#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1rez s VAL 2 N 0.00 5.18 0.73 3.15 1.01 -1.26 -1.17 120.40 128.03 1rez s VAL 2 Ca 0.00 -0.74 -0.12 0.00 0.00 0.00 0.00 61.98 61.11 1rez s VAL 2 Cb 0.00 -3.92 0.03 0.00 0.00 0.00 0.00 36.38 32.50 1rez s VAL 2 CO 0.00 -0.34 1.10 -0.36 0.00 0.00 0.00 175.10 175.50 1rez s PHE 3 N 1.66 2.61 0.26 5.22 0.40 -0.49 -4.99 117.98 122.65 1rez s PHE 3 Ca 0.05 1.55 -0.07 0.00 -0.60 0.00 0.00 56.93 57.85 1rez s PHE 3 Cb -0.20 -3.09 -0.06 0.00 0.51 0.00 0.00 43.02 40.18 1rez s PHE 3 CO 0.09 -1.73 0.56 -1.21 0.70 0.00 0.00 175.22 173.62 1rez s GLU 4 N -4.59 3.72 0.10 0.44 0.41 -1.26 -4.90 118.70 112.62 1rez s GLU 4 Ca 0.63 0.16 -0.27 0.00 -0.41 0.00 0.00 54.97 55.08 1rez s GLU 4 Cb -0.18 -2.64 -0.10 0.00 -1.78 0.00 0.00 34.13 29.43 1rez s GLU 4 CO 0.50 0.26 1.45 -0.09 -0.49 0.00 0.00 175.26 176.89 1rez h ARG 5 N 2.13 -0.37 0.00 1.61 2.43 -1.96 -1.08 114.38 117.13 1rez h ARG 5 Ca -0.47 0.03 -0.06 0.00 -0.81 0.00 0.00 59.98 58.66 1rez h ARG 5 Cb 1.18 0.08 -0.01 0.00 -0.42 0.00 0.00 29.97 30.80 1rez h ARG 5 CO 0.68 -0.25 -0.31 0.00 -1.51 0.00 0.00 179.97 178.59 1rez h GLU 7 N 0.00 0.47 -0.48 0.00 4.81 -1.84 -1.72 114.58 115.83 1rez h GLU 7 Ca -0.00 -0.09 -0.13 0.00 -0.13 0.00 0.00 59.36 59.01 1rez h GLU 7 Cb 0.62 -0.08 -0.01 0.00 0.63 0.00 0.00 28.75 29.91 1rez h GLU 7 CO 0.04 0.49 -0.21 1.25 -0.73 0.00 0.00 179.01 179.84 1rez h LEU 8 N 0.36 1.00 -0.51 1.64 5.85 -0.94 -2.26 115.31 120.44 1rez h LEU 8 Ca 0.10 -0.38 0.04 0.00 0.84 0.00 0.00 57.88 58.49 1rez h LEU 8 Cb 0.19 -0.27 -0.04 0.00 0.37 0.00 0.00 40.66 40.91 1rez h LEU 8 CO -0.01 1.17 0.28 0.00 -0.34 0.00 0.00 178.44 179.53 1rez h ALA 9 N 0.90 0.66 -0.40 1.25 0.00 -1.09 -0.01 119.26 120.57 1rez h ALA 9 Ca 0.11 0.01 -0.10 0.00 0.00 0.00 0.00 54.91 54.93 1rez h ALA 9 Cb 0.79 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.46 1rez h ALA 9 CO 0.07 -0.05 -0.18 0.00 0.00 0.00 0.00 179.25 179.09 1rez h ARG 10 N 0.54 0.75 -0.27 0.00 3.08 -1.24 -2.23 114.38 115.01 1rez h ARG 10 Ca 0.22 -0.28 -0.02 0.00 0.07 0.00 0.00 59.98 59.97 1rez h ARG 10 Cb 0.10 -0.05 -0.01 0.00 0.08 0.00 0.00 29.97 30.09 1rez h ARG 10 CO -0.14 0.88 0.08 1.15 -1.07 0.00 0.00 179.97 180.87 1rez h THR 11 N 0.67 1.20 -0.64 2.04 2.02 -0.75 -1.38 112.91 116.07 1rez h THR 11 Ca 0.10 -0.65 -0.05 0.00 0.77 0.00 0.00 66.41 66.58 1rez h THR 11 Cb 0.66 1.12 -0.03 0.00 -1.74 0.00 0.00 68.15 68.16 1rez h THR 11 CO 0.05 0.21 0.19 -0.07 0.37 0.00 0.00 175.52 176.27 1rez h LEU 12 N 0.28 0.92 -0.57 2.58 3.38 -0.95 -1.48 115.31 119.46 1rez h LEU 12 Ca 0.09 -0.16 -0.03 0.00 0.09 0.00 0.00 57.88 57.87 1rez h LEU 12 Cb 0.25 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 40.74 1rez h LEU 12 CO -0.00 0.87 0.25 0.50 0.09 0.00 0.00 178.44 180.14 1rez h LYS 13 N 0.95 0.84 -0.15 1.13 3.64 -1.21 -1.47 116.57 120.29 1rez h LYS 13 Ca 0.21 -0.14 -0.06 0.00 -1.27 0.00 0.00 60.65 59.39 1rez h LYS 13 Cb 0.29 -0.14 -0.01 0.00 -0.41 0.00 0.00 32.23 31.95 1rez h LYS 13 CO -0.01 0.71 -0.17 -0.09 -2.27 0.00 0.00 179.45 177.61 1rez h ARG 14 N 0.77 0.25 -0.45 1.90 2.43 -0.89 -2.04 114.38 116.35 1rez h ARG 14 Ca 0.19 -0.07 0.00 0.00 -0.81 0.00 0.00 59.98 59.30 1rez h ARG 14 Cb 0.17 -0.03 0.00 0.00 -0.42 0.00 0.00 29.97 29.69 1rez h ARG 14 CO -0.02 0.43 0.00 1.28 -1.51 0.00 0.00 179.97 180.15 1rez n LEU 15 N -4.23 1.92 -0.83 3.80 4.77 -0.59 -4.94 117.00 116.90 1rez n LEU 15 Ca -0.01 -0.96 -0.08 0.00 -0.03 0.00 0.00 56.01 54.93 1rez n LEU 15 Cb 0.30 -0.31 -0.01 0.00 -2.33 0.00 0.00 43.42 41.08 1rez n LEU 15 CO 0.39 0.38 -0.10 0.61 -1.33 0.00 0.00 177.39 177.35 1rez n GLY 16 N 0.74 0.32 0.13 -0.72 0.00 -0.77 -4.96 105.19 99.93 1rez n GLY 16 Ca 0.10 -0.59 0.12 0.00 0.00 0.00 0.00 46.02 45.65 1rez n GLY 16 CO 0.00 0.00 0.00 -0.33 0.00 0.00 0.00 173.32 172.99 1rez h MET 17 N 0.00 0.00 -6.35 1.61 2.86 -1.47 -3.40 114.93 108.18 1rez h MET 17 Ca -0.18 0.00 -0.57 0.00 -2.06 0.00 0.00 59.70 56.89 1rez h MET 17 Cb 0.96 0.00 -0.04 0.00 0.06 0.00 0.00 31.60 32.58 1rez h MET 17 CO 0.23 0.00 1.16 