#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3dll s GLN 3 N 0.00 4.26 -0.40 0.00 2.00 -1.26 -4.51 119.66 119.75 3dll s GLN 3 Ca 0.00 2.15 -0.29 0.00 -2.00 0.00 0.00 55.36 55.22 3dll s GLN 3 Cb 0.00 -3.45 0.02 0.00 0.80 0.00 0.00 33.01 30.39 3dll s GLN 3 CO 0.00 -0.59 1.11 0.96 -0.50 0.00 0.00 175.29 176.26 3dll s ILE 4 N 1.99 4.36 0.84 -2.34 -4.36 -1.26 -3.92 121.20 116.51 3dll s ILE 4 Ca 0.68 1.49 -0.14 0.00 -0.26 0.00 0.00 60.65 62.42 3dll s ILE 4 Cb -0.37 -4.51 0.03 0.00 1.25 0.00 0.00 42.46 38.86 3dll s ILE 4 CO 0.30 -0.74 0.68 0.59 0.24 0.00 0.00 174.94 176.01 3dll n ASN 5 N 7.34 -0.90 0.00 4.36 5.03 -0.80 -4.64 115.26 125.65 3dll n ASN 5 Ca 0.12 0.48 0.00 0.00 0.87 0.00 0.00 54.58 56.05 3dll n ASN 5 Cb 0.48 -1.30 0.00 0.00 -1.02 0.00 0.00 39.78 37.94 3dll n ASN 5 CO 0.00 0.00 0.00 0.52 -1.83 0.00 0.00 177.26 175.95 3dll n VAL 6 N -3.17 0.00 -3.50 2.41 0.31 -1.26 -4.36 118.33 108.76 3dll n VAL 6 Ca 0.10 0.00 -0.38 0.00 -0.01 0.00 0.00 64.34 64.05 3dll n VAL 6 Cb 0.51 -0.48 -0.09 0.00 -0.91 0.00 0.00 33.84 32.87 3dll n VAL 6 CO 0.00 0.00 0.00 -0.63 -1.32 0.00 0.00 176.83 174.88 3dll s ILE 7 N -1.77 5.25 -1.36 2.52 -1.09 -1.26 -4.43 121.20 119.05 3dll s ILE 7 Ca 0.00 0.41 -0.04 0.00 -2.23 0.00 0.00 60.65 58.79 3dll s ILE 7 Cb 0.00 -3.62 0.02 0.00 -1.58 0.00 0.00 42.46 37.28 3dll s ILE 7 CO 0.00 0.24 0.33 0.61 -1.23 0.00 0.00 174.94 174.88 3dll n GLY 8 N 4.55 -0.50 0.00 6.18 0.00 -1.26 -3.12 105.19 111.05 3dll n GLY 8 Ca -0.11 0.07 0.00 0.00 0.00 0.00 0.00 46.02 45.97 3dll n GLY 8 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3dll n GLN 9 N -3.47 -0.54 -0.25 1.61 10.64 -1.26 -5.02 117.38 119.09 3dll n GLN 9 Ca -0.11 0.00 0.00 0.00 -1.83 0.00 0.00 57.00 55.06 3dll n GLN 9 Cb 0.60 0.00 0.00 0.00 -0.86 0.00 0.00 30.24 29.98 3dll n GLN 9 CO 0.00 0.00 0.00 -1.71 -1.83 0.00 0.00 177.06 173.52 3dll n ASN 10 N 0.59 0.00 -1.14 2.61 2.85 -1.26 -4.22 115.26 114.69 3dll n ASN 10 Ca 0.00 -0.73 0.00 0.00 -0.11 0.00 0.00 54.58 53.74 3dll n ASN 10 Cb 0.00 0.00 0.00 0.00 1.24 0.00 0.00 39.78 41.02 3dll n ASN 10 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 3dll n GLY 11 N 0.00 -3.38 0.00 8.20 0.00 -1.26 -3.97 105.19 104.78 3dll n GLY 11 Ca 0.00 -0.89 0.00 0.00 0.00 0.00 0.00 46.02 45.13 3dll n GLY 11 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3dll n GLY 12 N 0.14 2.57 0.06 -0.02 0.00 -1.25 -1.91 105.19 104.78 3dll n GLY 12 Ca 0.00 -0.45 0.04 0.00 0.00 0.00 0.00 46.02 45.61 3dll n GLY 12 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3dll n ARG 13 N 0.00 0.00 -0.52 1.61 3.00 -1.26 -3.66 116.66 115.83 3dll n ARG 13 Ca 0.00 0.09 -0.20 0.00 -0.01 0.00 0.00 57.85 57.73 3dll n ARG 13 Cb 0.00 -0.22 0.16 0.00 0.00 0.00 0.00 32.46 32.39 3dll n ARG 13 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.63 180.04 3dll n THR 14 N -1.90 0.00 -2.01 0.55 -1.04 -1.26 -3.67 114.28 104.95 3dll n THR 14 Ca 0.03 -0.06 0.00 0.00 -2.04 0.00 0.00 64.05 61.98 3dll n THR 14 Cb 0.16 -0.53 0.00 0.00 -1.82 0.00 0.00 70.33 68.15 3dll n THR 14 CO 0.00 0.00 0.00 -0.38 -0.64 0.00 0.00 175.07 174.05 3dll n ILE 15 N -4.48 -9.90 -2.94 12.58 2.08 -1.26 -2.99 119.36 112.45 3dll n ILE 15 Ca 0.06 2.95 -0.41 0.00 0.56 0.00 0.00 62.75 65.90 3dll n ILE 15 Cb 0.39 -4.42 -0.04 0.00 -0.75 0.00 0.00 39.64 34.82 3dll n ILE 15 CO 0.00 0.00 0.00 -1.61 0.56 0.00 0.00 176.55 175.50 3dll s GLU 16 N -1.04 4.31 -0.41 0.38 2.02 -1.26 -4.55 118.70 118.16 3dll s GLU 16 Ca 0.00 0.95 -0.16 0.00 0.02 0.00 0.00 54.97 55.78 3dll s GLU 16 Cb 0.00 -3.55 0.02 0.00 0.10 0.00 0.00 34.13 30.69 3dll s GLU 16 CO 0.00 -0.25 0.37 -0.51 0.02 0.00 0.00 175.26 174.89 3dll s LEU 17 N 1.88 4.91 0.00 1.80 2.01 -1.26 -5.00 118.68 123.01 3dll s LEU 17 Ca 0.37 -0.72 0.00 0.00 0.01 0.00 0.00 54.13 53.80 3dll s LEU 17 Cb -0.17 -2.28 0.00 0.00 0.01 0.00 0.00 46.19 43.75 3dll s LEU 17 CO 0.13 -0.49 0.00 -2.65 1.01 0.00 0.00 176.35 174.35 3dll n PRO 18 N 5.39 0.00 -3.29 1.29 -0.02 -1.26 -4.93 135.00 132.18 3dll n PRO 18 Ca -0.09 0.00 -0.38 0.00 -2.02 0.00 0.00 63.50 61.01 3dll n PRO 18 Cb 0.47 0.00 -0.06 0.00 -0.02 0.00 0.00 33.50 33.90 3dll n PRO 18 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 3dll s LEU 19 N 0.00 4.34 0.00 2.45 1.43 -1.26 -4.46 118.68 121.18 3dll s LEU 19 Ca 0.00 0.95 0.00 0.00 -1.03 0.00 0.00 54.13 54.05 3dll s LEU 19 Cb 0.00 -2.77 0.00 0.00 0.03 0.00 0.00 46.19 43.45 3dll s LEU 19 CO 0.00 0.06 0.00 -0.81 0.23 0.00 0.00 176.35 175.83 3dll n PRO 20 N 3.20 0.38 -1.21 1.29 -0.04 -1.26 -4.96 135.00 132.39 3dll n PRO 