#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1pic s SER 2 N 0.00 2.09 -0.83 1.61 0.01 -1.26 -5.08 113.70 110.24 1pic s SER 2 Ca 0.00 -0.28 -0.25 0.00 1.31 0.00 0.00 55.95 56.73 1pic s SER 2 Cb 0.00 -0.80 0.03 0.00 0.21 0.00 0.00 66.02 65.46 1pic s SER 2 CO 0.00 -0.12 1.45 -2.16 0.41 0.00 0.00 173.24 172.83 1pic s PRO 3 N 1.66 3.21 0.48 12.44 0.04 -1.26 -4.99 135.00 146.59 1pic s PRO 3 Ca 0.04 -0.44 -0.23 0.00 0.04 0.00 0.00 61.00 60.40 1pic s PRO 3 Cb -0.13 -4.66 -0.07 0.00 0.04 0.00 0.00 34.50 29.68 1pic s PRO 3 CO -0.07 -2.33 1.23 0.96 0.04 0.00 0.00 177.00 176.83 1pic s ILE 4 N 6.18 2.77 -0.56 0.56 -4.36 -1.26 -4.91 121.20 119.63 1pic s ILE 4 Ca 0.45 0.59 0.25 0.00 -0.26 0.00 0.00 60.65 61.68 1pic s ILE 4 Cb -0.06 -3.30 0.31 0.00 1.25 0.00 0.00 42.46 40.66 1pic s ILE 4 CO 0.06 -0.00 1.73 1.55 0.24 0.00 0.00 174.94 178.52 1pic h PRO 5 N 1.91 0.00 -0.27 0.37 0.13 -1.94 -3.20 132.00 129.01 1pic h PRO 5 Ca -0.50 0.00 -0.08 0.00 -0.87 0.00 0.00 66.00 64.55 1pic h PRO 5 Cb 1.26 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.38 1pic h PRO 5 CO 0.59 0.00 -0.18 0.45 -0.23 0.00 0.00 178.00 178.64 1pic h HIS 6 N 0.00 0.52 -1.63 1.56 3.86 -1.98 -2.75 115.15 114.73 1pic h HIS 6 Ca 0.00 -0.09 0.47 0.00 -1.16 0.00 0.00 60.37 59.59 1pic h HIS 6 Cb 0.76 -0.14 -0.07 0.00 1.06 0.00 0.00 27.41 29.03 1pic h HIS 6 CO 0.00 0.63 1.32 1.25 0.86 0.00 0.00 177.93 181.99 1pic h HIS 7 N 0.43 0.00 -3.30 2.45 6.17 -1.95 -3.37 115.15 115.58 1pic h HIS 7 Ca 0.07 0.00 -0.56 0.00 0.71 0.00 0.00 60.37 60.59 1pic h HIS 7 Cb 0.56 0.00 -0.04 0.00 2.52 0.00 0.00 27.41 30.45 1pic h HIS 7 CO 0.02 0.00 -0.11 0.34 0.71 0.00 0.00 177.93 178.89 1pic s ASP 8 N -3.84 6.78 0.27 3.26 -1.08 -1.04 -4.97 116.67 116.05 1pic s ASP 8 Ca -0.04 1.02 0.24 0.00 -0.52 0.00 0.00 52.55 53.24 1pic s ASP 8 Cb 0.23 -2.27 0.31 0.00 -1.46 0.00 0.00 42.92 39.73 1pic s ASP 8 CO 0.76 0.10 1.41 -0.33 0.52 0.00 0.00 175.17 177.62 1pic h GLU 9 N 3.49 0.00 0.00 4.34 5.08 -1.88 -3.26 114.58 122.35 1pic h GLU 9 Ca -0.48 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.88 1pic h GLU 9 Cb 1.19 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.44 1pic h GLU 9 CO 0.66 0.00 -0.02 0.87 -1.00 0.00 0.00 179.01 179.52 1pic h LYS 10 N 0.00 0.00 -0.85 2.33 1.57 -1.91 -0.26 116.57 117.45 1pic h LYS 10 Ca 0.00 0.00 0.16 0.00 -1.87 0.00 0.00 60.65 58.94 1pic h LYS 10 Cb 0.91 0.00 -0.06 0.00 0.08 0.00 0.00 32.23 33.16 1pic h LYS 10 CO 0.00 0.00 0.56 1.15 -0.57 0.00 0.00 179.45 180.59 1pic h THR 11 N 0.00 0.78 0.00 -0.16 2.02 -1.82 -3.25 112.91 110.49 1pic h THR 11 Ca 0.00 -0.18 0.00 0.00 0.77 0.00 0.00 66.41 67.00 1pic h THR 11 Cb 0.96 0.20 0.00 0.00 -1.74 0.00 0.00 68.15 67.57 1pic h THR 11 CO 0.00 0.10 -0.56 -2.67 0.37 0.00 0.00 175.52 172.76 1pic n TRP 12 N -4.53 0.00 -1.90 3.16 4.27 -1.23 -2.23 117.44 114.98 1pic n TRP 12 Ca 0.17 0.00 -0.43 0.00 -3.89 0.00 0.00 57.50 53.35 1pic n TRP 12 Cb 0.54 0.00 -0.03 0.00 -1.36 0.00 0.00 31.31 30.46 1pic n TRP 12 CO 0.00 0.00 0.00 1.21 -2.29 0.00 0.00 177.69 176.61 1pic s ASN 13 N -1.14 6.25 0.00 -0.67 3.84 -0.11 -2.43 114.94 120.68 1pic s ASN 13 Ca 0.00 2.00 0.21 0.00 0.21 0.00 0.00 52.86 55.28 1pic s ASN 13 Cb 0.00 -2.53 0.04 0.00 -0.55 0.00 0.00 41.25 38.21 1pic s ASN 13 CO 0.00 -1.30 1.07 0.55 -2.79 0.00 0.00 177.10 174.62 1pic n VAL 14 N 6.34 0.00 -0.14 -5.21 3.14 -0.69 -4.75 118.33 117.02 1pic n VAL 14 Ca 0.21 -0.33 0.00 0.00 -2.96 0.00 0.00 64.34 61.26 1pic n VAL 14 Cb 0.44 1.29 0.00 0.00 -1.06 0.00 0.00 33.84 34.51 1pic n VAL 14 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 1pic n GLY 15 N 1.32 0.47 3.11 7.55 0.00 -1.24 -4.88 105.19 111.50 1pic n GLY 15 Ca 0.10 -0.89 -0.11 0.00 0.00 0.00 0.00 46.02 45.12 1pic n GLY 15 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1pic s SER 16 N -4.00 0.91 0.00 1.61 1.04 -1.26 -0.65 113.70 111.35 1pic s SER 16 Ca 0.00 -0.78 0.00 0.00 0.48 0.00 0.00 55.95 55.65 1pic s SER 16 Cb 0.00 0.08 0.00 0.00 0.10 0.00 0.00 66.02 66.20 1pic s SER 16 CO 0.00 -0.36 0.00 -1.54 0.98 0.00 0.00 173.24 172.32 1pic n SER 17 N 0.71 -1.23 -2.79 7.02 3.41 -1.26 -4.88 113.62 114.60 1pic n SER 17 Ca -0.18 0.00 -0.10 0.00 -0.26 0.00 0.00 58.87 58.33 1pic n SER 17 Cb 0.58 -0.31 0.07 0.00 -0.26 0.00 0.00 64.21 64.29 1pic n SER 17 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 1pic n ASN 18 N -0.68 -1.56 0.00 4.04 4.13 -1.26 -4.93 115.26 115.00 1pic n ASN 18 Ca 0.00 -3.29 0.00 0.00 1.68 0.00 0.00 54.58 52.97 1pic n ASN 18 Cb 0.31 1.22 0.00 0.00 -1.54 0.00 0.00 39.78 39.77 1pic n ASN 18 CO 0.00 0.00 0.00 -1.14 0.28 0.00 0.00 177.26 176.40 1pic n ARG 19 N 0.12 0.00 0.22 3.52 0.00 -1.26 -0.97 116.66 118.29 1pic n ARG 19 Ca 0.07 0.44 0.15 0.00 -0.00 0.00 0.00 57.85 58.51 1pic n ARG 19 Cb 0.73 -0.98 0.60 0.00 0.00 0.00 0.00 32.46 32.81 1pic n ARG 19 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 177.63 176.66 1pic h ASN 20 N 0.00 0.00 0.00 6.15 -1.24 -1.97 -0.90 115.58 117.62 1pic h ASN 20 Ca 0.00 0.00 -0.00 0.00 0.71 0.00 0.00 56.30 57.01 1pic h ASN 20 Cb 0.00 0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.05 1pic h ASN 20 CO 0.00 0.00 -0.00 0.11 -1.29 0.00 0.00 177.43 176.25 1pic h LYS 21 N 0.00 -0.00 -0.06 6.67 1.57 -1.92 0.12 116.57 122.95 1pic h LYS 21 Ca 0.00 0.00 0.02 0.00 -1.87 0.00 0.00 60.65 58.80 1pic h LYS 21 Cb 0.47 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.78 1pic h LYS 21 CO 0.00 0.41 0.05 0.00 -0.57 0.00 0.00 179.45 179.34 1pic h ALA 22 N -0.59 1.82 0.05 3.86 0.00 -1.00 0.17 119.26 123.57 1pic h ALA 22 Ca -0.00 -0.00 -0.25 0.00 0.00 0.00 0.00 54.91 54.66 1pic h ALA 22 Cb 0.41 0.00 0.01 0.00 0.00 0.00 0.00 17.79 18.21 1pic h ALA 22 CO 0.00 -0.09 -1.06 1.49 0.00 0.00 0.00 179.25 179.59 1pic h GLU 23 N 0.00 0.41 0.00 0.00 4.81 -1.19 -2.42 114.58 116.19 1pic h GLU 23 Ca 0.03 -0.50 -0.05 0.00 -0.13 0.00 0.00 59.36 58.71 1pic h GLU 23 Cb 0.14 0.16 -0.01 0.00 0.63 0.00 0.00 28.75 29.67 1pic h GLU 23 CO -0.00 1.17 -0.22 -0.97 -0.73 0.00 0.00 179.01 178.26 1pic h ASN 24 N 0.20 0.00 0.33 1.04 -0.73 0.13 -1.29 115.58 115.25 1pic h ASN 24 Ca -0.11 0.00 -0.31 0.00 1.87 0.00 0.00 56.30 57.75 1pic h ASN 24 Cb 1.73 0.00 0.03 0.00 0.27 0.00 0.00 38.32 40.34 1pic h ASN 24 CO 0.18 0.22 -1.35 0.25 -0.37 0.00 0.00 177.43 176.37 1pic h LEU 25 N 0.00 0.74 -0.80 0.34 6.46 -0.89 -3.25 115.31 117.90 1pic h LEU 25 Ca -0.00 -0.76 -0.11 0.00 -0.12 0.00 0.00 57.88 56.88 1pic h LEU 25 Cb 0.60 -0.24 -0.01 0.00 -0.73 0.00 0.00 40.66 40.28 1pic h LEU 25 CO 0.03 1.58 -0.32 -0.07 -0.62 0.00 0.00 178.44 179.04 1pic h LEU 26 N 0.16 0.55 -8.28 2.25 3.38 -1.09 -3.39 115.31 108.89 1pic h LEU 26 Ca -0.20 -0.21 -0.04 0.00 0.09 0.00 0.00 57.88 57.52 1pic h LEU 26 Cb 2.04 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 42.63 1pic h LEU 26 CO 0.25 0.83 0.22 -1.14 0.09 0.00 0.00 178.44 178.69 1pic n ARG 27 N -4.08 0.46 0.00 1.13 0.63 -0.52 -1.04 116.66 113.24 1pic n ARG 27 Ca -0.01 -0.83 0.00 0.00 -0.92 0.00 0.00 57.85 56.09 1pic n ARG 27 Cb 0.46 -3.43 0.00 0.00 0.45 0.00 0.00 32.46 29.94 1pic n ARG 27 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 1pic n GLY 28 N 6.61 3.78 1.93 5.14 0.00 -1.26 -5.00 105.19 116.39 1pic n GLY 28 Ca 0.48 -0.56 -0.16 0.00 0.00 0.00 0.00 46.02 45.78 1pic n GLY 28 