0.34 1.06 0.00 0.00 176.91 179.70 1rez s ASP 18 N -5.30 6.19 0.00 1.22 2.15 -1.26 -2.45 116.67 117.23 1rez s ASP 18 Ca 0.03 1.26 0.00 0.00 0.43 0.00 0.00 52.55 54.27 1rez s ASP 18 Cb 0.09 -2.53 0.00 0.00 -0.30 0.00 0.00 42.92 40.18 1rez s ASP 18 CO 0.75 -1.47 0.00 0.61 -0.17 0.00 0.00 175.17 174.88 1rez n GLY 19 N 5.06 0.79 3.68 2.66 0.00 0.30 -4.93 105.19 112.76 1rez n GLY 19 Ca 0.20 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.80 1rez n GLY 19 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1rez s TYR 20 N -3.12 1.85 -0.87 1.61 5.04 -1.02 -0.51 117.35 120.33 1rez s TYR 20 Ca 0.00 -0.19 -0.00 0.00 -2.44 0.00 0.00 57.07 54.44 1rez s TYR 20 Cb 0.00 -4.22 0.00 0.00 0.35 0.00 0.00 41.96 38.09 1rez s TYR 20 CO 0.00 -5.17 0.01 -2.13 -1.34 0.00 0.00 175.55 166.92 1rez n ARG 21 N 6.26 -2.39 -0.99 4.97 0.63 -1.26 -0.65 116.66 123.24 1rez n ARG 21 Ca 0.19 0.49 0.00 0.00 -0.92 0.00 0.00 57.85 57.60 1rez n ARG 21 Cb 0.39 -5.07 0.00 0.00 0.45 0.00 0.00 32.46 28.23 1rez n ARG 21 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 1rez n GLY 22 N -0.76 0.57 3.65 5.14 0.00 0.33 -5.02 105.19 109.11 1rez n GLY 22 Ca -0.12 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.51 1rez n GLY 22 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1rez s ILE 23 N -2.27 5.10 0.68 -0.61 1.01 0.18 -4.85 121.20 120.45 1rez s ILE 23 Ca 0.00 0.91 -0.14 0.00 0.00 0.00 0.00 60.65 61.42 1rez s ILE 23 Cb 0.00 -3.83 0.01 0.00 0.01 0.00 0.00 42.46 38.65 1rez s ILE 23 CO 0.00 0.16 1.09 -0.94 0.00 0.00 0.00 174.94 175.25 1rez s SER 24 N 1.26 5.08 0.27 3.58 1.04 -1.26 -0.54 113.70 123.13 1rez s SER 24 Ca 0.23 1.89 -0.03 0.00 0.48 0.00 0.00 55.95 58.52 1rez s SER 24 Cb -0.15 -2.54 0.38 0.00 0.10 0.00 0.00 66.02 63.82 1rez s SER 24 CO 0.09 -1.65 1.92 0.25 0.98 0.00 0.00 173.24 174.83 1rez h LEU 25 N -0.28 1.04 -1.31 2.42 5.85 -1.92 -1.81 115.31 119.30 1rez h LEU 25 Ca -0.46 -0.01 0.07 0.00 0.84 0.00 0.00 57.88 58.32 1rez h LEU 25 Cb 1.23 -0.24 -0.05 0.00 0.37 0.00 0.00 40.66 41.98 1rez h LEU 25 CO 0.54 0.72 0.51 0.00 -0.34 0.00 0.00 178.44 179.87 1rez h ALA 26 N 1.44 1.65 -0.23 1.25 0.00 -1.92 0.15 119.26 121.60 1rez h ALA 26 Ca 0.38 -0.02 -0.20 0.00 0.00 0.00 0.00 54.91 55.07 1rez h ALA 26 Cb 0.01 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 17.59 1rez h ALA 26 CO -0.12 0.23 -0.64 -0.91 0.00 0.00 0.00 179.25 177.81 1rez h ASN 27 N 0.83 0.95 -0.69 0.00 2.35 -1.67 -0.29 115.58 117.07 1rez h ASN 27 Ca 0.34 -0.58 -0.05 0.00 -0.55 0.00 0.00 56.30 55.46 1rez h ASN 27 Cb 0.25 -0.28 -0.03 0.00 0.05 0.00 0.00 38.32 38.31 1rez h ASN 27 CO -0.12 1.36 0.22 -0.50 -1.65 0.00 0.00 177.43 176.75 1rez h TRP 28 N 0.59 1.12 -0.46 1.19 -0.00 -0.82 -2.34 115.95 115.22 1rez h TRP 28 Ca -0.02 -0.10 -0.09 0.00 -0.00 0.00 0.00 58.89 58.68 1rez h TRP 28 Cb 1.26 -0.33 -0.02 0.00 -0.00 0.00 0.00 29.16 30.07 1rez h TRP 28 CO 0.08 0.88 -0.07 0.52 -0.00 0.00 0.00 178.44 179.85 1rez h MET 29 N 1.04 0.87 -0.53 0.49 2.86 -0.56 -1.82 114.93 117.29 1rez h MET 29 Ca 0.23 -0.32 0.00 0.00 -2.06 0.00 0.00 59.70 57.56 1rez h MET 29 Cb 0.29 -0.06 -0.03 0.00 0.06 0.00 0.00 31.60 31.86 1rez h MET 29 CO -0.01 0.95 0.34 0.00 1.06 0.00 0.00 176.91 179.25 1rez h LEU 31 N 0.72 0.34 -0.55 0.00 8.10 -1.31 -2.09 115.31 120.51 1rez h LEU 31 Ca 0.19 -0.20 -0.05 0.00 0.11 0.00 0.00 57.88 57.93 1rez h LEU 31 Cb -0.05 -0.10 -0.02 0.00 -0.44 0.00 0.00 40.66 40.05 1rez h LEU 31 CO -0.04 0.88 0.16 0.00 -4.11 0.00 0.00 178.44 175.32 1rez h ALA 32 N 1.12 0.73 0.30 0.17 0.00 -1.10 0.22 119.26 120.69 1rez h ALA 32 Ca -0.01 -0.21 -0.00 0.00 0.00 0.00 0.00 54.91 54.69 1rez h ALA 32 Cb 1.15 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.71 1rez h ALA 32 CO 0.10 0.41 -0.23 -0.22 0.00 0.00 0.00 179.25 179.31 1rez h LYS 33 N 0.78 -0.51 0.00 0.00 1.63 -1.09 -1.10 116.57 116.28 1rez h LYS 33 Ca 0.18 0.03 0.00 0.00 -0.85 0.00 0.00 60.65 60.01 1rez h LYS 33 Cb 0.31 0.12 0.00 0.00 -0.60 0.00 0.00 32.23 32.05 1rez h LYS 33 CO -0.00 -0.34 -0.15 -1.49 -3.45 0.00 0.00 179.45 174.02 1rez