20 Ca -0.07 0.00 -0.39 0.00 -0.04 0.00 0.00 63.50 63.00 3dll n PRO 20 Cb 0.51 0.00 -0.03 0.00 -0.04 0.00 0.00 33.50 33.94 3dll n PRO 20 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 3dll n GLU 21 N 0.00 2.06 -1.50 0.54 1.02 -1.26 -4.85 120.64 116.65 3dll n GLU 21 Ca 0.00 -1.96 0.00 0.00 -0.02 0.00 0.00 57.16 55.18 3dll n GLU 21 Cb 0.00 -2.90 -0.00 0.00 -0.02 0.00 0.00 31.44 28.51 3dll n GLU 21 CO 0.00 0.00 0.00 0.28 1.18 0.00 0.00 177.13 178.59 3dll n VAL 22 N 5.30 -2.41 -3.42 2.62 0.31 -1.26 -4.93 118.33 114.54 3dll n VAL 22 Ca 0.51 1.21 -0.22 0.00 -0.01 0.00 0.00 64.34 65.83 3dll n VAL 22 Cb 0.34 -2.01 -0.10 0.00 -0.91 0.00 0.00 33.84 31.16 3dll n VAL 22 CO 0.00 0.00 0.00 0.21 -1.32 0.00 0.00 176.83 175.72 3dll s ASN 23 N -5.20 2.07 0.22 4.52 3.84 -1.26 -5.01 114.94 114.11 3dll s ASN 23 Ca 0.00 -1.61 -0.13 0.00 0.21 0.00 0.00 52.86 51.34 3dll s ASN 23 Cb 0.00 0.16 0.28 0.00 -0.55 0.00 0.00 41.25 41.13 3dll s ASN 23 CO 0.00 -0.32 1.37 -1.54 -2.79 0.00 0.00 177.10 173.82 3dll n SER 24 N 4.46 -0.48 -0.26 -4.21 3.41 -1.26 0.70 113.62 115.98 3dll n SER 24 Ca 0.07 1.53 0.04 0.00 -0.26 0.00 0.00 58.87 60.25 3dll n SER 24 Cb 0.42 -0.39 0.09 0.00 -0.26 0.00 0.00 64.21 64.08 3dll n SER 24 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3dll n GLY 25 N -1.46 -1.22 0.21 5.00 0.00 -1.26 0.49 105.19 106.94 3dll n GLY 25 Ca 0.11 0.76 0.10 0.00 0.00 0.00 0.00 46.02 46.99 3dll n GLY 25 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 3dll h VAL 26 N 0.00 0.21 -0.12 1.61 2.07 -0.16 -2.22 116.25 117.65 3dll h VAL 26 Ca 0.33 -1.21 -0.18 0.00 0.82 0.00 0.00 66.70 66.46 3dll h VAL 26 Cb 0.51 2.02 -0.00 0.00 -1.52 0.00 0.00 31.29 32.29 3dll h VAL 26 CO -0.73 0.12 -0.69 -0.07 0.02 0.00 0.00 177.57 176.22 3dll h LEU 27 N 0.00 0.59 0.00 2.57 -0.00 1.20 -3.03 115.31 116.63 3dll h LEU 27 Ca -0.00 -0.36 0.00 0.00 -0.00 0.00 0.00 57.88 57.51 3dll h LEU 27 Cb 1.01 -0.17 0.00 0.00 -0.00 0.00 0.00 40.66 41.50 3dll h LEU 27 CO 0.02 1.10 0.00 1.57 -0.00 0.00 0.00 178.44 181.13 3dll n HIS 28 N -3.89 0.00 -0.07 1.13 -0.00 0.66 -1.78 115.22 111.27 3dll n HIS 28 Ca -0.04 0.00 -0.02 0.00 0.46 0.00 0.00 57.72 58.12 3dll n HIS 28 Cb 0.68 0.00 -0.02 0.00 -0.12 0.00 0.00 29.99 30.54 3dll n HIS 28 CO 0.00 0.00 0.00 -1.91 0.46 0.00 0.00 176.34 174.89 3dll n GLU 29 N -0.74 -0.07 -0.35 1.57 2.13 -1.04 -0.46 120.64 121.68 3dll n GLU 29 Ca 0.00 0.62 0.06 0.00 0.66 0.00 0.00 57.16 58.50 3dll n GLU 29 Cb 0.00 -0.92 0.14 0.00 0.27 0.00 0.00 31.44 30.93 3dll n GLU 29 CO 0.00 0.00 0.00 0.28 -0.41 0.00 0.00 177.13 177.00 3dll n VAL 30 N -3.20 -0.41 0.00 6.31 0.31 -1.13 -0.06 118.33 120.15 3dll n VAL 30 Ca 0.00 2.24 -0.17 0.00 -0.01 0.00 0.00 64.34 66.40 3dll n VAL 30 Cb 0.04 -3.10 -0.11 0.00 -0.91 0.00 0.00 33.84 29.76 3dll n VAL 30 CO 0.00 0.00 0.00 -0.37 -1.32 0.00 0.00 176.83 175.14 3dll h VAL 31 N 0.00 1.44 -0.91 2.52 -1.51 0.06 -2.58 116.25 115.27 3dll h VAL 31 Ca 0.47 -2.07 0.25 0.00 -1.23 0.00 0.00 66.70 64.13 3dll h VAL 31 Cb 0.73 2.62 -0.15 0.00 -2.13 0.00 0.00 31.29 32.36 3dll h VAL 31 CO -1.00 0.60 0.20 0.74 -1.23 0.00 0.00 177.57 176.87 3dll h THR 32 N -0.15 0.22 -0.67 7.19 2.02 0.42 0.48 112.91 122.42 3dll h THR 32 Ca -0.07 -0.05 -0.06 0.00 0.77 0.00 0.00 66.41 67.00 3dll h THR 32 Cb 1.28 0.07 -0.03 0.00 -1.74 0.00 0.00 68.15 67.73 3dll h THR 32 CO 0.11 0.03 0.17 -0.25 0.37 0.00 0.00 175.52 175.95 3dll h TRP 33 N 0.14 1.10 -0.63 3.16 7.01 -0.35 -3.07 115.95 123.30 3dll h TRP 33 Ca 0.58 -0.12 -0.06 0.00 2.11 0.00 0.00 58.89 61.40 3dll h TRP 33 Cb 1.21 -0.31 -0.03 0.00 -2.10 0.00 0.00 29.16 27.93 3dll h TRP 33 CO -0.31 0.89 0.14 1.96 -2.79 0.00 0.00 178.44 178.33 3dll h GLN 34 N 1.00 1.00 0.15 2.65 4.20 0.35 -2.60 115.11 121.86 3dll h GLN 34 Ca 0.21 -0.23 0.00 0.00 0.06 0.00 0.00 58.65 58.70 3dll h GLN 34 Cb 0.34 -0.14 -0.02 0.00 0.30 0.00 0.00 27.48 27.96 3dll h GLN 34 CO -0.00 0.89 -0.32 -0.07 -0.67 0.00 0.00 178.83 178.66 3dll h LEU 35 N 0.95 -0.94 -0.17 1.46 3.38 -1.32 -1.86 115.31 116.81 3dll h LEU 35 Ca 0.20 0.09 0.02 0.00 0.09 0.00 0.00 57.88 58.28 3dll h LEU 35 Cb 0.36 0.34 -0.02 0.00 0.09 0.00 0.00 40.66 41.42 3dll h LEU 35 CO 0.00 -0.37 -0.10 0.00 0.09 0.00 0.00 178.44 178.07 3dll n ALA 36 N -2.70 -0.11 0.32 1.53 0.00 -0.99 0.44 120.51 119.01 3dll n ALA 36 Ca -0.06 0.14 0.15 0.00 0.00 0.00 0.00 53.44 53.68 3dll n ALA 36 Cb 0.26 0.02 0.62 0.00 0.00 0.00 0.00 19.45 20.36 3dll n ALA 36 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 3dll h SER 37 N 0.00 0.00 1.02 0.00 0.87 -1.45 -2.02 113.55 111.97 