#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1tdy s VAL 2 N 0.00 4.32 0.45 3.15 1.01 -1.26 -1.71 120.40 126.36 1tdy s VAL 2 Ca 0.00 -0.41 -0.22 0.00 0.00 0.00 0.00 61.98 61.35 1tdy s VAL 2 Cb 0.00 -3.15 -0.08 0.00 0.00 0.00 0.00 36.38 33.15 1tdy s VAL 2 CO 0.00 0.16 1.06 -0.36 0.00 0.00 0.00 175.10 175.97 1tdy s PHE 3 N 1.58 3.07 0.48 5.22 0.40 -0.75 -5.03 117.98 122.95 1tdy s PHE 3 Ca 0.05 1.60 -0.11 0.00 -0.60 0.00 0.00 56.93 57.86 1tdy s PHE 3 Cb -0.16 -3.14 -0.06 0.00 0.51 0.00 0.00 43.02 40.17 1tdy s PHE 3 CO 0.04 -0.87 0.87 -1.21 0.70 0.00 0.00 175.22 174.75 1tdy s GLU 4 N -2.89 3.76 0.11 0.44 2.02 -1.26 -4.89 118.70 115.99 1tdy s GLU 4 Ca 0.63 0.60 -0.29 0.00 0.02 0.00 0.00 54.97 55.93 1tdy s GLU 4 Cb -0.20 -2.27 -0.10 0.00 0.10 0.00 0.00 34.13 31.66 1tdy s GLU 4 CO 0.25 -0.21 1.61 -0.09 0.02 0.00 0.00 175.26 176.84 1tdy h ARG 5 N 0.76 -0.58 0.00 1.61 2.43 -1.97 -1.15 114.38 115.47 1tdy h ARG 5 Ca -0.47 0.04 -0.09 0.00 -0.81 0.00 0.00 59.98 58.65 1tdy h ARG 5 Cb 1.19 0.13 -0.01 0.00 -0.42 0.00 0.00 29.97 30.86 1tdy h ARG 5 CO 0.63 -0.39 -0.44 0.00 -1.51 0.00 0.00 179.97 178.26 1tdy h GLU 7 N 0.00 0.51 -0.42 0.00 4.81 -1.89 -1.27 114.58 116.32 1tdy h GLU 7 Ca -0.00 -0.03 -0.08 0.00 -0.13 0.00 0.00 59.36 59.11 1tdy h GLU 7 Cb 1.10 -0.12 -0.01 0.00 0.63 0.00 0.00 28.75 30.35 1tdy h GLU 7 CO 0.06 0.35 -0.06 1.25 -0.73 0.00 0.00 179.01 179.87 1tdy h LEU 8 N 0.53 0.79 -0.32 1.64 5.85 -0.73 -2.04 115.31 121.03 1tdy h LEU 8 Ca 0.14 -0.34 0.03 0.00 0.84 0.00 0.00 57.88 58.54 1tdy h LEU 8 Cb -0.06 -0.22 -0.03 0.00 0.37 0.00 0.00 40.66 40.73 1tdy h LEU 8 CO -0.03 0.95 0.15 0.00 -0.34 0.00 0.00 178.44 179.17 1tdy h ALA 9 N 0.87 0.38 -0.48 1.25 0.00 -0.79 0.03 119.26 120.53 1tdy h ALA 9 Ca 0.11 0.02 -0.08 0.00 0.00 0.00 0.00 54.91 54.96 1tdy h ALA 9 Cb 0.58 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.32 1tdy h ALA 9 CO 0.03 -0.24 -0.02 0.00 0.00 0.00 0.00 179.25 179.02 1tdy h ARG 10 N 0.31 0.81 -0.47 0.00 3.08 -1.26 -1.63 114.38 115.21 1tdy h ARG 10 Ca 0.14 -0.23 -0.04 0.00 0.07 0.00 0.00 59.98 59.92 1tdy h ARG 10 Cb 0.07 -0.09 -0.02 0.00 0.08 0.00 0.00 29.97 30.01 1tdy h ARG 10 CO -0.11 0.83 0.14 1.15 -1.07 0.00 0.00 179.97 180.91 1tdy h THR 11 N 0.75 1.23 -0.25 2.04 2.02 -0.67 -1.69 112.91 116.33 1tdy h THR 11 Ca 0.14 -0.77 -0.08 0.00 0.77 0.00 0.00 66.41 66.47 1tdy h THR 11 Cb 0.49 0.84 -0.01 0.00 -1.74 0.00 0.00 68.15 67.72 1tdy h THR 11 CO 0.02 0.28 -0.19 -0.07 0.37 0.00 0.00 175.52 175.93 1tdy h LEU 12 N 0.63 0.45 -0.06 2.58 3.38 -0.83 -1.92 115.31 119.54 1tdy h LEU 12 Ca 0.15 -0.13 -0.00 0.00 0.09 0.00 0.00 57.88 57.99 1tdy h LEU 12 Cb 0.28 -0.12 -0.00 0.00 0.09 0.00 0.00 40.66 40.91 1tdy h LEU 12 CO -0.00 0.66 0.03 0.50 0.09 0.00 0.00 178.44 179.71 1tdy h LYS 13 N 0.41 0.09 -0.36 1.13 3.64 -1.09 -1.77 116.57 118.62 1tdy h LYS 13 Ca 0.07 -0.01 0.01 0.00 -1.27 0.00 0.00 60.65 59.45 1tdy h LYS 13 Cb 0.57 -0.02 -0.02 0.00 -0.41 0.00 0.00 32.23 32.36 1tdy h LYS 13 CO 0.04 0.19 0.24 -0.09 -2.27 0.00 0.00 179.45 177.56 1tdy h ARG 14 N -0.04 0.44 -0.24 1.90 2.43 -1.03 -1.94 114.38 115.91 1tdy h ARG 14 Ca 0.02 -0.03 0.00 0.00 -0.81 0.00 0.00 59.98 59.16 1tdy h ARG 14 Cb 0.13 -0.10 0.00 0.00 -0.42 0.00 0.00 29.97 29.58 1tdy h ARG 14 CO -0.00 0.29 0.00 1.28 -1.51 0.00 0.00 179.97 180.03 1tdy n LEU 15 N -4.48 1.43 0.00 3.80 4.77 -0.75 -4.92 117.00 116.85 1tdy n LEU 15 Ca 0.03 -0.69 0.00 0.00 -0.03 0.00 0.00 56.01 55.32 1tdy n LEU 15 Cb 0.09 -0.16 0.00 0.00 -2.33 0.00 0.00 43.42 41.02 1tdy n LEU 15 CO 0.35 0.34 0.00 0.61 -1.33 0.00 0.00 177.39 177.36 1tdy n GLY 16 N 0.97 0.43 0.14 -0.72 0.00 -0.73 -4.97 105.19 100.31 1tdy n GLY 16 Ca 0.11 -0.95 0.12 0.00 0.00 0.00 0.00 46.02 45.30 1tdy n GLY 16 CO 0.00 0.00 0.00 -0.33 0.00 0.00 0.00 173.32 172.99 1tdy h MET 17 N 0.00 0.00 -6.47 1.61 2.86 -1.51 -3.40 114.93 108.02 1tdy h MET 17 Ca 0.00 0.00 -0.56 0.00 -2.06 0.00 0.00 59.70 57.08 1tdy h MET 17 Cb 0.41 0.00 -0.05 0.00 0.06 0.00 0.00 31.60 32.02 1tdy h MET 17 CO 0.00 0.00 1.10 0.34 1.06 0.00 0.00 176.91 