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1pic n LYS 29 N 0.00 -2.99 -3.97 1.61 4.76 -0.21 -5.00 118.16 112.37 1pic n LYS 29 Ca 0.00 -0.78 -0.22 0.00 -2.87 0.00 0.00 58.31 54.44 1pic n LYS 29 Cb 0.00 -1.10 -0.02 0.00 -1.84 0.00 0.00 35.03 32.06 1pic n LYS 29 CO 0.00 0.00 0.00 1.03 -1.37 0.00 0.00 177.40 177.06 1pic s ARG 30 N -3.85 3.42 0.16 1.97 0.52 -1.26 -5.01 118.95 114.90 1pic s ARG 30 Ca 0.36 -0.72 -0.34 0.00 -0.52 0.00 0.00 55.73 54.51 1pic s ARG 30 Cb -0.06 -2.90 -0.15 0.00 0.52 0.00 0.00 34.95 32.36 1pic s ARG 30 CO 0.30 0.46 1.39 -3.47 0.02 0.00 0.00 175.30 174.00 1pic n ASP 31 N -1.16 2.29 0.00 0.23 2.03 -1.26 -2.06 116.55 116.62 1pic n ASP 31 Ca -0.08 1.12 0.00 0.00 0.52 0.00 0.00 54.79 56.34 1pic n ASP 31 Cb 0.56 -1.32 0.00 0.00 -0.72 0.00 0.00 41.12 39.64 1pic n ASP 31 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1pic n GLY 32 N 2.59 0.77 3.78 0.27 0.00 -1.07 -4.92 105.19 106.62 1pic n GLY 32 Ca 0.16 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.86 1pic n GLY 32 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1pic s THR 33 N -2.00 3.42 -0.08 2.61 -4.23 -0.88 -2.09 115.64 112.40 1pic s THR 33 Ca 0.00 0.56 -0.30 0.00 -1.18 0.00 0.00 61.69 60.76 1pic s THR 33 Cb 0.00 -3.09 0.07 0.00 1.34 0.00 0.00 72.50 70.83 1pic s THR 33 CO 0.00 -0.51 0.71 0.72 -0.54 0.00 0.00 174.62 175.00 1pic s PHE 34 N -2.66 -0.65 -0.04 3.99 -0.71 -0.73 -1.52 117.98 115.67 1pic s PHE 34 Ca 0.63 1.17 -0.06 0.00 -1.04 0.00 0.00 56.93 57.63 1pic s PHE 34 Cb -0.18 0.40 0.01 0.00 -1.21 0.00 0.00 43.02 42.04 1pic s PHE 34 CO 0.48 -0.57 0.15 -0.48 -1.34 0.00 0.00 175.22 173.47 1pic s LEU 35 N -1.03 1.45 -0.25 -1.99 0.05 -0.41 -1.77 118.68 114.73 1pic s LEU 35 Ca -0.09 0.11 -0.05 0.00 0.05 0.00 0.00 54.13 54.14 1pic s LEU 35 Cb -0.01 0.61 -0.01 0.00 -2.05 0.00 0.00 46.19 44.74 1pic s LEU 35 CO 0.08 -0.19 0.02 -0.69 -0.55 0.00 0.00 176.35 175.02 1pic s VAL 36 N -0.53 3.71 0.24 1.48 1.01 -1.02 -0.30 120.40 125.00 1pic s VAL 36 Ca -0.06 -0.52 0.01 0.00 0.00 0.00 0.00 61.98 61.41 1pic s VAL 36 Cb -0.04 -2.78 -0.00 0.00 0.00 0.00 0.00 36.38 33.56 1pic s VAL 36 CO 0.01 0.29 0.04 -2.11 0.00 0.00 0.00 175.10 173.33 1pic n ARG 37 N 4.83 1.08 -0.23 2.72 1.85 -0.70 -1.70 116.66 124.51 1pic n ARG 37 Ca -0.17 -1.90 0.00 0.00 -1.00 0.00 0.00 57.85 54.79 1pic n ARG 37 Cb 0.50 0.74 0.00 0.00 -1.05 0.00 0.00 32.46 32.65 1pic n ARG 37 CO 0.00 0.00 0.00 0.39 -0.01 0.00 0.00 177.63 178.01 1pic n GLU 38 N -0.58 2.82 0.00 2.89 1.02 0.18 -2.14 120.64 124.82 1pic n GLU 38 Ca -0.07 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.07 1pic n GLU 38 Cb 0.33 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.75 1pic n GLU 38 CO 0.00 0.00 0.00 0.45 1.18 0.00 0.00 177.13 178.76 1pic n SER 39 N -0.18 0.00 -0.06 1.62 2.88 -1.26 -4.28 113.62 112.34 1pic n SER 39 Ca 0.00 0.00 0.05 0.00 -1.33 0.00 0.00 58.87 57.59 1pic n SER 39 Cb 0.00 0.00 0.26 0.00 -0.75 0.00 0.00 64.21 63.72 1pic n SER 39 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 1pic n SER 40 N 0.00 0.19 -3.34 -3.46 7.64 -1.26 -4.87 113.62 108.52 1pic n SER 40 Ca 0.00 -1.74 -0.17 0.00 1.01 0.00 0.00 58.87 57.98 1pic n SER 40 Cb 0.00 -0.02 0.16 0.00 -1.01 0.00 0.00 64.21 63.34 1pic n SER 40 CO 0.00 0.00 0.00 0.29 -3.01 0.00 0.00 175.04 172.32 1pic n LYS 41 N -0.53 -2.17 -0.21 1.43 5.02 -1.26 -4.82 118.16 115.61 1pic n LYS 41 Ca 0.07 -0.79 0.06 0.00 -2.02 0.00 0.00 58.31 55.63 1pic n LYS 41 Cb 0.06 -1.33 0.17 0.00 -0.02 0.00 0.00 35.03 33.91 1pic n LYS 41 CO 0.00 0.00 0.00 0.94 -0.52 0.00 0.00 177.40 177.82 1pic n GLN 42 N -2.49 1.97 0.00 1.97 7.27 -1.26 -4.72 117.38 120.12 1pic