3dll h SER 37 Ca 0.03 0.00 -0.16 0.00 -1.23 0.00 0.00 61.79 60.42 3dll h SER 37 Cb 0.07 0.00 -0.03 0.00 -0.44 0.00 0.00 62.40 62.00 3dll h SER 37 CO -0.16 0.00 -1.05 0.03 -0.53 0.00 0.00 176.83 175.12 3dll h ARG 38 N 0.00 0.00 -6.93 2.24 3.08 1.00 -3.46 114.38 110.31 3dll h ARG 38 Ca 0.00 0.00 -0.51 0.00 0.07 0.00 0.00 59.98 59.54 3dll h ARG 38 Cb 0.46 0.00 0.05 0.00 0.08 0.00 0.00 29.97 30.56 3dll h ARG 38 CO 0.00 0.49 0.51 0.50 -1.07 0.00 0.00 179.97 180.41 3dll s ARG 39 N -2.87 4.10 -0.26 0.04 3.52 0.33 -5.03 118.95 118.78 3dll s ARG 39 Ca 0.00 1.87 0.01 0.00 -0.13 0.00 0.00 55.73 57.48 3dll s ARG 39 Cb 0.08 -2.73 0.07 0.00 -1.56 0.00 0.00 34.95 30.82 3dll s ARG 39 CO 0.79 -0.29 -0.04 0.50 -0.81 0.00 0.00 175.30 175.45 3dll s ARG 40 N -2.23 1.66 -0.95 5.12 3.52 -1.26 -4.75 118.95 120.06 3dll s ARG 40 Ca 0.56 -1.17 -0.24 0.00 -0.13 0.00 0.00 55.73 54.75 3dll s ARG 40 Cb -0.31 -2.68 -0.06 0.00 -1.56 0.00 0.00 34.95 30.34 3dll s ARG 40 CO 0.40 -0.66 1.97 0.20 -0.81 0.00 0.00 175.30 176.40 3dll s GLY 41 N 1.30 0.11 0.00 8.12 0.00 -1.04 -4.45 107.32 111.36 3dll s GLY 41 Ca -0.03 -1.58 0.00 0.00 0.00 0.00 0.00 44.72 43.11 3dll s GLY 41 CO -0.07 3.55 0.08 -1.30 0.00 0.00 0.00 173.10 175.35 3dll n THR 42 N 7.93 0.00 -2.35 0.90 -2.24 -1.26 -2.69 114.28 114.57 3dll n THR 42 Ca 0.41 -0.25 -0.38 0.00 -2.27 0.00 0.00 64.05 61.57 3dll n THR 42 Cb 0.47 1.16 -0.03 0.00 -2.10 0.00 0.00 70.33 69.82 3dll n THR 42 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3dll s ALA 43 N -0.34 2.42 0.12 6.98 0.00 -1.26 -4.83 121.76 124.85 3dll s ALA 43 Ca 0.00 -1.44 0.11 0.00 0.00 0.00 0.00 51.96 50.62 3dll s ALA 43 Cb 0.00 -4.39 -0.04 0.00 0.00 0.00 0.00 23.12 18.70 3dll s ALA 43 CO 0.00 -3.77 -0.26 -1.54 0.00 0.00 0.00 175.76 170.18 3dll s SER 44 N 5.80 3.24 0.15 0.00 1.04 -1.25 -3.86 113.70 118.81 3dll s SER 44 Ca 0.51 -0.72 0.10 0.00 0.48 0.00 0.00 55.95 56.32 3dll s SER 44 Cb -0.07 -0.22 -0.04 0.00 0.10 0.00 0.00 66.02 65.79 3dll s SER 44 CO 0.08 0.18 -0.23 0.28 0.98 0.00 0.00 173.24 174.53 3dll s THR 45 N -1.03 2.06 0.00 2.02 -1.32 0.87 -4.92 115.64 113.31 3dll s THR 45 Ca 0.13 -1.82 0.00 0.00 -1.21 0.00 0.00 61.69 58.79 3dll s THR 45 Cb -0.10 -1.89 0.00 0.00 -1.51 0.00 0.00 72.50 69.00 3dll s THR 45 CO 0.05 -0.09 0.73 0.54 -2.21 0.00 0.00 174.62 173.64 3dll n ARG 46 N 0.64 0.48 0.00 7.08 5.12 -1.26 -4.72 116.66 124.00 3dll n ARG 46 Ca -0.16 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 55.76 3dll n ARG 46 Cb 0.55 -1.26 0.00 0.00 -1.16 0.00 0.00 32.46 30.59 3dll n ARG 46 CO 0.00 0.00 0.00 2.41 -1.93 0.00 0.00 177.63 178.11 3dll n THR 47 N 1.27 0.00 -0.14 0.55 -1.04 -1.26 -4.20 114.28 109.46 3dll n THR 47 Ca 0.00 0.00 -0.06 0.00 -2.04 0.00 0.00 64.05 61.95 3dll n THR 47 Cb 0.24 0.00 -0.01 0.00 -1.82 0.00 0.00 70.33 68.74 3dll n THR 47 CO 0.00 0.00 0.00 0.54 -0.64 0.00 0.00 175.07 174.97 3dll n ARG 48 N 0.00 0.00 0.00 -2.82 3.00 -1.26 -1.97 116.66 113.61 3dll n ARG 48 Ca 0.00 0.00 0.01 0.00 -0.01 0.00 0.00 57.85 57.85 3dll n ARG 48 Cb 0.00 -0.14 0.07 0.00 0.00 0.00 0.00 32.46 32.39 3dll n ARG 48 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 3dll n ALA 49 N 0.13 1.55 -0.06 7.54 0.00 -1.26 -1.72 120.51 126.68 3dll n ALA 49 Ca 0.02 -0.01 -0.09 0.00 0.00 0.00 0.00 53.44 53.35 3dll n ALA 49 Cb 0.01 -1.04 -0.06 0.00 0.00 0.00 0.00 19.45 18.36 3dll n ALA 49 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.50 178.44 3dll n GLN 50 N -1.04 0.31 0.00 0.00 7.27 -1.26 -4.55 117.38 118.10 3dll n GLN 50 Ca 0.02 0.08 0.00 0.00 0.07 0.00 0.00 57.00 57.17 3dll n GLN 50 Cb 0.01 -1.21 0.00 0.00 2.41 0.00 0.00 30.24 31.45 3dll n GLN 50 CO 0.00 0.00 0.00 1.33 0.07 0.00 0.00 177.06 178.46 3dll n VAL 51 N -2.96 0.30 -1.52 1.69 0.24 -0.70 -4.53 118.33 110.85 3dll n VAL 51 Ca -0.22 0.17 0.00 0.00 -2.04 0.00 0.00 64.34 62.25 3dll n VAL 51 Cb 0.73 -1.17 0.00 0.00 -1.47 0.00 0.00 33.84 31.93 3dll n VAL 51 CO 0.00 0.00 0.00 -1.54 -2.14 0.00 0.00 176.83 173.15 3dll n SER 52 N -0.89 0.00 -3.96 -1.34 3.41 -1.26 -5.00 113.62 104.58 3dll n SER 52 Ca 0.00 0.00 -0.29 0.00 -0.26 0.00 0.00 58.87 58.32 3dll n SER 52 Cb 0.10 0.00 -0.17 0.00 -0.26 0.00 0.00 64.21 63.88 3dll n SER 52 CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 3dll s LYS 53 N 2.35 1.88 -0.24 4.33 -0.14 -1.26 -5.12 119.74 121.54 3dll s LYS 53 Ca 0.00 -0.49 -0.26 0.00 -1.36 0.00 0.00 55.97 53.86 3dll s LYS 53 Cb 0.00 -1.96 0.11 0.00 -1.68 0.00 0.00 37.83 34.30 3dll s LYS 53 CO 0.00 -0.30 0.97 0.99 -0.76 0.00 0.00 175.35 176.25 3dll s THR 54 N 1.57 