#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2hee s VAL 2 N 0.00 3.98 0.48 3.15 1.01 -1.26 -0.85 120.40 126.90 2hee s VAL 2 Ca 0.00 -1.05 -0.21 0.00 0.00 0.00 0.00 61.98 60.72 2hee s VAL 2 Cb 0.00 -3.23 -0.08 0.00 0.00 0.00 0.00 36.38 33.07 2hee s VAL 2 CO 0.00 -0.18 1.09 -0.36 0.00 0.00 0.00 175.10 175.65 2hee s PHE 3 N 1.44 2.93 0.31 5.22 0.08 -0.36 -5.01 117.98 122.60 2hee s PHE 3 Ca -0.01 1.57 -0.12 0.00 0.12 0.00 0.00 56.93 58.50 2hee s PHE 3 Cb -0.19 -3.21 -0.08 0.00 -0.57 0.00 0.00 43.02 38.97 2hee s PHE 3 CO 0.04 -1.14 0.67 -1.21 -0.10 0.00 0.00 175.22 173.48 2hee s GLU 4 N -2.99 3.87 0.06 0.44 0.41 -1.26 -4.87 118.70 114.36 2hee s GLU 4 Ca 0.66 0.46 -0.16 0.00 -0.41 0.00 0.00 54.97 55.52 2hee s GLU 4 Cb -0.22 -2.51 -0.05 0.00 -1.78 0.00 0.00 34.13 29.57 2hee s GLU 4 CO 0.26 0.17 1.26 -0.09 -0.49 0.00 0.00 175.26 176.38 2hee h ARG 5 N 2.10 -0.18 -0.25 1.61 2.43 -1.96 -1.63 114.38 116.51 2hee h ARG 5 Ca -0.47 0.01 -0.04 0.00 -0.81 0.00 0.00 59.98 58.67 2hee h ARG 5 Cb 1.18 0.04 -0.01 0.00 -0.42 0.00 0.00 29.97 30.75 2hee h ARG 5 CO 0.66 -0.12 -0.01 0.00 -1.51 0.00 0.00 179.97 179.00 2hee h GLU 7 N 0.37 0.06 -0.62 0.00 4.81 -1.87 -1.41 114.58 115.92 2hee h GLU 7 Ca 0.08 -0.00 -0.03 0.00 -0.13 0.00 0.00 59.36 59.28 2hee h GLU 7 Cb 0.26 -0.01 -0.03 0.00 0.63 0.00 0.00 28.75 29.60 2hee h GLU 7 CO 0.01 0.04 0.29 1.25 -0.73 0.00 0.00 179.01 179.86 2hee h LEU 8 N 0.06 0.82 -0.62 1.64 5.85 -0.87 -1.87 115.31 120.32 2hee h LEU 8 Ca 0.04 -0.14 0.07 0.00 0.84 0.00 0.00 57.88 58.69 2hee h LEU 8 Cb 0.03 -0.21 -0.06 0.00 0.37 0.00 0.00 40.66 40.78 2hee h LEU 8 CO -0.05 0.74 0.29 0.00 -0.34 0.00 0.00 178.44 179.08 2hee h ALA 9 N 1.12 0.81 -0.22 1.25 0.00 -0.74 0.12 119.26 121.60 2hee h ALA 9 Ca 0.21 0.05 -0.14 0.00 0.00 0.00 0.00 54.91 55.03 2hee h ALA 9 Cb 0.14 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 17.88 2hee h ALA 9 CO -0.02 -0.09 -0.43 0.00 0.00 0.00 0.00 179.25 178.71 2hee h ARG 10 N 0.53 0.54 -0.36 0.00 3.08 -1.08 -2.02 114.38 115.07 2hee h ARG 10 Ca 0.29 -0.29 -0.04 0.00 0.07 0.00 0.00 59.98 60.01 2hee h ARG 10 Cb 0.27 0.01 -0.01 0.00 0.08 0.00 0.00 29.97 30.32 2hee h ARG 10 CO -0.23 0.87 0.05 1.15 -1.07 0.00 0.00 179.97 180.74 2hee h THR 11 N 0.44 1.24 -0.64 2.04 2.02 -0.45 -1.44 112.91 116.13 2hee h THR 11 Ca 0.03 -0.86 -0.06 0.00 0.77 0.00 0.00 66.41 66.29 2hee h THR 11 Cb 0.93 1.11 -0.03 0.00 -1.74 0.00 0.00 68.15 68.42 2hee h THR 11 CO 0.08 0.29 0.16 -0.07 0.37 0.00 0.00 175.52 176.35 2hee h LEU 12 N 0.43 0.94 -0.50 2.58 3.38 -0.73 -2.00 115.31 119.41 2hee h LEU 12 Ca 0.11 -0.18 -0.03 0.00 0.09 0.00 0.00 57.88 57.86 2hee h LEU 12 Cb 0.37 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 40.85 2hee h LEU 12 CO 0.01 0.91 0.18 0.50 0.09 0.00 0.00 178.44 180.13 2hee h LYS 13 N 0.96 0.77 -0.12 1.13 3.64 -1.11 -1.88 116.57 119.95 2hee h LYS 13 Ca 0.20 -0.15 -0.04 0.00 -1.27 0.00 0.00 60.65 59.40 2hee h LYS 13 Cb 0.33 -0.12 -0.01 0.00 -0.41 0.00 0.00 32.23 32.02 2hee h LYS 13 CO -0.00 0.70 -0.10 -0.09 -2.27 0.00 0.00 179.45 177.69 2hee h ARG 14 N 0.68 0.18 -0.14 1.90 2.43 -0.97 -1.46 114.38 116.98 2hee h ARG 14 Ca 0.17 -0.03 0.00 0.00 -0.81 0.00 0.00 59.98 59.30 2hee h ARG 14 Cb 0.23 -0.03 0.00 0.00 -0.42 0.00 0.00 29.97 29.75 2hee h ARG 14 CO -0.01 0.29 0.00 1.28 -1.51 0.00 0.00 179.97 180.02 2hee n LEU 15 N -4.33 0.77 -1.40 3.80 4.77 -0.78 -4.91 117.00 114.93 2hee n LEU 15 Ca -0.01 -0.39 -0.11 0.00 -0.03 0.00 0.00 56.01 55.48 2hee n LEU 15 Cb 0.23 -0.10 0.01 0.00 -2.33 0.00 0.00 43.42 41.23 2hee n LEU 15 CO 0.37 0.19 -0.07 0.61 -1.33 0.00 0.00 177.39 177.17 2hee n GLY 16 N 0.73 0.01 0.15 -0.72 0.00 -0.55 -4.95 105.19 99.86 2hee n GLY 16 Ca 0.05 -0.39 0.11 0.00 0.00 0.00 0.00 46.02 45.79 2hee n GLY 16 CO 0.00 0.00 0.00 -0.33 0.00 0.00 0.00 173.32 172.99 2hee h MET 17 N -0.34 0.00 -6.27 1.61 2.86 -1.53 -3.41 114.93 107.85 2hee h MET 17 Ca -0.25 0.00 -0.57 0.00 -2.06 0.00 0.00 59.70 56.82 2hee h MET 17 Cb 1.18 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 32.82 2hee