n GLN 42 Ca 0.08 -1.37 0.00 0.00 0.07 0.00 0.00 57.00 55.77 1pic n GLN 42 Cb 0.33 -1.34 0.00 0.00 2.41 0.00 0.00 30.24 31.63 1pic n GLN 42 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 1pic n GLY 43 N 1.03 -0.37 0.00 1.69 0.00 -1.26 -5.10 105.19 101.19 1pic n GLY 43 Ca 0.13 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.15 1pic n GLY 43 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1pic s TYR 45 N -0.68 1.06 -0.06 0.00 2.02 -1.26 -4.70 117.35 113.73 1pic s TYR 45 Ca 0.00 -1.26 -0.02 0.00 -0.37 0.00 0.00 57.07 55.42 1pic s TYR 45 Cb 0.00 -0.31 0.04 0.00 -0.40 0.00 0.00 41.96 41.29 1pic s TYR 45 CO 0.00 -0.87 0.11 0.00 -1.57 0.00 0.00 175.55 173.22 1pic s ALA 46 N -3.77 -0.02 -0.48 3.71 0.00 -0.91 -2.39 121.76 117.91 1pic s ALA 46 Ca 0.34 0.43 -0.17 0.00 0.00 0.00 0.00 51.96 52.56 1pic s ALA 46 Cb 0.03 -0.62 0.06 0.00 0.00 0.00 0.00 23.12 22.59 1pic s ALA 46 CO 0.16 -0.42 0.46 0.00 0.00 0.00 0.00 175.76 175.96 1pic s SER 48 N 2.52 6.00 0.05 0.00 0.01 0.59 -2.41 113.70 120.46 1pic s SER 48 Ca 0.08 0.48 0.06 0.00 1.31 0.00 0.00 55.95 57.88 1pic s SER 48 Cb -0.22 -2.54 -0.03 0.00 0.21 0.00 0.00 66.02 63.44 1pic s SER 48 CO 0.09 -1.78 -0.12 0.54 0.41 0.00 0.00 173.24 172.38 1pic s VAL 49 N 6.53 3.22 -0.16 3.43 0.11 -0.68 -1.29 120.40 131.57 1pic s VAL 49 Ca 0.59 -1.08 -0.22 0.00 -2.93 0.00 0.00 61.98 58.34 1pic s VAL 49 Cb -0.13 -2.42 -0.03 0.00 -1.53 0.00 0.00 36.38 32.28 1pic s VAL 49 CO 0.26 0.29 0.67 -0.69 -3.33 0.00 0.00 175.10 172.31 1pic s VAL 50 N -1.03 5.01 -0.15 2.04 1.01 -0.58 -1.59 120.40 125.11 1pic s VAL 50 Ca 0.17 1.31 0.00 0.00 0.00 0.00 0.00 61.98 63.47 1pic s VAL 50 Cb -0.11 -3.99 0.03 0.00 0.00 0.00 0.00 36.38 32.30 1pic s VAL 50 CO 0.08 0.14 -0.13 -0.69 0.00 0.00 0.00 175.10 174.51 1pic s VAL 51 N 1.62 1.53 0.00 2.92 1.01 -1.02 -2.59 120.40 123.87 1pic s VAL 51 Ca 0.32 -0.66 0.00 0.00 0.00 0.00 0.00 61.98 61.64 1pic s VAL 51 Cb -0.16 -1.47 0.00 0.00 0.00 0.00 0.00 36.38 34.74 1pic s VAL 51 CO 0.12 0.40 0.00 -0.67 0.00 0.00 0.00 175.10 174.95 1pic n ASP 52 N 4.78 -5.45 0.00 3.32 2.03 -1.26 -1.31 116.55 118.65 1pic n ASP 52 Ca -0.16 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.15 1pic n ASP 52 Cb 0.49 -2.99 0.00 0.00 -0.72 0.00 0.00 41.12 37.91 1pic n ASP 52 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1pic n GLY 53 N 0.31 2.65 3.42 0.27 0.00 -1.26 -5.03 105.19 105.54 1pic n GLY 53 Ca 0.00 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.58 1pic n GLY 53 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1pic s GLU 54 N -0.68 2.99 0.37 1.61 2.12 -0.43 -4.87 118.70 119.82 1pic s GLU 54 Ca 0.00 -1.20 -0.27 0.00 0.36 0.00 0.00 54.97 53.86 1pic s GLU 54 Cb 0.00 -4.08 -0.09 0.00 0.26 0.00 0.00 34.13 30.22 1pic s GLU 54 CO 0.00 -0.96 1.27 0.54 -0.54 0.00 0.00 175.26 175.57 1pic s VAL 55 N 1.74 2.80 0.16 3.70 0.11 -1.26 -2.42 120.40 125.23 1pic s VAL 55 Ca 0.05 0.75 -0.00 0.00 -2.93 0.00 0.00 61.98 59.86 1pic s VAL 55 Cb -0.22 -3.46 -0.04 0.00 -1.53 0.00 0.00 36.38 31.13 1pic s VAL 55 CO 0.08 0.14 0.06 -0.75 -3.33 0.00 0.00 175.10 171.30 1pic s LYS 56 N -2.01 1.05 -0.15 1.54 2.20 -0.62 -4.92 119.74 116.83 1pic s LYS 56 Ca 0.53 -1.52 -0.05 0.00 -0.36 0.00 0.00 55.97 54.57 1pic s LYS 56 Cb -0.37 0.10 -0.03 0.00 -1.51 0.00 0.00 37.83 36.02 1pic s LYS 56 CO 0.48 -0.26 0.00 -1.01 -0.36 0.00 0.00 175.35 174.21 1pic s HIS 57 N -3.96 3.13 0.39 4.03 3.76 -1.26 -1.68 115.29 119.69 1pic s HIS 57 Ca 0.28 -0.09 0.04 0.00 -0.15 0.00 0.00 55.06 55.14 1pic s HIS 57 Cb 0.07 -1.98 -0.06 0.00 1.11 0.00 0.00 32.58 31.73 1pic s HIS 57 CO 0.05 0.11 0.05 0.00 -0.85 0.00 0.00 174.74 174.09 