0.00 0.00 2.17 2.01 -1.26 -5.05 115.64 115.08 3dll s THR 54 Ca 0.04 0.00 0.00 0.00 0.31 0.00 0.00 61.69 62.04 3dll s THR 54 Cb -0.13 -1.00 0.00 0.00 0.01 0.00 0.00 72.50 71.38 3dll s THR 54 CO -0.09 0.00 0.00 0.61 -0.69 0.00 0.00 174.62 174.45 3dll n GLY 55 N 1.89 -3.47 0.00 4.40 0.00 -1.26 -5.03 105.19 101.72 3dll n GLY 55 Ca -0.13 -1.17 0.00 0.00 0.00 0.00 0.00 46.02 44.72 3dll n GLY 55 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3dll n ARG 56 N -0.30 0.00 -2.38 1.61 5.12 -1.26 -4.76 116.66 114.69 3dll n ARG 56 Ca 0.00 0.00 -0.22 0.00 -1.93 0.00 0.00 57.85 55.70 3dll n ARG 56 Cb 0.00 -0.26 0.01 0.00 -1.16 0.00 0.00 32.46 31.06 3dll n ARG 56 CO 0.00 0.00 0.00 1.63 -1.93 0.00 0.00 177.63 177.33 3dll n LYS 57 N 0.00 3.08 0.00 5.56 5.02 -1.26 -4.48 118.16 126.08 3dll n LYS 57 Ca 0.00 -4.17 0.00 0.00 -2.02 0.00 0.00 58.31 52.12 3dll n LYS 57 Cb 0.15 -2.09 0.00 0.00 -0.02 0.00 0.00 35.03 33.07 3dll n LYS 57 CO 0.00 0.00 0.00 -0.12 -0.52 0.00 0.00 177.40 176.76 3dll n MET 58 N -0.52 0.00 0.00 1.97 0.00 -1.20 -4.90 117.12 112.47 3dll n MET 58 Ca 0.34 0.00 0.00 0.00 -0.00 0.00 0.00 57.70 58.04 3dll n MET 58 Cb 0.79 0.00 0.00 0.00 0.00 0.00 0.00 33.22 34.01 3dll n MET 58 CO 0.00 0.00 0.00 0.98 0.00 0.00 0.00 175.97 176.95 3dll n TYR 59 N 0.00 0.00 -0.85 1.12 9.36 -1.26 -5.13 117.16 120.40 3dll n TYR 59 Ca 0.00 0.00 -0.29 0.00 3.32 0.00 0.00 57.90 60.93 3dll n TYR 59 Cb 0.00 0.00 0.19 0.00 -0.63 0.00 0.00 39.34 38.90 3dll n TYR 59 CO 0.00 0.00 0.00 0.20 0.22 0.00 0.00 176.86 177.28 3dll s GLY 60 N 0.00 1.60 -0.21 2.98 0.00 -1.26 -4.94 107.32 105.49 3dll s GLY 60 Ca 0.00 0.04 0.04 0.00 0.00 0.00 0.00 44.72 44.80 3dll s GLY 60 CO 0.00 0.61 -0.15 -0.18 0.00 0.00 0.00 173.10 173.37 3dll n GLN 61 N -4.36 0.66 -3.78 2.90 -0.06 -1.26 -4.67 117.38 106.80 3dll n GLN 61 Ca 0.06 0.11 -0.11 0.00 -2.00 0.00 0.00 57.00 55.06 3dll n GLN 61 Cb 0.54 -1.44 -0.08 0.00 -4.06 0.00 0.00 30.24 25.20 3dll n GLN 61 CO 0.00 0.00 0.00 0.21 -0.20 0.00 0.00 177.06 177.07 3dll s LYS 62 N -2.44 0.79 0.00 3.69 2.36 -1.26 -4.63 119.74 118.25 3dll s LYS 62 Ca -0.26 -0.57 0.00 0.00 -2.55 0.00 0.00 55.97 52.59 3dll s LYS 62 Cb 0.07 0.34 0.00 0.00 -1.05 0.00 0.00 37.83 37.19 3dll s LYS 62 CO 0.54 -0.25 0.00 0.41 1.55 0.00 0.00 175.35 177.61 3dll n GLY 63 N 0.55 1.10 0.01 5.54 0.00 -1.26 -4.79 105.19 106.35 3dll n GLY 63 Ca -0.18 0.00 0.14 0.00 0.00 0.00 0.00 46.02 45.98 3dll n GLY 63 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3dll n THR 64 N -2.00 0.00 -2.14 2.61 -2.24 -1.26 -4.96 114.28 104.29 3dll n THR 64 Ca 0.00 -0.01 0.00 0.00 -2.27 0.00 0.00 64.05 61.77 3dll n THR 64 Cb 0.00 -0.39 0.00 0.00 -2.10 0.00 0.00 70.33 67.84 3dll n THR 64 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3dll n GLY 65 N 1.41 -5.40 2.39 3.38 0.00 -1.26 -4.85 105.19 100.86 3dll n GLY 65 Ca 0.10 -0.02 -0.04 0.00 0.00 0.00 0.00 46.02 46.06 3dll n GLY 65 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3dll n ASN 66 N 1.55 -2.94 0.00 1.61 3.02 -1.26 -5.04 115.26 112.20 3dll n ASN 66 Ca 0.00 1.34 0.00 0.00 -0.03 0.00 0.00 54.58 55.89 3dll n ASN 66 Cb 0.00 -4.80 0.00 0.00 -0.61 0.00 0.00 39.78 34.37 3dll n ASN 66 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3dll n ALA 67 N 1.56 0.00 -1.50 5.41 0.00 -1.26 -5.10 120.51 119.62 3dll n ALA 67 Ca -0.27 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.17 3dll n ALA 67 Cb 0.42 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.87 3dll n ALA 67 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.50 175.37 3dll n ARG 68 N 0.00 0.00 -3.70 0.00 0.63 -1.26 -5.13 116.66 107.19 3dll n ARG 68 Ca 0.00 0.50 -0.11 0.00 -0.92 0.00 0.00 57.85 57.32 3dll n ARG 68 Cb 0.00 -1.14 -0.10 0.00 0.45 0.00 0.00 32.46 31.67 3dll n ARG 68 CO 0.00 0.00 0.00 -1.01 -2.51 0.00 0.00 177.63 174.11 3dll s HIS 69 N -0.28 -0.58 0.00 -0.14 3.76 -1.26 -5.12 115.29 111.67 3dll s HIS 69 Ca 0.00 1.29 0.00 0.00 -0.15 0.00 0.00 55.06 56.20 3dll s HIS 69 Cb 0.00 0.25 0.00 0.00 1.11 0.00 0.00 32.58 33.94 3dll s HIS 69 CO 0.00 -0.31 0.00 0.41 -0.85 0.00 0.00 174.74 173.99 3dll n GLY 70 N 3.72 -0.73 3.92 -2.22 0.00 -1.26 -4.61 105.19 104.01 3dll n GLY 70 Ca -0.19 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.62 3dll n GLY 70 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3dll s ASP 71 N -1.65 5.75 -0.46 1.61 3.68 -1.26 -3.25 116.67 121.09 3dll s ASP 71 Ca 0.00 -0.26 -0.04 0.00 2.13 0.00 0.00 52.55 54.39 3dll s ASP 71 Cb 0.00 -1.26 0.06 0.00 -1.45 0.00 0.00 42.92 40.26 3dll s ASP 71 CO 0.00 -0.31 