h MET 17 CO 0.29 0.01 1.20 0.34 1.06 0.00 0.00 176.91 179.81 2hee s ASP 18 N -5.66 6.17 0.00 1.22 2.15 -1.26 -2.00 116.67 117.28 2hee s ASP 18 Ca 0.02 1.58 0.00 0.00 0.43 0.00 0.00 52.55 54.58 2hee s ASP 18 Cb 0.08 -2.53 0.00 0.00 -0.30 0.00 0.00 42.92 40.17 2hee s ASP 18 CO 0.75 -1.44 0.00 0.61 -0.17 0.00 0.00 175.17 174.92 2hee n GLY 19 N 4.98 0.77 3.65 2.66 0.00 0.41 -4.91 105.19 112.76 2hee n GLY 19 Ca 0.21 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.80 2hee n GLY 19 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 2hee n TYR 20 N -2.37 2.45 -3.73 1.61 9.36 -0.85 -1.15 117.16 122.48 2hee n TYR 20 Ca 0.00 -0.33 -0.28 0.00 3.32 0.00 0.00 57.90 60.60 2hee n TYR 20 Cb 0.00 -2.79 0.02 0.00 -0.63 0.00 0.00 39.34 35.94 2hee n TYR 20 CO 0.00 0.00 0.00 0.54 0.22 0.00 0.00 176.86 177.62 2hee n ARG 21 N 7.61 -5.13 -0.96 2.98 5.12 -1.26 -1.38 116.66 123.65 2hee n ARG 21 Ca 0.21 0.61 0.00 0.00 -1.93 0.00 0.00 57.85 56.74 2hee n ARG 21 Cb 0.40 -5.47 0.00 0.00 -1.16 0.00 0.00 32.46 26.23 2hee n ARG 21 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 2hee n GLY 22 N -1.59 0.67 3.48 -0.13 0.00 -0.30 -5.00 105.19 102.31 2hee n GLY 22 Ca 0.02 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.66 2hee n GLY 22 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2hee s ILE 23 N -2.60 4.71 0.73 -0.61 1.01 -0.48 -4.91 121.20 119.04 2hee s ILE 23 Ca 0.00 -0.22 -0.14 0.00 0.00 0.00 0.00 60.65 60.29 2hee s ILE 23 Cb 0.00 -3.31 0.04 0.00 0.01 0.00 0.00 42.46 39.19 2hee s ILE 23 CO 0.00 0.17 1.14 -0.94 0.00 0.00 0.00 174.94 175.31 2hee s SER 24 N 1.65 4.48 0.22 3.58 1.04 -1.26 -0.45 113.70 122.97 2hee s SER 24 Ca 0.06 2.09 -0.08 0.00 0.48 0.00 0.00 55.95 58.50 2hee s SER 24 Cb -0.16 -2.56 0.25 0.00 0.10 0.00 0.00 66.02 63.65 2hee s SER 24 CO 0.07 -2.05 1.85 0.25 0.98 0.00 0.00 173.24 174.33 2hee h LEU 25 N -0.49 0.75 -1.81 2.42 5.85 -1.91 -1.84 115.31 118.28 2hee h LEU 25 Ca -0.46 0.01 0.03 0.00 0.84 0.00 0.00 57.88 58.30 2hee h LEU 25 Cb 1.26 -0.15 -0.01 0.00 0.37 0.00 0.00 40.66 42.13 2hee h LEU 25 CO 0.51 0.50 0.19 0.00 -0.34 0.00 0.00 178.44 179.30 2hee h ALA 26 N 1.35 1.95 -0.19 1.25 0.00 -1.92 -0.23 119.26 121.48 2hee h ALA 26 Ca 0.32 -0.01 -0.19 0.00 0.00 0.00 0.00 54.91 55.03 2hee h ALA 26 Cb 0.10 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.82 2hee h ALA 26 CO -0.14 0.01 -0.64 -0.91 0.00 0.00 0.00 179.25 177.56 2hee h ASN 27 N 0.25 0.81 -0.16 0.00 2.35 -1.67 -0.73 115.58 116.42 2hee h ASN 27 Ca 0.12 -0.48 -0.10 0.00 -0.55 0.00 0.00 56.30 55.29 2hee h ASN 27 Cb 0.16 -0.23 -0.01 0.00 0.05 0.00 0.00 38.32 38.28 2hee h ASN 27 CO -0.02 1.25 -0.20 -0.50 -1.65 0.00 0.00 177.43 176.30 2hee h TRP 28 N 0.52 0.66 -0.23 1.19 4.06 -0.89 -1.19 115.95 120.06 2hee h TRP 28 Ca -0.01 -0.13 -0.08 0.00 2.06 0.00 0.00 58.89 60.72 2hee h TRP 28 Cb 1.24 -0.16 -0.01 0.00 -1.00 0.00 0.00 29.16 29.23 2hee h TRP 28 CO 0.07 0.75 -0.16 0.52 -3.56 0.00 0.00 178.44 176.06 2hee h MET 29 N 0.53 0.53 -0.85 0.49 2.86 -0.94 -1.57 114.93 115.98 2hee h MET 29 Ca 0.08 -0.25 0.02 0.00 -2.06 0.00 0.00 59.70 57.49 2hee h MET 29 Cb 0.64 -0.00 -0.05 0.00 0.06 0.00 0.00 31.60 32.25 2hee h MET 29 CO 0.05 0.82 0.56 0.00 1.06 0.00 0.00 176.91 179.40 2hee h LEU 31 N 1.12 0.14 -1.09 0.00 5.85 -1.07 -2.48 115.31 117.78 2hee h LEU 31 Ca 0.33 -0.17 -0.05 0.00 0.84 0.00 0.00 57.88 58.83 2hee h LEU 31 Cb -0.07 -0.04 -0.02 0.00 0.37 0.00 0.00 40.66 40.90 2hee h LEU 31 CO -0.09 0.26 0.10 0.00 -0.34 0.00 0.00 178.44 178.37 2hee h ALA 32 N 0.88 1.26 -0.10 1.25 0.00 -1.03 -0.12 119.26 121.39 2hee h ALA 32 Ca 0.03 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.75 2hee h ALA 32 Cb 0.17 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.76 2hee h ALA 32 CO -0.00 0.51 0.06 -0.22 0.00 0.00 0.00 179.25 179.60 2hee h LYS 33 N 0.72 0.12 0.00 0.00 1.63 -1.05 -1.50 116.57 116.48 2hee h LYS 33 Ca 0.16 -0.01 -0.08 0.00 -0.85 0.00 0.00 60.65 59.87 2hee h LYS 33 Cb 0.30 -0.03 -0.01 0.00 -0.60 0.00 0.00 32.23 31.89 2hee h LYS 33 CO 0.00 0.08 -0.50 -1.49 -3.45 0.00 0.00 179.45 174.09 2hee h TRP 34 N 0.12 0.00 0.10 1.91 4.06 -1.31 -1.06 115.95 119.77 2hee h TRP 34 Ca 0.04 0.00 -0.18 0.00 2.06 0.00 0.00 58.89 60.81 2hee h TRP 34 Cb -0.00 0.00 0.02 0.00 -1.00 0.00 0.00 29.16 28.18 2hee h TRP 34 CO -0.08 0.33 -0.76 0.93 -3.56 0.00 0.00 178.44 175.30 2hee h GLU 35 N 0.00 0.35 0.00 0.49 4.39 -0.93 -3.43 114.58 115.44 2hee h GLU 35 Ca -0.02 -0.50 0.00 0.00 0.34 0.00 0.00 59.36 59.18 2hee h GLU 35 Cb 1.27 0.17 0.00 0.00 -0.10 0.00 0.00 28.75 30.10 2hee h GLU 35 CO 0.04 1.20 0.00 -1.13 -1.16 0.00 0.00 179.01 177.96 2hee n SER 36 N -4.14 0.07 -1.01 1.42 3.41 -0.61 -4.85 113.62 107.91 2hee n SER 36 Ca -0.13 -0.49 -0.09 0.00 -0.26 0.00 0.00 58.87 57.90 2hee n SER 36 Cb 0.78 0.08 -0.00 0.00 -0.26 0.00 0.00 64.21 64.81 2hee n SER 36 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2hee n GLY 37 N 0.08 0.01 2.37 5.00 0.00 -0.40 -2.67 105.19 109.58 2hee n GLY 37 Ca 0.00 -0.52 -0.16 0.00 0.00 0.00 0.00 46.02 45.35 2hee n GLY 37 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 2hee n TYR 38 N -4.01 -0.37 -3.59 1.61 0.53 -1.16 -4.80 117.16 105.38 2hee n TYR 38 Ca -0.10 0.00 -0.39 0.00 -1.02 0.00 0.00 57.90 56.39 2hee n TYR 38 Cb 0.58 -2.97 -0.11 0.00 -1.03 0.00 0.00 39.34 35.81 2hee n TYR 38 CO 0.00 0.00 0.00 1.21 -1.02 0.00 0.00 176.86 177.05 2hee s ASN 39 N -2.57 5.90 0.48 7.72 2.47 -1.09 -1.22 114.94 126.63 2hee s ASN 39 Ca 0.00 -0.25 0.27 0.00 0.42 0.00 0.00 52.86 53.30 2hee s ASN 39 Cb 0.00 -2.10 1.09 0.00 -1.45 0.00 0.00 41.25 38.79 2hee s ASN 39 CO 0.00 -0.14 1.89 0.71 -3.72 0.00 0.00 177.10 175.84 2hee h THR 40 N 5.47 0.36 -0.53 -5.21 1.35 -1.33 -3.03 112.91 109.98 2hee h THR 40 Ca -0.33 -0.88 0.00 0.00 -0.55 0.00 0.00 66.41 64.64 2hee h THR 40 Cb 1.17 1.66 0.00 0.00 -1.73 0.00 0.00 68.15 69.25 2hee h THR 40 CO 0.59 0.14 0.00 -2.11 -0.25 0.00 0.00 175.52 173.89 2hee n ARG 41 N -3.30 2.50 -1.71 4.72 1.85 -1.26 -4.11 116.66 115.35 2hee n ARG 41 Ca 0.00 -2.30 -0.43 0.00 -1.00 0.00 0.00 57.85 54.12 2hee n ARG 41 Cb 0.38 -1.52 -0.03 0.00 -1.05 0.00 0.00 32.46 30.24 2hee n ARG 41 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 2hee n ALA 42 N 1.43 2.59 -2.88 2.89 0.00 -1.15 -4.78 120.51 118.61 2hee n ALA 42 Ca 0.21 0.41 -0.12 0.00 0.00 0.00 0.00 53.44 53.93 2hee n ALA 42 Cb 0.57 -2.50 -0.12 0.00 0.00 0.00 0.00 19.45 17.41 2hee n ALA 42 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 2hee s THR 43 N 1.18 0.40 -0.14 0.00 -4.23 -1.26 -0.79 115.64 110.80 2hee s THR 43 Ca 0.76 -0.91 -0.05 0.00 -1.18 0.00 0.00 61.69 60.31 2hee s THR 43 Cb -0.53 -0.47 0.07 0.00 1.34 0.00 0.00 72.50 72.91 2hee s THR 43 CO 0.33 -0.35 0.26 0.20 -0.54 0.00 0.00 174.62 174.53 2hee s ASN 44 N -1.34 0.44 -0.01 3.99 -0.87 -0.52 -4.97 114.94 111.66 2hee s ASN 44 Ca -0.10 0.51 -0.23 0.00 -1.57 0.00 0.00 52.86 51.47 2hee s ASN 44 Cb -0.09 0.69 -0.05 0.00 -0.02 0.00 0.00 41.25 41.78 2hee s ASN 44 CO -0.00 -0.25 0.70 -0.47 -2.57 0.00 0.00 177.10 174.51 2hee s TYR 45 N 2.42 3.67 -0.80 2.20 6.14 -1.26 -0.46 117.35 129.25 2hee s TYR 45 Ca 0.02 1.33 -0.12 0.00 0.64 0.00 0.00 57.07 58.95 2hee s TYR 45 Cb -0.12 -2.76 0.21 0.00 0.42 0.00 0.00 41.96 39.70 2hee s TYR 45 CO -0.09 0.23 0.72 -0.80 0.64 0.00 0.00 175.55 176.25 2hee s ASN 46 N 0.20 6.50 0.28 4.32 0.01 0.35 -4.92 114.94 121.68 2hee s ASN 46 Ca 0.36 -2.78 0.02 0.00 -0.71 0.00 0.00 52.86 49.76 2hee s ASN 46 Cb -0.19 -2.14 0.66 0.00 0.41 0.00 0.00 41.25 39.99 2hee s ASN 46 CO 0.20 -0.52 1.73 0.00 -1.51 0.00 0.00 177.10 177.00 2hee h ALA 47 N 7.56 1.41 -0.51 0.60 0.00 -1.96 -0.29 119.26 126.08 2hee h ALA 47 Ca 0.09 0.13 0.10 0.00 0.00 0.00 0.00 54.91 55.23 2hee h ALA 47 Cb 1.01 0.07 -0.03 0.00 0.00 0.00 0.00 17.79 18.85 2hee h ALA 47 CO 0.75 -0.23 0.35 0.78 0.00 0.00 0.00 179.25 180.90 2hee h GLY 48 N 0.51 0.33 0.00 0.00 0.00 -1.95 -3.26 103.07 98.70 2hee h GLY 48 Ca 0.53 -0.10 0.00 0.00 0.00 0.00 0.00 47.33 47.76 2hee h GLY 48 CO -0.46 0.06 0.00 2.09 0.00 0.00 0.00 176.54 178.23 2hee n ASP 49 N -4.45 0.76 -1.15 0.19 5.75 -0.86 -5.03 116.55 111.76 2hee n ASP 49 Ca 0.08 -1.34 -0.14 0.00 -0.01 0.00 0.00 54.79 53.38 2hee n ASP 49 Cb 0.41 0.00 -0.05 0.00 -1.03 0.00 0.00 41.12 40.45 2hee n ASP 49 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 2hee n ARG 50 N -0.17 -0.99 -3.98 0.11 1.74 -0.17 -4.83 116.66 108.36 2hee n ARG 50 Ca 0.00 0.95 -0.22 0.00 -0.77 0.00 0.00 57.85 57.81 2hee n ARG 50 Cb 0.35 -5.07 -0.04 0.00 -1.02 0.00 0.00 32.46 26.68 2hee n ARG 50 CO 0.00 0.00 0.00 -1.54 -1.52 0.00 0.00 177.63 174.57 2hee s SER 51 N -2.78 5.36 0.00 0.55 1.04 -1.23 -4.51 113.70 112.13 2hee s SER 51 Ca 0.00 -0.39 0.03 0.00 0.48 0.00 0.00 55.95 56.07 2hee s SER 51 Cb 0.00 -1.17 -0.01 0.00 0.10 0.00 0.00 66.02 64.94 2hee s SER 51 CO 0.00 -0.19 -0.08 -0.89 0.98 0.00 0.00 173.24 173.06 2hee s THR 52 N -2.23 0.65 -0.17 2.02 2.01 -1.26 -0.50 115.64 116.16 2hee s THR 52 Ca 0.37 -0.44 -0.12 0.00 0.31 0.00 0.00 61.69 61.81 2hee s THR 52 Cb -0.07 -0.56 -0.05 0.00 0.01 0.00 0.00 72.50 71.84 2hee s THR 52 CO 0.25 0.12 0.22 -1.81 -0.69 0.00 0.00 174.62 172.72 2hee s ASP 53 N -0.36 6.34 -0.05 3.53 1.01 0.39 -1.41 116.67 126.13 2hee s ASP 53 Ca 0.02 0.39 0.06 0.00 0.71 0.00 0.00 52.55 53.73 2hee s ASP 53 Cb -0.04 -2.14 -0.01 0.00 1.01 0.00 0.00 42.92 41.74 2hee s ASP 53 CO -0.00 0.14 -0.23 -0.31 0.21 0.00 0.00 175.17 174.98 2hee s TYR 54 N 0.37 2.22 0.00 4.23 2.02 0.47 -1.43 117.35 125.23 2hee s TYR 54 Ca 0.13 -0.64 0.00 0.00 -0.37 0.00 0.00 57.07 56.19 2hee s TYR 54 Cb -0.12 -1.46 0.00 0.00 -0.40 0.00 0.00 41.96 39.98 2hee s TYR 54 CO 0.01 -0.19 0.00 0.41 -1.57 0.00 0.00 175.55 174.22 2hee n GLY 55 N 2.96 -2.36 0.36 0.71 0.00 0.03 -0.91 105.19 105.97 2hee n GLY 55 Ca -0.17 -1.61 0.13 0.00 0.00 0.00 0.00 46.02 44.37 2hee n GLY 55 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 2hee h ILE 56 N 0.00 0.86 -0.40 -0.61 2.10 -1.71 -1.17 117.51 116.59 2hee h ILE 56 Ca 0.00 -0.13 0.00 0.00 1.08 0.00 0.00 64.86 65.81 2hee h ILE 56 Cb 0.00 0.45 0.00 0.00 -1.09 0.00 0.00 36.82 36.18 2hee h ILE 56 CO 0.00 0.07 0.00 0.49 -1.08 0.00 0.00 178.15 177.63 2hee n PHE 57 N -4.47 0.53 -3.60 2.19 3.01 -1.26 -3.99 117.46 109.87 2hee n PHE 57 Ca 0.11 -0.42 -0.28 0.00 1.01 0.00 0.00 57.45 57.87 2hee n PHE 57 Cb 0.42 -0.02 0.05 0.00 -0.01 0.00 0.00 39.48 39.92 2hee n PHE 57 CO 0.00 0.00 0.00 1.04 1.01 0.00 0.00 176.76 178.81 2hee n GLN 58 N 0.89 -1.54 -2.23 -1.08 1.13 -0.44 -4.90 117.38 109.20 2hee n GLN 58 Ca 0.15 0.54 -0.42 0.00 -1.94 0.00 0.00 57.00 55.33 2hee n GLN 58 Cb 0.47 -4.48 -0.03 0.00 0.11 0.00 0.00 30.24 26.32 2hee n GLN 58 CO 0.00 0.00 0.00 0.20 -1.44 0.00 0.00 177.06 175.82 2hee s GLY 59 N -3.49 2.17 0.03 1.08 0.00 -0.09 -4.39 107.32 102.63 2hee s GLY 59 Ca 0.46 1.06 -0.24 0.00 0.00 0.00 0.00 44.72 46.00 2hee s GLY 59 CO 0.84 2.22 0.74 0.21 0.00 0.00 0.00 173.10 177.11 2hee s ASN 60 N 0.91 7.18 0.17 1.64 3.84 -1.26 -0.39 114.94 127.02 2hee s ASN 60 Ca 0.62 1.40 0.18 0.00 0.21 0.00 0.00 52.86 55.27 2hee s ASN 60 Cb -0.35 -2.45 0.81 0.00 -0.55 0.00 0.00 41.25 38.70 2hee s ASN 60 CO 0.32 0.02 1.56 -1.54 -2.79 0.00 0.00 177.10 174.67 2hee n SER 61 N 2.83 0.40 0.08 -4.21 3.41 -0.50 -0.78 113.62 114.85 2hee n SER 61 Ca -0.03 0.62 -0.12 0.00 -0.26 0.00 0.00 58.87 59.08 2hee n SER 61 Cb 0.50 -0.70 -0.13 0.00 -0.26 0.00 0.00 64.21 63.62 2hee n SER 61 CO 0.00 0.00 0.00 -0.09 -0.16 0.00 0.00 175.04 174.79 2hee h ARG 62 N 0.00 0.16 0.00 4.33 2.43 -1.83 -3.41 114.38 116.05 2hee h ARG 62 Ca 0.00 -0.27 -0.06 0.00 -0.81 0.00 0.00 59.98 58.84 2hee h ARG 62 Cb 0.24 0.10 -0.01 0.00 -0.42 0.00 0.00 29.97 29.88 2hee h ARG 62 CO 0.00 1.11 -1.21 0.66 -1.51 0.00 0.00 179.97 179.01 2hee n TYR 63 N -3.44 0.00 -0.13 2.20 4.02 -1.11 0.02 117.16 118.71 2hee n TYR 63 Ca -0.06 0.00 -0.23 0.00 -0.01 0.00 0.00 57.90 57.60 2hee n TYR 63 Cb 0.99 -0.15 -0.11 0.00 -0.02 0.00 0.00 39.34 40.05 2hee n TYR 63 CO 0.00 0.00 0.00 0.91 -1.01 0.00 0.00 176.86 176.76 2hee n TRP 64 N -2.38 0.05 -4.30 -0.72 7.02 0.04 -1.20 117.44 115.95 2hee n TRP 64 Ca -0.06 0.01 -0.16 0.00 -1.02 0.00 0.00 