1pic s VAL 59 N -3.05 4.05 -0.24 0.00 1.01 -1.26 -0.11 120.40 120.80 1pic s VAL 59 Ca 0.30 -1.10 -0.11 0.00 0.00 0.00 0.00 61.98 61.08 1pic s VAL 59 Cb 0.07 -2.98 -0.11 0.00 0.00 0.00 0.00 36.38 33.37 1pic s VAL 59 CO 0.14 0.03 -0.30 0.00 0.00 0.00 0.00 175.10 174.97 1pic n ILE 60 N 0.25 1.30 -4.47 2.22 3.06 -1.01 -4.58 119.36 116.13 1pic n ILE 60 Ca -0.10 -0.34 -0.22 0.00 -2.50 0.00 0.00 62.75 59.58 1pic n ILE 60 Cb 0.53 -1.78 -0.11 0.00 0.54 0.00 0.00 39.64 38.82 1pic n ILE 60 CO 0.00 0.00 0.00 0.21 -2.50 0.00 0.00 176.55 174.26 1pic s ASN 61 N -7.06 2.54 0.12 9.51 2.47 -1.25 -2.46 114.94 118.81 1pic s ASN 61 Ca -0.33 -1.37 0.00 0.00 0.42 0.00 0.00 52.86 51.58 1pic s ASN 61 Cb 0.12 -0.12 0.00 0.00 -1.45 0.00 0.00 41.25 39.80 1pic s ASN 61 CO 0.42 -0.58 0.00 1.17 -3.72 0.00 0.00 177.10 174.39 1pic n LYS 62 N -0.71 0.00 -4.29 0.43 4.81 -1.26 -4.41 118.16 112.72 1pic n LYS 62 Ca -0.03 0.00 -0.31 0.00 -0.87 0.00 0.00 58.31 57.11 1pic n LYS 62 Cb 0.67 -0.18 -0.09 0.00 0.02 0.00 0.00 35.03 35.44 1pic n LYS 62 CO 0.00 0.00 0.00 0.95 1.17 0.00 0.00 177.40 179.52 1pic s THR 63 N -2.00 3.69 -0.17 3.15 -4.23 -1.26 -4.86 115.64 109.96 1pic s THR 63 Ca 0.00 -0.97 -0.31 0.00 -1.18 0.00 0.00 61.69 59.23 1pic s THR 63 Cb 0.00 -2.69 -0.08 0.00 1.34 0.00 0.00 72.50 71.07 1pic s THR 63 CO 0.00 0.23 2.10 0.00 -0.54 0.00 0.00 174.62 176.41 1pic n ALA 64 N 1.02 1.42 0.00 3.99 0.00 -1.26 -4.25 120.51 121.43 1pic n ALA 64 Ca -0.13 -0.02 0.00 0.00 0.00 0.00 0.00 53.44 53.29 1pic n ALA 64 Cb 0.52 -2.72 0.00 0.00 0.00 0.00 0.00 19.45 17.26 1pic n ALA 64 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 1pic n THR 65 N 6.69 0.00 -0.75 0.00 -1.04 -1.26 -5.16 114.28 112.76 1pic n THR 65 Ca 0.29 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.30 1pic n THR 65 Cb 0.37 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 68.88 1pic n THR 65 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1pic n GLY 66 N -0.19 -0.73 2.56 3.41 0.00 -1.26 -4.74 105.19 104.23 1pic n GLY 66 Ca 0.00 -0.39 -0.05 0.00 0.00 0.00 0.00 46.02 45.58 1pic n GLY 66 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1pic n TYR 67 N 1.06 1.51 0.00 1.61 4.01 -1.26 -4.87 117.16 119.22 1pic n TYR 67 Ca 0.00 -2.07 0.00 0.00 -0.16 0.00 0.00 57.90 55.67 1pic n TYR 67 Cb 0.00 -0.25 0.00 0.00 -0.31 0.00 0.00 39.34 38.78 1pic n TYR 67 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1pic n GLY 68 N -0.58 -3.15 0.12 2.72 0.00 -1.26 -4.57 105.19 98.48 1pic n GLY 68 Ca 0.15 -1.07 0.01 0.00 0.00 0.00 0.00 46.02 45.12 1pic n GLY 68 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 1pic n PHE 69 N -1.19 0.08 0.00 1.61 -0.00 -1.03 -3.92 117.46 113.02 1pic n PHE 69 Ca 0.00 -0.43 0.00 0.00 -0.00 0.00 0.00 57.45 57.02 1pic n PHE 69 Cb 0.00 -0.04 0.00 0.00 -0.00 0.00 0.00 39.48 39.44 1pic n PHE 69 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.76 176.76 1pic n ALA 70 N -0.24 0.00 -2.53 3.13 0.00 -1.05 -4.64 120.51 115.19 1pic n ALA 70 Ca 0.02 0.00 -0.24 0.00 0.00 0.00 0.00 53.44 53.23 1pic n ALA 70 Cb 0.25 0.00 -0.15 0.00 0.00 0.00 0.00 19.45 19.56 1pic n ALA 70 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.50 175.50 1pic s GLU 71 N 0.00 1.27 -0.30 0.00 2.12 -1.26 -4.93 118.70 115.60 1pic s GLU 71 Ca 0.00 -0.69 -0.29 0.00 0.36 0.00 0.00 54.97 54.35 1pic s GLU 71 Cb 0.00 -1.27 0.01 0.00 0.26 0.00 0.00 34.13 33.14 1pic s GLU 71 CO 0.00 0.34 1.13 -1.25 -0.54 0.00 0.00 175.26 174.93 1pic s PRO 72 N -0.70 4.06 0.02 4.30 0.04 -1.26 -4.47 135.00 137.00 1pic s PRO 72 Ca 0.06 1.16 -0.10 0.00 0.04 0.00 0.00 61.00 62.15 1pic s PRO 72 Cb -0.07 -3.76 0.01 0.00 0.04 