2.79 -1.14 0.13 0.00 0.00 175.17 176.64 3dll n ARG 72 N -1.47 2.43 0.00 4.34 0.63 -1.26 -3.89 116.66 117.44 3dll n ARG 72 Ca -0.03 -2.34 0.00 0.00 -0.92 0.00 0.00 57.85 54.56 3dll n ARG 72 Cb 0.58 -2.15 0.00 0.00 0.45 0.00 0.00 32.46 31.34 3dll n ARG 72 CO 0.00 0.00 0.00 -1.13 -2.51 0.00 0.00 177.63 173.99 3dll n SER 73 N 0.92 0.53 -3.97 6.15 3.41 -1.26 -4.84 113.62 114.56 3dll n SER 73 Ca 0.49 -0.03 -0.28 0.00 -0.26 0.00 0.00 58.87 58.80 3dll n SER 73 Cb 0.55 0.16 0.10 0.00 -0.26 0.00 0.00 64.21 64.76 3dll n SER 73 CO 0.00 0.00 0.00 1.33 -0.16 0.00 0.00 175.04 176.21 3dll n VAL 74 N -0.21 0.00 0.24 -3.33 0.24 -1.25 0.86 118.33 114.88 3dll n VAL 74 Ca 0.00 -0.10 0.14 0.00 -2.04 0.00 0.00 64.34 62.33 3dll n VAL 74 Cb 0.00 -0.30 0.35 0.00 -1.47 0.00 0.00 33.84 32.41 3dll n VAL 74 CO 0.00 0.00 0.00 -0.65 -2.14 0.00 0.00 176.83 174.04 3dll h PRO 75 N -1.84 0.00 0.00 7.34 0.11 -1.94 -2.22 132.00 133.45 3dll h PRO 75 Ca -0.36 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.75 3dll h PRO 75 Cb 1.08 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.19 3dll h PRO 75 CO 0.23 0.00 0.00 0.25 -0.21 0.00 0.00 178.00 178.27 3dll n THR 76 N -3.09 0.32 -2.35 -1.15 -2.24 -1.26 -4.73 114.28 99.78 3dll n THR 76 Ca 0.03 -0.00 -0.26 0.00 -2.27 0.00 0.00 64.05 61.55 3dll n THR 76 Cb 0.45 -0.64 0.14 0.00 -2.10 0.00 0.00 70.33 68.19 3dll n THR 76 CO 0.00 0.00 0.00 -0.36 -0.57 0.00 0.00 175.07 174.14 3dll s PHE 77 N -3.04 1.44 -0.19 4.78 0.40 -1.23 -5.06 117.98 115.09 3dll s PHE 77 Ca 0.12 -0.10 -0.05 0.00 -0.60 0.00 0.00 56.93 56.29 3dll s PHE 77 Cb 0.16 -3.43 -0.03 0.00 0.51 0.00 0.00 43.02 40.22 3dll s PHE 77 CO 0.49 -2.14 0.01 0.08 0.70 0.00 0.00 175.22 174.36 3dll s VAL 78 N -3.45 4.11 0.00 -0.44 1.01 -1.26 -4.46 120.40 115.92 3dll s VAL 78 Ca 0.70 -0.27 0.00 0.00 0.00 0.00 0.00 61.98 62.42 3dll s VAL 78 Cb -0.04 -2.85 0.00 0.00 0.00 0.00 0.00 36.38 33.49 3dll s VAL 78 CO 0.48 0.45 0.00 0.61 0.00 0.00 0.00 175.10 176.64 3dll n GLY 79 N 3.96 0.72 0.00 4.51 0.00 -1.26 -5.04 105.19 108.07 3dll n GLY 79 Ca -0.17 -0.39 0.00 0.00 0.00 0.00 0.00 46.02 45.46 3dll n GLY 79 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3dll n GLY 80 N -1.02 3.21 3.85 -0.02 0.00 -1.26 -4.93 105.19 105.01 3dll n GLY 80 Ca 0.00 -0.24 -0.37 0.00 0.00 0.00 0.00 46.02 45.41 3dll n GLY 80 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3dll s GLY 81 N 0.00 2.42 -0.39 -0.02 0.00 0.25 -4.91 107.32 104.67 3dll s GLY 81 Ca 0.00 -0.29 -0.22 0.00 0.00 0.00 0.00 44.72 44.22 3dll s GLY 81 CO 0.00 0.03 0.70 0.14 0.00 0.00 0.00 173.10 173.96 3dll s VAL 82 N -1.17 4.80 0.52 1.40 1.01 -0.83 -3.95 120.40 122.18 3dll s VAL 82 Ca 0.26 0.54 -0.18 0.00 0.00 0.00 0.00 61.98 62.60 3dll s VAL 82 Cb -0.16 -4.17 -0.07 0.00 0.00 0.00 0.00 36.38 31.98 3dll s VAL 82 CO 0.14 -0.46 1.02 0.00 0.00 0.00 0.00 175.10 175.81 3dll s ALA 83 N 2.91 2.89 0.00 5.51 0.00 -1.26 -4.10 121.76 127.72 3dll s ALA 83 Ca 0.27 0.41 0.00 0.00 0.00 0.00 0.00 51.96 52.64 3dll s ALA 83 Cb -0.14 -3.20 0.00 0.00 0.00 0.00 0.00 23.12 19.78 3dll s ALA 83 CO 0.17 -0.42 0.00 1.19 0.00 0.00 0.00 175.76 176.71 3dll n PHE 84 N -1.43 0.00 -0.06 0.00 0.99 -1.26 -4.84 117.46 110.86 3dll n PHE 84 Ca 0.08 0.00 0.00 0.00 -0.00 0.00 0.00 57.45 57.53 3dll n PHE 84 Cb 0.53 0.00 0.00 0.00 -1.00 0.00 0.00 39.48 39.01 3dll n PHE 84 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.76 177.17 3dll n GLY 85 N -0.54 -1.73 3.75 1.37 0.00 -1.26 -5.03 105.19 101.75 3dll n GLY 85 Ca 0.00 -1.48 -0.36 0.00 0.00 0.00 0.00 46.02 44.19 3dll n GLY 85 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3dll s PRO 86 N -0.27 3.35 0.29 1.61 0.04 -1.26 -4.95 135.00 133.81 3dll s PRO 86 Ca 0.00 -0.29 0.10 0.00 0.04 0.00 0.00 61.00 60.86 3dll s PRO 86 Cb 0.00 -3.03 -0.05 0.00 0.04 0.00 0.00 34.50 31.46 3dll s PRO 86 CO 0.00 0.65 -0.16 0.15 0.04 0.00 0.00 177.00 177.68 3dll s LYS 87 N -0.70 1.66 0.46 4.56 -0.14 -1.25 0.30 119.74 124.62 3dll s LYS 87 Ca 0.12 -1.79 -0.24 0.00 -1.36 0.00 0.00 55.97 52.70 3dll s LYS 87 Cb -0.12 -1.62 -0.09 0.00 -1.68 0.00 0.00 37.83 34.32 3dll s LYS 87 CO 0.02 0.24 1.20 -2.30 -0.76 0.00 0.00 175.35 173.76 3dll n PRO 88 N -0.63 1.67 -3.61 -1.68 -0.02 -1.26 -4.73 135.00 124.73 3dll n PRO 88 Ca -0.05 0.60 -0.01 0.00 -2.02 0.00 0.00 63.50 62.01 3dll n PRO 88 Cb 0.61 -2.32 -0.01 0.00 -0.02 0.00 0.00 33.50 31.76 3dll n PRO 88 CO 0.00 0.00 0.00 -0.98 1.98 0.00 0.00 175.50 176.50 3dll s ARG 89 N -2.33 0.16 0.06 -0.52 1.70 -1.09 -5.01 118.95 111.93 3dll s ARG 89 Ca 0.65 -0.07 0.00 