h TRP 34 N -0.53 0.00 0.21 1.91 4.06 -1.29 0.98 115.95 121.29 1rez h TRP 34 Ca -0.02 0.00 -0.34 0.00 2.06 0.00 0.00 58.89 60.59 1rez h TRP 34 Cb 0.46 0.00 0.02 0.00 -1.00 0.00 0.00 29.16 28.64 1rez h TRP 34 CO -0.13 0.00 -1.61 0.93 -3.56 0.00 0.00 178.44 174.07 1rez h GLU 35 N 0.00 0.44 0.00 0.49 4.39 -0.50 -3.43 114.58 115.96 1rez h GLU 35 Ca 0.00 -0.75 0.00 0.00 0.34 0.00 0.00 59.36 58.95 1rez h GLU 35 Cb 0.97 0.28 0.00 0.00 -0.10 0.00 0.00 28.75 29.90 1rez h GLU 35 CO 0.00 1.35 0.00 -1.13 -1.16 0.00 0.00 179.01 178.07 1rez n SER 36 N -3.62 0.03 -0.96 1.42 3.41 -0.46 -4.84 113.62 108.60 1rez n SER 36 Ca -0.20 -0.23 -0.09 0.00 -0.26 0.00 0.00 58.87 58.09 1rez n SER 36 Cb 1.08 0.17 -0.02 0.00 -0.26 0.00 0.00 64.21 65.19 1rez n SER 36 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1rez n GLY 37 N 0.17 0.33 2.37 5.00 0.00 0.34 -2.62 105.19 110.79 1rez n GLY 37 Ca 0.00 -0.53 -0.12 0.00 0.00 0.00 0.00 46.02 45.37 1rez n GLY 37 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1rez n TYR 38 N -3.61 0.00 -3.53 1.61 4.01 -1.20 -4.82 117.16 109.63 1rez n TYR 38 Ca -0.11 0.00 -0.39 0.00 -0.16 0.00 0.00 57.90 57.25 1rez n TYR 38 Cb 0.50 -2.19 -0.10 0.00 -0.31 0.00 0.00 39.34 37.24 1rez n TYR 38 CO 0.00 0.00 0.00 1.21 -0.46 0.00 0.00 176.86 177.61 1rez s ASN 39 N -2.82 6.09 0.37 7.72 3.84 -1.08 -1.40 114.94 127.66 1rez s ASN 39 Ca 0.00 0.04 0.27 0.00 0.21 0.00 0.00 52.86 53.38 1rez s ASN 39 Cb 0.00 -2.15 1.10 0.00 -0.55 0.00 0.00 41.25 39.65 1rez s ASN 39 CO 0.00 -0.11 1.81 0.71 -2.79 0.00 0.00 177.10 176.73 1rez h THR 40 N 5.39 0.00 -0.32 -5.21 1.35 -1.48 -2.93 112.91 109.71 1rez h THR 40 Ca -0.34 -0.36 0.00 0.00 -0.55 0.00 0.00 66.41 65.16 1rez h THR 40 Cb 1.18 1.21 0.00 0.00 -1.73 0.00 0.00 68.15 68.81 1rez h THR 40 CO 0.58 0.00 0.00 0.54 -0.25 0.00 0.00 175.52 176.39 1rez n ARG 41 N -2.57 2.40 -1.74 4.72 1.74 -1.26 -4.16 116.66 115.79 1rez n ARG 41 Ca 0.02 -2.11 -0.42 0.00 -0.77 0.00 0.00 57.85 54.57 1rez n ARG 41 Cb 0.27 -1.50 -0.03 0.00 -1.02 0.00 0.00 32.46 30.19 1rez n ARG 41 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1rez s ALA 42 N -1.59 3.92 -0.02 7.54 0.00 -1.11 -4.80 121.76 125.70 1rez s ALA 42 Ca 0.37 1.58 0.00 0.00 0.00 0.00 0.00 51.96 53.91 1rez s ALA 42 Cb 0.22 -3.69 0.02 0.00 0.00 0.00 0.00 23.12 19.67 1rez s ALA 42 CO 0.31 -0.92 0.00 0.99 0.00 0.00 0.00 175.76 176.14 1rez s THR 43 N 1.07 0.10 -0.07 0.00 2.01 -1.26 -0.41 115.64 117.08 1rez s THR 43 Ca 0.74 0.06 -0.01 0.00 0.31 0.00 0.00 61.69 62.79 1rez s THR 43 Cb -0.49 -0.16 0.03 0.00 0.01 0.00 0.00 72.50 71.88 1rez s THR 43 CO 0.33 0.09 -0.02 0.20 -0.69 0.00 0.00 174.62 174.54 1rez s ASN 44 N 0.63 1.55 -0.17 3.53 0.02 -0.38 -4.98 114.94 115.14 1rez s ASN 44 Ca -0.06 -0.12 -0.08 0.00 -1.02 0.00 0.00 52.86 51.58 1rez s ASN 44 Cb -0.09 -0.49 -0.04 0.00 0.02 0.00 0.00 41.25 40.65 1rez s ASN 44 CO -0.01 -0.16 0.11 -0.47 0.02 0.00 0.00 177.10 176.59 1rez s TYR 45 N 1.76 3.41 -0.52 2.20 5.04 -1.26 -0.00 117.35 127.98 1rez s TYR 45 Ca 0.02 0.31 -0.15 0.00 -2.44 0.00 0.00 57.07 54.82 1rez s TYR 45 Cb -0.13 -2.07 0.12 0.00 0.35 0.00 0.00 41.96 40.23 1rez s TYR 45 CO -0.05 0.37 0.46 1.21 -1.34 0.00 0.00 175.55 176.20 1rez s ASN 46 N -0.02 6.12 0.44 4.32 3.84 0.53 -4.93 114.94 125.24 1rez s ASN 46 Ca 0.09 -1.70 0.10 0.00 0.21 0.00 0.00 52.86 51.56 1rez s ASN 46 Cb -0.12 -2.18 0.97 0.00 -0.55 0.00 0.00 41.25 39.38 1rez s ASN 46 CO 0.00 -0.79 2.06 0.00 -2.79 0.00 0.00 177.10 175.58 1rez h ALA 47 N 8.81 1.76 0.33 1.71 0.00 -1.97 0.62 119.26 130.52 1rez h ALA 47 Ca -0.29 -0.05 -0.02 0.00 0.00 0.00 0.00 54.91 54.56 1rez h ALA 47 Cb 1.10 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.79 1rez h ALA 47 CO 0.98 0.20 -0.16 0.78 0.00 0.00 0.00 179.25 181.05 1rez h GLY 48 N 0.41 -0.46 -2.20 0.00 0.00 -1.96 -3.28 103.07 95.59 1rez h GLY 48 Ca 0.09 0.17 0.00 0.00 0.00 0.00 0.00 47.33 47.59 1rez h GLY 48 CO -0.01 -0.17 0.00 2.09 0.00 0.00 0.00 176.54 178.45 1rez n ASP 49 N -5.21 3.33 -3.69 0.19 5.68 -1.19 -4.99 116.55 110.67 1rez n ASP 49 Ca -0.10 -1.98 -0.21 0.00 -0.50 0.00 0.00 54.79 52.00 1rez n ASP 49 Cb 0.24 -0.23 0.03 0.00 -1.14 0.00 0.00 41.12 40.02 1rez n ASP 49 CO 0.00 0.00 0.00 0.54 -1.33 0.00 0.00 177.20 176.41 1rez n ARG 50 N 1.41 -4.73 -4.14 0.11 1.74 0.20 -4.89 116.66 106.36 1rez n ARG 50 Ca 0.19 0.62 -0.09 0.00 -0.77 0.00 0.00 57.85 57.80 1rez n ARG 50 Cb 0.59 -5.15 -0.10 0.00 -1.02 0.00 0.00 32.46 26.78 1rez n ARG 50 CO 0.00 0.00 0.00 -1.54 -1.52 0.00 0.00 177.63 174.57 1rez s SER 51 N -4.32 0.91 0.06 0.55 1.04 -1.15 -4.31 113.70 106.48 1rez s SER 51 Ca 0.02 -1.00 0.07 0.00 0.48 0.00 0.00 55.95 55.53 1rez s SER 51 Cb -0.01 0.13 -0.03 0.00 0.10 0.00 0.00 66.02 66.22 1rez s SER 51 CO 0.81 -0.51 -0.20 -0.89 0.98 0.00 0.00 173.24 173.43 1rez s THR 52 N -3.71 1.59 -0.20 2.02 2.01 -1.26 -0.34 115.64 115.75 1rez s THR 52 Ca 0.10 -1.30 -0.07 0.00 0.31 0.00 0.00 61.69 60.73 1rez s THR 52 Cb 0.06 -1.42 -0.04 0.00 0.01 0.00 0.00 72.50 71.12 1rez s THR 52 CO -0.07 0.07 0.06 -1.81 -0.69 0.00 0.00 174.62 172.18 1rez s ASP 53 N -1.45 5.41 -0.05 3.53 1.11 0.99 -0.76 116.67 125.47 1rez s ASP 53 Ca 0.06 -0.02 0.04 0.00 0.18 0.00 0.00 52.55 52.81 1rez s ASP 53 Cb -0.09 -1.94 -0.02 0.00 1.07 0.00 0.00 42.92 41.94 1rez s ASP 53 CO 0.03 0.12 -0.17 -0.31 1.18 0.00 0.00 175.17 176.01 1rez s TYR 54 N 0.72 2.62 0.00 4.23 1.51 -0.44 -1.25 117.35 124.74 1rez s TYR 54 Ca 0.03 -0.26 0.00 0.00 -1.01 0.00 0.00 57.07 55.82 1rez s TYR 54 Cb -0.13 -1.61 0.00 0.00 -0.11 0.00 0.00 41.96 40.10 1rez s TYR 54 CO 0.02 0.10 0.00 0.41 -1.11 0.00 0.00 175.55 174.97 1rez n GLY 55 N 2.42 -1.79 0.25 0.71 0.00 0.45 -1.88 105.19 105.35 1rez n GLY 55 Ca -0.17 -1.34 0.09 0.00 0.00 0.00 0.00 46.02 44.60 1rez n GLY 55 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 1rez h ILE 56 N 0.00 0.87 -0.04 -0.61 2.10 -1.71 -1.92 117.51 116.20 1rez h ILE 56 Ca 0.00 -0.48 0.00 0.00 1.08 0.00 0.00 64.86 65.46 1rez h ILE 56 Cb 0.00 1.28 0.00 0.00 -1.09 0.00 0.00 36.82 37.01 1rez h ILE 56 CO 0.00 0.13 0.00 0.49 -1.08 0.00 0.00 178.15 177.69 1rez n PHE 57 N -4.06 0.02 -3.75 2.19 3.72 -1.26 -4.09 117.46 110.23 1rez n PHE 57 Ca -0.02 -0.01 -0.31 0.00 -0.05 0.00 0.00 57.45 57.06 1rez n PHE 57 Cb 0.21 -0.00 0.03 0.00 -0.94 0.00 0.00 39.48 38.78 1rez n PHE 57 CO 0.00 0.00 0.00 1.04 -0.05 0.00 0.00 176.76 177.75 1rez n GLN 58 N 1.16 -1.68 -2.94 -1.08 1.13 -0.72 -4.93 117.38 108.32 1rez n GLN 58 Ca 0.12 0.43 -0.40 0.00 -1.94 0.00 0.00 57.00 55.21 1rez n GLN 58 Cb 0.52 -4.16 -0.04 0.00 0.11 0.00 0.00 30.24 26.67 1rez n GLN 58 CO 0.00 0.00 0.00 0.42 -1.44 0.00 0.00 177.06 176.04 1rez s ILE 59 N -3.56 4.99 0.13 5.09 1.01 -0.79 -4.52 121.20 123.55 1rez s ILE 59 Ca 0.38 1.63 -0.30 0.00 0.00 0.00 0.00 60.65 62.36 1rez s ILE 59 Cb -0.14 -4.13 -0.07 0.00 0.01 0.00 0.00 42.46 38.13 1rez s ILE 59 CO 0.87 0.22 1.24 0.21 0.00 0.00 0.00 174.94 177.49 1rez s ASN 60 N 0.86 7.02 0.00 3.58 3.84 -1.26 -1.32 114.94 127.66 1rez s ASN 60 Ca 0.42 2.19 0.20 0.00 0.21 0.00 0.00 52.86 55.87 1rez s ASN 60 Cb -0.19 -2.59 0.89 0.00 -0.55 0.00 0.00 41.25 38.80 1rez s ASN 60 CO 0.21 -0.47 1.63 -1.54 -2.79 0.00 0.00 177.10 174.15 1rez n SER 61 N 3.28 0.00 0.06 -4.21 3.41 0.06 -2.00 113.62 114.22 1rez n SER 61 Ca 0.07 0.38 -0.10 0.00 -0.26 0.00 0.00 58.87 58.97 1rez n SER 61 Cb 0.45 -0.45 -0.13 0.00 -0.26 0.00 0.00 64.21 63.82 1rez n SER 61 CO 0.00 0.00 0.00 -0.09 -0.16 0.00 0.00 175.04 174.79 1rez h ARG 62 N 0.00 0.09 0.00 4.33 2.43 -1.84 -3.41 114.38 115.98 1rez h ARG 62 Ca 0.00 -0.15 -0.14 0.00 -0.81 0.00 0.00 59.98 58.89 1rez h ARG 62 Cb 0.31 0.05 -0.03 0.00 -0.42 0.00 0.00 29.97 29.88 1rez h ARG 62 CO 0.00 0.99 -1.52 0.66 -1.51 0.00 0.00 179.97 178.59 1rez n TYR 63 N -3.36 0.00 -0.06 2.20 4.01 -1.18 0.74 117.16 119.51 1rez n TYR 63 Ca -0.06 0.00 -0.08 0.00 -0.16 0.00 0.00 57.90 57.60 1rez n TYR 63 Cb 0.99 -0.37 -0.06 0.00 -0.31 0.00 0.00 39.34 39.59 1rez n TYR 63 CO 0.00 0.00 0.00 0.91 -0.46 0.00 0.00 176.86 177.31 1rez n TRP 64 N -2.35 0.00 -4.31 -0.72 7.02 -0.85 -0.85 117.44 115.38 1rez n TRP 64 Ca -0.13 0.00 -0.18 0.00 -1.02 0.00 0.00 57.50 56.17 1rez n TRP 64 Cb 0.73 -0.47 -0.10 0.00 -2.42 0.00 0.00 31.31 29.05 1rez n TRP 64 CO 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 177.69 175.67 1rez s ASN 66 N -3.03 4.77 0.00 0.00 2.47 0.67 -4.45 114.94 115.37 1rez s ASN 66 Ca 0.18 -0.36 0.11 0.00 0.42 0.00 0.00 52.86 53.22 1rez s ASN 66 Cb -0.02 -1.84 0.22 0.00 -1.45 0.00 0.00 41.25 38.17 1rez s ASN 66 CO 0.05 -0.05 1.10 -0.90 -3.72 0.00 0.00 177.10 173.58 1rez n ASP 67 N 4.86 2.54 0.00 -4.21 5.68 -1.26 -1.92 116.55 122.25 1rez n ASP 67 Ca -0.17 -1.79 0.00 0.00 -0.50 0.00 0.00 54.79 52.34 1rez n ASP 67 Cb 0.51 -0.14 0.00 0.00 -1.14 0.00 0.00 41.12 40.35 1rez n ASP 67 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1rez n GLY 68 N 0.59 1.95 0.86 6.12 0.00 -1.26 -4.74 105.19 108.71 1rez n GLY 68 Ca 0.10 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.20 1rez n GLY 68 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 1rez n LYS 69 N -1.58 2.96 -3.65 1.61 2.85 -1.26 -4.93 118.16 114.15 1rez n LYS 69 Ca 0.00 -2.68 -0.39 0.00 -1.05 0.00 0.00 58.31 54.19 1rez n LYS 69 Cb 0.00 -1.73 -0.12 0.00 -0.65 0.00 0.00 35.03 32.53 1rez n LYS 69 CO 0.00 0.00 0.00 0.99 -0.05 0.00 0.00 177.40 178.34 1rez s THR 70 N -2.42 4.49 0.27 0.58 2.01 -1.26 -4.96 115.64 114.35 1rez s THR 70 Ca 0.38 -0.60 -0.30 0.00 0.31 0.00 0.00 61.69 61.48 1rez s THR 70 Cb 0.29 -3.36 -0.11 0.00 0.01 0.00 0.00 72.50 69.33 1rez s THR 70 CO 0.11 -0.03 1.58 -2.16 -0.69 0.00 0.00 174.62 173.43 1rez s PRO 71 N 1.58 4.15 -1.26 4.92 0.04 -1.26 -2.75 135.00 140.41 1rez s PRO 71 Ca 0.03 2.53 0.00 0.00 0.04 0.00 0.00 61.00 63.60 1rez s PRO 71 Cb -0.18 -3.05 0.00 0.00 0.04 0.00 0.00 34.50 31.32 1rez s PRO 71 CO 0.06 -0.61 0.00 0.41 0.04 0.00 0.00 177.00 176.90 1rez n GLY 72 N 2.38 0.33 3.75 0.56 0.00 -1.26 -4.96 105.19 105.99 1rez n GLY 72 Ca 0.09 -0.33 -0.35 0.00 0.00 0.00 0.00 46.02 45.42 1rez n GLY 72 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1rez s ALA 73 N -2.63 2.50 -0.06 4.61 0.00 -1.11 -4.89 121.76 120.18 1rez s ALA 73 Ca 0.00 0.89 0.05 0.00 0.00 0.00 0.00 51.96 52.89 1rez s ALA 73 Cb 0.00 -3.42 -0.07 0.00 0.00 0.00 0.00 23.12 19.63 1rez s ALA 73 CO 0.00 -1.22 0.01 0.28 0.00 0.00 0.00 175.76 174.83 1rez n VAL 74 N -1.83 0.42 -3.57 0.00 0.31 0.23 -4.98 118.33 108.90 1rez n VAL 74 Ca 0.13 -0.24 -0.21 0.00 -0.01 0.00 0.00 64.34 64.00 1rez n VAL 74 Cb 0.50 -0.83 0.05 0.00 -0.91 0.00 0.00 33.84 32.65 1rez n VAL 74 CO 0.00 0.00 0.00 -3.20 -1.32 0.00 0.00 176.83 172.31 1rez n ASN 75 N -2.31 -3.07 0.29 4.52 5.15 -1.16 -4.90 115.26 113.78 1rez n ASN 75 Ca -0.10 -0.81 0.17 0.00 -0.60 0.00 0.00 54.58 53.24 1rez n ASN 75 Cb 0.69 -4.30 0.82 0.00 -0.53 0.00 0.00 39.78 36.45 1rez n ASN 75 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1rez h ALA 76 N 0.68 1.06 -0.00 5.20 0.00 -0.99 -1.65 119.26 123.55 1rez h ALA 76 Ca -0.62 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.25 1rez h ALA 76 Cb 1.35 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.13 1rez h ALA 76 CO 0.52 0.06 -0.34 0.00 0.00 0.00 0.00 179.25 179.48 1rez n HIS 78 N -1.10 -2.36 -4.20 0.00 -0.00 -0.62 -4.99 115.22 101.95 1rez n HIS 78 Ca 0.09 0.93 -0.18 0.00 -0.00 0.00 0.00 57.72 58.56 1rez n HIS 78 Cb 0.34 -4.61 -0.12 0.00 -0.00 0.00 0.00 29.99 25.59 1rez n HIS 78 CO 0.00 0.00 0.00 -0.51 -0.00 0.00 0.00 176.34 175.83 1rez s LEU 79 N -6.96 2.24 0.04 2.41 1.43 -1.26 -5.05 118.68 111.52 1rez s LEU 79 Ca 0.35 -0.55 -0.28 0.00 -1.03 0.00 0.00 54.13 52.62 1rez s LEU 79 Cb -0.17 -0.48 -0.05 0.00 0.03 0.00 0.00 46.19 45.53 1rez s LEU 79 CO 0.78 -0.06 0.89 -0.55 0.23 0.00 0.00 176.35 177.63 1rez s SER 80 N -1.51 7.33 0.60 2.29 0.15 -1.26 -0.24 113.70 121.05 1rez s SER 80 Ca -0.02 1.59 0.30 0.00 0.70 0.00 0.00 55.95 58.52 1rez s SER 80 Cb -0.09 -2.53 1.68 0.00 -1.71 0.00 0.00 66.02 63.36 1rez s SER 80 CO 0.02 -0.12 2.08 0.00 1.20 0.00 0.00 173.24 176.42 1rez h SER 82 N 0.00 0.00 0.23 0.00 4.64 -1.91 -1.20 113.55 115.32 1rez h SER 82 Ca 0.09 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.40 