0.00 0.00 34.50 30.72 1pic s PRO 72 CO 0.00 -0.91 0.21 -0.47 0.04 0.00 0.00 177.00 175.87 1pic s TYR 73 N 3.75 0.00 0.00 0.56 5.04 -1.26 -5.11 117.35 120.33 1pic s TYR 73 Ca 0.48 -0.13 0.00 0.00 -2.44 0.00 0.00 57.07 54.98 1pic s TYR 73 Cb -0.14 -0.00 0.00 0.00 0.35 0.00 0.00 41.96 42.17 1pic s TYR 73 CO 0.16 -0.39 0.00 0.09 -1.34 0.00 0.00 175.55 174.07 1pic n ASN 74 N 0.96 -1.26 0.00 4.32 3.02 -1.26 -4.88 115.26 116.16 1pic n ASN 74 Ca -0.20 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.35 1pic n ASN 74 Cb 0.58 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.75 1pic n ASN 74 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 1pic n LEU 75 N 0.00 0.00 -0.95 3.41 4.32 -1.26 -4.86 117.00 117.66 1pic n LEU 75 Ca 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 56.01 55.99 1pic n LEU 75 Cb 0.00 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 41.80 1pic n LEU 75 CO 0.00 0.00 -0.17 -1.22 -1.22 0.00 0.00 177.39 174.78 1pic n TYR 76 N 0.00 -1.74 -1.47 -1.77 4.01 -1.26 -4.46 117.16 110.48 1pic n TYR 76 Ca 0.00 1.01 -0.35 0.00 -0.16 0.00 0.00 57.90 58.40 1pic n TYR 76 Cb 0.00 -2.52 0.07 0.00 -0.31 0.00 0.00 39.34 36.58 1pic n TYR 76 CO 0.00 0.00 0.00 0.45 -0.46 0.00 0.00 176.86 176.85 1pic n SER 77 N 0.47 7.50 -3.69 7.72 2.88 -1.26 -4.31 113.62 122.93 1pic n SER 77 Ca 0.00 -3.79 -0.12 0.00 -1.33 0.00 0.00 58.87 53.62 1pic n SER 77 Cb 0.00 -0.95 -0.07 0.00 -0.75 0.00 0.00 64.21 62.44 1pic n SER 77 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 1pic s SER 78 N -1.85 -0.23 0.05 -3.46 0.01 -1.26 -5.05 113.70 101.92 1pic s SER 78 Ca 0.62 -0.06 0.15 0.00 1.31 0.00 0.00 55.95 57.97 1pic s SER 78 Cb 0.49 0.40 -0.15 0.00 0.21 0.00 0.00 66.02 66.98 1pic s SER 78 CO -0.07 -0.65 0.85 -0.07 0.41 0.00 0.00 173.24 173.72 1pic h LEU 79 N 3.08 0.00 -1.62 2.44 4.07 -1.92 -3.35 115.31 118.02 1pic h LEU 79 Ca -0.31 0.00 0.47 0.00 0.08 0.00 0.00 57.88 58.12 1pic h LEU 79 Cb 1.20 0.00 -0.11 0.00 1.08 0.00 0.00 40.66 42.84 1pic h LEU 79 CO 0.44 0.71 1.02 0.50 -1.08 0.00 0.00 178.44 180.03 1pic h LYS 80 N 0.00 0.05 0.03 1.13 3.64 -1.96 0.47 116.57 119.93 1pic h LYS 80 Ca -0.18 -0.00 -0.00 0.00 -1.27 0.00 0.00 60.65 59.20 1pic h LYS 80 Cb 1.70 -0.01 0.00 0.00 -0.41 0.00 0.00 32.23 33.51 1pic h LYS 80 CO 0.06 0.03 -0.01 0.93 -2.27 0.00 0.00 179.45 178.19 1pic h GLU 81 N 0.05 -0.03 0.22 1.90 5.08 -1.97 -2.18 114.58 117.65 1pic h GLU 81 Ca 0.84 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 59.19 1pic h GLU 81 Cb 2.90 0.01 -0.01 0.00 0.50 0.00 0.00 28.75 32.15 1pic h GLU 81 CO -0.27 0.63 -0.24 1.25 -1.00 0.00 0.00 179.01 179.38 1pic h LEU 82 N -0.76 -0.66 -1.28 1.33 7.12 -0.35 -0.79 115.31 119.92 1pic h LEU 82 Ca -0.00 0.06 0.36 0.00 0.13 0.00 0.00 57.88 58.42 1pic h LEU 82 Cb 0.68 0.22 -0.13 0.00 -0.53 0.00 0.00 40.66 40.91 1pic h LEU 82 CO 0.01 -0.31 0.72 0.58 -0.13 0.00 0.00 178.44 179.31 1pic h VAL 83 N -0.46 0.27 -0.49 1.05 2.07 -1.19 0.42 116.25 117.92 1pic h VAL 83 Ca -0.03 -0.08 -0.07 0.00 0.82 0.00 0.00 66.70 67.35 1pic h VAL 83 Cb 0.41 0.02 -0.02 0.00 -1.52 0.00 0.00 31.29 30.18 1pic h VAL 83 CO -0.04 0.04 0.03 0.25 0.02 0.00 0.00 177.57 177.87 1pic h LEU 84 N 0.22 0.82 0.60 2.57 7.12 -0.54 0.15 115.31 126.25 1pic h LEU 84 Ca 0.74 -0.29 -0.03 0.00 0.13 0.00 0.00 57.88 58.43 1pic h LEU 84 Cb 2.06 -0.22 0.01 0.00 -0.53 0.00 0.00 40.66 41.97 1pic h LEU 84 CO -0.45 0.90 -0.29 -0.74 -0.13 0.00 0.00 178.44 177.73 1pic h HIS 85 N 0.70 -0.75 0.00 1.25 2.76 0.12 -2.13 115.15 117.10 1pic h HIS 85 Ca 0.14 -0.02 0.00 0.00 -2.20 0.00 0.00 60.37 58.29 1pic h HIS 85 Cb 0.46 0.25 0.00 0.00 1.55 0.00 0.00 27.41 