0.00 -0.47 0.00 0.00 55.73 55.84 3dll s ARG 89 Cb -0.49 0.07 -0.04 0.00 -0.57 0.00 0.00 34.95 33.91 3dll s ARG 89 CO 0.55 -0.07 0.20 0.45 -1.08 0.00 0.00 175.30 175.35 3dll s SER 90 N -2.34 6.28 -0.00 -2.89 0.15 -1.26 -2.49 113.70 111.14 3dll s SER 90 Ca 0.12 0.24 0.02 0.00 0.70 0.00 0.00 55.95 57.03 3dll s SER 90 Cb 0.01 -1.91 -0.02 0.00 -1.71 0.00 0.00 66.02 62.38 3dll s SER 90 CO -0.04 0.17 0.07 0.00 1.20 0.00 0.00 173.24 174.63 3dll n TYR 91 N 0.29 0.00 -1.66 3.44 9.36 -1.26 -5.02 117.16 122.31 3dll n TYR 91 Ca -0.05 0.00 -0.52 0.00 3.32 0.00 0.00 57.90 60.65 3dll n TYR 91 Cb 0.51 -0.02 -0.06 0.00 -0.63 0.00 0.00 39.34 39.15 3dll n TYR 91 CO 0.00 0.00 0.00 -3.47 0.22 0.00 0.00 176.86 173.61 3dll n ASP 92 N -1.24 2.48 -3.84 2.98 4.64 -1.26 -4.78 116.55 115.53 3dll n ASP 92 Ca 0.00 1.07 -0.12 0.00 -1.38 0.00 0.00 54.79 54.36 3dll n ASP 92 Cb 0.04 -1.25 -0.12 0.00 -1.04 0.00 0.00 41.12 38.75 3dll n ASP 92 CO 0.00 0.00 0.00 -0.72 -0.82 0.00 0.00 177.20 175.66 3dll s TYR 93 N 2.25 -0.10 -0.12 -0.67 -0.85 -1.26 -5.01 117.35 111.59 3dll s TYR 93 Ca 0.90 0.23 -0.25 0.00 -0.52 0.00 0.00 57.07 57.42 3dll s TYR 93 Cb -0.90 0.02 -0.02 0.00 0.38 0.00 0.00 41.96 41.44 3dll s TYR 93 CO 0.52 -0.15 0.81 0.95 -1.52 0.00 0.00 175.55 176.16 3dll s THR 94 N -0.42 4.93 -0.07 -3.49 -4.23 -1.26 -4.93 115.64 106.17 3dll s THR 94 Ca -0.05 1.62 -0.25 0.00 -1.18 0.00 0.00 61.69 61.83 3dll s THR 94 Cb -0.03 -4.13 -0.03 0.00 1.34 0.00 0.00 72.50 69.65 3dll s THR 94 CO 0.01 0.10 0.79 -0.22 -0.54 0.00 0.00 174.62 174.76 3dll s LEU 95 N 1.66 4.31 -0.44 4.79 0.20 -1.26 -4.94 118.68 123.00 3dll s LEU 95 Ca 0.39 1.30 -0.41 0.00 0.69 0.00 0.00 54.13 56.11 3dll s LEU 95 Cb -0.17 -3.23 -0.17 0.00 -0.43 0.00 0.00 46.19 42.19 3dll s LEU 95 CO 0.16 -0.19 1.45 -2.65 -0.29 0.00 0.00 176.35 174.82 3dll n PRO 96 N 4.03 0.00 -0.14 0.98 -0.02 -1.26 -4.57 135.00 134.02 3dll n PRO 96 Ca 0.01 0.00 -0.04 0.00 -2.02 0.00 0.00 63.50 61.46 3dll n PRO 96 Cb 0.51 -1.31 -0.03 0.00 -0.02 0.00 0.00 33.50 32.64 3dll n PRO 96 CO 0.00 0.00 0.00 -2.13 1.98 0.00 0.00 175.50 175.35 3dll n ARG 97 N 3.80 -0.14 -0.02 -0.52 0.63 -1.26 0.26 116.66 119.41 3dll n ARG 97 Ca 0.29 1.04 0.23 0.00 -0.92 0.00 0.00 57.85 58.50 3dll n ARG 97 Cb -0.05 -1.55 0.65 0.00 0.45 0.00 0.00 32.46 31.96 3dll n ARG 97 CO 0.00 0.00 0.00 1.96 -2.51 0.00 0.00 177.63 177.08 3dll h GLN 98 N 0.00 0.00 0.11 -0.14 4.20 -1.99 1.41 115.11 118.71 3dll h GLN 98 Ca 0.05 0.00 -0.28 0.00 0.06 0.00 0.00 58.65 58.48 3dll h GLN 98 Cb 0.13 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 27.91 3dll h GLN 98 CO -0.31 0.00 -1.34 0.28 -0.67 0.00 0.00 178.83 176.79 3dll h VAL 99 N 0.00 1.37 0.00 -0.54 2.07 -0.52 -0.07 116.25 118.57 3dll h VAL 99 Ca 0.30 -2.98 0.00 0.00 0.82 0.00 0.00 66.70 64.84 3dll h VAL 99 Cb 1.71 2.86 0.00 0.00 -1.52 0.00 0.00 31.29 34.34 3dll h VAL 99 CO -0.00 0.86 0.00 0.54 0.02 0.00 0.00 177.57 178.99 3dll n ARG 100 N -3.48 0.04 0.00 1.57 1.74 0.46 0.43 116.66 117.42 3dll n ARG 100 Ca -0.11 0.23 0.00 0.00 -0.77 0.00 0.00 57.85 57.20 3dll n ARG 100 Cb 1.03 -1.56 0.00 0.00 -1.02 0.00 0.00 32.46 30.90 3dll n ARG 100 CO 0.00 0.00 0.00 1.04 -1.52 0.00 0.00 177.63 177.15 3dll n GLN 101 N -1.63 0.00 -0.12 5.56 1.13 0.21 -3.81 117.38 118.71 3dll n GLN 101 Ca 0.04 0.33 0.24 0.00 -1.94 0.00 0.00 57.00 55.66 3dll n GLN 101 Cb 0.22 -0.81 0.40 0.00 0.11 0.00 0.00 30.24 30.15 3dll n GLN 101 CO 0.00 0.00 0.00 1.25 -1.44 0.00 0.00 177.06 176.87 3dll h LEU 102 N 0.00 0.00 0.00 1.08 6.46 -0.88 -3.11 115.31 118.85 3dll h LEU 102 Ca 0.00 0.00 0.00 0.00 -0.12 0.00 0.00 57.88 57.76 3dll h LEU 102 Cb 0.00 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 39.93 3dll h LEU 102 CO 0.00 0.00 0.00 0.61 -0.62 0.00 0.00 178.44 178.43 3dll n GLY 103 N -1.68 -0.47 0.35 3.75 0.00 0.17 -2.13 105.19 105.19 3dll n GLY 103 Ca 0.19 0.00 0.15 0.00 0.00 0.00 0.00 46.02 46.36 3dll n GLY 103 CO 0.00 0.00 0.00 0.17 0.00 0.00 0.00 173.32 173.49 3dll h LEU 104 N 0.00 0.18 -0.89 0.99 -0.00 -1.76 -0.29 115.31 113.54 3dll h LEU 104 Ca 0.00 0.01 0.16 0.00 -0.00 0.00 0.00 57.88 58.04 3dll h LEU 104 Cb 0.00 -0.03 -0.16 0.00 -0.00 0.00 0.00 40.66 40.47 3dll h LEU 104 CO 0.00 0.11 -0.28 0.00 -0.00 0.00 0.00 178.44 178.26 3dll n ALA 105 N -2.57 0.06 0.22 0.17 0.00 -1.13 0.50 120.51 117.75 3dll n ALA 105 Ca 0.09 0.94 0.11 0.00 0.00 0.00 0.00 53.44 54.57 3dll n ALA 105 Cb 0.44 -0.50 0.36 0.00 0.00 0.00 0.00 19.45 19.75 3dll n ALA 105 CO 0.00 0.00 0.00 1.98 0.00 0.00 0.00 177.50 179.48 3dll h MET 106 N 0.00 0.00 0.37 