179.41 1tdy s ASP 18 N -5.14 6.22 0.00 1.22 2.15 -1.26 -2.25 116.67 117.60 1tdy s ASP 18 Ca 0.07 0.73 0.00 0.00 0.43 0.00 0.00 52.55 53.78 1tdy s ASP 18 Cb 0.10 -2.54 0.00 0.00 -0.30 0.00 0.00 42.92 40.18 1tdy s ASP 18 CO 0.67 -1.55 0.00 0.61 -0.17 0.00 0.00 175.17 174.73 1tdy n GLY 19 N 5.17 0.68 3.68 2.66 0.00 0.77 -4.89 105.19 113.27 1tdy n GLY 19 Ca 0.16 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.76 1tdy n GLY 19 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1tdy s TYR 20 N -2.06 2.27 -1.39 1.61 5.04 -0.96 -1.28 117.35 120.58 1tdy s TYR 20 Ca 0.00 0.22 -0.12 0.00 -2.44 0.00 0.00 57.07 54.72 1tdy s TYR 20 Cb 0.00 -4.00 0.10 0.00 0.35 0.00 0.00 41.96 38.41 1tdy s TYR 20 CO 0.00 -4.09 0.59 0.54 -1.34 0.00 0.00 175.55 171.26 1tdy n ARG 21 N 5.90 -3.36 -1.03 4.97 5.12 -1.26 -1.55 116.66 125.44 1tdy n ARG 21 Ca 0.16 0.43 -0.01 0.00 -1.93 0.00 0.00 57.85 56.50 1tdy n ARG 21 Cb 0.41 -5.14 -0.00 0.00 -1.16 0.00 0.00 32.46 26.56 1tdy n ARG 21 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1tdy n GLY 22 N -1.24 0.49 3.51 -0.13 0.00 -0.40 -5.02 105.19 102.39 1tdy n GLY 22 Ca 0.02 -0.29 -0.38 0.00 0.00 0.00 0.00 46.02 45.37 1tdy n GLY 22 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1tdy s ILE 23 N -1.93 4.86 0.77 -0.61 1.01 -0.60 -4.89 121.20 119.81 1tdy s ILE 23 Ca 0.00 -0.09 -0.12 0.00 0.00 0.00 0.00 60.65 60.44 1tdy s ILE 23 Cb 0.00 -3.36 0.06 0.00 0.01 0.00 0.00 42.46 39.17 1tdy s ILE 23 CO 0.00 0.21 1.12 -0.94 0.00 0.00 0.00 174.94 175.34 1tdy s SER 24 N 1.68 4.28 0.30 3.58 1.04 -1.26 -0.16 113.70 123.16 1tdy s SER 24 Ca 0.06 2.01 0.01 0.00 0.48 0.00 0.00 55.95 58.51 1tdy s SER 24 Cb -0.16 -2.55 0.54 0.00 0.10 0.00 0.00 66.02 63.95 1tdy s SER 24 CO 0.08 -2.19 1.89 -0.07 0.98 0.00 0.00 173.24 173.93 1tdy h LEU 25 N -0.89 0.91 -1.37 2.42 3.38 -1.90 -2.16 115.31 115.70 1tdy h LEU 25 Ca -0.45 0.02 0.01 0.00 0.09 0.00 0.00 57.88 57.55 1tdy h LEU 25 Cb 1.25 -0.18 -0.03 0.00 0.09 0.00 0.00 40.66 41.79 1tdy h LEU 25 CO 0.50 0.56 0.44 0.00 0.09 0.00 0.00 178.44 180.03 1tdy h ALA 26 N 1.51 1.56 -0.48 1.53 0.00 -1.92 0.16 119.26 121.62 1tdy h ALA 26 Ca 0.42 -0.04 -0.13 0.00 0.00 0.00 0.00 54.91 55.16 1tdy h ALA 26 Cb 0.27 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.80 1tdy h ALA 26 CO -0.17 0.40 -0.20 -0.91 0.00 0.00 0.00 179.25 178.36 1tdy h ASN 27 N 0.86 1.01 -0.04 0.00 2.35 -1.71 -0.24 115.58 117.82 1tdy h ASN 27 Ca 0.25 -0.39 -0.08 0.00 -0.55 0.00 0.00 56.30 55.53 1tdy h ASN 27 Cb -0.06 -0.28 -0.01 0.00 0.05 0.00 0.00 38.32 38.02 1tdy h ASN 27 CO -0.06 1.18 -0.19 -0.50 -1.65 0.00 0.00 177.43 176.21 1tdy h TRP 28 N 0.84 0.46 -0.19 1.19 4.06 -1.04 -2.20 115.95 119.08 1tdy h TRP 28 Ca 0.11 -0.08 -0.11 0.00 2.06 0.00 0.00 58.89 60.87 1tdy h TRP 28 Cb 0.78 -0.12 -0.00 0.00 -1.00 0.00 0.00 29.16 28.82 1tdy h TRP 28 CO 0.05 0.59 -0.30 0.52 -3.56 0.00 0.00 178.44 175.75 1tdy h MET 29 N 0.38 0.54 -0.72 0.49 2.86 -0.79 -1.25 114.93 116.44 1tdy h MET 29 Ca 0.06 -0.33 0.06 0.00 -2.06 0.00 0.00 59.70 57.44 1tdy h MET 29 Cb 0.56 0.03 -0.06 0.00 0.06 0.00 0.00 31.60 32.20 1tdy h MET 29 CO 0.04 0.93 0.42 0.00 1.06 0.00 0.00 176.91 179.35 1tdy h LEU 31 N 0.76 -0.46 -1.48 0.00 5.85 -1.19 -2.32 115.31 116.48 1tdy h LEU 31 Ca 0.32 -0.07 0.02 0.00 0.84 0.00 0.00 57.88 58.99 1tdy h LEU 31 Cb 0.18 0.12 -0.03 0.00 0.37 0.00 0.00 40.66 41.30 1tdy h LEU 31 CO -0.18 -0.21 0.37 0.00 -0.34 0.00 0.00 178.44 178.08 1tdy h ALA 32 N -0.18 1.65 0.10 1.25 0.00 -1.08 -0.47 119.26 120.53 1tdy h ALA 32 Ca -0.06 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.82 1tdy h ALA 32 Cb 0.50 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 18.09 1tdy h ALA 32 CO 0.09 0.31 -0.05 -0.22 0.00 0.00 0.00 179.25 179.38 1tdy h LYS 33 N 0.71 -0.14 0.00 0.00 3.64 -1.03 -1.35 116.57 118.40 1tdy h LYS 33 Ca 0.21 0.01 -0.01 0.00 -1.27 0.00 0.00 60.65 59.59 1tdy h LYS 33 Cb -0.02 0.03 -0.00 0.00 -0.41 0.00 0.00 32.23 31.83 1tdy h LYS 33 CO -0.05 0.01 -0.17 -1.49 -2.27 0.00 0.00 179.45 175.48 1tdy h TRP 34 N -0.26 0.00 0.06 1.91 