#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3a95 s VAL 2 N 0.00 5.24 0.45 3.15 1.01 -1.26 -0.98 120.40 128.02 3a95 s VAL 2 Ca 0.00 -0.71 -0.22 0.00 0.00 0.00 0.00 61.98 61.05 3a95 s VAL 2 Cb 0.00 -3.97 -0.08 0.00 0.00 0.00 0.00 36.38 32.33 3a95 s VAL 2 CO 0.00 -0.37 1.10 -0.36 0.00 0.00 0.00 175.10 175.48 3a95 s PHE 3 N 1.71 3.00 0.64 5.22 0.40 -0.04 -4.99 117.98 123.92 3a95 s PHE 3 Ca 0.05 1.58 -0.14 0.00 -0.60 0.00 0.00 56.93 57.82 3a95 s PHE 3 Cb -0.20 -3.23 -0.01 0.00 0.51 0.00 0.00 43.02 40.09 3a95 s PHE 3 CO 0.10 -1.11 1.08 0.20 0.70 0.00 0.00 175.22 176.18 3a95 s GLY 4 N -1.57 2.02 0.11 4.36 0.00 -1.26 -4.83 107.32 106.15 3a95 s GLY 4 Ca 0.63 0.38 -0.30 0.00 0.00 0.00 0.00 44.72 45.44 3a95 s GLY 4 CO 0.29 0.71 1.61 -0.09 0.00 0.00 0.00 173.10 175.62 3a95 h ARG 5 N 0.00 -0.59 -0.02 2.90 2.43 -1.96 -0.33 114.38 116.81 3a95 h ARG 5 Ca -0.46 0.04 -0.10 0.00 -0.81 0.00 0.00 59.98 58.65 3a95 h ARG 5 Cb 1.23 0.13 -0.01 0.00 -0.42 0.00 0.00 29.97 30.90 3a95 h ARG 5 CO 0.56 -0.39 -0.44 0.00 -1.51 0.00 0.00 179.97 178.18 3a95 h GLU 7 N 0.03 0.67 -0.37 0.00 4.81 -1.89 -0.08 114.58 117.75 3a95 h GLU 7 Ca -0.00 -0.09 -0.12 0.00 -0.13 0.00 0.00 59.36 59.02 3a95 h GLU 7 Cb 0.80 -0.12 -0.01 0.00 0.63 0.00 0.00 28.75 30.04 3a95 h GLU 7 CO 0.06 0.56 -0.23 1.25 -0.73 0.00 0.00 179.01 179.92 3a95 h LEU 8 N 0.62 0.84 -0.57 1.64 5.85 -0.69 -1.79 115.31 121.21 3a95 h LEU 8 Ca 0.16 -0.43 0.08 0.00 0.84 0.00 0.00 57.88 58.54 3a95 h LEU 8 Cb 0.10 -0.23 -0.07 0.00 0.37 0.00 0.00 40.66 40.83 3a95 h LEU 8 CO -0.02 1.08 0.22 0.00 -0.34 0.00 0.00 178.44 179.37 3a95 h ALA 9 N 0.78 0.72 -0.73 1.25 0.00 -0.94 0.14 119.26 120.48 3a95 h ALA 9 Ca 0.08 0.07 -0.02 0.00 0.00 0.00 0.00 54.91 55.04 3a95 h ALA 9 Cb 0.79 0.04 -0.03 0.00 0.00 0.00 0.00 17.79 18.59 3a95 h ALA 9 CO 0.06 -0.19 0.37 0.00 0.00 0.00 0.00 179.25 179.50 3a95 h ALA 10 N 1.38 0.93 -0.38 0.00 0.00 -0.85 -0.35 119.26 120.00 3a95 h ALA 10 Ca 0.28 -0.13 -0.15 0.00 0.00 0.00 0.00 54.91 54.91 3a95 h ALA 10 Cb 0.32 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.81 3a95 h ALA 10 CO -0.28 0.47 -0.34 0.00 0.00 0.00 0.00 179.25 179.11 3a95 h ALA 11 N 1.19 0.55 -0.74 0.00 0.00 -0.70 -1.36 119.26 118.19 3a95 h ALA 11 Ca 0.25 -0.43 -0.03 0.00 0.00 0.00 0.00 54.91 54.70 3a95 h ALA 11 Cb 0.08 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 17.71 3a95 h ALA 11 CO -0.04 0.62 0.35 0.52 0.00 0.00 0.00 179.25 180.71 3a95 h MET 12 N 0.71 1.07 -0.32 0.00 2.86 -0.57 -2.21 114.93 116.48 3a95 h MET 12 Ca 0.07 -0.16 -0.01 0.00 -2.06 0.00 0.00 59.70 57.53 3a95 h MET 12 Cb 0.93 -0.19 -0.01 0.00 0.06 0.00 0.00 31.60 32.38 3a95 h MET 12 CO 0.09 0.84 0.15 -0.22 1.06 0.00 0.00 176.91 178.83 3a95 h LYS 13 N 1.05 0.46 -0.38 1.72 3.64 -0.95 -1.87 116.57 120.24 3a95 h LYS 13 Ca 0.25 -0.07 0.03 0.00 -1.27 0.00 0.00 60.65 59.59 3a95 h LYS 13 Cb 0.13 -0.08 -0.02 0.00 -0.41 0.00 0.00 32.23 31.85 3a95 h LYS 13 CO -0.03 0.44 0.25 -0.09 -2.27 0.00 0.00 179.45 177.75 3a95 h ARG 14 N 0.37 0.40 -0.27 1.90 2.43 -1.07 -1.63 114.38 116.52 3a95 h ARG 14 Ca 0.11 -0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.25 3a95 h ARG 14 Cb 0.14 -0.09 0.00 0.00 -0.42 0.00 0.00 29.97 29.59 3a95 h ARG 14 CO -0.01 0.27 0.00 0.72 -1.51 0.00 0.00 179.97 179.43 3a95 n HIS 15 N -4.48 0.36 -0.49 2.20 8.25 -0.85 -4.94 115.22 115.27 3a95 n HIS 15 Ca 0.04 -0.18 0.00 0.00 -0.26 0.00 0.00 57.72 57.32 3a95 n HIS 15 Cb 0.14 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.25 3a95 n HIS 15 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3a95 n GLY 16 N 1.15 0.73 0.21 -1.41 0.00 -0.61 -4.97 105.19 100.28 3a95 n GLY 16 Ca 0.15 -0.27 0.10 0.00 0.00 0.00 0.00 46.02 46.00 3a95 n GLY 16 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 3a95 h LEU 17 N 0.00 0.00 -9.01 0.99 3.38 -1.55 -3.39 115.31 105.73 3a95 h LEU 17 Ca 0.00 0.00 -0.57 0.00 0.09 0.00 0.00 57.88 57.40 3a95 h LEU 17 Cb 0.00 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.73 3a95 h LEU 17 CO 0.00 0.10 1.27 -0.62 