.86 105.19 113.08 1b5w n GLY 19 Ca 0.24 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.84 1b5w n GLY 19 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 1b5w n TYR 20 N -2.49 2.54 -3.60 1.61 9.36 -0.95 -0.70 117.16 122.93 1b5w n TYR 20 Ca 0.00 -0.29 -0.27 0.00 3.32 0.00 0.00 57.90 60.66 1b5w n TYR 20 Cb 0.00 -2.78 0.01 0.00 -0.63 0.00 0.00 39.34 35.94 1b5w n TYR 20 CO 0.00 0.00 0.00 0.54 0.22 0.00 0.00 176.86 177.62 1b5w n ARG 21 N 6.90 -4.38 -0.98 2.98 5.12 -1.26 -1.04 116.66 124.00 1b5w n ARG 21 Ca 0.20 0.57 0.00 0.00 -1.93 0.00 0.00 57.85 56.68 1b5w n ARG 21 Cb 0.39 -5.37 0.00 0.00 -1.16 0.00 0.00 32.46 26.32 1b5w n ARG 21 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1b5w n GLY 22 N -1.43 0.62 3.53 -0.13 0.00 0.13 -5.00 105.19 102.91 1b5w n GLY 22 Ca 0.00 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.61 1b5w n GLY 22 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1b5w s ILE 23 N -2.59 5.11 0.79 -0.61 1.01 -0.20 -4.88 121.20 119.83 1b5w s ILE 23 Ca 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 60.65 60.54 1b5w s ILE 23 Cb 0.00 -3.91 0.07 0.00 0.01 0.00 0.00 42.46 38.63 1b5w s ILE 23 CO 0.00 -0.21 1.13 -0.94 0.00 0.00 0.00 174.94 174.92 1b5w s SER 24 N 1.76 4.08 0.21 3.58 1.04 -1.26 0.55 113.70 123.65 1b5w s SER 24 Ca 0.13 2.02 -0.09 0.00 0.48 0.00 0.00 55.95 58.49 1b5w s SER 24 Cb -0.16 -2.55 0.22 0.00 0.10 0.00 0.00 66.02 63.63 1b5w s SER 24 CO 0.13 -2.33 1.83 0.25 0.98 0.00 0.00 173.24 174.10 1b5w h LEU 25 N -1.08 0.64 -2.27 2.42 5.85 -1.89 -1.83 115.31 117.14 1b5w h LEU 25 Ca -0.44 0.02 0.04 0.00 0.84 0.00 0.00 57.88 58.34 1b5w h LEU 25 Cb 1.25 -0.12 -0.01 0.00 0.37 0.00 0.00 40.66 42.16 1b5w h LEU 25 CO 0.49 0.43 0.17 0.00 -0.34 0.00 0.00 178.44 179.18 1b5w h ALA 26 N 1.33 1.74 0.14 1.25 0.00 -1.92 -0.52 119.26 121.29 1b5w h ALA 26 Ca 0.29 -0.01 -0.28 0.00 0.00 0.00 0.00 54.91 54.91 1b5w h ALA 26 Cb 0.11 0.01 0.01 0.00 0.00 0.00 0.00 17.79 17.93 1b5w h ALA 26 CO -0.15 -0.25 -1.27 -0.91 0.00 0.00 0.00 179.25 176.68 1b5w h ASN 27 N 0.00 0.55 -0.39 0.00 2.35 -1.65 -2.02 115.58 114.42 1b5w h ASN 27 Ca 0.07 -0.57 -0.11 0.00 -0.55 0.00 0.00 56.30 55.14 1b5w h ASN 27 Cb 0.41 -0.18 -0.02 0.00 0.05 0.00 0.00 38.32 38.59 1b5w h ASN 27 CO -0.00 1.44 -0.16 -0.50 -1.65 0.00 0.00 177.43 176.55 1b5w h TRP 28 N 0.12 0.98 -0.46 1.19 4.06 -1.17 -0.52 115.95 120.14 1b5w h TRP 28 Ca -0.16 -0.21 -0.06 0.00 2.06 0.00 0.00 58.89 60.52 1b5w h TRP 28 Cb 1.97 -0.24 -0.02 0.00 -1.00 0.00 0.00 29.16 29.88 1b5w h TRP 28 CO 0.08 0.96 0.04 0.52 -3.56 0.00 0.00 178.44 176.49 1b5w h MET 29 N 0.77 0.78 -0.76 0.49 2.86 -1.14 -0.99 114.93 116.94 1b5w h MET 29 Ca 0.11 -0.23 -0.04 0.00 -2.06 0.00 0.00 59.70 57.49 1b5w h MET 29 Cb 0.69 -0.08 -0.03 0.00 0.06 0.00 0.00 31.60 32.24 1b5w h MET 29 CO 0.05 0.81 0.31 0.00 1.06 0.00 0.00 176.91 179.15 1b5w h LEU 31 N 1.09 -0.33 -0.81 0.00 5.85 -0.85 -2.01 115.31 118.24 1b5w h LEU 31 Ca 0.25 -0.07 0.05 0.00 0.84 0.00 0.00 57.88 58.96 1b5w h LEU 31 Cb 0.20 0.09 -0.06 0.00 0.37 0.00 0.00 40.66 41.26 1b5w h LEU 31 CO -0.02 -0.14 0.50 0.00 -0.34 0.00 0.00 178.44 178.44 1b5w h ALA 32 N 0.16 1.10 0.29 1.25 0.00 -1.09 0.14 119.26 121.10 1b5w h ALA 32 Ca -0.04 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.86 1b5w h ALA 32 Cb 0.38 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.92 1b5w h ALA 32 CO 0.07 0.27 -0.30 -0.22 0.00 0.00 0.00 179.25 179.06 1b5w h LYS 33 N 0.95 -0.60 0.00 0.00 1.63 -1.14 -0.92 116.57 116.48 1b5w h LYS 