4.06 -1.21 0.85 115.95 121.37 1tdy h TRP 34 Ca -0.01 0.00 -0.13 0.00 2.06 0.00 0.00 58.89 60.80 1tdy h TRP 34 Cb 0.21 0.00 0.01 0.00 -1.00 0.00 0.00 29.16 28.38 1tdy h TRP 34 CO -0.03 0.07 -0.56 0.93 -3.56 0.00 0.00 178.44 175.28 1tdy h GLU 35 N 0.00 0.27 0.00 0.49 4.39 -1.00 -3.42 114.58 115.31 1tdy h GLU 35 Ca -0.00 -0.38 0.00 0.00 0.34 0.00 0.00 59.36 59.32 1tdy h GLU 35 Cb 1.05 0.13 0.00 0.00 -0.10 0.00 0.00 28.75 29.83 1tdy h GLU 35 CO 0.01 1.12 0.00 -1.13 -1.16 0.00 0.00 179.01 177.85 1tdy n SER 36 N -4.27 0.11 -2.21 1.42 3.41 -0.54 -4.83 113.62 106.70 1tdy n SER 36 Ca -0.12 -0.45 -0.17 0.00 -0.26 0.00 0.00 58.87 57.88 1tdy n SER 36 Cb 0.69 0.21 0.02 0.00 -0.26 0.00 0.00 64.21 64.87 1tdy n SER 36 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1tdy n GLY 37 N 0.21 -0.24 2.65 5.00 0.00 0.29 -3.08 105.19 110.01 1tdy n GLY 37 Ca 0.00 -0.12 -0.18 0.00 0.00 0.00 0.00 46.02 45.72 1tdy n GLY 37 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1tdy n TYR 38 N -4.17 -1.38 -3.88 1.61 4.01 -1.16 -4.79 117.16 107.40 1tdy n TYR 38 Ca -0.11 0.32 -0.35 0.00 -0.16 0.00 0.00 57.90 57.59 1tdy n TYR 38 Cb 0.60 -3.69 -0.14 0.00 -0.31 0.00 0.00 39.34 35.80 1tdy n TYR 38 CO 0.00 0.00 0.00 1.21 -0.46 0.00 0.00 176.86 177.61 1tdy s ASN 39 N -2.64 4.49 0.54 7.72 2.47 -1.18 -1.81 114.94 124.52 1tdy s ASN 39 Ca 0.18 -0.50 0.33 0.00 0.42 0.00 0.00 52.86 53.29 1tdy s ASN 39 Cb -0.08 -1.76 1.34 0.00 -1.45 0.00 0.00 41.25 39.30 1tdy s ASN 39 CO 0.23 -0.06 1.98 0.71 -3.72 0.00 0.00 177.10 176.23 1tdy h THR 40 N 5.78 0.07 -0.01 -5.21 1.35 -1.66 -3.01 112.91 110.23 1tdy h THR 40 Ca -0.39 -0.57 0.00 0.00 -0.55 0.00 0.00 66.41 64.91 1tdy h THR 40 Cb 1.15 1.53 0.00 0.00 -1.73 0.00 0.00 68.15 69.09 1tdy h THR 40 CO 0.60 0.03 -0.18 0.54 -0.25 0.00 0.00 175.52 176.25 1tdy n ARG 41 N -3.14 0.80 -1.69 4.72 1.74 -1.26 -4.08 116.66 113.76 1tdy n ARG 41 Ca 0.00 -0.40 -0.44 0.00 -0.77 0.00 0.00 57.85 56.25 1tdy n ARG 41 Cb 0.31 -1.49 -0.04 0.00 -1.02 0.00 0.00 32.46 30.23 1tdy n ARG 41 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1tdy n ALA 42 N -0.75 2.13 -2.60 7.54 0.00 -1.14 -4.80 120.51 120.89 1tdy n ALA 42 Ca 0.13 0.40 -0.16 0.00 0.00 0.00 0.00 53.44 53.81 1tdy n ALA 42 Cb 0.32 -2.47 -0.11 0.00 0.00 0.00 0.00 19.45 17.18 1tdy n ALA 42 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 1tdy s THR 43 N 1.48 0.99 -0.13 0.00 -4.23 -1.26 -0.86 115.64 111.62 1tdy s THR 43 Ca 0.78 -1.48 -0.04 0.00 -1.18 0.00 0.00 61.69 59.77 1tdy s THR 43 Cb -0.57 -1.20 0.06 0.00 1.34 0.00 0.00 72.50 72.13 1tdy s THR 43 CO 0.36 -0.42 0.15 0.21 -0.54 0.00 0.00 174.62 174.38 1tdy s ASN 44 N -2.13 1.35 0.17 3.99 3.84 -0.37 -4.96 114.94 116.83 1tdy s ASN 44 Ca 0.02 -0.08 -0.24 0.00 0.21 0.00 0.00 52.86 52.77 1tdy s ASN 44 Cb -0.06 0.14 -0.08 0.00 -0.55 0.00 0.00 41.25 40.70 1tdy s ASN 44 CO 0.01 -0.29 0.76 -0.47 -2.79 0.00 0.00 177.10 174.31 1tdy s TYR 45 N 2.25 3.86 -0.47 0.43 5.04 -1.26 -0.43 117.35 126.77 1tdy s TYR 45 Ca 0.04 1.57 0.00 0.00 -2.44 0.00 0.00 57.07 56.25 1tdy s TYR 45 Cb -0.14 -2.73 0.12 0.00 0.35 0.00 0.00 41.96 39.57 1tdy s TYR 45 CO -0.08 0.49 0.24 -0.80 -1.34 0.00 0.00 175.55 174.06 1tdy s ASN 46 N -1.23 4.95 0.55 4.32 0.01 0.40 -4.98 114.94 118.96 1tdy s ASN 46 Ca 0.37 -2.47 0.24 0.00 -0.71 0.00 0.00 52.86 50.29 1tdy s ASN 46 Cb -0.22 -1.75 1.46 0.00 0.41 0.00 0.00 41.25 41.15 1tdy s ASN 46 CO 0.25 -0.40 2.09 0.00 -1.51 0.00 0.00 177.10 177.53 1tdy h ALA 47 N 7.38 2.09 -0.19 0.60 0.00 -1.96 -0.48 119.26 126.70 1tdy h ALA 47 Ca -0.07 -0.01 -0.17 0.00 0.00 0.00 0.00 54.91 54.66 1tdy h ALA 47 Cb 0.99 0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.79 1tdy h ALA 47 CO 0.66 -0.31 -0.59 0.78 0.00 0.00 0.00 179.25 179.79 1tdy h GLY 48 N 0.00 0.68 -0.13 0.00 0.00 -1.95 -3.30 103.07 98.37 1tdy h GLY 48 Ca 0.11 -0.83 0.00 0.00 0.00 0.00 0.00 47.33 46.62 1tdy h GLY 48 CO -0.00 0.74 0.00 2.09 0.00 0.00 0.00 176.54 179.37 1tdy n ASP 49 N -3.95 1.73 -1.83 0.19 5.75 -1.12 -5.02 116.55 112.30 1tdy n ASP 49 Ca -0.04 -1.64 -0.16 0.00 -0.01 0.00 0.00 54.79 52.94 1tdy n ASP 49 Cb 0.63 -0.02 -0.01 0.00 -1.03 0.00 0.00 41.12 40.70 1tdy n ASP 49 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 1tdy n ARG 50 N -0.21 -1.29 -4.08 0.11 1.74 -0.20 -4.76 116.66 107.96 1tdy n ARG 50 Ca 0.01 0.79 -0.23 0.00 -0.77 0.00 0.00 57.85 57.65 1tdy n ARG 50 Cb 0.18 -5.19 -0.06 0.00 -1.02 0.00 0.00 32.46 26.37 1tdy n ARG 50 CO 0.00 0.00 0.00 -1.54 -1.52 0.00 0.00 177.63 174.57 1tdy s SER 51 N -2.28 4.60 0.04 0.55 1.04 -1.14 -4.51 113.70 111.98 1tdy s SER 51 Ca 0.00 -0.87 0.04 0.00 0.48 0.00 0.00 55.95 55.60 1tdy s SER 51 Cb 0.00 -0.63 -0.02 0.00 0.10 0.00 0.00 66.02 65.47 1tdy s SER 51 CO 0.00 -0.39 -0.13 -0.89 0.98 0.00 0.00 173.24 172.81 1tdy s THR 52 N -2.49 1.03 -0.17 2.02 2.01 -1.26 -0.46 115.64 116.32 1tdy s THR 52 Ca 0.39 -0.97 -0.08 0.00 0.31 0.00 0.00 61.69 61.34 1tdy s THR 52 Cb -0.01 -0.94 -0.04 0.00 0.01 0.00 0.00 72.50 71.52 1tdy s THR 52 CO 0.23 -0.02 0.09 -1.81 -0.69 0.00 0.00 174.62 172.42 1tdy s ASP 53 N -1.13 5.92 -0.09 3.53 1.01 0.43 -1.04 116.67 125.30 1tdy s ASP 53 Ca 0.01 0.19 0.04 0.00 0.71 0.00 0.00 52.55 53.50 1tdy s ASP 53 Cb -0.08 -1.99 -0.01 0.00 1.01 0.00 0.00 42.92 41.85 1tdy s ASP 53 CO 0.01 0.22 -0.21 -0.31 0.21 0.00 0.00 175.17 175.10 1tdy s TYR 54 N 0.08 2.59 0.00 4.23 2.02 0.01 -1.24 117.35 125.04 1tdy s TYR 54 Ca 0.07 -0.75 0.00 0.00 -0.37 0.00 0.00 57.07 56.02 1tdy s TYR 54 Cb -0.12 -1.69 0.00 0.00 -0.40 0.00 0.00 41.96 39.75 1tdy s TYR 54 CO 0.00 -0.24 0.00 0.41 -1.57 0.00 0.00 175.55 174.15 1tdy n GLY 55 N 3.20 -1.72 0.24 0.71 0.00 -0.04 -1.52 105.19 106.05 1tdy n GLY 55 Ca -0.18 -1.35 0.06 0.00 0.00 0.00 0.00 46.02 44.55 1tdy n GLY 55 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 1tdy h ILE 56 N 0.00 1.10 -0.31 -0.61 2.10 -1.71 -1.51 117.51 116.57 1tdy h ILE 56 Ca 0.00 -0.44 0.00 0.00 1.08 0.00 0.00 64.86 65.50 1tdy h ILE 56 Cb 0.00 1.19 0.00 0.00 -1.09 0.00 0.00 36.82 36.92 1tdy h ILE 56 CO 0.00 0.13 0.00 0.49 -1.08 0.00 0.00 178.15 177.69 1tdy n PHE 57 N -4.39 0.39 -3.82 2.19 3.72 -1.26 -4.03 117.46 110.26 1tdy n PHE 57 Ca -0.02 -0.20 -0.35 0.00 -0.05 0.00 0.00 57.45 56.82 1tdy n PHE 57 Cb 0.19 -0.00 0.03 0.00 -0.94 0.00 0.00 39.48 38.76 1tdy n PHE 57 CO 0.00 0.00 0.00 1.04 -0.05 0.00 0.00 176.76 177.75 1tdy n GLN 58 N 1.41 -1.10 -2.83 -1.08 1.13 -0.57 -4.93 117.38 109.41 1tdy n GLN 58 Ca 0.18 0.34 -0.41 0.00 -1.94 0.00 0.00 57.00 55.17 1tdy n GLN 58 Cb 0.59 -3.70 -0.04 0.00 0.11 0.00 0.00 30.24 27.19 1tdy n GLN 58 CO 0.00 0.00 0.00 0.42 -1.44 0.00 0.00 177.06 176.04 1tdy s ILE 59 N -3.53 4.75 0.17 5.09 1.01 -0.57 -4.49 121.20 123.63 1tdy s ILE 59 Ca 0.44 1.87 -0.29 0.00 0.00 0.00 0.00 60.65 62.67 1tdy s ILE 59 Cb -0.18 -4.23 -0.08 0.00 0.01 0.00 0.00 42.46 37.98 1tdy s ILE 59 CO 0.90 0.27 0.90 0.21 0.00 0.00 0.00 174.94 177.22 1tdy s ASN 60 N 0.41 7.53 0.00 3.58 3.84 -1.26 -0.81 114.94 128.22 1tdy s ASN 60 Ca 0.45 1.81 0.25 0.00 0.21 0.00 0.00 52.86 55.59 1tdy s ASN 60 Cb -0.21 -2.57 1.13 0.00 -0.55 0.00 0.00 41.25 39.05 1tdy s ASN 60 CO 0.26 0.09 1.82 -1.54 -2.79 0.00 0.00 177.10 174.95 1tdy n SER 61 N 1.98 0.00 -0.00 -4.21 3.41 -0.21 -1.48 113.62 113.11 1tdy n SER 61 Ca -0.01 0.35 -0.17 0.00 -0.26 0.00 0.00 58.87 58.78 1tdy n SER 61 Cb 0.48 -0.45 -0.11 0.00 -0.26 0.00 0.00 64.21 63.87 1tdy n SER 61 CO 0.00 0.00 0.00 -0.09 -0.16 0.00 0.00 175.04 174.79 1tdy h ARG 62 N 0.00 0.33 0.00 4.33 2.43 -1.84 -3.41 114.38 116.22 1tdy h ARG 62 Ca 0.00 -0.37 -0.38 0.00 -0.81 0.00 0.00 59.98 58.43 1tdy h ARG 62 Cb 0.39 0.11 -0.07 0.00 -0.42 0.00 0.00 29.97 29.97 1tdy h ARG 62 CO 0.00 1.06 -2.42 0.91 -1.51 0.00 0.00 179.97 178.01 1tdy n TRP 63 N -4.30 0.00 -0.05 2.20 7.02 -1.19 -0.35 117.44 120.77 1tdy n TRP 63 Ca -0.10 0.00 -0.07 0.00 -1.02 0.00 0.00 57.50 56.31 1tdy n TRP 63 Cb 0.63 -0.99 -0.04 0.00 -2.42 0.00 0.00 31.31 28.49 1tdy n TRP 63 CO 0.00 0.00 0.00 0.91 -2.02 0.00 0.00 177.69 176.58 1tdy n TRP 64 N -2.95 0.00 -4.38 -5.99 7.02 -0.55 -1.41 117.44 109.18 1tdy n TRP 64 Ca -0.38 0.00 -0.22 0.00 -1.02 0.00 0.00 57.50 