0.00 1.85 -0.51 -1.42 114.93 115.22 3dll h MET 106 Ca 0.37 0.00 -0.02 0.00 -0.61 0.00 0.00 59.70 59.44 3dll h MET 106 Cb 0.59 0.00 0.00 0.00 0.43 0.00 0.00 31.60 32.63 3dll h MET 106 CO -0.90 0.17 -0.18 0.00 -0.40 0.00 0.00 176.91 175.61 3dll h ALA 107 N 1.83 -0.56 -0.30 0.39 0.00 1.18 0.25 119.26 122.04 3dll h ALA 107 Ca -0.00 -0.11 0.03 0.00 0.00 0.00 0.00 54.91 54.83 3dll h ALA 107 Cb 0.88 0.19 -0.05 0.00 0.00 0.00 0.00 17.79 18.81 3dll h ALA 107 CO 0.02 -0.53 -0.30 0.82 0.00 0.00 0.00 179.25 179.27 3dll h ILE 108 N -0.98 0.00 -0.96 0.00 1.08 0.34 0.23 117.51 117.22 3dll h ILE 108 Ca -0.05 0.00 0.31 0.00 -0.39 0.00 0.00 64.86 64.73 3dll h ILE 108 Cb 0.38 0.00 -0.16 0.00 -3.07 0.00 0.00 36.82 33.97 3dll h ILE 108 CO 0.08 0.00 0.39 0.00 -0.69 0.00 0.00 178.15 177.93 3dll h ALA 109 N -0.52 1.68 -0.47 1.87 0.00 -1.31 0.22 119.26 120.74 3dll h ALA 109 Ca 0.05 0.23 -0.01 0.00 0.00 0.00 0.00 54.91 55.19 3dll h ALA 109 Cb 0.28 0.29 -0.02 0.00 0.00 0.00 0.00 17.79 18.35 3dll h ALA 109 CO -0.36 -0.61 0.27 0.77 0.00 0.00 0.00 179.25 179.31 3dll h SER 110 N 0.19 0.57 -0.08 0.00 0.02 0.28 -1.76 113.55 112.78 3dll h SER 110 Ca 0.68 -0.08 -0.02 0.00 -0.84 0.00 0.00 61.79 61.54 3dll h SER 110 Cb 1.55 -0.15 -0.00 0.00 0.14 0.00 0.00 62.40 63.94 3dll h SER 110 CO -0.69 0.48 -0.02 0.03 -1.14 0.00 0.00 176.83 175.49 3dll h ARG 111 N 0.62 0.16 -0.25 3.45 2.47 0.12 -2.45 114.38 118.50 3dll h ARG 111 Ca 0.17 -0.06 0.00 0.00 -1.26 0.00 0.00 59.98 58.82 3dll h ARG 111 Cb 0.03 -0.01 0.00 0.00 -1.65 0.00 0.00 29.97 28.34 3dll h ARG 111 CO -0.03 0.48 0.00 1.04 0.56 0.00 0.00 179.97 182.03 3dll n GLN 112 N -4.79 0.33 0.00 0.04 1.13 0.38 0.13 117.38 114.60 3dll n GLN 112 Ca -0.07 0.00 0.09 0.00 -1.94 0.00 0.00 57.00 55.08 3dll n GLN 112 Cb 0.23 -1.13 -0.10 0.00 0.11 0.00 0.00 30.24 29.36 3dll n GLN 112 CO 0.00 0.00 0.00 0.39 -1.44 0.00 0.00 177.06 176.01 3dll n GLU 113 N 0.14 0.86 0.00 -1.09 1.02 -0.69 -4.93 120.64 115.94 3dll n GLU 113 Ca 0.00 -0.04 0.00 0.00 -0.02 0.00 0.00 57.16 57.10 3dll n GLU 113 Cb 0.06 -1.38 0.00 0.00 -0.02 0.00 0.00 31.44 30.10 3dll n GLU 113 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3dll n GLY 114 N 1.43 -0.43 2.75 0.62 0.00 0.34 -5.05 105.19 104.86 3dll n GLY 114 Ca 0.04 0.47 -0.42 0.00 0.00 0.00 0.00 46.02 46.11 3dll n GLY 114 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3dll n GLY 115 N 0.00 4.50 0.00 -0.02 0.00 -0.92 -4.94 105.19 103.81 3dll n GLY 115 Ca 0.00 -1.71 0.00 0.00 0.00 0.00 0.00 46.02 44.31 3dll n GLY 115 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 3dll n LYS 116 N 5.52 1.72 0.00 1.61 2.85 -1.22 -3.97 118.16 124.67 3dll n LYS 116 Ca 0.50 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.76 3dll n LYS 116 Cb 0.38 0.00 0.00 0.00 -0.65 0.00 0.00 35.03 34.76 3dll n LYS 116 CO 0.00 0.00 0.00 -0.11 -0.05 0.00 0.00 177.40 177.24 3dll n LEU 117 N 0.00 0.00 0.00 -5.58 0.00 -1.24 -4.84 117.00 105.33 3dll n LEU 117 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56.01 56.01 3dll n LEU 117 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43.42 43.42 3dll n LEU 117 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.39 178.72 3dll n VAL 118 N -0.92 0.00 0.00 1.96 0.24 -1.26 -3.66 118.33 114.69 3dll n VAL 118 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.30 3dll n VAL 118 Cb 0.00 0.00 0.00 0.00 -1.47 0.00 0.00 33.84 32.37 3dll n VAL 118 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3dll n ALA 119 N -3.00 0.00 -3.12 2.33 0.00 -1.22 -4.45 120.51 111.05 3dll n ALA 119 Ca 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 53.44 53.34 3dll n ALA 119 Cb 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.42 3dll n ALA 119 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 3dll s VAL 120 N -2.00 -0.61 -0.27 0.00 1.01 -1.18 -2.94 120.40 114.41 3dll s VAL 120 Ca 0.00 -1.04 -0.09 0.00 0.00 0.00 0.00 61.98 60.86 3dll s VAL 120 Cb 0.00 -0.37 0.01 0.00 0.00 0.00 0.00 36.38 36.02 3dll s VAL 120 CO 0.00 -0.35 0.21 -0.67 0.00 0.00 0.00 175.10 174.29 3dll n ASP 121 N 3.59 -7.27 -4.50 3.32 -0.08 -1.26 -4.05 116.55 106.30 3dll n ASP 121 Ca 0.17 0.76 -0.42 0.00 -1.51 0.00 0.00 54.79 53.78 3dll n ASP 121 Cb 0.52 -3.79 -0.04 0.00 2.34 0.00 0.00 41.12 40.15 3dll n ASP 121 CO 0.00 0.00 0.00 -0.83 0.12 0.00 0.00 177.20 176.49 3dll s GLY 122 N -1.62 1.24 0.00 0.27 0.00 -1.26 -4.68 107.32 101.26 3dll s GLY 122 Ca 0.10 -1.55 0.00 0.00 0.00 0.00 0.00 44.72 43.28 3dll s GLY 122 CO 0.58 2.23 0.00 0.33 0.00 0.00 0.00 173.10 176.24 3dll n PHE 123 N 