0.09 0.00 0.00 178.44 179.29 3a95 s ASP 18 N -6.24 6.02 -0.46 -0.43 2.15 -1.26 -1.40 116.67 115.05 3a95 s ASP 18 Ca 0.06 1.72 0.00 0.00 0.43 0.00 0.00 52.55 54.76 3a95 s ASP 18 Cb 0.06 -2.52 0.00 0.00 -0.30 0.00 0.00 42.92 40.15 3a95 s ASP 18 CO 0.68 -1.54 0.00 0.59 -0.17 0.00 0.00 175.17 174.73 3a95 n ASN 19 N 9.67 -4.19 -4.71 -0.34 5.03 -0.10 -4.89 115.26 115.73 3a95 n ASN 19 Ca 0.23 0.11 -0.42 0.00 0.87 0.00 0.00 54.58 55.36 3a95 n ASN 19 Cb 0.45 -2.07 -0.03 0.00 -1.02 0.00 0.00 39.78 37.11 3a95 n ASN 19 CO 0.00 0.00 0.00 -0.47 -1.83 0.00 0.00 177.26 174.96 3a95 s TYR 20 N -1.93 2.81 -0.86 3.10 5.04 -0.49 -1.20 117.35 123.82 3a95 s TYR 20 Ca 0.00 0.49 -0.03 0.00 -2.44 0.00 0.00 57.07 55.09 3a95 s TYR 20 Cb 0.00 -3.96 0.03 0.00 0.35 0.00 0.00 41.96 38.38 3a95 s TYR 20 CO 0.00 -3.67 0.14 0.54 -1.34 0.00 0.00 175.55 171.22 3a95 n ARG 21 N 4.56 -2.67 -0.87 4.97 5.12 -1.26 -1.47 116.66 125.03 3a95 n ARG 21 Ca 0.15 0.39 0.00 0.00 -1.93 0.00 0.00 57.85 56.46 3a95 n ARG 21 Cb 0.39 -4.99 0.00 0.00 -1.16 0.00 0.00 32.46 26.70 3a95 n ARG 21 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 3a95 n GLY 22 N -0.82 0.65 3.51 -0.13 0.00 -0.34 -5.03 105.19 103.03 3a95 n GLY 22 Ca -0.07 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.54 3a95 n GLY 22 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3a95 s TYR 23 N -2.42 3.22 0.84 1.61 2.02 -0.54 -4.87 117.35 117.20 3a95 s TYR 23 Ca 0.00 -0.28 -0.12 0.00 -0.37 0.00 0.00 57.07 56.29 3a95 s TYR 23 Cb 0.00 -2.59 0.10 0.00 -0.40 0.00 0.00 41.96 39.07 3a95 s TYR 23 CO 0.00 -0.47 1.19 -1.54 -1.57 0.00 0.00 175.55 173.16 3a95 s SER 24 N 1.72 3.39 0.29 2.29 1.04 -1.26 -0.93 113.70 120.24 3a95 s SER 24 Ca 0.08 2.33 0.03 0.00 0.48 0.00 0.00 55.95 58.87 3a95 s SER 24 Cb -0.18 -2.58 0.62 0.00 0.10 0.00 0.00 66.02 63.98 3a95 s SER 24 CO 0.11 -2.80 1.82 0.25 0.98 0.00 0.00 173.24 173.60 3a95 h LEU 25 N -1.17 0.88 -1.68 2.42 5.85 -1.90 -0.89 115.31 118.82 3a95 h LEU 25 Ca -0.45 0.06 0.14 0.00 0.84 0.00 0.00 57.88 58.47 3a95 h LEU 25 Cb 1.29 -0.11 -0.04 0.00 0.37 0.00 0.00 40.66 42.17 3a95 h LEU 25 CO 0.45 0.42 0.46 1.23 -0.34 0.00 0.00 178.44 180.66 3a95 h GLY 26 N 0.92 0.53 0.99 3.75 0.00 -1.91 -1.00 103.07 106.36 3a95 h GLY 26 Ca 0.52 -0.14 -0.02 0.00 0.00 0.00 0.00 47.33 47.70 3a95 h GLY 26 CO -0.30 0.06 0.30 3.43 0.00 0.00 0.00 176.54 180.03 3a95 h ASN 27 N 0.33 0.77 -0.31 0.19 2.35 -1.38 -0.69 115.58 116.84 3a95 h ASN 27 Ca 0.33 -0.12 -0.17 0.00 -0.55 0.00 0.00 56.30 55.79 3a95 h ASN 27 Cb 0.83 -0.20 -0.00 0.00 0.05 0.00 0.00 38.32 39.00 3a95 h ASN 27 CO -0.09 0.67 -0.45 -0.50 -1.65 0.00 0.00 177.43 175.41 3a95 h TRP 28 N 0.82 1.08 -0.31 1.19 4.06 -1.29 -1.18 115.95 120.31 3a95 h TRP 28 Ca 0.21 -0.35 -0.10 0.00 2.06 0.00 0.00 58.89 60.71 3a95 h TRP 28 Cb 0.09 -0.22 -0.01 0.00 -1.00 0.00 0.00 29.16 28.03 3a95 h TRP 28 CO -0.00 1.16 -0.21 0.28 -3.56 0.00 0.00 178.44 176.12 3a95 h VAL 29 N 0.70 1.29 -0.61 1.49 2.07 -1.19 -1.34 116.25 118.67 3a95 h VAL 29 Ca 0.04 -1.34 0.01 0.00 0.82 0.00 0.00 66.70 66.23 3a95 h VAL 29 Cb 1.04 1.48 -0.03 0.00 -1.52 0.00 0.00 31.29 32.26 3a95 h VAL 29 CO 0.10 0.43 0.40 0.00 0.02 0.00 0.00 177.57 178.52 3a95 h ALA 31 N 1.23 0.57 -0.55 0.00 0.00 -1.04 -2.20 119.26 117.27 3a95 h ALA 31 Ca 0.23 -0.05 -0.07 0.00 0.00 0.00 0.00 54.91 55.03 3a95 h ALA 31 Cb -0.07 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.52 3a95 h ALA 31 CO -0.06 0.04 0.08 0.00 0.00 0.00 0.00 179.25 179.30 3a95 h ALA 32 N 1.14 1.10 -0.04 0.00 0.00 -0.81 0.33 119.26 120.98 3a95 h ALA 32 Ca 0.16 -0.24 0.02 0.00 0.00 0.00 0.00 54.91 54.85 3a95 h ALA 32 Cb -0.04 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.52 3a95 h ALA 32 CO -0.03 0.58 -0.06 -0.22 0.00 0.00 0.00 179.25 179.52 3a95 h LYS 33 N 0.83 -0.08 0.00 0.00 1.63 -0.51 -1.04 116.57 117.40 3a95 h LYS 33 Ca 0.17 0.01 -0.02 0.00 -0.85 0.00 0.00 60.65 59.96 3a95 h LYS 33 Cb 0.39 0.02 -0.00 0.00 -0.60 0.00 0.00 32.23 32.03 3a95 h LYS 33 CO 0.01 -0.06 -0.41 0.74 -3.45 0.00 0.00 179.45 176.28 