55.88 1tdy n TRP 64 Cb 1.09 -0.35 -0.10 0.00 -2.42 0.00 0.00 31.31 29.52 1tdy n TRP 64 CO 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 177.69 175.67 1tdy s ASN 66 N -3.14 5.56 0.00 0.00 2.47 -0.16 -4.40 114.94 115.27 1tdy s ASN 66 Ca 0.23 -0.04 0.09 0.00 0.42 0.00 0.00 52.86 53.56 1tdy s ASN 66 Cb -0.04 -1.99 0.18 0.00 -1.45 0.00 0.00 41.25 37.95 1tdy s ASN 66 CO 0.09 0.04 1.04 -0.90 -3.72 0.00 0.00 177.10 173.65 1tdy n ASP 67 N 4.41 2.36 0.00 -4.21 5.68 -1.26 -1.25 116.55 122.28 1tdy n ASP 67 Ca -0.16 -1.73 0.00 0.00 -0.50 0.00 0.00 54.79 52.40 1tdy n ASP 67 Cb 0.52 -0.11 0.00 0.00 -1.14 0.00 0.00 41.12 40.39 1tdy n ASP 67 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1tdy n GLY 68 N 0.45 2.10 0.35 6.12 0.00 -1.26 -4.78 105.19 108.18 1tdy n GLY 68 Ca 0.08 0.00 0.03 0.00 0.00 0.00 0.00 46.02 46.13 1tdy n GLY 68 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 1tdy n LYS 69 N -1.86 2.15 -3.62 1.61 2.85 -1.26 -4.98 118.16 113.05 1tdy n LYS 69 Ca 0.00 -1.59 -0.37 0.00 -1.05 0.00 0.00 58.31 55.30 1tdy n LYS 69 Cb 0.00 -1.15 -0.09 0.00 -0.65 0.00 0.00 35.03 33.14 1tdy n LYS 69 CO 0.00 0.00 0.00 0.99 -0.05 0.00 0.00 177.40 178.34 1tdy s THR 70 N -0.88 5.34 0.38 0.58 2.01 -1.26 -4.97 115.64 116.82 1tdy s THR 70 Ca 0.12 0.26 -0.27 0.00 0.31 0.00 0.00 61.69 62.11 1tdy s THR 70 Cb 0.07 -3.53 -0.11 0.00 0.01 0.00 0.00 72.50 68.93 1tdy s THR 70 CO 0.09 0.33 1.27 -2.65 -0.69 0.00 0.00 174.62 172.98 1tdy n PRO 71 N 4.31 2.03 -1.24 4.92 -0.02 -1.26 -3.36 135.00 140.37 1tdy n PRO 71 Ca -0.14 0.71 -0.08 0.00 -2.02 0.00 0.00 63.50 61.97 1tdy n PRO 71 Cb 0.52 -2.34 -0.04 0.00 -0.02 0.00 0.00 33.50 31.62 1tdy n PRO 71 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1tdy n GLY 72 N 0.80 0.91 3.71 -1.23 0.00 -1.26 -4.91 105.19 103.21 1tdy n GLY 72 Ca 0.06 -0.17 -0.42 0.00 0.00 0.00 0.00 46.02 45.48 1tdy n GLY 72 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1tdy n ALA 73 N 1.15 2.68 -0.05 4.61 0.00 -1.21 -4.88 120.51 122.80 1tdy n ALA 73 Ca -0.08 0.38 -0.14 0.00 0.00 0.00 0.00 53.44 53.60 1tdy n ALA 73 Cb 0.43 -2.54 -0.14 0.00 0.00 0.00 0.00 19.45 17.20 1tdy n ALA 73 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1tdy n VAL 74 N 4.16 1.59 -3.80 0.00 0.31 0.52 -5.02 118.33 116.08 1tdy n VAL 74 Ca 0.17 -0.73 -0.25 0.00 -0.01 0.00 0.00 64.34 63.51 1tdy n VAL 74 Cb 0.35 -1.16 0.01 0.00 -0.91 0.00 0.00 33.84 32.13 1tdy n VAL 74 CO 0.00 0.00 0.00 -3.20 -1.32 0.00 0.00 176.83 172.31 1tdy n ASN 75 N -3.13 -1.81 0.26 4.52 5.15 -1.18 -4.91 115.26 114.15 1tdy n ASN 75 Ca -0.30 -0.95 0.09 0.00 -0.60 0.00 0.00 54.58 52.82 1tdy n ASN 75 Cb 1.06 -3.45 0.66 0.00 -0.53 0.00 0.00 39.78 37.52 1tdy n ASN 75 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1tdy h ALA 76 N 0.83 1.69 -0.00 5.20 0.00 -1.19 -1.26 119.26 124.54 1tdy h ALA 76 Ca -0.63 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.20 1tdy h ALA 76 Cb 1.37 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.14 1tdy h ALA 76 CO 0.57 0.10 -0.09 0.00 0.00 0.00 0.00 179.25 179.83 1tdy n HIS 78 N -1.49 -2.02 -4.02 0.00 -0.00 -0.47 -4.97 115.22 102.24 1tdy n HIS 78 Ca 0.07 0.82 -0.13 0.00 -0.00 0.00 0.00 57.72 58.48 1tdy n HIS 78 Cb 0.34 -4.40 -0.13 0.00 -0.00 0.00 0.00 29.99 25.79 1tdy n HIS 78 CO 0.00 0.00 0.00 -0.51 -0.00 0.00 0.00 176.34 175.83 1tdy s LEU 79 N -6.45 2.09 0.33 2.41 1.43 -1.26 -5.06 118.68 112.16 1tdy s LEU 79 Ca 0.10 -0.21 -0.28 0.00 -1.03 0.00 0.00 54.13 52.71 1tdy s LEU 79 Cb -0.02 -0.11 -0.10 0.00 0.03 0.00 0.00 46.19 45.99 1tdy s LEU 79 CO 0.79 -0.06 1.25 -0.55 0.23 0.00 0.00 176.35 178.02 1tdy s SER 80 N -0.55 6.81 0.57 2.29 0.15 -1.26 -0.99 113.70 120.72 1tdy s SER 80 Ca -0.04 2.57 0.32 0.00 0.70 0.00 0.00 55.95 59.50 1tdy s SER 80 Cb -0.04 -2.64 1.70 0.00 -1.71 0.00 0.00 66.02 63.32 1tdy s SER 80 CO -0.00 -0.49 2.16 0.00 1.20 0.00 0.00 173.24 176.10 1tdy h SER 82 N 0.00 0.00 0.30 0.00 4.64 -1.92 -1.27 113.55 115.30 1tdy h SER 82 Ca -0.00 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.31 1tdy h SER 82 Cb 0.23 