33 Ca 0.34 0.04 -0.10 0.00 -0.85 0.00 0.00 60.65 60.09 1b5w h LYS 33 Cb 0.11 0.14 -0.01 0.00 -0.60 0.00 0.00 32.23 31.86 1b5w h LYS 33 CO -0.15 -0.40 -0.45 -1.49 -3.45 0.00 0.00 179.45 173.51 1b5w h TRP 34 N -0.62 0.00 0.10 1.91 4.06 -1.09 0.14 115.95 120.46 1b5w h TRP 34 Ca -0.01 0.00 -0.26 0.00 2.06 0.00 0.00 58.89 60.68 1b5w h TRP 34 Cb 0.58 0.00 0.03 0.00 -1.00 0.00 0.00 29.16 28.76 1b5w h TRP 34 CO -0.19 0.45 -1.10 0.93 -3.56 0.00 0.00 178.44 174.97 1b5w h GLU 35 N 0.00 0.56 0.00 0.49 4.39 -0.61 -3.42 114.58 115.99 1b5w h GLU 35 Ca -0.00 -0.74 0.00 0.00 0.34 0.00 0.00 59.36 58.95 1b5w h GLU 35 Cb 1.11 0.24 0.00 0.00 -0.10 0.00 0.00 28.75 30.01 1b5w h GLU 35 CO 0.06 1.33 0.00 -1.13 -1.16 0.00 0.00 179.01 178.10 1b5w n SER 36 N -3.90 0.00 -1.77 1.42 3.41 -0.41 -4.85 113.62 107.53 1b5w n SER 36 Ca -0.13 -0.63 -0.12 0.00 -0.26 0.00 0.00 58.87 57.72 1b5w n SER 36 Cb 0.92 0.00 0.02 0.00 -0.26 0.00 0.00 64.21 64.89 1b5w n SER 36 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1b5w n GLY 37 N 0.00 0.02 2.46 5.00 0.00 0.50 -2.94 105.19 110.22 1b5w n GLY 37 Ca 0.00 -0.28 -0.20 0.00 0.00 0.00 0.00 46.02 45.53 1b5w n GLY 37 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1b5w n TYR 38 N -3.94 -1.08 -3.73 1.61 4.01 -1.16 -4.75 117.16 108.13 1b5w n TYR 38 Ca -0.06 0.06 -0.37 0.00 -0.16 0.00 0.00 57.90 57.37 1b5w n TYR 38 Cb 0.57 -3.96 -0.12 0.00 -0.31 0.00 0.00 39.34 35.51 1b5w n TYR 38 CO 0.00 0.00 0.00 1.21 -0.46 0.00 0.00 176.86 177.61 1b5w s ASN 39 N -2.16 5.24 0.51 7.72 2.47 -1.15 -0.48 114.94 127.08 1b5w s ASN 39 Ca 0.03 -0.38 0.30 0.00 0.42 0.00 0.00 52.86 53.23 1b5w s ASN 39 Cb -0.02 -1.94 1.00 0.00 -1.45 0.00 0.00 41.25 38.85 1b5w s ASN 39 CO 0.04 -0.10 1.85 0.71 -3.72 0.00 0.00 177.10 175.88 1b5w h THR 40 N 5.63 0.03 -0.57 -5.21 1.35 -1.34 -3.08 112.91 109.73 1b5w h THR 40 Ca -0.35 -0.71 0.00 0.00 -0.55 0.00 0.00 66.41 64.79 1b5w h THR 40 Cb 1.16 1.69 0.00 0.00 -1.73 0.00 0.00 68.15 69.27 1b5w h THR 40 CO 0.59 0.01 0.00 -2.11 -0.25 0.00 0.00 175.52 173.77 1b5w n ARG 41 N -3.11 2.54 -2.12 4.72 1.85 -1.26 -4.00 116.66 115.28 1b5w n ARG 41 Ca 0.02 -2.37 -0.41 0.00 -1.00 0.00 0.00 57.85 54.08 1b5w n ARG 41 Cb 0.39 -1.53 -0.03 0.00 -1.05 0.00 0.00 32.46 30.24 1b5w n ARG 41 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 1b5w s ALA 42 N -1.25 3.59 0.01 2.89 0.00 -1.20 -4.79 121.76 121.00 1b5w s ALA 42 Ca 0.43 1.21 0.02 0.00 0.00 0.00 0.00 51.96 53.62 1b5w s ALA 42 Cb 0.23 -3.52 -0.01 0.00 0.00 0.00 0.00 23.12 19.82 1b5w s ALA 42 CO 0.31 -0.64 -0.06 0.95 0.00 0.00 0.00 175.76 176.33 1b5w s THR 43 N 0.22 0.46 -0.10 0.00 -4.23 -1.26 0.34 115.64 111.06 1b5w s THR 43 Ca 0.59 -0.46 -0.02 0.00 -1.18 0.00 0.00 61.69 60.62 1b5w s THR 43 Cb -0.39 -0.43 0.04 0.00 1.34 0.00 0.00 72.50 73.06 1b5w s THR 43 CO 0.39 -0.02 0.04 0.20 -0.54 0.00 0.00 174.62 174.70 1b5w s ASN 44 N -0.52 1.79 -0.04 3.99 -0.87 0.19 -4.94 114.94 114.54 1b5w s ASN 44 Ca -0.01 -0.25 -0.25 0.00 -1.57 0.00 0.00 52.86 50.78 1b5w s ASN 44 Cb -0.04 -0.33 -0.04 0.00 -0.02 0.00 0.00 41.25 40.82 1b5w s ASN 44 CO -0.00 -0.26 0.77 -0.47 -2.57 0.00 0.00 177.10 174.57 1b5w s TYR 45 N 2.05 3.62 -0.56 2.20 5.04 -1.26 -0.16 117.35 128.27 1b5w s TYR 45 Ca 0.04 1.38 -0.09 0.00 -2.44 0.00 0.00 57.07 55.95 1b5w s TYR 45 Cb -0.14 -2.87 0.14 0.00 0.35 0.00 0.00 41.96 39.44 1b5w s TYR 45 CO -0.06 0.09 0.44 -0.80 -1.34 0.00 0.00 175.55 173.88 1b5w s ASN 46 N 0.72 5.81 0.49 4.32 0.01 0.53 -4.95 114.94 121.88 1b5w s ASN 46 Ca 0.41 -2.20 0.18 0.00 -0.71 0.00 0.00 52.86 50.54 1b5w s ASN 46 Cb -0.19 -2.02 1.22 0.00 0.41 0.00 0.00 41.25 40.67 1b5w s ASN 46 CO 0.21 -0.63 2.03 0.00 -1.51 0.00 0.00 177.10 177.20 1b5w h ALA 47 N 8.12 2.19 -0.11 0.60 0.00 -1.96 0.40 119.26 128.49 1b5w h ALA 47 Ca -0.13 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.73 1b5w h ALA 47 Cb 1.05 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.81 1b5w h ALA 47 CO 0.83 -0.29 -0.09 0.78 0.00 0.00 0.00 179.25 180.48 1b5w h GLY 48 N 0.17 0.18 0.00 0.00 0.00 -1.95 -3.28 103.07 98.19 1b5w h GLY 48 Ca 0.20 -0.10 0.00 0.00 0.00 0.00 0.00 47.33 47.43 1b5w h GLY 48 CO -0.03 0.09 0.00 2.09 0.00 0.00 0.00 176.54 178.69 1b5w n ASP 49 N -4.34 0.85 -1.70 0.19 5.75 -1.03 -5.03 116.55 111.24 1b5w n ASP 49 Ca -0.01 -1.42 -0.18 0.00 -0.01 0.00 0.00 54.79 53.16 1b5w n ASP 49 Cb 0.22 0.00 -0.05 0.00 -1.03 0.00 0.00 41.12 40.26 1b5w n ASP 49 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 1b5w n ARG 50 N -0.21 -1.36 -4.11 0.11 1.74 0.10 -4.83 116.66 108.09 1b5w n ARG 50 Ca 0.00 1.05 -0.23 0.00 -0.77 0.00 0.00 57.85 57.90 1b5w n ARG 50 Cb 0.39 -5.43 -0.05 0.00 -1.02 0.00 0.00 32.46 26.36 1b5w n ARG 50 CO 0.00 0.00 0.00 -1.54 -1.52 0.00 0.00 177.63 174.57 1b5w s SER 51 N -2.55 5.52 0.04 0.55 1.04 -1.18 -4.48 113.70 112.65 1b5w s SER 51 Ca 0.00 -0.23 0.07 0.00 0.48 0.00 0.00 55.95 56.27 1b5w s SER 51 Cb 0.00 -1.41 -0.02 0.00 0.10 0.00 0.00 66.02 64.69 1b5w s SER 51 CO 0.00 -0.02 -0.20 -0.89 0.98 0.00 0.00 173.24 173.11 1b5w s THR 52 N -2.07 1.58 -0.15 2.02 2.01 -1.26 -0.35 115.64 117.41 1b5w s THR 52 Ca 0.33 -1.16 -0.06 0.00 0.31 0.00 0.00 61.69 61.10 1b5w s THR 52 Cb -0.08 -1.38 -0.04 0.00 0.01 0.00 0.00 72.50 71.01 1b5w s THR 52 CO 0.25 0.18 0.06 -1.81 -0.69 0.00 0.00 174.62 172.60 1b5w s ASP 53 N -1.16 5.65 -0.09 3.53 1.01 0.77 -1.66 116.67 124.72 1b5w s ASP 53 Ca 0.07 0.15 0.04 0.00 0.71 0.00 0.00 52.55 53.51 1b5w s ASP 53 Cb -0.09 -1.89 -0.01 0.00 1.01 0.00 0.00 42.92 41.95 1b5w s ASP 53 CO 0.02 0.25 -0.23 -0.31 0.21 0.00 0.00 175.17 175.10 1b5w s TYR 54 N -0.07 2.54 0.00 4.23 1.51 0.02 -0.63 117.35 124.95 1b5w s TYR 54 Ca 0.06 -0.89 0.00 0.00 -1.01 0.00 0.00 57.07 55.24 1b5w s TYR 54 Cb -0.12 -1.68 0.00 0.00 -0.11 0.00 0.00 41.96 40.05 1b5w s TYR 54 CO 0.01 -0.32 0.00 0.41 -1.11 0.00 0.00 175.55 174.54 1b5w n GLY 55 N 3.30 -1.72 0.37 0.71 0.00 0.15 -1.58 105.19 106.42 1b5w n GLY 55 Ca -0.18 -1.34 0.10 0.00 0.00 0.00 0.00 46.02 44.60 1b5w n GLY 55 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 1b5w h ILE 56 N 0.00 0.85 -0.25 -0.61 2.10 -1.67 -0.53 117.51 117.40 1b5w h ILE 56 Ca 0.00 -0.29 0.00 0.00 1.08 0.00 0.00 64.86 65.65 1b5w h ILE 56 Cb 0.00 -0.06 0.00 0.00 -1.09 0.00 0.00 36.82 35.67 1b5w h ILE 56 CO 0.00 0.15 0.00 0.49 -1.08 0.00 0.00 178.15 177.71 1b5w n PHE 57 N -4.62 0.31 -3.68 2.19 3.72 -1.26 -3.97 117.46 110.15 1b5w n PHE 57 Ca 0.19 -0.16 -0.32 0.00 -0.05 0.00 0.00 57.45 57.11 1b5w n PHE 57 Cb 0.44 -0.00 0.04 0.00 -0.94 0.00 0.00 39.48 39.02 1b5w n PHE 57 CO 0.00 0.00 0.00 1.04 -0.05 0.00 0.00 176.76 177.75 1b5w n GLN 58 N 1.39 -1.19 -2.58 -1.08 1.13 -0.21 -4.90 117.38 109.95 1b5w n GLN 58 Ca 0.17 0.45 -0.42 0.00 -1.94 0.00 0.00 57.00 55.26 1b5w n GLN 58 Cb 0.59 -4.09 -0.03 0.00 0.11 0.00 0.00 30.24 26.81 1b5w n GLN 58 CO 0.00 0.00 0.00 0.42 -1.44 0.00 0.00 177.06 176.04 1b5w s ILE 59 N -3.46 4.40 -0.06 5.09 1.01 -0.61 -4.45 121.20 123.12 1b5w s ILE 59 Ca 0.48 1.78 -0.30 0.00 0.00 0.00 0.00 60.65 62.61 1b5w s ILE 59 Cb -0.17 -4.14 -0.03 0.00 0.01 0.00 0.00 42.46 38.13 1b5w s ILE 59 CO 0.86 0.17 1.10 0.21 0.00 0.00 0.00 174.94 177.28 1b5w s ASN 60 N 0.80 7.16 0.54 3.58 3.84 -1.26 -0.80 114.94 128.79 1b5w s ASN 60 Ca 0.54 1.70 0.36 0.00 0.21 0.00 0.00 52.86 55.67 1b5w s ASN 60 Cb -0.25 -2.56 1.79 0.00 -0.55 0.00 0.00 41.25 39.68 1b5w s ASN 60 CO 0.29 -0.49 2.08 0.00 -2.79 0.00 0.00 177.10 176.20 1b5w h ALA 61 N 7.19 1.00 -0.00 1.71 0.00 -1.56 -1.80 119.26 125.81 1b5w h ALA 61 Ca -0.34 0.00 -0.07 0.00 0.00 0.00 0.00 54.91 54.50 1b5w h ALA 61 Cb 1.17 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.95 1b5w h ALA 61 CO 0.85 0.00 -0.33 -0.09 0.00 0.00 0.00 179.25 179.68 1b5w h ARG 62 N 0.00 0.00 0.00 0.00 2.43 -1.82 -3.37 114.38 111.61 1b5w h ARG 62 Ca 0.00 -0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 1b5w h ARG 62 Cb 0.17 -0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.72 1b5w h ARG 62 CO 0.00 0.33 -0.77 0.66 -1.51 0.00 0.00 179.97 178.68 1b5w n TYR 63 N -4.14 0.00 -0.09 2.20 4.01 -1.11 -0.12 117.16 117.90 1b5w n TYR 63 Ca -0.02 0.00 -0.13 0.00 -0.16 0.00 0.00 57.90 57.59 1b5w n TYR 63 Cb 0.37 0.00 -0.14 0.00 -0.31 0.00 0.00 39.34 39.26 1b5w n TYR 63 CO 0.00 0.00 0.00 0.91 -0.46 0.00 0.00 176.86 177.31 1b5w n TRP 64 N -1.88 0.23 -4.19 -0.72 7.02 -0.69 -0.66 117.44 116.56 1b5w n TRP 64 Ca 0.00 0.07 -0.11 0.00 -1.02 0.00 0.00 57.50 56.44 1b5w n TRP 64 Cb 0.39 -1.04 -0.10 0.00 -2.42 0.00 0.00 31.31 28.14 1b5w n TRP 64 CO 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 177.69 175.67 1b5w s ASN 66 N -3.10 5.24 0.00 0.00 2.47 -0.31 -4.52 114.94 114.72 1b5w s ASN 66 Ca 0.23 -0.15 0.04 0.00 0.42 0.00 0.00 52.86 53.40 1b5w s ASN 66 Cb 0.07 -1.93 0.04 0.00 -1.45 0.00 0.00 41.25 37.97 1b5w s ASN 66 CO 0.02 0.01 0.67 -0.90 -3.72 0.00 0.00 177.10 173.18 1b5w n ASP 67 N 4.65 1.42 0.00 -4.21 5.75 -1.26 -1.58 116.55 121.32 1b5w n ASP 67 Ca -0.16 -1.24 0.00 0.00 -0.01 0.00 0.00 54.79 53.38 1b5w n ASP 67 Cb 0.52 -0.01 0.00 0.00 -1.03 0.00 0.00 41.12 40.60 1b5w n ASP 67 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1b5w n GLY 68 N 0.19 2.51 0.00 6.12 0.00 -1.26 -4.75 105.19 108.01 1b5w n GLY 68 Ca 0.02 0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.14 1b5w n GLY 68 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 1b5w n LYS 69 N -1.49 0.51 -2.66 1.61 2.85 -1.26 -4.93 118.16 112.79 1b5w n LYS 69 Ca 0.00 -0.05 -0.43 0.00 -1.05 0.00 0.00 58.31 56.78 1b5w n LYS 69 Cb 0.00 -1.45 -0.02 0.00 -0.65 0.00 0.00 35.03 32.91 1b5w n LYS 69 CO 0.00 0.00 0.00 0.99 -0.05 0.00 0.00 177.40 178.34 1b5w s THR 70 N -3.02 4.71 0.36 0.58 2.01 -1.26 -5.01 115.64 114.02 1b5w s THR 70 Ca 0.03 2.02 -0.28 0.00 0.31 0.00 0.00 61.69 63.77 1b5w s THR 70 Cb 0.14 -4.30 -0.10 0.00 0.01 0.00 0.00 72.50 68.25 1b5w s THR 70 CO 0.82 -0.08 1.38 -2.84 -0.69 0.00 0.00 174.62 173.21 1b5w s PRO 71 N 2.59 4.19 -1.61 4.92 0.02 -1.26 -3.42 135.00 140.43 1b5w s PRO 71 Ca 0.47 2.36 -0.12 0.00 0.02 0.00 0.00 61.00 63.73 1b5w s PRO 71 Cb -0.17 -2.98 0.10 0.00 0.02 0.00 0.00 34.50 31.47 1b5w s PRO 71 CO 0.13 -0.38 0.61 0.41 -0.33 0.00 0.00 177.00 177.43 1b5w n GLY 72 N 0.64 -0.35 3.92 0.52 0.00 -1.26 -4.94 105.19 103.71 1b5w n GLY 72 Ca 0.01 0.14 -0.28 0.00 0.00 0.00 0.00 46.02 45.89 1b5w n GLY 72 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1b5w s ALA 73 N -3.58 3.92 0.45 4.61 0.00 -1.22 -4.95 121.76 120.99 1b5w s ALA 73 Ca 0.46 -1.00 0.05 0.00 0.00 0.00 0.00 51.96 51.48 1b5w s ALA 73 Cb -0.25 -1.74 -0.05 0.00 0.00 