3a95 h PHE 34 N -0.09 0.00 0.00 1.91 0.04 -1.22 0.29 116.94 117.88 3a95 h PHE 34 Ca 0.04 0.00 -0.11 0.00 2.80 0.00 0.00 57.97 60.70 3a95 h PHE 34 Cb 0.14 0.00 0.01 0.00 2.20 0.00 0.00 35.95 38.30 3a95 h PHE 34 CO -0.15 0.09 -0.42 0.93 -0.60 0.00 0.00 178.31 178.16 3a95 h GLU 35 N 0.00 0.29 0.00 1.51 4.39 -0.83 -3.42 114.58 116.51 3a95 h GLU 35 Ca -0.01 -0.31 0.00 0.00 0.34 0.00 0.00 59.36 59.38 3a95 h GLU 35 Cb 1.08 0.09 0.00 0.00 -0.10 0.00 0.00 28.75 29.82 3a95 h GLU 35 CO 0.01 1.01 0.00 -1.13 -1.16 0.00 0.00 179.01 177.74 3a95 n SER 36 N -4.36 0.21 -2.95 1.42 3.41 -0.42 -4.85 113.62 106.07 3a95 n SER 36 Ca -0.10 -0.72 -0.20 0.00 -0.26 0.00 0.00 58.87 57.59 3a95 n SER 36 Cb 0.59 0.10 0.01 0.00 -0.26 0.00 0.00 64.21 64.65 3a95 n SER 36 CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68 3a95 n ASN 37 N -0.10 -4.83 -0.61 4.04 5.15 0.09 -1.89 115.26 117.12 3a95 n ASN 37 Ca 0.00 -0.19 -0.08 0.00 -0.60 0.00 0.00 54.58 53.71 3a95 n ASN 37 Cb 0.11 -3.98 -0.03 0.00 -0.53 0.00 0.00 39.78 35.36 3a95 n ASN 37 CO 0.00 0.00 0.00 0.49 1.40 0.00 0.00 177.26 179.15 3a95 n PHE 38 N -4.03 0.00 -3.46 1.20 3.72 -1.20 -4.83 117.46 108.86 3a95 n PHE 38 Ca -0.10 0.00 -0.42 0.00 -0.05 0.00 0.00 57.45 56.88 3a95 n PHE 38 Cb 0.60 -1.73 -0.10 0.00 -0.94 0.00 0.00 39.48 37.31 3a95 n PHE 38 CO 0.00 0.00 0.00 1.21 -0.05 0.00 0.00 176.76 177.92 3a95 s ASN 39 N -2.70 6.12 0.58 4.37 3.84 -0.79 -0.86 114.94 125.49 3a95 s ASN 39 Ca 0.00 -0.57 0.33 0.00 0.21 0.00 0.00 52.86 52.83 3a95 s ASN 39 Cb 0.00 -2.17 1.77 0.00 -0.55 0.00 0.00 41.25 40.30 3a95 s ASN 39 CO 0.00 -0.37 2.17 0.71 -2.79 0.00 0.00 177.10 176.83 3a95 h THR 40 N 5.57 0.33 -0.14 -5.21 1.35 -1.37 -2.51 112.91 110.94 3a95 h THR 40 Ca -0.29 -0.30 0.00 0.00 -0.55 0.00 0.00 66.41 65.27 3a95 h THR 40 Cb 1.14 1.22 0.00 0.00 -1.73 0.00 0.00 68.15 68.77 3a95 h THR 40 CO 0.70 0.05 0.00 0.00 -0.25 0.00 0.00 175.52 176.02 3a95 n GLN 41 N -3.45 1.66 -1.85 4.72 6.02 -1.26 -4.07 117.38 119.15 3a95 n GLN 41 Ca -0.02 -0.99 -0.42 0.00 -0.01 0.00 0.00 57.00 55.56 3a95 n GLN 41 Cb 0.18 -1.39 -0.02 0.00 1.02 0.00 0.00 30.24 30.02 3a95 n GLN 41 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 3a95 s ALA 42 N -1.83 3.78 0.04 -1.58 0.00 -0.94 -4.81 121.76 116.42 3a95 s ALA 42 Ca 0.33 1.48 0.03 0.00 0.00 0.00 0.00 51.96 53.79 3a95 s ALA 42 Cb 0.17 -3.64 -0.02 0.00 0.00 0.00 0.00 23.12 19.64 3a95 s ALA 42 CO 0.27 -0.87 -0.09 0.95 0.00 0.00 0.00 175.76 176.01 3a95 s THR 43 N 0.57 0.70 -0.13 0.00 -4.23 -1.26 -0.43 115.64 110.86 3a95 s THR 43 Ca 0.67 -0.96 -0.06 0.00 -1.18 0.00 0.00 61.69 60.15 3a95 s THR 43 Cb -0.46 -0.70 0.05 0.00 1.34 0.00 0.00 72.50 72.73 3a95 s THR 43 CO 0.39 -0.21 0.30 0.20 -0.54 0.00 0.00 174.62 174.75 3a95 s ASN 44 N -1.30 -0.31 0.11 3.99 0.01 -0.67 -4.98 114.94 111.80 3a95 s ASN 44 Ca -0.05 0.65 -0.30 0.00 -0.71 0.00 0.00 52.86 52.45 3a95 s ASN 44 Cb -0.08 0.55 -0.06 0.00 0.41 0.00 0.00 41.25 42.07 3a95 s ASN 44 CO 0.01 -0.18 0.98 -0.60 -1.51 0.00 0.00 177.10 175.80 3a95 s ARG 45 N 1.39 4.68 0.39 -0.60 6.06 -1.26 -0.44 118.95 129.16 3a95 s ARG 45 Ca -0.09 1.49 -0.01 0.00 -2.50 0.00 0.00 55.73 54.62 3a95 s ARG 45 Cb -0.10 -3.37 -0.03 0.00 0.06 0.00 0.00 34.95 31.51 3a95 s ARG 45 CO -0.10 0.18 0.62 -0.80 -2.50 0.00 0.00 175.30 172.71 3a95 s ASN 46 N 0.04 6.26 0.38 -2.12 0.01 0.44 -4.95 114.94 115.00 3a95 s ASN 46 Ca 0.48 0.58 0.08 0.00 -0.71 0.00 0.00 52.86 53.29 3a95 s ASN 46 Cb -0.24 -2.07 0.82 0.00 0.41 0.00 0.00 41.25 40.16 3a95 s ASN 46 CO 0.30 -0.40 1.97 0.71 -1.51 0.00 0.00 177.10 178.18 3a95 h THR 47 N 0.58 1.00 0.00 1.60 1.35 -1.97 -1.56 112.91 113.91 3a95 h THR 47 Ca -0.49 -0.23 0.00 0.00 -0.55 0.00 0.00 66.41 65.15 3a95 h THR 47 Cb 1.22 0.28 0.00 0.00 -1.73 0.00 0.00 68.15 67.92 3a95 h THR 47 CO 0.61 0.12 0.00 -0.90 -0.25 0.00 0.00 175.52 175.10 3a95 n ASP 48 N -4.48 0.00 0.00 5.36 5.75 -1.26 -4.87 116.55 117.05 3a95 n ASP 48 Ca 0.10 -0.94 0.00 0.00 -0.01 0.00 0.00 54.79 53.94 3a95 n ASP 48 Cb 0.25 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.34 