29.67 1pic h HIS 85 CO 0.03 -0.47 0.00 0.66 -1.30 0.00 0.00 177.93 176.86 1pic n TYR 86 N -4.27 0.60 0.11 5.26 4.02 -0.94 -1.66 117.16 120.27 1pic n TYR 86 Ca -0.10 0.30 0.17 0.00 -0.01 0.00 0.00 57.90 58.26 1pic n TYR 86 Cb 0.32 -0.98 0.71 0.00 -0.02 0.00 0.00 39.34 39.37 1pic n TYR 86 CO 0.00 0.00 0.00 -0.56 -1.01 0.00 0.00 176.86 175.29 1pic h GLN 87 N 0.00 0.00 0.00 -0.72 -0.00 0.02 -2.16 115.11 112.25 1pic h GLN 87 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.65 1pic h GLN 87 Cb 0.06 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 27.54 1pic h GLN 87 CO 0.00 0.00 0.00 -2.39 -0.00 0.00 0.00 178.83 176.44 1pic n HIS 88 N -4.28 0.00 -3.84 0.06 1.44 -0.67 -4.18 115.22 103.76 1pic n HIS 88 Ca 0.05 0.00 -0.35 0.00 -2.01 0.00 0.00 57.72 55.41 1pic n HIS 88 Cb 0.43 0.00 -0.05 0.00 0.12 0.00 0.00 29.99 30.48 1pic n HIS 88 CO 0.00 0.00 0.00 0.99 -2.81 0.00 0.00 176.34 174.52 1pic s THR 89 N -0.37 5.40 0.42 0.61 2.01 -0.82 -5.08 115.64 117.82 1pic s THR 89 Ca 0.00 0.09 -0.23 0.00 0.31 0.00 0.00 61.69 61.87 1pic s THR 89 Cb 0.00 -3.51 -0.09 0.00 0.01 0.00 0.00 72.50 68.91 1pic s THR 89 CO 0.00 0.44 1.03 -0.55 -0.69 0.00 0.00 174.62 174.85 1pic s SER 90 N -1.56 6.70 -0.19 3.53 0.15 -1.26 -4.60 113.70 116.47 1pic s SER 90 Ca 0.24 1.96 0.15 0.00 0.70 0.00 0.00 55.95 59.00 1pic s SER 90 Cb -0.13 -2.57 0.73 0.00 -1.71 0.00 0.00 66.02 62.34 1pic s SER 90 CO 0.13 -0.53 1.65 0.18 1.20 0.00 0.00 173.24 175.87 1pic n LEU 91 N -0.33 5.07 0.13 3.45 4.77 0.03 -4.31 117.00 125.80 1pic n LEU 91 Ca 0.06 -2.82 0.11 0.00 -0.03 0.00 0.00 56.01 53.33 1pic n LEU 91 Cb 0.51 -0.62 0.03 0.00 -2.33 0.00 0.00 43.42 41.01 1pic n LEU 91 CO 0.43 0.68 0.19 1.62 -1.33 0.00 0.00 177.39 178.98 1pic h VAL 92 N 3.51 0.06 -0.54 4.08 3.04 -1.81 -3.33 116.25 121.25 1pic h VAL 92 Ca 0.00 -1.10 0.16 0.00 -1.01 0.00 0.00 66.70 64.74 1pic h VAL 92 Cb 1.72 1.67 -0.02 0.00 -2.01 0.00 0.00 31.29 32.65 1pic h VAL 92 CO 0.37 0.03 0.80 -0.61 -1.01 0.00 0.00 177.57 177.15 1pic h GLN 93 N 0.00 0.00 0.00 4.17 4.15 -1.99 0.28 115.11 121.72 1pic h GLN 93 Ca -0.01 0.00 -0.33 0.00 0.77 0.00 0.00 58.65 59.08 1pic h GLN 93 Cb 1.05 0.00 -0.06 0.00 0.21 0.00 0.00 27.48 28.68 1pic h GLN 93 CO 0.01 0.00 -2.23 1.58 -1.93 0.00 0.00 178.83 176.26 1pic n HIS 94 N -3.26 0.00 -3.98 3.99 -0.00 -1.25 -4.95 115.22 105.77 1pic n HIS 94 Ca 0.11 0.00 -0.17 0.00 0.46 0.00 0.00 57.72 58.12 1pic n HIS 94 Cb 0.99 -0.87 -0.16 0.00 -0.12 0.00 0.00 29.99 29.82 1pic n HIS 94 CO 0.00 0.00 0.00 -0.80 0.46 0.00 0.00 176.34 176.00 1pic s ASN 95 N -5.34 0.51 0.00 0.26 0.01 0.99 -5.00 114.94 106.38 1pic s ASN 95 Ca -0.12 -0.05 0.23 0.00 -0.71 0.00 0.00 52.86 52.21 1pic s ASN 95 Cb 0.06 -0.26 1.33 0.00 0.41 0.00 0.00 41.25 42.79 1pic s ASN 95 CO 0.69 -0.09 1.74 0.47 -1.51 0.00 0.00 177.10 178.40 1pic n ASP 96 N 4.10 0.00 -0.82 -1.22 8.00 -1.25 -2.33 116.55 123.02 1pic n ASP 96 Ca -0.27 -0.62 0.08 0.00 0.71 0.00 0.00 54.79 54.69 1pic n ASP 96 Cb 0.50 -0.04 0.23 0.00 -0.02 0.00 0.00 41.12 41.79 1pic n ASP 96 CO 0.00 0.00 0.00 -1.20 -0.39 0.00 0.00 177.20 175.61 1pic n SER 97 N -1.04 3.60 0.00 -2.24 7.64 -1.26 -4.76 113.62 115.56 1pic n SER 97 Ca 0.16 -2.67 0.00 0.00 1.01 0.00 0.00 58.87 57.37 1pic n SER 97 Cb 0.09 -0.44 0.00 0.00 -1.01 0.00 0.00 64.21 62.85 1pic n SER 97 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 1pic n LEU 98 N -0.14 0.00 -3.70 -3.43 4.77 -0.99 -4.89 117.00 108.62 1pic n LEU 98 Ca 0.18 0.00 -0.28 0.00 -0.03 0.00 0.00 56.01 55.88 1pic n LEU 98 Cb 0.74 -0.07 -0.01 0.00 -2.33 0.00 0.00 43.42 41.75 1pic n LEU 98 CO 0.13 -0.12 -0.02 -3.20 -1.33 0.00 0.00 177.39 172.85 1pic