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.31 1tdy h SER 82 CO 0.01 0.09 -0.04 0.00 -0.87 0.00 0.00 176.83 176.01 1tdy h ALA 83 N 1.91 1.19 -0.13 5.18 0.00 -1.72 -1.68 119.26 124.01 1tdy h ALA 83 Ca -0.00 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.87 1tdy h ALA 83 Cb 0.22 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.00 1tdy h ALA 83 CO 0.01 0.05 0.00 1.28 0.00 0.00 0.00 179.25 180.60 1tdy n LEU 84 N -3.41 1.38 -0.80 0.00 4.77 -0.48 -3.54 117.00 114.93 1tdy n LEU 84 Ca -0.02 -0.57 0.07 0.00 -0.03 0.00 0.00 56.01 55.46 1tdy n LEU 84 Cb 0.17 -0.08 0.20 0.00 -2.33 0.00 0.00 43.42 41.38 1tdy n LEU 84 CO 0.26 0.28 0.67 0.18 -1.33 0.00 0.00 177.39 177.45 1tdy n LEU 85 N 0.13 3.30 -4.83 2.23 4.77 -0.63 -3.56 117.00 118.40 1tdy n LEU 85 Ca 0.16 -2.21 -0.31 0.00 -0.03 0.00 0.00 56.01 53.62 1tdy n LEU 85 Cb 0.29 -0.33 0.02 0.00 -2.33 0.00 0.00 43.42 41.07 1tdy n LEU 85 CO 0.13 0.75 0.71 -1.10 -1.33 0.00 0.00 177.39 176.55 1tdy s GLN 86 N -1.37 3.33 0.28 3.23 -0.21 -1.23 -4.61 119.66 119.07 1tdy s GLN 86 Ca 0.30 0.95 0.08 0.00 0.02 0.00 0.00 55.36 56.71 1tdy s GLN 86 Cb 0.18 -2.04 0.38 0.00 1.00 0.00 0.00 33.01 32.53 1tdy s GLN 86 CO 0.16 -0.79 1.64 -0.44 -2.12 0.00 0.00 175.29 173.74 1tdy h ASP 87 N -0.15 0.14 -3.10 5.90 3.32 -1.93 -3.42 116.42 117.18 1tdy h ASP 87 Ca -0.45 -0.07 -0.57 0.00 0.02 0.00 0.00 57.03 55.95 1tdy h ASP 87 Cb 1.20 -0.04 -0.06 0.00 0.22 0.00 0.00 39.33 40.66 1tdy h ASP 87 CO 0.59 0.66 0.86 0.21 -1.72 0.00 0.00 179.24 179.83 1tdy s ASN 88 N -6.88 6.97 0.00 6.45 2.47 -1.26 -4.90 114.94 117.79 1tdy s ASN 88 Ca -0.03 1.35 0.19 0.00 0.42 0.00 0.00 52.86 54.79 1tdy s ASN 88 Cb 0.13 -2.54 0.52 0.00 -1.45 0.00 0.00 41.25 37.90 1tdy s ASN 88 CO 0.77 -0.79 1.43 2.30 -3.72 0.00 0.00 177.10 177.09 1tdy n ILE 89 N 5.58 0.62 -0.26 -5.21 -5.35 -1.26 -4.53 119.36 108.94 1tdy n ILE 89 Ca 0.13 -0.68 0.07 0.00 -0.27 0.00 0.00 62.75 62.00 1tdy n ILE 89 Cb 0.46 0.48 0.31 0.00 -1.74 0.00 0.00 39.64 39.16 1tdy n ILE 89 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1tdy h ALA 90 N 4.11 1.66 -0.29 -1.28 0.00 -1.95 -0.31 119.26 121.20 1tdy h ALA 90 Ca 0.00 -0.01 -0.18 0.00 0.00 0.00 0.00 54.91 54.72 1tdy h ALA 90 Cb 0.75 -0.20 -0.00 0.00 0.00 0.00 0.00 17.79 18.33 1tdy h ALA 90 CO 0.00 0.17 -0.52 -0.44 0.00 0.00 0.00 179.25 178.46 1tdy h ASP 91 N 0.85 0.92 -0.80 0.00 3.32 -1.87 -1.31 116.42 117.52 1tdy h ASP 91 Ca 0.39 -0.48 -0.04 0.00 0.02 0.00 0.00 57.03 56.92 1tdy h ASP 91 Cb 0.38 -0.26 -0.04 0.00 0.22 0.00 0.00 39.33 39.63 1tdy h ASP 91 CO -0.15 1.27 0.36 0.00 -1.72 0.00 0.00 179.24 178.99 1tdy h ALA 92 N 0.75 1.04 -0.46 3.45 0.00 -1.64 -1.23 119.26 121.17 1tdy h ALA 92 Ca 0.02 -0.17 -0.08 0.00 0.00 0.00 0.00 54.91 54.68 1tdy h ALA 92 Cb 1.12 -0.32 -0.02 0.00 0.00 0.00 0.00 17.79 18.58 1tdy h ALA 92 CO 0.11 0.63 -0.01 0.28 0.00 0.00 0.00 179.25 180.26 1tdy h VAL 93 N 1.15 1.26 -0.67 0.00 2.07 -0.96 0.35 116.25 119.46 1tdy h VAL 93 Ca 0.27 -1.08 -0.04 0.00 0.82 0.00 0.00 66.70 66.68 1tdy h VAL 93 Cb 0.16 1.03 -0.03 0.00 -1.52 0.00 0.00 31.29 30.93 1tdy h VAL 93 CO -0.03 0.37 0.25 0.00 0.02 0.00 0.00 177.57 178.19 1tdy h ALA 94 N 0.91 1.19 -0.23 1.67 0.00 -0.93 -1.39 119.26 120.49 1tdy h ALA 94 Ca 0.13 -0.18 -0.16 0.00 0.00 0.00 0.00 54.91 54.70 1tdy h ALA 94 Cb 0.52 -0.27 0.00 0.00 0.00 0.00 0.00 17.79 18.05 1tdy h ALA 94 CO 0.03 0.58 -0.48 0.00 0.00 0.00 0.00 179.25 179.37 1tdy h ALA 96 N 0.62 1.73 -0.71 0.00 0.00 -0.68 -0.82 119.26 119.39 1tdy h ALA 96 Ca 0.00 -0.02 -0.04 0.00 0.00 0.00 0.00 54.91 54.85 1tdy h ALA 96 Cb 1.09 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 18.67 1tdy h ALA 96 CO 0.11 0.17 0.28 0.87 0.00 0.00 0.00 179.25 180.67 1tdy h LYS 97 N 0.71 1.07 0.00 0.00 1.57 -1.15 -2.65 116.57 116.12 1tdy h LYS 97 Ca 0.29 -0.20 -0.00 0.00 -1.87 0.00 0.00 60.65 58.87 1tdy h LYS 97 Cb 0.24 -0.17 0.00 0.00 0.08 0.00 0.00 32.23 32.38 1tdy h LYS 97 CO -0.09 0.89 -0.00 -0.09 -0.57 0.00 0.00 179.45 179.59 1tdy h ARG 98 N 1.03 -0.00 -0.63 3.15 9.65 -0.95 -2.74 114.38 123.88 