3a95 n ASP 48 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3a95 n GLY 49 N 0.79 0.58 3.77 6.12 0.00 -0.58 -5.01 105.19 110.85 3a95 n GLY 49 Ca 0.21 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.94 3a95 n GLY 49 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3a95 s SER 50 N -2.43 3.39 0.02 1.61 1.04 -1.26 -4.75 113.70 111.32 3a95 s SER 50 Ca 0.00 1.03 0.03 0.00 0.48 0.00 0.00 55.95 57.48 3a95 s SER 50 Cb 0.00 -1.63 -0.02 0.00 0.10 0.00 0.00 66.02 64.47 3a95 s SER 50 CO 0.00 -2.63 -0.08 -0.89 0.98 0.00 0.00 173.24 170.62 3a95 s THR 51 N -3.21 0.61 -0.14 2.02 2.01 -1.26 -0.42 115.64 115.25 3a95 s THR 51 Ca 0.64 -0.74 -0.07 0.00 0.31 0.00 0.00 61.69 61.83 3a95 s THR 51 Cb -0.15 -0.59 -0.04 0.00 0.01 0.00 0.00 72.50 71.72 3a95 s THR 51 CO 0.54 -0.11 0.12 -1.81 -0.69 0.00 0.00 174.62 172.67 3a95 s ASP 52 N -0.94 6.23 -0.07 3.53 1.01 0.41 -0.91 116.67 125.94 3a95 s ASP 52 Ca -0.03 0.38 0.03 0.00 0.71 0.00 0.00 52.55 53.64 3a95 s ASP 52 Cb -0.07 -2.03 0.01 0.00 1.01 0.00 0.00 42.92 41.84 3a95 s ASP 52 CO 0.00 0.35 -0.16 -0.31 0.21 0.00 0.00 175.17 175.26 3a95 s TYR 53 N -0.66 1.74 0.00 4.23 1.51 0.20 -1.66 117.35 122.71 3a95 s TYR 53 Ca 0.13 -0.62 0.00 0.00 -1.01 0.00 0.00 57.07 55.57 3a95 s TYR 53 Cb -0.12 -1.21 0.00 0.00 -0.11 0.00 0.00 41.96 40.52 3a95 s TYR 53 CO 0.02 -0.27 0.00 0.41 -1.11 0.00 0.00 175.55 174.60 3a95 n GLY 54 N 3.57 -1.88 0.28 0.71 0.00 0.42 -1.52 105.19 106.78 3a95 n GLY 54 Ca -0.21 -1.73 0.12 0.00 0.00 0.00 0.00 46.02 44.20 3a95 n GLY 54 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 3a95 h ILE 55 N 0.00 0.72 -0.12 -0.61 2.10 -1.71 -1.53 117.51 116.36 3a95 h ILE 55 Ca 0.00 -0.12 0.00 0.00 1.08 0.00 0.00 64.86 65.82 3a95 h ILE 55 Cb 0.00 1.07 0.00 0.00 -1.09 0.00 0.00 36.82 36.80 3a95 h ILE 55 CO 0.00 0.03 0.00 0.18 -1.08 0.00 0.00 178.15 177.28 3a95 n LEU 56 N -4.07 2.64 -3.76 2.19 4.77 -1.26 -4.09 117.00 113.43 3a95 n LEU 56 Ca -0.03 -2.50 -0.26 0.00 -0.03 0.00 0.00 56.01 53.19 3a95 n LEU 56 Cb 0.12 -0.27 0.02 0.00 -2.33 0.00 0.00 43.42 40.96 3a95 n LEU 56 CO 0.30 0.64 -0.12 0.00 -1.33 0.00 0.00 177.39 176.88 3a95 n GLN 57 N -0.56 -2.91 -2.62 3.23 1.13 -0.58 -4.89 117.38 110.18 3a95 n GLN 57 Ca 0.11 0.50 -0.42 0.00 -1.94 0.00 0.00 57.00 55.25 3a95 n GLN 57 Cb 0.52 -4.60 -0.04 0.00 0.11 0.00 0.00 30.24 26.23 3a95 n GLN 57 CO 0.00 0.00 0.00 0.42 -1.44 0.00 0.00 177.06 176.04 3a95 s ILE 58 N -3.68 4.39 -0.10 5.09 1.01 -0.58 -4.36 121.20 122.98 3a95 s ILE 58 Ca 0.20 1.86 -0.21 0.00 0.00 0.00 0.00 60.65 62.49 3a95 s ILE 58 Cb -0.07 -4.19 -0.04 0.00 0.01 0.00 0.00 42.46 38.18 3a95 s ILE 58 CO 0.85 0.22 0.62 0.21 0.00 0.00 0.00 174.94 176.84 3a95 s ASN 59 N 0.49 6.84 0.21 3.58 3.04 -1.26 -0.63 114.94 127.22 3a95 s ASN 59 Ca 0.51 1.01 0.18 0.00 0.04 0.00 0.00 52.86 54.60 3a95 s ASN 59 Cb -0.25 -2.36 0.85 0.00 -1.54 0.00 0.00 41.25 37.95 3a95 s ASN 59 CO 0.30 -0.11 1.54 -1.54 -3.04 0.00 0.00 177.10 174.25 3a95 n SER 60 N 3.96 0.43 -0.09 -4.21 3.41 -0.09 -1.71 113.62 115.32 3a95 n SER 60 Ca -0.03 0.66 0.02 0.00 -0.26 0.00 0.00 58.87 59.26 3a95 n SER 60 Cb 0.51 -0.73 0.35 0.00 -0.26 0.00 0.00 64.21 64.08 3a95 n SER 60 CO 0.00 0.00 0.00 0.03 -0.16 0.00 0.00 175.04 174.91 3a95 h ARG 61 N 0.00 0.72 0.00 4.33 3.08 -1.84 -3.38 114.38 117.30 3a95 h ARG 61 Ca 0.00 -0.05 0.00 0.00 0.07 0.00 0.00 59.98 60.00 3a95 h ARG 61 Cb 0.13 -0.16 0.00 0.00 0.08 0.00 0.00 29.97 30.02 3a95 h ARG 61 CO 0.00 0.48 -0.71 0.91 -1.07 0.00 0.00 179.97 179.58 3a95 n TRP 62 N -4.45 0.00 -0.03 3.04 7.02 -1.12 -1.77 117.44 120.13 3a95 n TRP 62 Ca 0.05 0.00 -0.00 0.00 -1.02 0.00 0.00 57.50 56.53 3a95 n TRP 62 Cb 0.05 0.00 -0.08 0.00 -2.42 0.00 0.00 31.31 28.86 3a95 n TRP 62 CO 0.00 0.00 0.00 0.91 -2.02 0.00 0.00 177.69 176.58 3a95 n TRP 63 N -1.68 0.00 -3.91 -5.99 7.02 -0.70 -0.96 117.44 111.21 3a95 n TRP 63 Ca 0.00 0.00 -0.09 0.00 -1.02 0.00 0.00 57.50 56.39 3a95 n TRP 63 Cb 0.36 -0.39 -0.08 0.00 -2.42 0.00 0.00 31.31 28.78 3a95 n TRP 63 CO 