n ASN 99 N -1.59 -3.52 -4.66 -1.43 5.15 -1.26 -4.74 115.26 103.20 1pic n ASN 99 Ca 0.00 -0.62 -0.26 0.00 -0.60 0.00 0.00 54.58 53.10 1pic n ASN 99 Cb 0.00 -2.90 -0.09 0.00 -0.53 0.00 0.00 39.78 36.26 1pic n ASN 99 CO 0.00 0.00 0.00 0.68 1.40 0.00 0.00 177.26 179.34 1pic s VAL 100 N -3.05 2.34 0.22 3.44 -7.23 -1.26 -4.76 120.40 110.09 1pic s VAL 100 Ca 0.54 -1.90 -0.19 0.00 -1.81 0.00 0.00 61.98 58.62 1pic s VAL 100 Cb -0.29 -2.91 0.03 0.00 0.56 0.00 0.00 36.38 33.78 1pic s VAL 100 CO 0.66 -0.08 0.59 0.42 -0.31 0.00 0.00 175.10 176.38 1pic s THR 101 N -2.60 0.01 -1.37 5.32 -4.23 -1.26 -0.79 115.64 110.72 1pic s THR 101 Ca 0.37 -0.73 -0.14 0.00 -1.18 0.00 0.00 61.69 60.01 1pic s THR 101 Cb 0.04 -1.62 0.08 0.00 1.34 0.00 0.00 72.50 72.34 1pic s THR 101 CO 0.20 -0.05 1.98 0.18 -0.54 0.00 0.00 174.62 176.39 1pic n LEU 102 N -0.39 6.19 -0.01 4.79 7.99 -1.17 -4.41 117.00 129.99 1pic n LEU 102 Ca -0.09 -4.18 0.11 0.00 -0.01 0.00 0.00 56.01 51.83 1pic n LEU 102 Cb 0.62 -1.65 -0.16 0.00 -0.11 0.00 0.00 43.42 42.11 1pic n LEU 102 CO 0.16 0.86 -0.73 0.00 -1.51 0.00 0.00 177.39 176.17 1pic n ALA 103 N 6.34 2.79 -3.65 -1.18 0.00 -0.96 -4.33 120.51 119.51 1pic n ALA 103 Ca 0.48 -0.51 -0.30 0.00 0.00 0.00 0.00 53.44 53.11 1pic n ALA 103 Cb 0.41 -0.76 -0.17 0.00 0.00 0.00 0.00 19.45 18.93 1pic n ALA 103 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.50 178.21 1pic s TYR 104 N -3.50 2.25 -0.16 0.00 2.02 -0.89 -5.00 117.35 112.07 1pic s TYR 104 Ca -0.08 -1.09 -0.29 0.00 -0.37 0.00 0.00 57.07 55.24 1pic s TYR 104 Cb 0.14 -1.58 -0.02 0.00 -0.40 0.00 0.00 41.96 40.10 1pic s TYR 104 CO 0.90 -0.53 1.30 -1.25 -1.57 0.00 0.00 175.55 174.40 1pic s PRO 105 N 0.91 4.21 0.26 -1.71 0.04 -1.26 -1.78 135.00 135.67 1pic s PRO 105 Ca -0.07 1.68 -0.05 0.00 0.04 0.00 0.00 61.00 62.60 1pic s PRO 105 Cb -0.15 -3.79 0.51 0.00 0.04 0.00 0.00 34.50 31.11 1pic s PRO 105 CO -0.02 -0.74 1.61 -0.24 0.04 0.00 0.00 177.00 177.66 1pic h VAL 106 N 5.53 0.24 0.00 -0.36 3.04 -1.51 -0.31 116.25 122.87 1pic h VAL 106 Ca -0.27 -0.03 0.00 0.00 -1.01 0.00 0.00 66.70 65.39 1pic h VAL 106 Cb 1.11 0.16 0.00 0.00 -2.01 0.00 0.00 31.29 30.55 1pic h VAL 106 CO 0.97 0.01 -1.46 -1.22 -1.01 0.00 0.00 177.57 174.87 1pic n TYR 107 N -5.40 0.04 -0.80 3.17 4.01 -0.95 -5.01 117.16 112.22 1pic n TYR 107 Ca 0.16 0.01 0.00 0.00 -0.16 0.00 0.00 57.90 57.91 1pic n TYR 107 Cb 0.54 -0.28 0.00 0.00 -0.31 0.00 0.00 39.34 39.29 1pic n TYR 107 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1pic n ALA 108 N -1.89 0.00 0.00 -0.72 0.00 -0.13 -4.88 120.51 112.89 1pic n ALA 108 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1pic n ALA 108 Cb 0.45 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.90 1pic n ALA 108 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 1pic n GLN 109 N -0.22 0.00 -0.36 0.00 1.13 -1.26 -4.76 117.38 111.91 1pic n GLN 109 Ca 0.00 0.00 0.06 0.00 -1.94 0.00 0.00 57.00 55.12 1pic n GLN 109 Cb 0.00 0.00 0.22 0.00 0.11 0.00 0.00 30.24 30.57 1pic n GLN 109 CO 0.00 0.00 0.00 1.04 -1.44 0.00 0.00 177.06 176.66 1pic n GLN 110 N 0.00 2.58 0.00 -1.09 1.13 -1.26 -4.66 117.38 114.08 1pic n GLN 110 Ca 0.00 -1.75 0.00 0.00 -1.94 0.00 0.00 57.00 53.31 1pic n GLN 110 Cb 0.00 -1.60 0.00 0.00 0.11 0.00 0.00 30.24 28.75 1pic n GLN 110 CO 0.00 0.00 0.00 -2.13 -1.44 0.00 0.00 177.06 173.49 1pic n ARG 111 N 0.65 0.00 0.00 -1.09 0.63 -1.26 -5.22 116.66 110.37 1pic n ARG 111 Ca 0.16 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 57.09 1pic n ARG 111 Cb 0.56 0.00 0.00 0.00 0.45 0.00 0.00 32.46 33.47 1pic n ARG 111 CO 0.00 0.00 0.00 0.54 -2.51 0.00 0.00 177.63 175.66