1rez h SER 82 Cb 0.56 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.64 1rez h SER 82 CO -0.00 0.05 -0.06 0.00 -0.87 0.00 0.00 176.83 175.95 1rez h ALA 83 N 1.95 1.31 -0.39 5.18 0.00 -1.12 -0.81 119.26 125.38 1rez h ALA 83 Ca -0.00 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.86 1rez h ALA 83 Cb 0.09 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.87 1rez h ALA 83 CO 0.01 0.07 0.00 1.28 0.00 0.00 0.00 179.25 180.61 1rez n LEU 84 N -3.60 2.19 -0.19 0.00 4.77 -0.45 -3.68 117.00 116.03 1rez n LEU 84 Ca -0.02 -1.09 0.02 0.00 -0.03 0.00 0.00 56.01 54.88 1rez n LEU 84 Cb 0.17 -0.28 0.03 0.00 -2.33 0.00 0.00 43.42 41.01 1rez n LEU 84 CO 0.28 0.52 0.42 0.18 -1.33 0.00 0.00 177.39 177.45 1rez n LEU 85 N 0.63 1.79 -4.84 2.23 4.77 -0.31 -3.55 117.00 117.72 1rez n LEU 85 Ca 0.13 -1.46 -0.31 0.00 -0.03 0.00 0.00 56.01 54.34 1rez n LEU 85 Cb 0.36 -0.04 0.02 0.00 -2.33 0.00 0.00 43.42 41.43 1rez n LEU 85 CO 0.09 0.42 0.71 -1.10 -1.33 0.00 0.00 177.39 176.19 1rez s GLN 86 N -0.64 3.34 0.26 3.23 -1.52 -1.24 -4.55 119.66 118.54 1rez s GLN 86 Ca 0.06 0.92 0.05 0.00 -1.95 0.00 0.00 55.36 54.45 1rez s GLN 86 Cb 0.04 -2.04 0.34 0.00 -0.22 0.00 0.00 33.01 31.12 1rez s GLN 86 CO 0.05 -0.77 1.62 -0.44 -0.25 0.00 0.00 175.29 175.50 1rez h ASP 87 N -0.21 0.26 -3.55 5.90 3.32 -1.93 -3.39 116.42 116.82 1rez h ASP 87 Ca -0.45 -0.13 -0.58 0.00 0.02 0.00 0.00 57.03 55.89 1rez h ASP 87 Cb 1.20 -0.07 -0.08 0.00 0.22 0.00 0.00 39.33 40.60 1rez h ASP 87 CO 0.59 0.73 0.76 0.21 -1.72 0.00 0.00 179.24 179.82 1rez s ASN 88 N -6.89 6.70 -0.05 6.45 3.84 -1.26 -4.93 114.94 118.80 1rez s ASN 88 Ca -0.04 0.59 0.08 0.00 0.21 0.00 0.00 52.86 53.69 1rez s ASN 88 Cb 0.13 -2.51 0.31 0.00 -0.55 0.00 0.00 41.25 38.63 1rez s ASN 88 CO 0.79 -1.02 1.13 2.30 -2.79 0.00 0.00 177.10 177.50 1rez n ILE 89 N 6.30 0.79 -0.18 -5.21 -5.35 -1.26 -4.44 119.36 110.02 1rez n ILE 89 Ca 0.10 -0.50 -0.04 0.00 -0.27 0.00 0.00 62.75 62.04 1rez n ILE 89 Cb 0.48 -0.10 0.06 0.00 -1.74 0.00 0.00 39.64 38.34 1rez n ILE 89 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1rez h ALA 90 N 3.20 0.69 -0.27 -1.28 0.00 -1.94 -0.58 119.26 119.09 1rez h ALA 90 Ca 0.00 0.03 -0.12 0.00 0.00 0.00 0.00 54.91 54.82 1rez h ALA 90 Cb 0.77 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.49 1rez h ALA 90 CO 0.11 -0.09 -0.33 -0.44 0.00 0.00 0.00 179.25 178.50 1rez h ASP 91 N 0.51 0.59 -0.79 0.00 3.32 -1.87 -1.48 116.42 116.70 1rez h ASP 91 Ca 0.24 -0.23 -0.01 0.00 0.02 0.00 0.00 57.03 57.05 1rez h ASP 91 Cb 0.17 -0.16 -0.04 0.00 0.22 0.00 0.00 39.33 39.51 1rez h ASP 91 CO -0.18 0.88 0.47 0.00 -1.72 0.00 0.00 179.24 178.69 1rez h ALA 92 N 1.16 1.01 -0.11 3.45 0.00 -1.65 -1.33 119.26 121.78 1rez h ALA 92 Ca 0.06 -0.10 -0.03 0.00 0.00 0.00 0.00 54.91 54.84 1rez h ALA 92 Cb 0.81 -0.32 -0.00 0.00 0.00 0.00 0.00 17.79 18.27 1rez h ALA 92 CO 0.07 0.49 -0.04 0.28 0.00 0.00 0.00 179.25 180.05 1rez h VAL 93 N 1.09 1.31 -0.74 0.00 2.07 -0.88 0.99 116.25 120.09 1rez h VAL 93 Ca 0.28 -1.03 0.05 0.00 0.82 0.00 0.00 66.70 66.82 1rez h VAL 93 Cb -0.02 1.75 -0.04 0.00 -1.52 0.00 0.00 31.29 31.46 1rez h VAL 93 CO -0.05 0.29 0.49 0.00 0.02 0.00 0.00 177.57 178.32 1rez h ALA 94 N 0.67 1.62 -0.00 1.67 0.00 -1.07 -0.22 119.26 121.92 1rez h ALA 94 Ca 0.03 -0.03 -0.24 0.00 0.00 0.00 0.00 54.91 54.66 1rez h ALA 94 Cb 0.48 -0.23 0.01 0.00 0.00 0.00 0.00 17.79 18.05 1rez h ALA 94 CO 0.01 0.29 -0.99 0.00 0.00 0.00 0.00 179.25 178.57 1rez h ALA 96 N 0.58 1.38 -0.33 0.00 0.00 -0.09 -0.34 119.26 120.46 1rez h ALA 96 Ca -0.10 -0.09 -0.10 0.00 0.00 0.00 0.00 54.91 54.62 1rez h ALA 96 Cb 1.63 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 19.12 1rez h ALA 96 CO 0.18 0.52 -0.20 0.87 0.00 0.00 0.00 179.25 180.63 1rez h LYS 97 N 0.98 0.62 -0.28 0.00 1.57 -0.94 -2.51 116.57 116.01 1rez h LYS 97 Ca 0.25 -0.22 -0.05 0.00 -1.87 0.00 0.00 60.65 58.77 1rez h LYS 97 Cb -0.01 -0.04 -0.01 0.00 0.08 0.00 0.00 32.23 32.25 1rez h LYS 97 CO -0.04 0.78 -0.00 -0.09 -0.57 0.00 0.00 179.45 179.52 1rez h