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 177.69 175.67 3a95 s ASN 65 N -2.89 6.18 0.00 0.00 3.84 -0.32 -4.56 114.94 117.19 3a95 s ASN 65 Ca 0.07 0.19 0.00 0.00 0.21 0.00 0.00 52.86 53.34 3a95 s ASN 65 Cb 0.05 -2.12 0.00 0.00 -0.55 0.00 0.00 41.25 38.63 3a95 s ASN 65 CO -0.09 0.06 0.82 -0.90 -2.79 0.00 0.00 177.10 174.20 3a95 n ASP 66 N 4.21 1.63 0.00 -4.21 5.68 -1.26 -0.67 116.55 121.93 3a95 n ASP 66 Ca -0.14 -1.64 0.00 0.00 -0.50 0.00 0.00 54.79 52.51 3a95 n ASP 66 Cb 0.52 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.50 3a95 n ASP 66 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3a95 n GLY 67 N -0.32 0.51 1.00 6.12 0.00 -1.26 -4.79 105.19 106.45 3a95 n GLY 67 Ca 0.00 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.06 3a95 n GLY 67 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 3a95 n ARG 68 N -2.00 0.47 -3.81 1.61 1.85 -1.26 -4.93 116.66 108.59 3a95 n ARG 68 Ca 0.00 -2.17 -0.28 0.00 -1.00 0.00 0.00 57.85 54.40 3a95 n ARG 68 Cb 0.00 -0.58 -0.12 0.00 -1.05 0.00 0.00 32.46 30.70 3a95 n ARG 68 CO 0.00 0.00 0.00 0.99 -0.01 0.00 0.00 177.63 178.61 3a95 s THR 69 N -0.98 2.28 0.18 8.89 2.01 -1.26 -4.84 115.64 121.92 3a95 s THR 69 Ca 0.29 -3.65 -0.33 0.00 0.31 0.00 0.00 61.69 58.30 3a95 s THR 69 Cb 0.31 -2.53 -0.15 0.00 0.01 0.00 0.00 72.50 70.14 3a95 s THR 69 CO -0.10 -0.99 1.34 -2.65 -0.69 0.00 0.00 174.62 171.53 3a95 n PRO 70 N 2.50 1.61 -0.83 4.92 -0.02 -1.26 -1.77 135.00 140.15 3a95 n PRO 70 Ca 0.17 0.58 0.00 0.00 -2.02 0.00 0.00 63.50 62.23 3a95 n PRO 70 Cb 0.36 -2.19 0.00 0.00 -0.02 0.00 0.00 33.50 31.65 3a95 n PRO 70 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3a95 n GLY 71 N 2.38 1.25 3.75 -1.23 0.00 -1.26 -5.01 105.19 105.08 3a95 n GLY 71 Ca 0.15 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.88 3a95 n GLY 71 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3a95 s SER 72 N -3.11 3.37 0.52 1.61 1.04 -0.73 -5.08 113.70 111.33 3a95 s SER 72 Ca 0.00 1.10 0.05 0.00 0.48 0.00 0.00 55.95 57.58 3a95 s SER 72 Cb 0.00 -1.72 0.02 0.00 0.10 0.00 0.00 66.02 64.42 3a95 s SER 72 CO 0.00 -2.65 0.35 -0.13 0.98 0.00 0.00 173.24 171.79 3a95 s ARG 73 N -5.16 2.27 -0.39 4.02 1.81 -0.73 -4.99 118.95 115.78 3a95 s ARG 73 Ca 0.64 -1.99 0.10 0.00 -1.72 0.00 0.00 55.73 52.75 3a95 s ARG 73 Cb -0.16 -2.07 0.30 0.00 -0.45 0.00 0.00 34.95 32.58 3a95 s ARG 73 CO 0.55 -0.51 0.64 -1.71 -0.68 0.00 0.00 175.30 173.59 3a95 n ASN 74 N -1.65 0.72 0.26 0.23 5.15 -1.18 -3.71 115.26 115.07 3a95 n ASN 74 Ca -0.03 -2.89 0.13 0.00 -0.60 0.00 0.00 54.58 51.19 3a95 n ASN 74 Cb 0.64 -0.63 0.70 0.00 -0.53 0.00 0.00 39.78 39.96 3a95 n ASN 74 CO 0.00 0.00 0.00 -0.07 1.40 0.00 0.00 177.26 178.59 3a95 h LEU 75 N 3.49 0.00 -0.83 1.20 3.38 -1.06 -1.51 115.31 119.98 3a95 h LEU 75 Ca 0.09 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.06 3a95 h LEU 75 Cb 0.91 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.66 3a95 h LEU 75 CO 0.50 0.13 -0.07 0.00 0.09 0.00 0.00 178.44 179.09 3a95 n ASN 77 N -0.06 -1.25 -3.90 0.00 3.02 -0.57 -4.99 115.26 107.52 3a95 n ASN 77 Ca 0.17 -0.79 -0.11 0.00 -0.03 0.00 0.00 54.58 53.82 3a95 n ASN 77 Cb 0.35 -4.19 -0.10 0.00 -0.61 0.00 0.00 39.78 35.23 3a95 n ASN 77 CO 0.00 0.00 0.00 0.27 -2.62 0.00 0.00 177.26 174.91 3a95 s ILE 78 N -3.63 0.09 0.40 2.41 -4.36 -1.26 -5.07 121.20 109.77 3a95 s ILE 78 Ca 0.00 -0.73 -0.26 0.00 -0.26 0.00 0.00 60.65 59.40 3a95 s ILE 78 Cb -0.00 -0.39 -0.09 0.00 1.25 0.00 0.00 42.46 43.23 3a95 s ILE 78 CO 0.80 -0.40 1.22 -2.16 0.24 0.00 0.00 174.94 174.64 3a95 s PRO 79 N -1.39 4.04 0.53 0.37 0.04 -1.26 -1.18 135.00 136.16 3a95 s PRO 79 Ca -0.15 1.97 0.22 0.00 0.04 0.00 0.00 61.00 63.08 3a95 s PRO 79 Cb -0.08 -2.73 1.39 0.00 0.04 0.00 0.00 34.50 33.12 3a95 s PRO 79 CO 0.01 -0.37 2.09 0.00 0.04 0.00 0.00 177.00 178.76 3a95 h SER 81 N 0.00 0.00 0.16 0.00 4.64 -1.91 -0.92 113.55 115.53 3a95 h SER 81 Ca 0.11 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.42 3a95 h SER 81 Cb 0.46 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.55 