0.00 0.00 23.12 21.08 1b5w s ALA 73 CO 0.92 0.62 0.06 0.14 0.00 0.00 0.00 175.76 177.50 1b5w s VAL 74 N -1.67 1.80 -0.50 0.00 -7.23 0.82 -4.98 120.40 108.64 1b5w s VAL 74 Ca 0.34 -1.92 0.07 0.00 -1.81 0.00 0.00 61.98 58.66 1b5w s VAL 74 Cb -0.11 -2.72 0.24 0.00 0.56 0.00 0.00 36.38 34.35 1b5w s VAL 74 CO 0.28 0.00 0.60 -3.20 -0.31 0.00 0.00 175.10 172.46 1b5w n ASN 75 N -1.14 1.66 0.19 4.85 5.15 -1.24 -3.75 115.26 120.98 1b5w n ASN 75 Ca -0.08 -2.99 0.05 0.00 -0.60 0.00 0.00 54.58 50.96 1b5w n ASN 75 Cb 0.66 -0.65 0.51 0.00 -0.53 0.00 0.00 39.78 39.77 1b5w n ASN 75 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1b5w h ALA 76 N 4.22 1.73 -0.00 5.20 0.00 -0.87 -1.25 119.26 128.30 1b5w h ALA 76 Ca 0.14 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.92 1b5w h ALA 76 Cb 0.79 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.54 1b5w h ALA 76 CO 0.61 0.20 -0.15 0.00 0.00 0.00 0.00 179.25 179.91 1b5w n HIS 78 N -1.15 -2.00 -4.12 0.00 -0.00 -0.47 -4.98 115.22 102.50 1b5w n HIS 78 Ca 0.11 0.86 -0.10 0.00 -0.00 0.00 0.00 57.72 58.60 1b5w n HIS 78 Cb 0.30 -4.58 -0.10 0.00 -0.00 0.00 0.00 29.99 25.60 1b5w n HIS 78 CO 0.00 0.00 0.00 -0.51 -0.00 0.00 0.00 176.34 175.83 1b5w s LEU 79 N -6.55 2.45 0.19 2.41 1.43 -1.26 -5.07 118.68 112.28 1b5w s LEU 79 Ca 0.01 -0.90 -0.24 0.00 -1.03 0.00 0.00 54.13 51.97 1b5w s LEU 79 Cb -0.00 0.02 -0.08 0.00 0.03 0.00 0.00 46.19 46.15 1b5w s LEU 79 CO 0.79 -0.46 0.78 -0.55 0.23 0.00 0.00 176.35 177.14 1b5w s SER 80 N -2.69 7.30 0.61 2.29 0.15 -1.26 -1.16 113.70 118.94 1b5w s SER 80 Ca 0.05 1.61 0.35 0.00 0.70 0.00 0.00 55.95 58.66 1b5w s SER 80 Cb 0.03 -2.49 1.99 0.00 -1.71 0.00 0.00 66.02 63.84 1b5w s SER 80 CO -0.05 0.14 2.27 0.00 1.20 0.00 0.00 173.24 176.80 1b5w h SER 82 N 0.00 0.28 0.40 0.00 0.87 -1.91 -0.63 113.55 112.55 1b5w h SER 82 Ca -0.00 0.00 -0.01 0.00 -1.23 0.00 0.00 61.79 60.56 1b5w h SER 82 Cb 0.05 -0.06 -0.00 0.00 -0.44 0.00 0.00 62.40 61.95 1b5w h SER 82 CO 0.00 0.17 -0.03 0.00 -0.53 0.00 0.00 176.83 176.44 1b5w h ALA 83 N 1.75 1.10 -0.39 6.23 0.00 -1.56 -1.89 119.26 124.50 1b5w h ALA 83 Ca 0.22 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.10 1b5w h ALA 83 Cb 0.46 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.24 1b5w h ALA 83 CO -0.05 0.04 0.00 1.28 0.00 0.00 0.00 179.25 180.52 1b5w n LEU 84 N -3.27 2.38 -0.15 0.00 4.77 -0.24 -3.58 117.00 116.90 1b5w n LEU 84 Ca -0.02 -1.20 0.01 0.00 -0.03 0.00 0.00 56.01 54.78 1b5w n LEU 84 Cb 0.19 -0.32 0.04 0.00 -2.33 0.00 0.00 43.42 40.99 1b5w n LEU 84 CO 0.25 0.52 0.52 0.18 -1.33 0.00 0.00 177.39 177.54 1b5w n LEU 85 N 0.62 2.18 -4.88 2.23 4.77 -0.71 -3.28 117.00 117.94 1b5w n LEU 85 Ca 0.14 -1.96 -0.30 0.00 -0.03 0.00 0.00 56.01 53.85 1b5w n LEU 85 Cb 0.41 -0.05 0.02 0.00 -2.33 0.00 0.00 43.42 41.47 1b5w n LEU 85 CO 0.11 0.54 0.70 -1.10 -1.33 0.00 0.00 177.39 176.31 1b5w s GLN 86 N -0.97 3.35 0.19 3.23 -0.21 -1.24 -4.48 119.66 119.54 1b5w s GLN 86 Ca 0.05 0.59 -0.01 0.00 0.02 0.00 0.00 55.36 56.01 1b5w s GLN 86 Cb 0.03 -2.09 0.11 0.00 1.00 0.00 0.00 33.01 32.05 1b5w s GLN 86 CO 0.04 -0.68 1.48 -0.44 -2.12 0.00 0.00 175.29 173.57 1b5w h ASP 87 N -0.37 0.52 -3.45 5.90 3.32 -1.93 -3.40 116.42 117.00 1b5w h ASP 87 Ca -0.45 -0.30 -0.57 0.00 0.02 0.00 0.00 57.03 55.73 1b5w h ASP 87 Cb 1.21 -0.15 -0.06 0.00 0.22 0.00 0.00 39.33 40.55 1b5w h ASP 87 CO 0.62 1.02 0.92 0.21 -1.72 0.00 0.00 179.24 180.30 1b5w s ASN 88 N -6.94 6.70 -0.01 6.45 3.84 -1.26 -4.92 114.94 118.80 1b5w s ASN 