ARG 98 N 0.55 0.50 -0.67 3.15 9.65 -0.86 -3.00 114.38 123.70 1rez h ARG 98 Ca 0.09 -0.16 0.10 0.00 -1.10 0.00 0.00 59.98 58.90 1rez h ARG 98 Cb 0.64 -0.04 -0.07 0.00 -1.39 0.00 0.00 29.97 29.10 1rez h ARG 98 CO 0.05 0.66 0.29 0.28 2.80 0.00 0.00 179.97 184.05 1rez h VAL 99 N 0.29 0.79 0.00 0.20 2.07 -0.78 -0.29 116.25 118.54 1rez h VAL 99 Ca 0.08 -0.17 0.00 0.00 0.82 0.00 0.00 66.70 67.43 1rez h VAL 99 Cb 0.43 0.25 0.00 0.00 -1.52 0.00 0.00 31.29 30.45 1rez h VAL 99 CO 0.02 0.09 0.00 -0.37 0.02 0.00 0.00 177.57 177.33 1rez h VAL 100 N 0.50 0.00 0.00 2.57 -1.51 -1.41 -2.37 116.25 114.03 1rez h VAL 100 Ca 0.34 -0.35 0.00 0.00 -1.23 0.00 0.00 66.70 65.46 1rez h VAL 100 Cb 0.40 1.20 0.00 0.00 -2.13 0.00 0.00 31.29 30.77 1rez h VAL 100 CO -0.30 0.00 0.00 0.54 -1.23 0.00 0.00 177.57 176.58 1rez n ARG 101 N -2.61 0.48 -2.69 5.19 1.74 -0.12 -4.07 116.66 114.59 1rez n ARG 101 Ca 0.01 0.02 -0.32 0.00 -0.77 0.00 0.00 57.85 56.80 1rez n ARG 101 Cb 0.26 -1.50 -0.04 0.00 -1.02 0.00 0.00 32.46 30.16 1rez n ARG 101 CO 0.00 0.00 0.00 0.34 -1.52 0.00 0.00 177.63 176.45 1rez s ASP 102 N -2.47 6.68 0.36 0.55 2.15 -0.89 -4.96 116.67 118.09 1rez s ASP 102 Ca 0.29 1.45 0.18 0.00 0.43 0.00 0.00 52.55 54.90 1rez s ASP 102 Cb 0.19 -2.45 1.26 0.00 -0.30 0.00 0.00 42.92 41.62 1rez s ASP 102 CO 0.40 -0.45 1.56 -0.81 -0.17 0.00 0.00 175.17 175.71 1rez n PRO 103 N -1.17 -0.06 0.27 4.34 -0.04 -1.26 -0.60 135.00 136.47 1rez n PRO 103 Ca 0.05 1.38 0.16 0.00 -0.04 0.00 0.00 63.50 65.05 1rez n PRO 103 Cb 0.54 -2.44 0.59 0.00 -0.04 0.00 0.00 33.50 32.15 1rez n PRO 103 CO 0.00 0.00 0.00 0.37 -0.04 0.00 0.00 175.50 175.83 1rez h GLN 104 N 0.00 0.00 0.00 0.54 4.15 -1.90 -3.49 115.11 114.41 1rez h GLN 104 Ca 0.81 0.00 0.00 0.00 0.77 0.00 0.00 58.65 60.23 1rez h GLN 104 Cb 2.10 0.00 0.00 0.00 0.21 0.00 0.00 27.48 29.79 1rez h GLN 104 CO -0.78 0.02 0.00 0.41 -1.93 0.00 0.00 178.83 176.55 1rez n GLY 105 N 0.20 2.24 0.00 2.39 0.00 0.23 -2.36 105.19 107.89 1rez n GLY 105 Ca 0.01 -0.50 0.06 0.00 0.00 0.00 0.00 46.02 45.59 1rez n GLY 105 CO 0.00 0.00 0.00 4.51 0.00 0.00 0.00 173.32 177.83 1rez n ILE 106 N 0.00 0.96 0.82 -0.61 3.06 -1.26 -2.38 119.36 119.95 1rez n ILE 106 Ca 0.00 0.24 0.08 0.00 -2.50 0.00 0.00 62.75 60.57 1rez n ILE 106 Cb 0.00 -1.03 0.42 0.00 0.54 0.00 0.00 39.64 39.56 1rez n ILE 106 CO 0.00 0.00 0.00 0.54 -2.50 0.00 0.00 176.55 174.59 1rez n ARG 107 N -1.41 0.33 0.21 9.51 3.00 -1.00 -2.02 116.66 125.28 1rez n ARG 107 Ca 0.04 0.08 0.15 0.00 -0.01 0.00 0.00 57.85 58.11 1rez n ARG 107 Cb 0.12 -1.50 0.52 0.00 0.00 0.00 0.00 32.46 31.61 1rez n ARG 107 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1rez h ALA 108 N 2.82 1.00 -2.42 7.54 0.00 -1.68 -3.40 119.26 123.12 1rez h ALA 108 Ca 0.00 0.00 -0.73 0.00 0.00 0.00 0.00 54.91 54.18 1rez h ALA 108 Cb 0.08 0.00 -0.23 0.00 0.00 0.00 0.00 17.79 17.64 1rez h ALA 108 CO 0.00 0.00 -0.37 -1.58 0.00 0.00 0.00 179.25 177.30 1rez s TRP 109 N -3.44 3.26 0.26 0.00 0.51 -0.86 -4.96 118.94 113.71 1rez s TRP 109 Ca 0.04 -1.00 -0.02 0.00 -2.12 0.00 0.00 56.10 53.00 1rez s TRP 109 Cb 0.09 -3.06 0.53 0.00 -0.81 0.00 0.00 33.47 30.22 1rez s TRP 109 CO 0.53 -0.78 1.73 0.28 -0.51 0.00 0.00 176.95 178.20 1rez h VAL 110 N 5.81 0.63 0.00 4.03 2.07 -1.87 -0.89 116.25 126.02 1rez h VAL 110 Ca -0.27 -0.16 -0.06 0.00 0.82 0.00 0.00 66.70 67.02 1rez h VAL 110 Cb 1.11 0.12 -0.01 0.00 -1.52 0.00 0.00 31.29 30.98 1rez h VAL 110 CO 0.84 0.09 -0.30 0.00 0.02 0.00 0.00 177.57 178.21 1rez h ALA 111 N 1.58 1.42 -0.36 1.67 0.00 -1.92 -2.08 119.26 119.57 1rez h ALA 111 Ca 0.46 -0.27 -0.07 0.00 0.00 0.00 0.00 54.91 55.02 1rez h ALA 111 Cb 0.72 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.45 1rez h ALA 111 CO -0.42 0.37 -0.06 2.35 0.00 0.00 0.00 179.25 181.49 1rez h TRP 112 N 0.00 0.75 0.02 0.00 7.01 -1.50 0.31 115.95 122.53 1rez h TRP 112 Ca -0.00 -0.15 0.00 0.00 2.11 0.00 0.00 58.89 60.85 1rez h TRP 112 Cb 0.56 -0.19 -0.00 0.00 -2.10 0.00 0.00 29.16 27.43 1rez h TRP 112 CO 0.00 0.81 -0.03 0.00 -2.79 0.00 0.00 178.44 