3a95 h SER 81 CO -0.00 0.02 -0.03 0.00 -0.87 0.00 0.00 176.83 175.95 3a95 h ALA 82 N 1.98 1.26 -0.00 5.18 0.00 -1.51 -1.48 119.26 124.68 3a95 h ALA 82 Ca -0.00 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.88 3a95 h ALA 82 Cb 0.05 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.84 3a95 h ALA 82 CO 0.00 0.04 -0.03 1.28 0.00 0.00 0.00 179.25 180.54 3a95 n LEU 83 N -3.49 0.26 -0.70 0.00 4.77 -0.35 -3.48 117.00 114.01 3a95 n LEU 83 Ca -0.02 0.04 0.10 0.00 -0.03 0.00 0.00 56.01 56.09 3a95 n LEU 83 Cb 0.13 -0.13 0.06 0.00 -2.33 0.00 0.00 43.42 41.16 3a95 n LEU 83 CO 0.26 0.05 0.50 0.18 -1.33 0.00 0.00 177.39 177.04 3a95 n LEU 84 N -0.96 2.44 -4.73 2.23 4.77 -0.56 -3.98 117.00 116.21 3a95 n LEU 84 Ca 0.18 -0.94 -0.34 0.00 -0.03 0.00 0.00 56.01 54.88 3a95 n LEU 84 Cb 0.21 0.00 0.09 0.00 -2.33 0.00 0.00 43.42 41.39 3a95 n LEU 84 CO 0.21 0.43 0.79 -0.55 -1.33 0.00 0.00 177.39 176.93 3a95 s SER 85 N -1.76 4.35 0.50 -1.43 0.15 -1.23 -4.14 113.70 110.15 3a95 s SER 85 Ca 0.21 2.30 0.20 0.00 0.70 0.00 0.00 55.95 59.36 3a95 s SER 85 Cb 0.16 -2.58 1.29 0.00 -1.71 0.00 0.00 66.02 63.18 3a95 s SER 85 CO 0.30 -2.15 2.08 0.28 1.20 0.00 0.00 173.24 174.95 3a95 h SER 86 N -0.23 0.00 -3.35 5.45 0.02 -1.94 -3.40 113.55 110.10 3a95 h SER 86 Ca -0.47 0.00 -0.60 0.00 -0.84 0.00 0.00 61.79 59.88 3a95 h SER 86 Cb 1.29 0.00 -0.09 0.00 0.14 0.00 0.00 62.40 63.74 3a95 h SER 86 CO 0.50 0.11 0.34 -0.62 -1.14 0.00 0.00 176.83 176.02 3a95 s ASP 87 N -6.66 6.77 0.00 3.07 -1.08 -1.26 -4.96 116.67 112.55 3a95 s ASP 87 Ca -0.04 0.95 0.25 0.00 -0.52 0.00 0.00 52.55 53.19 3a95 s ASP 87 Cb 0.15 -2.40 1.22 0.00 -1.46 0.00 0.00 42.92 40.43 3a95 s ASP 87 CO 0.64 -0.43 1.82 2.30 0.52 0.00 0.00 175.17 180.02 3a95 n ILE 88 N 5.08 0.05 -0.20 4.11 -5.35 -1.26 -4.39 119.36 117.40 3a95 n ILE 88 Ca 0.03 -0.15 -0.03 0.00 -0.27 0.00 0.00 62.75 62.33 3a95 n ILE 88 Cb 0.48 0.01 0.03 0.00 -1.74 0.00 0.00 39.64 38.43 3a95 n ILE 88 CO 0.00 0.00 0.00 0.74 -1.76 0.00 0.00 176.55 175.53 3a95 h THR 89 N 1.13 0.25 -0.67 7.28 2.02 -1.94 -0.09 112.91 120.88 3a95 h THR 89 Ca 0.00 0.00 -0.07 0.00 0.77 0.00 0.00 66.41 67.11 3a95 h THR 89 Cb 0.24 0.25 -0.03 0.00 -1.74 0.00 0.00 68.15 66.87 3a95 h THR 89 CO 0.00 0.00 0.13 0.00 0.37 0.00 0.00 175.52 176.02 3a95 h ALA 90 N 1.25 0.97 -0.53 6.16 0.00 -1.84 -0.24 119.26 125.02 3a95 h ALA 90 Ca 0.26 -0.26 -0.05 0.00 0.00 0.00 0.00 54.91 54.86 3a95 h ALA 90 Cb 0.52 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 18.03 3a95 h ALA 90 CO -0.67 0.66 0.12 0.77 0.00 0.00 0.00 179.25 180.13 3a95 h SER 91 N 1.03 0.82 -0.25 0.00 0.02 -1.63 -1.67 113.55 111.86 3a95 h SER 91 Ca 0.21 -0.24 -0.04 0.00 -0.84 0.00 0.00 61.79 60.88 3a95 h SER 91 Cb 0.40 -0.22 -0.01 0.00 0.14 0.00 0.00 62.40 62.71 3a95 h SER 91 CO 0.01 0.85 0.00 0.58 -1.14 0.00 0.00 176.83 177.13 3a95 h VAL 92 N 0.76 1.25 -0.72 2.27 2.07 -0.69 0.54 116.25 121.73 3a95 h VAL 92 Ca 0.17 -0.90 -0.03 0.00 0.82 0.00 0.00 66.70 66.75 3a95 h VAL 92 Cb 0.36 1.35 -0.03 0.00 -1.52 0.00 0.00 31.29 31.44 3a95 h VAL 92 CO 0.00 0.28 0.32 0.78 0.02 0.00 0.00 177.57 178.98 3a95 h ASN 93 N 0.22 0.96 -0.34 0.57 2.35 -0.97 -0.94 115.58 117.44 3a95 h ASN 93 Ca 0.07 -0.15 -0.08 0.00 -0.55 0.00 0.00 56.30 55.59 3a95 h ASN 93 Cb 0.41 -0.25 -0.01 0.00 0.05 0.00 0.00 38.32 38.52 3a95 h ASN 93 CO 0.01 0.84 -0.10 0.00 -1.65 0.00 0.00 177.43 176.53 3a95 h ALA 95 N 0.80 1.87 -0.85 0.00 0.00 -0.48 -0.85 119.26 119.75 3a95 h ALA 95 Ca 0.08 0.02 -0.03 0.00 0.00 0.00 0.00 54.91 54.98 3a95 h ALA 95 Cb 0.61 -0.11 -0.04 0.00 0.00 0.00 0.00 17.79 18.25 3a95 h ALA 95 CO 0.04 -0.12 0.41 0.87 0.00 0.00 0.00 179.25 180.45 3a95 h LYS 96 N 0.66 1.22 -0.40 0.00 1.57 -1.02 -0.94 116.57 117.64 3a95 h LYS 96 Ca 0.45 -0.18 -0.06 0.00 -1.87 0.00 0.00 60.65 58.99 3a95 h LYS 96 Cb 0.77 -0.22 -0.01 0.00 0.08 0.00 0.00 32.23 32.84 3a95 h LYS 96 CO -0.20 0.93 0.02 -0.22 -0.57 0.00 0.00 179.45 179.41 3a95 h LYS 97 N 1.21 0.70 0.05 3.15 3.64 -1.12 -2.84 116.57 121.36 3a95 h LYS 