1tdy h ARG 98 Ca 0.24 0.00 0.12 0.00 -1.10 0.00 0.00 59.98 59.24 1tdy h ARG 98 Cb 0.22 0.00 -0.09 0.00 -1.39 0.00 0.00 29.97 28.71 1tdy h ARG 98 CO -0.02 0.03 0.12 0.28 2.80 0.00 0.00 179.97 183.19 1tdy h VAL 99 N -0.04 0.60 -0.00 0.20 2.07 -0.96 -2.28 116.25 115.83 1tdy h VAL 99 Ca -0.00 -0.08 0.00 0.00 0.82 0.00 0.00 66.70 67.44 1tdy h VAL 99 Cb 0.04 0.33 0.00 0.00 -1.52 0.00 0.00 31.29 30.14 1tdy h VAL 99 CO 0.00 0.04 -0.01 1.33 0.02 0.00 0.00 177.57 178.95 1tdy n VAL 100 N -5.15 0.00 0.78 2.57 0.24 -1.02 -2.84 118.33 112.91 1tdy n VAL 100 Ca 0.10 -0.07 0.12 0.00 -2.04 0.00 0.00 64.34 62.45 1tdy n VAL 100 Cb 0.35 -0.21 0.50 0.00 -1.47 0.00 0.00 33.84 33.01 1tdy n VAL 100 CO 0.00 0.00 0.00 0.54 -2.14 0.00 0.00 176.83 175.23 1tdy n ARG 101 N -0.74 0.05 -2.11 7.34 1.74 -0.86 -4.22 116.66 117.87 1tdy n ARG 101 Ca 0.21 0.12 -0.32 0.00 -0.77 0.00 0.00 57.85 57.09 1tdy n ARG 101 Cb 0.20 -1.57 -0.00 0.00 -1.02 0.00 0.00 32.46 30.06 1tdy n ARG 101 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 1tdy s ASP 102 N -3.31 6.10 0.49 0.55 1.11 -1.13 -4.97 116.67 115.52 1tdy s ASP 102 Ca 0.11 1.67 0.19 0.00 0.18 0.00 0.00 52.55 54.70 1tdy s ASP 102 Cb 0.15 -2.51 1.23 0.00 1.07 0.00 0.00 42.92 42.86 1tdy s ASP 102 CO 0.47 -0.95 2.01 1.55 1.18 0.00 0.00 175.17 179.43 1tdy h PRO 103 N 0.44 0.16 -0.06 8.23 0.13 -1.89 -1.31 132.00 137.70 1tdy h PRO 103 Ca -0.46 -0.01 -0.04 0.00 -0.87 0.00 0.00 66.00 64.62 1tdy h PRO 103 Cb 1.20 -0.04 -0.01 0.00 0.13 0.00 0.00 31.00 32.29 1tdy h PRO 103 CO 0.59 0.10 -0.15 1.96 -0.23 0.00 0.00 178.00 180.28 1tdy h GLN 104 N 0.16 0.08 0.00 0.86 7.50 -1.91 -3.48 115.11 118.33 1tdy h GLN 104 Ca 0.23 -0.02 0.00 0.00 0.50 0.00 0.00 58.65 59.36 1tdy h GLN 104 Cb 0.69 -0.01 0.00 0.00 0.05 0.00 0.00 27.48 28.21 1tdy h GLN 104 CO -0.03 0.24 0.00 0.41 -1.50 0.00 0.00 178.83 177.95 1tdy n GLY 105 N -0.99 2.32 0.24 3.46 0.00 -0.50 -2.33 105.19 107.39 1tdy n GLY 105 Ca -0.02 -0.51 0.16 0.00 0.00 0.00 0.00 46.02 45.66 1tdy n GLY 105 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 1tdy h ILE 106 N 0.00 0.00 0.00 -0.61 2.10 -1.90 -2.58 117.51 114.52 1tdy h ILE 106 Ca 0.00 -0.25 0.00 0.00 1.08 0.00 0.00 64.86 65.69 1tdy h ILE 106 Cb 0.00 1.11 0.00 0.00 -1.09 0.00 0.00 36.82 36.84 1tdy h ILE 106 CO 0.00 0.00 0.00 0.54 -1.08 0.00 0.00 178.15 177.61 1tdy n ARG 107 N -2.76 0.09 0.18 2.19 1.74 -0.98 -2.20 116.66 114.92 1tdy n ARG 107 Ca -0.00 0.49 0.15 0.00 -0.77 0.00 0.00 57.85 57.72 1tdy n ARG 107 Cb 0.19 -1.73 0.75 0.00 -1.02 0.00 0.00 32.46 30.65 1tdy n ARG 107 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1tdy h ALA 108 N 2.13 2.01 -2.61 7.54 0.00 -1.63 -3.37 119.26 123.34 1tdy h ALA 108 Ca 0.00 -0.01 -0.67 0.00 0.00 0.00 0.00 54.91 54.24 1tdy h ALA 108 Cb 0.11 0.01 -0.18 0.00 0.00 0.00 0.00 17.79 17.74 1tdy h ALA 108 CO 0.00 -0.27 -0.32 -1.58 0.00 0.00 0.00 179.25 177.08 1tdy s TRP 109 N -4.86 3.21 0.27 0.00 0.51 -0.93 -4.95 118.94 112.19 1tdy s TRP 109 Ca -0.05 -0.08 -0.04 0.00 -2.12 0.00 0.00 56.10 53.81 1tdy s TRP 109 Cb 0.17 -2.64 0.35 0.00 -0.81 0.00 0.00 33.47 30.54 1tdy s TRP 109 CO 0.63 -0.43 1.93 0.28 -0.51 0.00 0.00 176.95 178.84 1tdy h VAL 110 N 5.54 1.23 -0.74 4.03 2.07 -1.87 -1.52 116.25 124.99 1tdy h VAL 110 Ca -0.30 -0.49 0.16 0.00 0.82 0.00 0.00 66.70 66.89 1tdy h VAL 110 Cb 1.14 0.00 -0.05 0.00 -1.52 0.00 0.00 31.29 30.87 1tdy h VAL 110 CO 0.69 0.24 0.50 0.00 0.02 0.00 0.00 177.57 179.02 1tdy h ALA 111 N 1.40 2.21 -0.38 1.67 0.00 -1.93 0.28 119.26 122.51 1tdy h ALA 111 Ca 0.31 -0.00 -0.05 0.00 0.00 0.00 0.00 54.91 55.17 1tdy h ALA 111 Cb -0.07 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 17.67 1tdy h ALA 111 CO -0.06 -0.41 0.03 2.35 0.00 0.00 0.00 179.25 181.16 1tdy h TRP 112 N 0.34 0.69 -0.91 0.00 7.01 -1.59 -1.56 115.95 119.93 1tdy h TRP 112 Ca 0.36 -0.11 -0.01 0.00 2.11 0.00 0.00 58.89 61.25 1tdy h TRP 112 Cb 0.93 -0.19 -0.04 0.00 -2.10 0.00 0.00 29.16 27.77 1tdy h TRP 112 CO -0.00 0.71 0.53 0.00 -2.79 0.00 0.00 178.44 176.90 1tdy h ARG 113 N 0.47 1.25 -0.16 2.65 