176.43 1rez h ARG 113 N 0.47 -0.05 -0.31 2.65 3.08 -1.24 0.25 114.38 119.21 1rez h ARG 113 Ca 0.09 0.00 -0.17 0.00 0.07 0.00 0.00 59.98 59.98 1rez h ARG 113 Cb 0.55 0.01 -0.00 0.00 0.08 0.00 0.00 29.97 30.61 1rez h ARG 113 CO 0.03 -0.04 -0.46 -0.91 -1.07 0.00 0.00 179.97 177.52 1rez h ASN 114 N -0.06 0.91 -0.00 7.04 2.35 -1.33 -3.37 115.58 121.12 1rez h ASN 114 Ca 0.01 -0.45 0.00 0.00 -0.55 0.00 0.00 56.30 55.31 1rez h ASN 114 Cb 0.06 -0.26 0.00 0.00 0.05 0.00 0.00 38.32 38.17 1rez h ASN 114 CO -0.02 1.23 -0.14 0.54 -1.65 0.00 0.00 177.43 177.39 1rez n ARG 115 N -4.02 4.60 0.00 0.81 1.74 0.09 -4.89 116.66 115.00 1rez n ARG 115 Ca -0.03 -0.14 0.00 0.00 -0.77 0.00 0.00 57.85 56.91 1rez n ARG 115 Cb 0.58 -0.75 0.00 0.00 -1.02 0.00 0.00 32.46 31.27 1rez n ARG 115 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1rez n GLN 117 N -2.18 1.90 -4.15 0.00 7.27 0.58 -2.90 117.38 117.90 1rez n GLN 117 Ca 0.00 0.68 -0.32 0.00 0.07 0.00 0.00 57.00 57.43 1rez n GLN 117 Cb 0.44 -2.40 -0.04 0.00 2.41 0.00 0.00 30.24 30.65 1rez n GLN 117 CO 0.00 0.00 0.00 0.09 0.07 0.00 0.00 177.06 177.22 1rez n ASN 118 N 0.09 -1.59 -3.84 1.69 3.02 -1.26 -4.94 115.26 108.43 1rez n ASN 118 Ca 0.07 -1.06 -0.11 0.00 -0.03 0.00 0.00 54.58 53.45 1rez n ASN 118 Cb 0.40 -2.66 -0.09 0.00 -0.61 0.00 0.00 39.78 36.82 1rez n ASN 118 CO 0.00 0.00 0.00 -0.60 -2.62 0.00 0.00 177.26 174.04 1rez s ARG 119 N -6.87 0.64 -0.06 3.52 3.52 -1.14 -5.12 118.95 113.43 1rez s ARG 119 Ca 0.38 -0.52 -0.30 0.00 -0.13 0.00 0.00 55.73 55.16 1rez s ARG 119 Cb -0.21 0.27 -0.03 0.00 -1.56 0.00 0.00 34.95 33.42 1rez s ARG 119 CO 0.93 -0.18 1.12 0.34 -0.81 0.00 0.00 175.30 176.71 1rez s ASP 120 N -1.82 7.13 0.00 -2.12 2.15 -1.26 -4.89 116.67 115.87 1rez s ASP 120 Ca -0.09 1.73 0.00 0.00 0.43 0.00 0.00 52.55 54.62 1rez s ASP 120 Cb -0.03 -2.56 0.00 0.00 -0.30 0.00 0.00 42.92 40.03 1rez s ASP 120 CO -0.01 -0.51 0.61 1.33 -0.17 0.00 0.00 175.17 176.41 1rez n VAL 121 N 4.51 0.22 0.28 1.11 0.24 -1.26 -4.75 118.33 118.67 1rez n VAL 121 Ca 0.10 -0.60 0.16 0.00 -2.04 0.00 0.00 64.34 61.96 1rez n VAL 121 Cb 0.47 0.90 0.79 0.00 -1.47 0.00 0.00 33.84 34.53 1rez n VAL 121 CO 0.00 0.00 0.00 0.03 -2.14 0.00 0.00 176.83 174.72 1rez h ARG 122 N 0.00 0.00 -0.31 7.34 2.47 -1.90 -0.83 114.38 121.15 1rez h ARG 122 Ca 0.00 0.00 -0.03 0.00 -1.26 0.00 0.00 59.98 58.69 1rez h ARG 122 Cb 0.12 0.00 -0.02 0.00 -1.65 0.00 0.00 29.97 28.42 1rez h ARG 122 CO 0.00 0.00 0.04 -0.56 0.56 0.00 0.00 179.97 180.01 1rez h GLN 123 N 0.00 0.46 0.00 0.04 3.07 -1.96 -2.86 115.11 113.86 1rez h GLN 123 Ca 0.05 -0.08 -0.00 0.00 0.09 0.00 0.00 58.65 58.71 1rez h GLN 123 Cb 0.79 -0.08 -0.00 0.00 0.08 0.00 0.00 27.48 28.27 1rez h GLN 123 CO -0.00 0.45 -0.02 1.88 0.09 0.00 0.00 178.83 181.24 1rez h TYR 124 N 0.45 0.00 -0.33 0.06 -1.99 -1.47 -2.84 116.97 110.85 1rez h TYR 124 Ca 0.10 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.83 1rez h TYR 124 Cb 0.23 0.00 0.00 0.00 2.00 0.00 0.00 36.73 38.96 1rez h TYR 124 CO 0.01 0.02 0.00 1.33 -0.00 0.00 0.00 178.16 179.51 1rez n VAL 125 N -4.32 0.86 -2.17 -2.88 0.24 -1.09 -4.84 118.33 104.13 1rez n VAL 125 Ca -0.03 -0.93 -0.42 0.00 -2.04 0.00 0.00 64.34 60.92 1rez n VAL 125 Cb 0.10 0.61 -0.03 0.00 -1.47 0.00 0.00 33.84 33.05 1rez n VAL 125 CO 0.00 0.00 0.00 -1.58 -2.14 0.00 0.00 176.83 173.11 1rez s GLN 126 N -1.00 4.24 0.00 7.34 2.00 -1.07 -2.79 119.66 128.38 1rez s GLN 126 Ca 0.24 2.02 0.00 0.00 -2.00 0.00 0.00 55.36 55.62 1rez s GLN 126 Cb 0.13 -3.69 0.00 0.00 0.80 0.00 0.00 33.01 30.25 1rez s GLN 126 CO 0.17 -0.67 0.00 0.41 -0.50 0.00 0.00 175.29 174.70 1rez n GLY 127 N 3.79 0.72 0.10 2.59 0.00 -1.26 -4.94 105.19 106.20 1rez n GLY 127 Ca 0.14 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.28 1rez n GLY 127 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1rez n GLY 129 N 1.22 0.61 0.00 0.00 0.00 -1.26 -4.88 105.19 100.88 1rez n GLY 129 Ca 0.01 -0.62 0.00 0.00 0.00 0.00 0.00 46.02 45.41 1rez n GLY 129 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65