97 Ca 0.29 -0.21 -0.00 0.00 -1.27 0.00 0.00 60.65 59.46 3a95 h LYS 97 Cb 0.11 -0.07 0.00 0.00 -0.41 0.00 0.00 32.23 31.86 3a95 h LYS 97 CO -0.04 0.77 -0.03 0.82 -2.27 0.00 0.00 179.45 178.71 3a95 h ILE 98 N 0.53 0.99 0.00 2.00 2.04 -0.91 -2.53 117.51 119.63 3a95 h ILE 98 Ca 0.12 -0.12 0.00 0.00 1.00 0.00 0.00 64.86 65.86 3a95 h ILE 98 Cb 0.44 1.06 0.00 0.00 -0.74 0.00 0.00 36.82 37.58 3a95 h ILE 98 CO 0.02 0.03 0.00 0.55 0.00 0.00 0.00 178.15 178.75 3a95 n VAL 99 N -5.10 0.91 1.29 1.67 3.14 -0.39 -1.76 118.33 118.10 3a95 n VAL 99 Ca -0.08 0.34 0.13 0.00 -2.96 0.00 0.00 64.34 61.77 3a95 n VAL 99 Cb 0.08 -1.28 0.36 0.00 -1.06 0.00 0.00 33.84 31.94 3a95 n VAL 99 CO 0.00 0.00 0.00 -1.20 -6.46 0.00 0.00 176.83 169.17 3a95 n SER 100 N -2.18 1.64 -0.28 6.55 7.64 -0.96 -3.72 113.62 122.30 3a95 n SER 100 Ca 0.01 -1.39 0.13 0.00 1.01 0.00 0.00 58.87 58.64 3a95 n SER 100 Cb 0.18 0.09 0.62 0.00 -1.01 0.00 0.00 64.21 64.09 3a95 n SER 100 CO 0.00 0.00 0.00 -0.90 -3.01 0.00 0.00 175.04 171.13 3a95 n ASP 101 N 0.08 0.86 0.00 6.43 5.68 -0.72 -4.89 116.55 123.98 3a95 n ASP 101 Ca 0.15 -1.39 0.00 0.00 -0.50 0.00 0.00 54.79 53.05 3a95 n ASP 101 Cb 0.40 -0.02 0.00 0.00 -1.14 0.00 0.00 41.12 40.36 3a95 n ASP 101 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3a95 n GLY 102 N 1.05 1.85 1.07 6.12 0.00 -1.26 -4.95 105.19 109.07 3a95 n GLY 102 Ca 0.19 -0.32 0.09 0.00 0.00 0.00 0.00 46.02 45.98 3a95 n GLY 102 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3a95 n ASN 103 N 0.00 3.62 0.00 1.61 3.02 -1.26 -5.06 115.26 117.19 3a95 n ASN 103 Ca 0.00 -2.08 0.00 0.00 -0.03 0.00 0.00 54.58 52.47 3a95 n ASN 103 Cb 0.00 -0.40 0.00 0.00 -0.61 0.00 0.00 39.78 38.77 3a95 n ASN 103 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3a95 n GLY 104 N 1.07 2.28 0.00 7.41 0.00 -1.24 -2.01 105.19 112.70 3a95 n GLY 104 Ca 0.19 -0.39 0.13 0.00 0.00 0.00 0.00 46.02 45.95 3a95 n GLY 104 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 3a95 n MET 105 N 11.27 0.60 0.15 1.61 2.81 -1.26 -3.11 117.12 129.19 3a95 n MET 105 Ca 0.00 0.02 0.11 0.00 -1.81 0.00 0.00 57.70 56.03 3a95 n MET 105 Cb 0.00 -1.50 0.55 0.00 -0.71 0.00 0.00 33.22 31.56 3a95 n MET 105 CO 0.00 0.00 0.00 0.09 1.51 0.00 0.00 175.97 177.57 3a95 n ASN 106 N -1.13 0.59 0.17 7.83 3.02 -0.85 -1.26 115.26 123.63 3a95 n ASN 106 Ca 0.16 0.73 0.13 0.00 -0.03 0.00 0.00 54.58 55.56 3a95 n ASN 106 Cb 0.14 -0.82 0.67 0.00 -0.61 0.00 0.00 39.78 39.16 3a95 n ASN 106 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3a95 h ALA 107 N 2.08 2.15 -2.09 5.41 0.00 -1.71 -3.35 119.26 121.76 3a95 h ALA 107 Ca 0.00 -0.01 -0.70 0.00 0.00 0.00 0.00 54.91 54.20 3a95 h ALA 107 Cb 0.12 0.01 -0.19 0.00 0.00 0.00 0.00 17.79 17.72 3a95 h ALA 107 CO 0.00 -0.23 -0.01 -1.58 0.00 0.00 0.00 179.25 177.43 3a95 s TRP 108 N -5.02 3.08 0.29 0.00 0.51 -0.39 -4.94 118.94 112.47 3a95 s TRP 108 Ca -0.05 -0.73 0.00 0.00 -2.12 0.00 0.00 56.10 53.20 3a95 s TRP 108 Cb 0.18 -3.60 0.51 0.00 -0.81 0.00 0.00 33.47 29.75 3a95 s TRP 108 CO 0.68 -1.05 1.89 -0.24 -0.51 0.00 0.00 176.95 177.72 3a95 h VAL 109 N 5.86 1.04 -0.01 4.03 3.04 -1.84 -0.65 116.25 127.72 3a95 h VAL 109 Ca -0.28 -0.36 -0.06 0.00 -1.01 0.00 0.00 66.70 64.98 3a95 h VAL 109 Cb 1.10 -0.12 -0.01 0.00 -2.01 0.00 0.00 31.29 30.25 3a95 h VAL 109 CO 0.98 0.19 -0.29 0.00 -1.01 0.00 0.00 177.57 177.45 3a95 h ALA 110 N 1.50 1.49 -0.15 3.17 0.00 -1.93 -0.19 119.26 123.15 3a95 h ALA 110 Ca 0.43 -0.27 -0.03 0.00 0.00 0.00 0.00 54.91 55.03 3a95 h ALA 110 Cb 0.27 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 18.00 3a95 h ALA 110 CO -0.18 0.38 -0.03 2.35 0.00 0.00 0.00 179.25 181.77 3a95 h TRP 111 N 0.02 0.32 -0.72 0.00 7.01 -1.45 -1.03 115.95 120.09 3a95 h TRP 111 Ca 0.00 -0.07 -0.01 0.00 2.11 0.00 0.00 58.89 60.93 3a95 h TRP 111 Cb 0.53 -0.08 -0.03 0.00 -2.10 0.00 0.00 29.16 27.48 3a95 h TRP 111 CO 0.00 0.55 0.42 -0.09 -2.79 0.00 0.00 178.44 176.54 3a95 h ARG 112 N -0.01 0.99 0.00 2.65 2.43 -0.86 0.19 114.38 119.76 3a95 h ARG 112 Ca 0.04 -0.10 -0.03 0.00 -0.81 0.00 0.00 59.98 59.08 3a95 h ARG 112 Cb 0.45 -0.20 -0.00 0.00 -0.42 0.00 0.00 29.97 29.79 3a95 h ARG 112 CO 0.01 0.71 -0.36 -0.91 -1.51 0.00 0.00 179.97 177.92 3a95 h ASN 113 N 0.99 0.00 0.00 -3.80 2.35 -1.07 -3.37 115.58 110.68 3a95 h ASN 113 Ca 0.26 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 56.01 3a95 h ASN 113 Cb -0.01 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.36 3a95 h ASN 113 CO -0.05 0.14 -0.50 0.54 -1.65 0.00 0.00 177.43 175.90 3a95 n ARG 114 N -3.04 2.65 -0.02 0.81 1.74 -0.39 -4.90 116.66 113.50 3a95 n ARG 114 Ca 0.02 0.00 -0.04 0.00 -0.77 0.00 0.00 57.85 57.06 3a95 n ARG 114 Cb 0.59 -0.71 -0.02 0.00 -1.02 0.00 0.00 32.46 31.30 3a95 n ARG 114 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3a95 n LYS 116 N -2.82 1.64 -0.68 0.00 4.81 0.47 -0.87 118.16 120.72 3a95 n LYS 116 Ca -0.08 0.60 0.00 0.00 -0.87 0.00 0.00 58.31 57.95 3a95 n LYS 116 Cb 0.58 -2.32 0.00 0.00 0.02 0.00 0.00 35.03 33.31 3a95 n LYS 116 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 3a95 n GLY 117 N 3.44 1.49 3.98 3.14 0.00 -1.26 -4.96 105.19 111.03 3a95 n GLY 117 Ca 0.20 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 46.01 3a95 n GLY 117 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3a95 s THR 118 N -3.62 2.51 -1.24 2.61 -4.23 -0.05 -4.98 115.64 106.65 3a95 s THR 118 Ca 0.00 -0.69 -0.18 0.00 -1.18 0.00 0.00 61.69 59.64 3a95 s THR 118 Cb 0.00 -2.82 -0.01 0.00 1.34 0.00 0.00 72.50 71.01 3a95 s THR 118 CO 0.00 0.00 1.94 -0.67 -0.54 0.00 0.00 174.62 175.35 3a95 n ASP 119 N -2.43 3.91 0.29 3.99 2.03 -1.26 -4.75 116.55 118.33 3a95 n ASP 119 Ca 0.10 -2.82 0.19 0.00 0.52 0.00 0.00 54.79 52.78 3a95 n ASP 119 Cb 0.60 -1.62 0.80 0.00 -0.72 0.00 0.00 41.12 40.17 3a95 n ASP 119 CO 0.00 0.00 0.00 -0.37 -1.92 0.00 0.00 177.20 174.91 3a95 h VAL 120 N 5.10 0.00 -0.12 5.18 -1.51 -1.90 -2.48 116.25 120.51 3a95 h VAL 120 Ca 0.43 -0.41 0.04 0.00 -1.23 0.00 0.00 66.70 65.53 3a95 h VAL 120 Cb 0.79 1.41 -0.00 0.00 -2.13 0.00 0.00 31.29 31.35 3a95 h VAL 120 CO 1.61 0.00 0.11 1.56 -1.23 0.00 0.00 177.57 179.61 3a95 h GLN 121 N 0.00 0.00 -0.64 5.19 4.20 -1.88 -1.06 115.11 120.92 3a95 h GLN 121 Ca -0.00 0.00 0.18 0.00 0.06 0.00 0.00 58.65 58.89 3a95 h GLN 121 Cb 0.41 0.00 -0.03 0.00 0.30 0.00 0.00 27.48 28.16 3a95 h GLN 121 CO 0.00 0.00 0.45 0.00 -0.67 0.00 0.00 178.83 178.61 3a95 h ALA 122 N 1.90 2.51 0.00 3.87 0.00 -1.84 -1.36 119.26 124.35 3a95 h ALA 122 Ca 0.06 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.95 3a95 h ALA 122 Cb 0.27 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.09 3a95 h ALA 122 CO -0.00 -0.69 0.00 -1.49 0.00 0.00 0.00 179.25 177.06 3a95 h TRP 123 N 0.06 0.00 -0.06 0.00 4.06 -1.41 -2.83 115.95 115.77 3a95 h TRP 123 Ca 0.31 0.00 0.00 0.00 2.06 0.00 0.00 58.89 61.26 3a95 h TRP 123 Cb 1.13 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 29.29 3a95 h TRP 123 CO -0.00 0.00 0.00 0.44 -3.56 0.00 0.00 178.44 175.32 3a95 n ILE 124 N -2.47 0.63 -1.71 1.49 -5.35 -0.53 -4.83 119.36 106.58 3a95 n ILE 124 Ca 0.02 -0.81 -0.43 0.00 -0.27 0.00 0.00 62.75 61.26 3a95 n ILE 124 Cb 0.25 0.71 -0.03 0.00 -1.74 0.00 0.00 39.64 38.84 3a95 n ILE 124 CO 0.00 0.00 0.00 0.54 -1.76 0.00 0.00 176.55 175.33 3a95 n ARG 125 N -0.06 2.55 0.00 6.28 5.12 -1.07 -2.37 116.66 127.11 3a95 n ARG 125 Ca 0.03 0.91 0.00 0.00 -1.93 0.00 0.00 57.85 56.86 3a95 n ARG 125 Cb 0.22 -2.69 0.00 0.00 -1.16 0.00 0.00 32.46 28.82 3a95 n ARG 125 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 3a95 n GLY 126 N 2.91 2.31 3.75 -0.13 0.00 -1.26 -5.02 105.19 107.75 3a95 n GLY 126 Ca 0.13 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.75 3a95 n GLY 126 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3a95 s ARG 128 N -1.32 3.36 0.00 0.00 0.52 -1.26 -5.13 118.95 115.13 3a95 s ARG 128 Ca 0.43 -0.99 0.03 0.00 -0.52 0.00 0.00 55.73 54.67 3a95 s ARG 128 Cb -0.26 -4.65 0.02 0.00 0.52 0.00 0.00 34.95 30.57 3a95 s ARG 128 CO 0.33 -1.98 0.58 1.28 0.02 0.00 0.00 175.30 175.53