57.50 56.27 2hee n TRP 64 Cb 0.58 -1.01 -0.10 0.00 -2.42 0.00 0.00 31.31 28.37 2hee n TRP 64 CO 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 177.69 175.67 2hee s ASN 66 N -3.26 5.41 0.00 0.00 2.47 -0.08 -4.38 114.94 115.11 2hee s ASN 66 Ca 0.24 -0.06 0.03 0.00 0.42 0.00 0.00 52.86 53.48 2hee s ASN 66 Cb 0.04 -1.95 0.01 0.00 -1.45 0.00 0.00 41.25 37.90 2hee s ASN 66 CO 0.06 0.06 0.45 -0.90 -3.72 0.00 0.00 177.10 173.05 2hee n ASP 67 N 4.26 0.91 0.00 -4.21 5.68 -1.26 -1.35 116.55 120.58 2hee n ASP 67 Ca -0.16 -0.96 0.00 0.00 -0.50 0.00 0.00 54.79 53.17 2hee n ASP 67 Cb 0.52 0.27 0.00 0.00 -1.14 0.00 0.00 41.12 40.77 2hee n ASP 67 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2hee n GLY 68 N 0.39 2.78 0.51 6.12 0.00 -1.26 -4.78 105.19 108.96 2hee n GLY 68 Ca 0.01 0.00 0.05 0.00 0.00 0.00 0.00 46.02 46.08 2hee n GLY 68 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 2hee n LYS 69 N -1.96 1.81 -3.47 1.61 2.85 -1.26 -4.96 118.16 112.79 2hee n LYS 69 Ca 0.00 -1.62 -0.40 0.00 -1.05 0.00 0.00 58.31 55.25 2hee n LYS 69 Cb 0.00 -1.23 -0.10 0.00 -0.65 0.00 0.00 35.03 33.06 2hee n LYS 69 CO 0.00 0.00 0.00 0.99 -0.05 0.00 0.00 177.40 178.34 2hee s THR 70 N -0.94 5.23 0.54 0.58 2.01 -1.26 -4.97 115.64 116.83 2hee s THR 70 Ca 0.17 0.17 -0.22 0.00 0.31 0.00 0.00 61.69 62.12 2hee s THR 70 Cb 0.10 -3.70 -0.05 0.00 0.01 0.00 0.00 72.50 68.86 2hee s THR 70 CO 0.14 0.07 1.34 -2.65 -0.69 0.00 0.00 174.62 172.83 2hee n PRO 71 N 5.24 1.69 -3.87 4.92 -0.02 -1.26 -3.12 135.00 138.58 2hee n PRO 71 Ca -0.11 0.62 -0.31 0.00 -2.02 0.00 0.00 63.50 61.68 2hee n PRO 71 Cb 0.50 -2.55 -0.01 0.00 -0.02 0.00 0.00 33.50 31.42 2hee n PRO 71 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2hee n GLY 72 N 0.77 -0.47 3.82 -1.23 0.00 -1.26 -4.93 105.19 101.90 2hee n GLY 72 Ca 0.10 0.12 -0.38 0.00 0.00 0.00 0.00 46.02 45.86 2hee n GLY 72 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2hee s ALA 73 N -3.13 3.58 0.31 4.61 0.00 -1.18 -4.94 121.76 121.01 2hee s ALA 73 Ca 0.61 0.01 0.08 0.00 0.00 0.00 0.00 51.96 52.66 2hee s ALA 73 Cb -0.33 -2.62 -0.04 0.00 0.00 0.00 0.00 23.12 20.13 2hee s ALA 73 CO 0.75 0.41 0.16 0.14 0.00 0.00 0.00 175.76 177.22 2hee s VAL 74 N -1.18 3.50 -0.53 0.00 -7.23 0.10 -5.00 120.40 110.07 2hee s VAL 74 Ca 0.31 -1.60 0.07 0.00 -1.81 0.00 0.00 61.98 58.95 2hee s VAL 74 Cb -0.19 -3.09 0.24 0.00 0.56 0.00 0.00 36.38 33.91 2hee s VAL 74 CO 0.19 -0.25 0.63 -3.20 -0.31 0.00 0.00 175.10 172.16 2hee n ASN 75 N -1.17 2.12 0.05 4.85 5.15 -1.25 -3.83 115.26 121.17 2hee n ASN 75 Ca -0.04 -3.09 0.08 0.00 -0.60 0.00 0.00 54.58 50.93 2hee n ASN 75 Cb 0.60 -0.66 0.52 0.00 -0.53 0.00 0.00 39.78 39.71 2hee n ASN 75 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 2hee h ALA 76 N 4.22 1.92 -0.00 5.20 0.00 -1.16 -0.62 119.26 128.82 2hee h ALA 76 Ca 0.15 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.04 2hee h ALA 76 Cb 0.76 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.47 2hee h ALA 76 CO 0.66 0.02 -0.17 0.00 0.00 0.00 0.00 179.25 179.77 2hee n HIS 78 N -1.31 -2.01 -4.03 0.00 -0.00 -0.24 -4.98 115.22 102.65 2hee n HIS 78 Ca 0.09 0.84 -0.10 0.00 -0.00 0.00 0.00 57.72 58.56 2hee n HIS 78 Cb 0.31 -4.48 -0.11 0.00 -0.00 0.00 0.00 29.99 25.71 2hee n HIS 78 CO 0.00 0.00 0.00 -0.51 -0.00 0.00 0.00 176.34 175.83 2hee s LEU 79 N -6.51 2.29 0.38 2.41 1.43 -1.26 -5.07 118.68 112.35 2hee s LEU 79 Ca 0.06 -0.59 -0.24 0.00 -1.03 0.00 0.00 54.13 52.33 2hee s LEU 79 Cb -0.01 0.02 -0.10 0.00 0.03 0.00 0.00 46.19 46.13 2hee s LEU 79 CO 0.79 -0.31 0.97 -0.55 0.23 0.00 0.00 176.35 177.48 2hee s SER 80 N -1.73 7.02 0.61 2.29 0.15 -1.26 -0.90 113.70 119.88 2hee s SER 80 Ca -0.10 1.83 0.39 0.00 0.70 0.00 0.00 55.95 58.77 2hee s SER 80 Cb -0.07 -2.57 1.95 0.00 -1.71 0.00 0.00 66.02 63.62 2hee s SER 80 CO -0.02 -0.30 2.21 0.00 1.20 0.00 0.00 173.24 176.33 2hee h SER 82 N 0.00 0.27 0.32 0.00 0.87 -1.91 -1.17 113.55 111.93 2hee h SER 82 Ca -0.00 -0.00 -0.02 0.00 -1.23 0.00 0.00 61.79 60.53 2hee h SER 82 Cb 0.21 -0.06 -0.00 0.00 -0.44 0.00 0.00 62.40 62.10 2hee h SER 82 CO 0.00 0.18 -0.11 0.00 -0.53 0.00 0.00 176.83 176.38 2hee h ALA 83 N 1.82 1.33 -0.22 6.23 0.00 -1.54 -1.61 119.26 125.27 2hee h ALA 83 Ca 0.13 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.94 2hee h ALA 83 Cb 0.15 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.92 2hee h ALA 83 CO -0.03 0.14 0.00 1.28 0.00 0.00 0.00 179.25 180.64 2hee n LEU 84 N -3.69 1.48 -0.49 0.00 4.77 -0.44 -3.67 117.00 114.95 2hee n LEU 84 Ca -0.02 -0.69 0.05 0.00 -0.03 0.00 0.00 56.01 55.33 2hee n LEU 84 Cb 0.22 -0.14 0.08 0.00 -2.33 0.00 0.00 43.42 41.25 2hee n LEU 84 CO 0.30 0.34 0.50 0.18 -1.33 0.00 0.00 177.39 177.38 2hee n LEU 85 N 0.25 2.26 -4.81 2.23 4.77 -0.60 -3.37 117.00 117.73 2hee n LEU 85 Ca 0.13 -1.38 -0.31 0.00 -0.03 0.00 0.00 56.01 54.42 2hee n LEU 85 Cb 0.27 -0.08 0.07 0.00 -2.33 0.00 0.00 43.42 41.34 2hee n LEU 85 CO 0.09 0.50 0.71 -1.10 -1.33 0.00 0.00 177.39 176.26 2hee s GLN 86 N -0.92 2.56 0.26 3.23 -0.21 -1.24 -4.52 119.66 118.82 2hee s GLN 86 Ca 0.16 0.83 0.12 0.00 0.02 0.00 0.00 55.36 56.49 2hee s GLN 86 Cb 0.10 -1.96 0.23 0.00 1.00 0.00 0.00 33.01 32.38 2hee s GLN 86 CO 0.14 -1.33 1.52 -0.44 -2.12 0.00 0.00 175.29 173.05 2hee h ASP 87 N -0.89 0.00 -3.34 5.90 3.32 -1.94 -3.41 116.42 116.06 2hee h ASP 87 Ca -0.45 0.00 -0.60 0.00 0.02 0.00 0.00 57.03 56.00 2hee h ASP 87 Cb 1.23 0.00 -0.09 0.00 0.22 0.00 0.00 39.33 40.69 2hee h ASP 87 CO 0.58 0.64 0.39 0.21 -1.72 0.00 0.00 179.24 179.34 2hee s ASN 88 N -6.64 6.76 -0.04 6.45 3.84 -1.26 -4.94 114.94 119.11 2hee s ASN 88 Ca 0.01 0.92 0.11 0.00 0.21 0.00 0.00 52.86 54.11 2hee s ASN 88 Cb 0.11 -2.41 0.39 0.00 -0.55 0.00 0.00 41.25 38.79 2hee s ASN 88 CO 0.76 -0.49 1.27 2.30 -2.79 0.00 0.00 177.10 178.14 2hee n ILE 89 N 5.27 0.85 -0.18 -5.21 -5.35 -1.26 -4.47 119.36 109.02 2hee n ILE 89 Ca 0.04 -0.62 -0.02 0.00 -0.27 0.00 0.00 62.75 61.88 2hee n ILE 89 Cb 0.48 0.07 0.08 0.00 -1.74 0.00 0.00 39.64 38.52 2hee n ILE 89 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 2hee h ALA 90 N 3.55 0.68 -0.44 -1.28 0.00 -1.95 0.11 119.26 119.94 2hee h ALA 90 Ca 0.00 0.06 -0.13 0.00 0.00 0.00 0.00 54.91 54.84 2hee h ALA 90 Cb 0.79 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.59 2hee h ALA 90 CO 0.09 -0.17 -0.23 -0.44 0.00 0.00 0.00 179.25 178.50 2hee h ASP 91 N 0.41 0.95 -0.67 0.00 3.45 -1.87 -1.01 116.42 117.69 2hee h ASP 91 Ca 0.26 -0.41 -0.03 0.00 0.43 0.00 0.00 57.03 57.29 2hee h ASP 91 Cb 0.27 -0.26 -0.03 0.00 -0.56 0.00 0.00 39.33 38.74 2hee h ASP 91 CO -0.24 1.15 0.33 0.00 -1.57 0.00 0.00 179.24 178.90 2hee h ALA 92 N 0.83 1.27 -0.34 3.45 0.00 -1.65 -1.25 119.26 121.58 2hee h ALA 92 Ca 0.10 -0.14 -0.15 0.00 0.00 0.00 0.00 54.91 54.71 2hee h ALA 92 Cb 0.80 -0.28 -0.00 0.00 0.00 0.00 0.00 17.79 18.31 2hee h ALA 92 CO 0.07 0.56 -0.38 0.28 0.00 0.00 0.00 179.25 179.77 2hee h VAL 93 N 0.98 1.28 -0.62 0.00 2.07 -0.64 -1.41 116.25 117.92 2hee h VAL 93 Ca 0.24 -1.56 -0.04 0.00 0.82 0.00 0.00 66.70 66.16 2hee h VAL 93 Cb 0.11 1.49 -0.03 0.00 -1.52 0.00 0.00 31.29 31.34 2hee h VAL 93 CO -0.03 0.51 0.24 0.00 0.02 0.00 0.00 177.57 178.31 2hee h ALA 94 N 0.73 1.26 -0.12 1.67 0.00 -0.75 -1.13 119.26 120.93 2hee h ALA 94 Ca 0.05 -0.16 -0.20 0.00 0.00 0.00 0.00 54.91 54.59 2hee h ALA 94 Cb 0.98 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 18.52 2hee h ALA 94 CO 0.09 0.54 -0.74 0.00 0.00 0.00 0.00 179.25 179.14 2hee h ALA 96 N 0.77 1.23 -0.63 0.00 0.00 -0.89 -1.26 119.26 118.48 2hee h ALA 96 Ca -0.04 -0.24 -0.07 0.00 0.00 0.00 0.00 54.91 54.57 2hee h ALA 96 Cb 1.34 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 18.93 2hee h ALA 96 CO 0.14 0.51 0.11 0.87 0.00 0.00 0.00 179.25 180.89 2hee h LYS 97 N 0.63 1.01 -0.42 0.00 1.57 -1.08 -2.77 116.57 115.51 2hee h LYS 97 Ca 0.13 -0.25 -0.02 0.00 -1.87 0.00 0.00 60.65 58.64 2hee h LYS 97 Cb 0.39 -0.13 -0.02 0.00 0.08 0.00 0.00 32.23 32.56 2hee h LYS 97 CO 0.01 0.92 0.19 -0.09 -0.57 0.00 0.00 179.45 179.92 2hee h ARG 98 N 0.96 0.62 -0.54 3.15 9.65 -0.96 -2.84 114.38 124.41 2hee h ARG 98 Ca 0.19 -0.10 0.07 0.00 -1.10 0.00 0.00 59.98 59.04 2hee h ARG 98 Cb 0.40 -0.11 -0.06 0.00 -1.39 0.00 0.00 29.97 28.81 2hee h ARG 98 CO 0.01 0.56 0.23 0.28 2.80 0.00 0.00 179.97 183.85 2hee h VAL 99 N 0.54 0.87 0.00 0.20 2.07 -1.00 -1.83 116.25 117.10 2hee h VAL 99 Ca 0.14 -0.15 0.00 0.00 0.82 0.00 0.00 66.70 67.51 2hee h VAL 99 Cb 0.15 0.39 0.00 0.00 -1.52 0.00 0.00 31.29 30.31 2hee h VAL 99 CO -0.02 0.08 0.00 1.33 0.02 0.00 0.00 177.57 178.99 2hee n VAL 100 N -4.94 0.22 0.82 2.57 0.24 -1.07 -2.29 118.33 113.88 2hee n VAL 100 Ca 0.06 0.05 0.13 0.00 -2.04 0.00 0.00 64.34 62.54 2hee n VAL 100 Cb 0.20 -0.66 0.52 0.00 -1.47 0.00 0.00 33.84 32.43 2hee n VAL 100 CO 0.00 0.00 0.00 0.54 -2.14 0.00 0.00 176.83 175.23 2hee n ARG 101 N -1.26 0.06 -1.97 7.34 1.74 -0.69 -4.27 116.66 117.62 2hee n ARG 101 Ca 0.12 0.10 -0.31 0.00 -0.77 0.00 0.00 57.85 56.99 2hee n ARG 101 Cb 0.18 -1.58 0.00 0.00 -1.02 0.00 0.00 32.46 30.05 2hee n ARG 101 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 2hee s ASP 102 N -3.36 6.28 0.46 0.55 -0.00 -0.97 -4.98 116.67 114.66 2hee s ASP 102 Ca 0.12 1.42 0.20 0.00 -0.00 0.00 0.00 52.55 54.29 2hee s ASP 102 Cb 0.16 -2.47 1.19 0.00 -0.00 0.00 0.00 42.92 41.80 2hee s ASP 102 CO 0.50 -0.82 1.92 1.55 -0.00 0.00 0.00 175.17 178.32 2hee h PRO 103 N -0.13 0.26 0.00 8.23 0.13 -1.88 -2.09 132.00 136.53 2hee h PRO 103 Ca -0.44 -0.02 -0.04 0.00 -0.87 0.00 0.00 66.00 64.63 2hee h PRO 103 Cb 1.19 -0.06 -0.01 0.00 0.13 0.00 0.00 31.00 32.25 2hee h PRO 103 CO 0.62 0.17 -0.19 1.96 -0.23 0.00 0.00 178.00 180.34 2hee h GLN 104 N 0.27 0.00 0.00 0.86 4.20 -1.90 -3.48 115.11 115.06 2hee h GLN 104 Ca 0.37 0.00 0.00 0.00 0.06 0.00 0.00 58.65 59.08 2hee h GLN 104 Cb 1.04 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.82 2hee h GLN 104 CO -0.09 0.19 0.00 0.41 -0.67 0.00 0.00 178.83 178.67 2hee n GLY 105 N -0.37 2.46 0.32 3.46 0.00 -0.79 -2.15 105.19 108.13 2hee n GLY 105 Ca -0.01 -0.48 0.20 0.00 0.00 0.00 0.00 46.02 45.73 2hee n GLY 105 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 2hee h ILE 106 N 0.00 0.12 0.00 -0.61 6.09 -1.91 -2.11 117.51 119.09 2hee h ILE 106 Ca 0.00 -0.13 0.00 0.00 -1.37 0.00 0.00 64.86 63.36 2hee h ILE 106 Cb 0.00 1.12 0.00 0.00 0.47 0.00 0.00 36.82 38.41 2hee h ILE 106 CO 0.00 0.01 0.00 0.54 -3.07 0.00 0.00 178.15 175.63 2hee n ARG 107 N -3.23 0.03 0.18 2.19 1.74 -0.91 -3.00 116.66 113.66 2hee n ARG 107 Ca -0.02 0.28 0.13 0.00 -0.77 0.00 0.00 57.85 57.46 2hee n ARG 107 Cb 0.13 -1.50 0.69 0.00 -1.02 0.00 0.00 32.46 30.76 2hee n ARG 107 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2hee h ALA 108 N 2.43 2.10 -2.51 7.54 0.00 -1.53 -3.37 119.26 123.92 2hee h ALA 108 Ca 0.00 -0.01 -0.66 0.00 0.00 0.00 0.00 54.91 54.24 2hee h ALA 108 Cb 0.19 0.01 -0.16 0.00 0.00 0.00 0.00 17.79 17.82 2hee h ALA 108 CO 0.00 -0.22 -0.18 -1.58 0.00 0.00 0.00 179.25 177.27 2hee s TRP 109 N -4.98 3.19 0.45 0.00 0.51 -1.16 -4.96 118.94 111.99 2hee s TRP 109 Ca -0.05 0.01 0.11 0.00 -2.12 0.00 0.00 56.10 54.05 2hee s TRP 109 Cb 0.17 -2.80 1.00 0.00 -0.81 0.00 0.00 33.47 31.03 2hee s TRP 109 CO 0.67 -0.51 2.06 0.28 -0.51 0.00 0.00 176.95 178.94 2hee h VAL 110 N 5.59 1.08 -0.60 4.03 2.07 -1.90 -1.15 116.25 125.38 2hee h VAL 110 Ca -0.29 -0.24 0.02 0.00 0.82 0.00 0.00 66.70 67.01 2hee h VAL 110 Cb 1.13 0.85 -0.03 0.00 -1.52 0.00 0.00 31.29 31.72 2hee h VAL 110 CO 0.74 0.09 0.40 0.00 0.02 0.00 0.00 177.57 178.82 2hee h ALA 111 N 1.82 1.64 -0.69 1.67 0.00 -1.93 -1.85 119.26 119.92 2hee h ALA 111 Ca 0.07 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.95 2hee h ALA 111 Cb 0.05 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 17.60 2hee h ALA 111 CO -0.01 0.31 0.43 2.35 0.00 0.00 0.00 179.25 182.33 2hee h TRP 112 N 0.74 0.90 -0.52 0.00 7.01 -1.52 0.67 115.95 123.23 2hee h TRP 112 Ca 0.23 0.01 -0.01 0.00 2.11 0.00 0.00 58.89 61.23 2hee h TRP 112 Cb 0.01 -0.30 -0.02 0.00 -2.10 0.00 0.00 29.16 26.75 2hee h TRP 112 CO -0.00 0.59 0.29 0.00 -2.79 0.00 