88 Ca -0.06 0.81 0.05 0.00 0.21 0.00 0.00 52.86 53.86 1b5w s ASN 88 Cb 0.11 -2.55 0.15 0.00 -0.55 0.00 0.00 41.25 38.42 1b5w s ASN 88 CO 0.83 -1.13 1.06 2.30 -2.79 0.00 0.00 177.10 177.37 1b5w n ILE 89 N 6.46 0.30 -0.16 -5.21 -5.35 -1.26 -4.42 119.36 109.72 1b5w n ILE 89 Ca 0.13 -0.24 -0.02 0.00 -0.27 0.00 0.00 62.75 62.35 1b5w n ILE 89 Cb 0.48 0.00 0.07 0.00 -1.74 0.00 0.00 39.64 38.45 1b5w n ILE 89 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1b5w h ALA 90 N 3.14 0.56 -0.24 -1.28 0.00 -1.94 -0.47 119.26 119.03 1b5w h ALA 90 Ca 0.00 0.10 -0.14 0.00 0.00 0.00 0.00 54.91 54.86 1b5w h ALA 90 Cb 0.34 0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.24 1b5w h ALA 90 CO 0.02 -0.30 -0.44 -0.44 0.00 0.00 0.00 179.25 178.09 1b5w h ASP 91 N 0.25 0.66 -0.75 0.00 3.32 -1.86 -1.86 116.42 116.18 1b5w h ASP 91 Ca 0.25 -0.31 -0.05 0.00 0.02 0.00 0.00 57.03 56.94 1b5w h ASP 91 Cb 0.32 -0.19 -0.03 0.00 0.22 0.00 0.00 39.33 39.65 1b5w h ASP 91 CO -0.31 1.01 0.27 0.00 -1.72 0.00 0.00 179.24 178.49 1b5w h ALA 92 N 1.02 1.05 -0.28 3.45 0.00 -1.63 -0.90 119.26 121.96 1b5w h ALA 92 Ca 0.03 -0.21 -0.09 0.00 0.00 0.00 0.00 54.91 54.65 1b5w h ALA 92 Cb 0.97 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 18.46 1b5w h ALA 92 CO 0.09 0.66 -0.16 0.28 0.00 0.00 0.00 179.25 180.12 1b5w h VAL 93 N 1.11 1.30 -0.52 0.00 2.07 -0.99 0.45 116.25 119.67 1b5w h VAL 93 Ca 0.25 -1.27 -0.03 0.00 0.82 0.00 0.00 66.70 66.47 1b5w h VAL 93 Cb 0.26 1.51 -0.03 0.00 -1.52 0.00 0.00 31.29 31.51 1b5w h VAL 93 CO -0.01 0.40 0.19 0.00 0.02 0.00 0.00 177.57 178.17 1b5w h ALA 94 N 0.74 1.36 -0.03 1.67 0.00 -1.14 -0.61 119.26 121.24 1b5w h ALA 94 Ca 0.06 -0.15 -0.20 0.00 0.00 0.00 0.00 54.91 54.61 1b5w h ALA 94 Cb 0.69 -0.21 -0.00 0.00 0.00 0.00 0.00 17.79 18.26 1b5w h ALA 94 CO 0.05 0.48 -0.85 0.00 0.00 0.00 0.00 179.25 178.93 1b5w h ALA 96 N 0.86 1.11 -0.87 0.00 0.00 -0.35 -1.53 119.26 118.48 1b5w h ALA 96 Ca -0.05 -0.31 -0.01 0.00 0.00 0.00 0.00 54.91 54.54 1b5w h ALA 96 Cb 1.46 -0.15 -0.04 0.00 0.00 0.00 0.00 17.79 19.06 1b5w h ALA 96 CO 0.14 0.55 0.50 0.87 0.00 0.00 0.00 179.25 181.32 1b5w h LYS 97 N 0.55 1.20 -0.43 0.00 1.57 -1.08 -2.31 116.57 116.08 1b5w h LYS 97 Ca 0.09 -0.13 -0.03 0.00 -1.87 0.00 0.00 60.65 58.72 1b5w h LYS 97 Cb 0.58 -0.24 -0.02 0.00 0.08 0.00 0.00 32.23 32.62 1b5w h LYS 97 CO 0.04 0.87 0.16 -0.09 -0.57 0.00 0.00 179.45 179.85 1b5w h ARG 98 N 1.21 0.65 -0.58 3.15 9.65 -1.19 -2.55 114.38 124.72 1b5w h ARG 98 Ca 0.31 -0.13 0.04 0.00 -1.10 0.00 0.00 59.98 59.10 1b5w h ARG 98 Cb -0.01 -0.10 -0.04 0.00 -1.39 0.00 0.00 29.97 28.43 1b5w h ARG 98 CO -0.05 0.61 0.34 0.28 2.80 0.00 0.00 179.97 183.95 1b5w h VAL 99 N 0.55 1.02 0.00 0.20 2.07 -0.83 -2.18 116.25 117.08 1b5w h VAL 99 Ca 0.14 -0.23 0.00 0.00 0.82 0.00 0.00 66.70 67.44 1b5w h VAL 99 Cb 0.22 0.31 0.00 0.00 -1.52 0.00 0.00 31.29 30.30 1b5w h VAL 99 CO -0.01 0.12 0.00 1.33 0.02 0.00 0.00 177.57 179.03 1b5w n VAL 100 N -4.78 0.18 0.68 2.57 0.24 -0.91 -2.41 118.33 113.89 1b5w n VAL 100 Ca 0.06 0.04 0.11 0.00 -2.04 0.00 0.00 64.34 62.51 1b5w n VAL 100 Cb 0.11 -0.59 0.46 0.00 -1.47 0.00 0.00 33.84 32.35 1b5w n VAL 100 CO 0.00 0.00 0.00 -1.14 -2.14 0.00 0.00 176.83 173.55 1b5w n ARG 101 N -1.45 0.08 -2.02 7.34 0.63 -0.82 -4.13 116.66 116.28 1b5w n ARG 101 Ca 0.08 0.19 -0.32 0.00 -0.92 0.00 0.00 57.85 56.88 1b5w n ARG 101 Cb 0.29 -1.61 0.00 0.00 0.45 0.00 0.00 32.46 31.58 1b5w n ARG 101 CO 0.00 0.00 0.00 -0.51 -2.51 0.00 0.00 177.63 174.61 1b5w s