3.08 -0.98 0.51 114.38 121.21 1tdy h ARG 113 Ca 0.11 -0.12 -0.21 0.00 0.07 0.00 0.00 59.98 59.83 1tdy h ARG 113 Cb 0.42 -0.26 0.01 0.00 0.08 0.00 0.00 29.97 30.22 1tdy h ARG 113 CO 0.01 0.88 -0.73 -0.91 -1.07 0.00 0.00 179.97 178.16 1tdy h ASN 114 N 1.26 0.91 0.00 7.04 2.35 -1.02 -3.36 115.58 122.76 1tdy h ASN 114 Ca 0.32 -0.63 0.00 0.00 -0.55 0.00 0.00 56.30 55.45 1tdy h ASN 114 Cb -0.03 -0.27 0.00 0.00 0.05 0.00 0.00 38.32 38.07 1tdy h ASN 114 CO -0.06 1.39 -0.58 0.54 -1.65 0.00 0.00 177.43 177.07 1tdy n ARG 115 N -3.98 3.44 0.00 0.81 5.12 -0.60 -4.87 116.66 116.58 1tdy n ARG 115 Ca -0.07 -0.01 0.00 0.00 -1.93 0.00 0.00 57.85 55.83 1tdy n ARG 115 Cb 0.72 -0.97 0.00 0.00 -1.16 0.00 0.00 32.46 31.05 1tdy n ARG 115 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1tdy n GLN 117 N -2.14 2.26 -1.93 0.00 7.27 -0.46 -2.26 117.38 120.12 1tdy n GLN 117 Ca 0.00 0.82 -0.14 0.00 0.07 0.00 0.00 57.00 57.74 1tdy n GLN 117 Cb 0.31 -2.62 -0.03 0.00 2.41 0.00 0.00 30.24 30.32 1tdy n GLN 117 CO 0.00 0.00 0.00 0.09 0.07 0.00 0.00 177.06 177.22 1tdy n ASN 118 N 4.21 -4.54 -4.49 1.69 3.02 -1.26 -4.96 115.26 108.94 1tdy n ASN 118 Ca 0.18 0.13 -0.24 0.00 -0.03 0.00 0.00 54.58 54.63 1tdy n ASN 118 Cb 0.30 -3.54 -0.10 0.00 -0.61 0.00 0.00 39.78 35.83 1tdy n ASN 118 CO 0.00 0.00 0.00 -0.13 -2.62 0.00 0.00 177.26 174.51 1tdy s ARG 119 N -4.12 1.69 -0.52 3.52 0.52 -0.96 -5.08 118.95 114.01 1tdy s ARG 119 Ca 0.00 -1.86 -0.29 0.00 -0.52 0.00 0.00 55.73 53.06 1tdy s ARG 119 Cb 0.00 -1.44 0.03 0.00 0.52 0.00 0.00 34.95 34.06 1tdy s ARG 119 CO 0.00 0.09 1.15 0.34 0.02 0.00 0.00 175.30 176.90 1tdy s ASP 120 N -3.53 6.56 -0.13 0.23 2.15 -1.26 -4.87 116.67 115.81 1tdy s ASP 120 Ca 0.31 0.31 0.15 0.00 0.43 0.00 0.00 52.55 53.75 1tdy s ASP 120 Cb 0.03 -2.55 0.51 0.00 -0.30 0.00 0.00 42.92 40.62 1tdy s ASP 120 CO 0.14 -1.33 1.42 1.33 -0.17 0.00 0.00 175.17 176.57 1tdy n VAL 121 N 6.77 1.95 0.35 1.11 0.24 -1.26 -4.63 118.33 122.85 1tdy n VAL 121 Ca 0.10 -1.55 0.14 0.00 -2.04 0.00 0.00 64.34 60.99 1tdy n VAL 121 Cb 0.49 -0.02 0.42 0.00 -1.47 0.00 0.00 33.84 33.26 1tdy n VAL 121 CO 0.00 0.00 0.00 0.03 -2.14 0.00 0.00 176.83 174.72 1tdy h ARG 122 N 2.25 0.00 0.00 7.34 2.47 -1.92 -2.66 114.38 121.87 1tdy h ARG 122 Ca 0.00 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.72 1tdy h ARG 122 Cb 1.30 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 29.62 1tdy h ARG 122 CO 0.19 0.00 0.00 -0.56 0.56 0.00 0.00 179.97 180.16 1tdy h GLN 123 N 0.00 0.00 0.00 0.04 -0.00 -1.97 -2.33 115.11 110.85 1tdy h GLN 123 Ca 0.00 0.00 -0.03 0.00 -0.00 0.00 0.00 58.65 58.62 1tdy h GLN 123 Cb 0.70 0.00 -0.00 0.00 -0.00 0.00 0.00 27.48 28.18 1tdy h GLN 123 CO 0.00 0.00 -0.17 1.88 -0.00 0.00 0.00 178.83 180.54 1tdy h TYR 124 N 0.00 0.00 -0.04 0.06 0.05 -1.82 -3.22 116.97 112.00 1tdy h TYR 124 Ca 0.00 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.78 1tdy h TYR 124 Cb 0.37 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.11 1tdy h TYR 124 CO 0.00 0.17 0.00 1.33 -1.05 0.00 0.00 178.16 178.61 1tdy n VAL 125 N -3.35 0.12 -2.24 -2.88 0.24 -0.89 -4.87 118.33 104.45 1tdy n VAL 125 Ca -0.00 -0.56 -0.42 0.00 -2.04 0.00 0.00 64.34 61.32 1tdy n VAL 125 Cb 0.38 1.08 -0.03 0.00 -1.47 0.00 0.00 33.84 33.80 1tdy n VAL 125 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1tdy s GLN 126 N -0.69 4.38 0.00 7.34 -2.07 -1.10 -2.40 119.66 125.12 1tdy s GLN 126 Ca 0.10 2.01 0.00 0.00 -1.82 0.00 0.00 55.36 55.65 1tdy s GLN 126 Cb 0.07 -3.24 0.00 0.00 -1.09 0.00 0.00 33.01 28.75 1tdy s GLN 126 CO 0.10 -0.31 0.00 0.41 -1.32 0.00 0.00 175.29 174.17 1tdy n GLY 127 N 2.91 1.27 0.01 2.60 0.00 -1.26 -4.91 105.19 105.81 1tdy n GLY 127 Ca 0.08 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.24 1tdy n GLY 127 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1tdy n GLY 129 N 1.47 -0.30 0.00 0.00 0.00 -1.26 -4.84 105.19 100.26 1tdy n GLY 129 Ca 0.07 0.06 0.00 0.00 0.00 0.00 0.00 46.02 46.15 1tdy n GLY 129 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 173.32 174.87