0.00 178.44 176.53 2hee h ARG 113 N 0.94 0.72 -0.13 2.65 3.08 -1.39 0.26 114.38 120.51 2hee h ARG 113 Ca 0.25 -0.08 -0.04 0.00 0.07 0.00 0.00 59.98 60.18 2hee h ARG 113 Cb -0.06 -0.14 -0.00 0.00 0.08 0.00 0.00 29.97 29.84 2hee h ARG 113 CO -0.05 0.55 -0.07 -0.91 -1.07 0.00 0.00 179.97 178.42 2hee h ASN 114 N 0.69 0.28 0.00 7.04 2.35 -0.95 -3.36 115.58 121.63 2hee h ASN 114 Ca 0.18 -0.43 0.00 0.00 -0.55 0.00 0.00 56.30 55.50 2hee h ASN 114 Cb 0.04 -0.08 0.00 0.00 0.05 0.00 0.00 38.32 38.33 2hee h ASN 114 CO -0.03 0.65 -0.94 0.54 -1.65 0.00 0.00 177.43 176.00 2hee n ARG 115 N -4.67 1.60 0.00 0.81 5.12 0.19 -4.85 116.66 114.86 2hee n ARG 115 Ca -0.06 -0.03 0.00 0.00 -1.93 0.00 0.00 57.85 55.83 2hee n ARG 115 Cb 0.30 -1.26 0.00 0.00 -1.16 0.00 0.00 32.46 30.34 2hee n ARG 115 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 2hee n GLN 117 N -2.71 1.49 -1.79 0.00 7.27 -0.29 -2.22 117.38 119.14 2hee n GLN 117 Ca 0.00 0.53 -0.21 0.00 0.07 0.00 0.00 57.00 57.40 2hee n GLN 117 Cb 0.50 -2.14 -0.07 0.00 2.41 0.00 0.00 30.24 30.93 2hee n GLN 117 CO 0.00 0.00 0.00 0.09 0.07 0.00 0.00 177.06 177.22 2hee n ASN 118 N 2.38 -5.58 -4.69 1.69 5.03 -1.26 -4.97 115.26 107.85 2hee n ASN 118 Ca 0.15 0.39 -0.27 0.00 0.87 0.00 0.00 54.58 55.72 2hee n ASN 118 Cb 0.25 -4.82 -0.09 0.00 -1.02 0.00 0.00 39.78 34.10 2hee n ASN 118 CO 0.00 0.00 0.00 -0.13 -1.83 0.00 0.00 177.26 175.30 2hee s ARG 119 N -4.05 2.10 -0.55 3.52 0.52 -0.94 -5.08 118.95 114.47 2hee s ARG 119 Ca 0.00 -2.00 -0.24 0.00 -0.52 0.00 0.00 55.73 52.96 2hee s ARG 119 Cb 0.00 -1.80 0.04 0.00 0.52 0.00 0.00 34.95 33.71 2hee s ARG 119 CO 0.00 -0.11 0.94 0.34 0.02 0.00 0.00 175.30 176.49 2hee s ASP 120 N -3.82 6.34 0.00 0.23 -1.08 -1.26 -4.89 116.67 112.19 2hee s ASP 120 Ca 0.36 -0.34 0.20 0.00 -0.52 0.00 0.00 52.55 52.25 2hee s ASP 120 Cb 0.06 -2.44 0.45 0.00 -1.46 0.00 0.00 42.92 39.54 2hee s ASP 120 CO 0.19 -1.22 1.38 1.33 0.52 0.00 0.00 175.17 177.37 2hee n VAL 121 N 6.20 0.72 -0.21 1.11 0.24 -1.26 -4.58 118.33 120.56 2hee n VAL 121 Ca 0.02 -0.86 0.13 0.00 -2.04 0.00 0.00 64.34 61.59 2hee n VAL 121 Cb 0.47 0.76 0.43 0.00 -1.47 0.00 0.00 33.84 34.03 2hee n VAL 121 CO 0.00 0.00 0.00 0.03 -2.14 0.00 0.00 176.83 174.72 2hee h ARG 122 N 3.80 0.55 -0.78 7.34 3.08 -1.93 -2.00 114.38 124.45 2hee h ARG 122 Ca 0.00 -0.03 0.22 0.00 0.07 0.00 0.00 59.98 60.24 2hee h ARG 122 Cb 0.91 -0.12 -0.03 0.00 0.08 0.00 0.00 29.97 30.80 2hee h ARG 122 CO 0.00 0.37 0.56 -0.56 -1.07 0.00 0.00 179.97 179.26 2hee h GLN 123 N 0.57 0.04 0.00 0.04 3.07 -1.97 -1.98 115.11 114.88 2hee h GLN 123 Ca 0.39 -0.00 -0.04 0.00 0.09 0.00 0.00 58.65 59.09 2hee h GLN 123 Cb 0.72 -0.01 -0.01 0.00 0.08 0.00 0.00 27.48 28.27 2hee h GLN 123 CO -0.15 0.03 -0.21 1.88 0.09 0.00 0.00 178.83 180.47 2hee h TYR 124 N 0.04 0.00 -0.03 0.06 0.05 -1.69 -3.23 116.97 112.17 2hee h TYR 124 Ca 0.38 0.00 0.00 0.00 0.05 0.00 0.00 58.73 59.16 2hee h TYR 124 Cb 1.44 0.00 0.00 0.00 1.01 0.00 0.00 36.73 39.18 2hee h TYR 124 CO -0.00 0.21 0.00 1.33 -1.05 0.00 0.00 178.16 178.65 2hee n VAL 125 N -3.83 0.45 -1.91 -2.88 0.24 -0.80 -4.82 118.33 104.79 2hee n VAL 125 Ca -0.02 -0.73 -0.42 0.00 -2.04 0.00 0.00 64.34 61.14 2hee n VAL 125 Cb 0.31 0.79 -0.03 0.00 -1.47 0.00 0.00 33.84 33.44 2hee n VAL 125 CO 0.00 0.00 0.00 -1.10 -2.14 0.00 0.00 176.83 173.59 2hee s GLN 126 N -0.53 4.21 0.00 7.34 -1.52 -0.88 -2.45 119.66 125.82 2hee s GLN 126 Ca 0.03 2.40 0.00 0.00 -1.95 0.00 0.00 55.36 55.84 2hee s GLN 126 Cb 0.02 -3.12 0.00 0.00 -0.22 0.00 0.00 33.01 29.69 2hee s GLN 126 CO 0.02 -0.58 0.00 0.41 -0.25 0.00 0.00 175.29 174.89 2hee n GLY 127 N 3.19 0.58 0.06 3.09 0.00 -1.26 -4.89 105.19 105.96 2hee n GLY 127 Ca 0.12 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.27 2hee n GLY 127 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2hee n GLY 129 N 1.41 0.11 0.16 0.00 0.00 -1.26 -4.84 105.19 100.77 2hee n GLY 129 Ca 0.09 -0.55 0.02 0.00 0.00 0.00 0.00 46.02 45.58 2hee n GLY 129 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65