ASP 102 N -3.47 6.19 0.44 6.15 1.11 -1.01 -4.96 116.67 121.13 1b5w s ASP 102 Ca 0.10 1.54 0.24 0.00 0.18 0.00 0.00 52.55 54.60 1b5w s ASP 102 Cb 0.13 -2.49 1.23 0.00 1.07 0.00 0.00 42.92 42.86 1b5w s ASP 102 CO 0.44 -0.89 1.80 1.55 1.18 0.00 0.00 175.17 179.24 1b5w h PRO 103 N 0.12 0.26 0.00 8.23 0.13 -1.88 -0.30 132.00 138.56 1b5w h PRO 103 Ca -0.45 -0.02 -0.09 0.00 -0.87 0.00 0.00 66.00 64.57 1b5w h PRO 103 Cb 1.19 -0.06 -0.01 0.00 0.13 0.00 0.00 31.00 32.25 1b5w h PRO 103 CO 0.61 0.18 -0.43 1.96 -0.23 0.00 0.00 178.00 180.09 1b5w h GLN 104 N 0.27 0.00 0.00 0.86 4.20 -1.90 -3.48 115.11 115.06 1b5w h GLN 104 Ca 0.56 0.00 0.00 0.00 0.06 0.00 0.00 58.65 59.27 1b5w h GLN 104 Cb 1.66 0.00 0.00 0.00 0.30 0.00 0.00 27.48 29.44 1b5w h GLN 104 CO -0.20 0.43 0.00 0.41 -0.67 0.00 0.00 178.83 178.80 1b5w n GLY 105 N -0.06 2.32 0.25 3.46 0.00 -0.13 -2.26 105.19 108.77 1b5w n GLY 105 Ca -0.01 -0.45 0.11 0.00 0.00 0.00 0.00 46.02 45.67 1b5w n GLY 105 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 1b5w h ILE 106 N 0.00 0.68 0.00 -0.61 6.09 -1.90 -2.57 117.51 119.21 1b5w h ILE 106 Ca 0.00 -0.64 0.00 0.00 -1.37 0.00 0.00 64.86 62.85 1b5w h ILE 106 Cb 0.00 1.40 0.00 0.00 0.47 0.00 0.00 36.82 38.69 1b5w h ILE 106 CO 0.00 0.15 0.00 0.54 -3.07 0.00 0.00 178.15 175.77 1b5w n ARG 107 N -3.74 0.06 0.03 2.19 1.74 -0.96 -2.42 116.66 113.57 1b5w n ARG 107 Ca -0.02 0.54 0.19 0.00 -0.77 0.00 0.00 57.85 57.79 1b5w n ARG 107 Cb 0.27 -1.70 0.69 0.00 -1.02 0.00 0.00 32.46 30.69 1b5w n ARG 107 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1b5w h ALA 108 N 2.04 2.45 -2.77 7.54 0.00 -1.61 -3.38 119.26 123.53 1b5w h ALA 108 Ca 0.00 -0.02 -0.63 0.00 0.00 0.00 0.00 54.91 54.26 1b5w h ALA 108 Cb 0.03 0.04 -0.15 0.00 0.00 0.00 0.00 17.79 17.71 1b5w h ALA 108 CO 0.00 -0.58 -0.30 -1.58 0.00 0.00 0.00 179.25 176.79 1b5w s TRP 109 N -5.02 3.25 0.32 0.00 0.51 -1.01 -4.96 118.94 112.02 1b5w s TRP 109 Ca -0.05 0.35 0.03 0.00 -2.12 0.00 0.00 56.10 54.32 1b5w s TRP 109 Cb 0.19 -2.52 0.56 0.00 -0.81 0.00 0.00 33.47 30.89 1b5w s TRP 109 CO 0.72 -0.20 1.86 0.28 -0.51 0.00 0.00 176.95 179.11 1b5w h VAL 110 N 5.36 1.20 -0.11 4.03 2.07 -1.89 -2.11 116.25 124.81 1b5w h VAL 110 Ca -0.33 -0.78 0.01 0.00 0.82 0.00 0.00 66.70 66.42 1b5w h VAL 110 Cb 1.17 0.88 -0.01 0.00 -1.52 0.00 0.00 31.29 31.81 1b5w h VAL 110 CO 0.63 0.28 0.07 0.00 0.02 0.00 0.00 177.57 178.57 1b5w h ALA 111 N 1.47 2.00 -0.28 1.67 0.00 -1.94 -1.52 119.26 120.67 1b5w h ALA 111 Ca 0.12 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 55.00 1b5w h ALA 111 Cb 0.32 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.08 1b5w h ALA 111 CO 0.01 -0.02 0.08 2.35 0.00 0.00 0.00 179.25 181.67 1b5w h TRP 112 N 0.08 0.46 -0.52 0.00 7.01 -1.71 0.11 115.95 121.38 1b5w h TRP 112 Ca 0.05 -0.05 0.02 0.00 2.11 0.00 0.00 58.89 61.01 1b5w h TRP 112 Cb 0.08 -0.13 -0.03 0.00 -2.10 0.00 0.00 29.16 26.98 1b5w h TRP 112 CO -0.00 0.50 0.33 0.00 -2.79 0.00 0.00 178.44 176.47 1b5w h ARG 113 N 0.28 0.64 -0.20 2.65 3.08 -1.32 0.17 114.38 119.68 1b5w h ARG 113 Ca 0.09 -0.04 -0.07 0.00 0.07 0.00 0.00 59.98 60.03 1b5w h ARG 113 Cb 0.26 -0.14 -0.00 0.00 0.08 0.00 0.00 29.97 30.17 1b5w h ARG 113 CO -0.00 0.42 -0.15 -0.91 -1.07 0.00 0.00 179.97 178.26 1b5w h ASN 114 N 0.66 0.47 -0.04 7.04 2.35 -1.14 -3.35 115.58 121.57 1b5w h ASN 114 Ca 0.20 -0.45 0.00 0.00 -0.55 0.00 0.00 56.30 55.50 1b5w h ASN 114 Cb -0.03 -0.13 0.00 0.00 0.05 0.00 0.00 38.32 38.21 1b5w h ASN 114 CO -0.07 0.82 0.00 -2.11 -1.65 0.00 0.00 177.43 174.42 1b5w n ARG 115 N -4.50 0.60 0.00 0.81 0.00 0.01 -4.84 116.66 108.73 1b5w n ARG 115 Ca -0.05 -1.01 0.00 0.00 -0.00 0.00 0.00 57.85 56.79 1b5w n ARG 115 Cb 0.37 -1.07 0.00 0.00 -0.00 0.00 0.00 32.46 31.76 1b5w n ARG 115 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1b5w n GLN 117 N -2.29 2.23 -2.15 0.00 7.27 0.10 -2.20 117.38 120.33 1b5w n GLN 117 Ca 0.00 0.80 -0.21 0.00 0.07 0.00 0.00 57.00 57.67 1b5w n GLN 117 Cb 0.33 -2.57 -0.03 0.00 2.41 0.00 0.00 30.24 30.38 1b5w n GLN 117 CO 0.00 0.00 0.00 0.09 0.07 0.00 0.00 177.06 177.22 1b5w n ASN 118 N 3.31 -5.76 -4.60 1.69 5.03 -1.26 -4.95 115.26 108.72 1b5w n ASN 118 Ca 0.16 0.14 -0.26 0.00 0.87 0.00 0.00 54.58 55.49 1b5w n ASN 118 Cb 0.30 -4.86 -0.10 0.00 -1.02 0.00 0.00 39.78 34.10 1b5w n ASN 118 CO 0.00 0.00 0.00 -0.13 -1.83 0.00 0.00 177.26 175.30 1b5w s ARG 119 N -4.65 1.95 -0.67 3.52 0.52 -0.94 -5.06 118.95 113.63 1b5w s ARG 119 Ca 0.00 -1.93 -0.25 0.00 -0.52 0.00 0.00 55.73 53.03 1b5w s ARG 119 Cb 0.00 -1.76 0.05 0.00 0.52 0.00 0.00 34.95 33.75 1b5w s ARG 119 CO 0.00 0.06 1.09 0.34 0.02 0.00 0.00 175.30 176.82 1b5w s ASP 120 N -3.69 6.21 -0.03 0.23 -1.08 -1.26 -4.85 116.67 112.20 1b5w s ASP 120 Ca 0.34 -0.61 0.21 0.00 -0.52 0.00 0.00 52.55 51.97 1b5w s ASP 120 Cb 0.04 -2.48 0.65 0.00 -1.46 0.00 0.00 42.92 39.67 1b5w s ASP 120 CO 0.18 -1.56 1.55 1.33 0.52 0.00 0.00 175.17 177.20 1b5w n VAL 121 N 6.19 1.21 -0.26 1.11 0.24 -1.26 -4.50 118.33 121.06 1b5w n VAL 121 Ca 0.00 -1.01 0.03 0.00 -2.04 0.00 0.00 64.34 61.32 1b5w n VAL 121 Cb 0.47 0.36 0.26 0.00 -1.47 0.00 0.00 33.84 33.47 1b5w n VAL 121 CO 0.00 0.00 0.00 0.03 -2.14 0.00 0.00 176.83 174.72 1b5w h ARG 122 N 4.12 0.95 -1.10 7.34 3.08 -1.91 -2.51 114.38 124.35 1b5w h ARG 122 Ca 0.00 -0.06 0.30 0.00 0.07 0.00 0.00 59.98 60.30 1b5w h ARG 122 Cb 1.10 -0.21 -0.07 0.00 0.08 0.00 0.00 29.97 30.87 1b5w h ARG 122 CO 0.07 0.63 0.76 -0.56 -1.07 0.00 0.00 179.97 179.80 1b5w h GLN 123 N 0.98 0.16 0.00 0.04 3.07 -1.97 -0.98 115.11 116.41 1b5w h GLN 123 Ca 0.34 -0.01 -0.05 0.00 0.09 0.00 0.00 58.65 59.02 1b5w h GLN 123 Cb 0.12 -0.04 -0.01 0.00 0.08 0.00 0.00 27.48 27.64 1b5w h GLN 123 CO -0.11 0.11 -0.24 1.88 0.09 0.00 0.00 178.83 180.56 1b5w h TYR 124 N 0.17 0.00 -0.01 0.06 0.05 -1.78 -3.17 116.97 112.29 1b5w h TYR 124 Ca 0.57 0.00 0.00 0.00 0.05 0.00 0.00 58.73 59.35 1b5w h TYR 124 Cb 1.90 0.00 0.00 0.00 1.01 0.00 0.00 36.73 39.64 1b5w h TYR 124 CO -0.00 0.24 -0.10 1.33 -1.05 0.00 0.00 178.16 178.58 1b5w n VAL 125 N -4.01 0.00 -1.75 -2.88 0.24 -0.44 -4.81 118.33 104.69 1b5w n VAL 125 Ca -0.02 -0.45 -0.42 0.00 -2.04 0.00 0.00 64.34 61.41 1b5w n VAL 125 Cb 0.31 1.12 -0.02 0.00 -1.47 0.00 0.00 33.84 33.78 1b5w n VAL 125 CO 0.00 0.00 0.00 -1.10 -2.14 0.00 0.00 176.83 173.59 1b5w s GLN 126 N -0.96 4.11 0.00 7.34 -1.52 -0.79 -2.19 119.66 125.65 1b5w s GLN 126 Ca 0.08 2.61 0.00 0.00 -1.95 0.00 0.00 55.36 56.10 1b5w s GLN 126 Cb 0.06 -3.02 0.00 0.00 -0.22 0.00 0.00 33.01 29.83 1b5w s GLN 126 CO 0.16 -0.67 0.00 0.41 -0.25 0.00 0.00 175.29 174.93 1b5w n GLY 127 N 2.43 0.96 0.10 3.09 0.00 -1.26 -4.87 105.19 105.65 1b5w n GLY 127 Ca 0.09 0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.26 1b5w n GLY 127 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1b5w n GLY 129 N 1.28 0.12 0.00 0.00 0.00 -1.26 -4.80 105.19 100.53 1b5w n GLY 129 Ca 0.14 -0.39 0.00 0.00 0.00 0.00 0.00 46.02 45.78 1b5w n GLY 129 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65