8.13 0.00 0.00 1.90 7.35 -1.26 -4.11 117.46 129.47 3dll n PHE 123 Ca -0.00 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.69 3dll n PHE 123 Cb 0.47 0.00 0.00 0.00 0.35 0.00 0.00 39.48 40.30 3dll n PHE 123 CO 0.00 0.00 0.00 -0.40 -0.76 0.00 0.00 176.76 175.60 3dll n ASP 124 N 0.00 0.00 0.00 -2.13 5.75 -1.26 -2.05 116.55 116.86 3dll n ASP 124 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 54.79 54.78 3dll n ASP 124 Cb 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.09 3dll n ASP 124 CO 0.00 0.00 0.00 -0.38 -0.11 0.00 0.00 177.20 176.71 3dll n ILE 125 N 0.00 0.00 -1.95 2.12 2.08 -1.26 -4.95 119.36 115.40 3dll n ILE 125 Ca 0.00 1.05 0.00 0.00 0.56 0.00 0.00 62.75 64.36 3dll n ILE 125 Cb 0.00 -1.46 0.00 0.00 -0.75 0.00 0.00 39.64 37.43 3dll n ILE 125 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 3dll n ALA 126 N -1.98 -2.27 -2.92 -1.39 0.00 -0.87 -4.83 120.51 106.26 3dll n ALA 126 Ca 0.00 0.37 -0.02 0.00 0.00 0.00 0.00 53.44 53.79 3dll n ALA 126 Cb 0.00 -1.13 -0.02 0.00 0.00 0.00 0.00 19.45 18.31 3dll n ALA 126 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 3dll n ASP 127 N 1.39 -5.26 0.00 0.00 5.75 -1.26 -4.28 116.55 112.89 3dll n ASP 127 Ca 0.00 1.06 0.00 0.00 -0.01 0.00 0.00 54.79 55.84 3dll n ASP 127 Cb 0.00 -2.89 0.00 0.00 -1.03 0.00 0.00 41.12 37.20 3dll n ASP 127 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 3dll n ALA 128 N 2.11 0.00 0.00 2.12 0.00 -1.26 -4.66 120.51 118.82 3dll n ALA 128 Ca -0.14 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.30 3dll n ALA 128 Cb 0.25 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.70 3dll n ALA 128 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 3dll n LYS 129 N 0.00 0.00 0.00 0.00 4.76 -1.26 -4.46 118.16 117.20 3dll n LYS 129 Ca 0.00 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.44 3dll n LYS 129 Cb 0.00 0.00 0.00 0.00 -1.84 0.00 0.00 35.03 33.19 3dll n LYS 129 CO 0.00 0.00 0.00 2.41 -1.37 0.00 0.00 177.40 178.44 3dll n THR 130 N 0.00 0.00 -0.10 -0.18 -1.04 -1.26 -4.32 114.28 107.37 3dll n THR 130 Ca 0.00 0.00 -0.05 0.00 -2.04 0.00 0.00 64.05 61.96 3dll n THR 130 Cb 0.00 0.00 -0.04 0.00 -1.82 0.00 0.00 70.33 68.47 3dll n THR 130 CO 0.00 0.00 0.00 0.50 -0.64 0.00 0.00 175.07 174.93 3dll h LYS 131 N 0.00 -0.10 -0.01 -2.82 3.64 -1.96 1.62 116.57 116.95 3dll h LYS 131 Ca 0.00 0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.39 3dll h LYS 131 Cb 0.00 0.02 -0.00 0.00 -0.41 0.00 0.00 32.23 31.84 3dll h LYS 131 CO 0.00 -0.07 0.23 -0.97 -2.27 0.00 0.00 179.45 176.38 3dll h ASN 132 N -0.10 0.00 0.44 4.20 -1.24 -1.88 0.40 115.58 117.40 3dll h ASN 132 Ca 0.04 0.00 -0.02 0.00 0.71 0.00 0.00 56.30 57.03 3dll h ASN 132 Cb 0.22 0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.27 3dll h ASN 132 CO -0.31 0.00 -0.21 0.15 -1.29 0.00 0.00 177.43 175.77 3dll h PHE 133 N 0.00 -0.55 -0.85 0.67 3.57 0.17 -0.75 116.94 119.19 3dll h PHE 133 Ca 0.00 -0.01 0.24 0.00 3.53 0.00 0.00 57.97 61.73 3dll h PHE 133 Cb 0.47 0.18 -0.16 0.00 2.79 0.00 0.00 35.95 39.23 3dll h PHE 133 CO 0.00 -0.30 0.05 -0.89 -2.23 0.00 0.00 178.31 174.94 3dll n ILE 134 N -5.18 -0.36 0.00 1.41 2.08 0.26 0.39 119.36 117.97 3dll n ILE 134 Ca -0.08 1.86 0.00 0.00 0.56 0.00 0.00 62.75 65.09 3dll n ILE 134 Cb 0.26 -2.74 0.00 0.00 -0.75 0.00 0.00 39.64 36.41 3dll n ILE 134 CO 0.00 0.00 0.00 -0.24 0.56 0.00 0.00 176.55 176.87 3dll n SER 135 N -5.20 0.00 -0.08 4.38 2.88 -0.38 -2.62 113.62 112.61 3dll n SER 135 Ca 0.21 0.64 -0.02 0.00 -1.33 0.00 0.00 58.87 58.37 3dll n SER 135 Cb 0.69 -0.14 -0.02 0.00 -0.75 0.00 0.00 64.21 63.99 3dll n SER 135 CO 0.00 0.00 0.00 1.87 -1.23 0.00 0.00 175.04 175.68 3dll n TRP 136 N -1.23 -0.08 0.00 0.66 -0.00 0.16 -0.52 117.44 116.43 3dll n TRP 136 Ca 0.00 0.22 0.00 0.00 -0.00 0.00 0.00 57.50 57.72 3dll n TRP 136 Cb 0.00 -0.38 0.00 0.00 -0.00 0.00 0.00 31.31 30.93 3dll n TRP 136 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 177.69 177.69 3dll n ALA 137 N -3.20 0.00 -0.07 5.87 0.00 -0.47 -0.82 120.51 121.82 3dll n ALA 137 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 3dll n ALA 137 Cb 0.05 0.31 0.00 0.00 0.00 0.00 0.00 19.45 19.81 3dll n ALA 137 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 3dll n LYS 138 N -2.01 0.00 -0.29 0.00 5.02 0.32 0.26 118.16 121.46 3dll n LYS 138 Ca 0.00 0.49 -0.07 0.00 -2.02 0.00 0.00 58.31 56.71 3dll n LYS 138 Cb 0.00 -0.75 -0.03 0.00 -0.02 0.00 0.00 35.03 34.23 3dll n LYS 138 CO 0.00 0.00 0.00 1.96 -0.52 0.00 0.00 177.40 178.84 3dll h GLN 139 N 0.00 -0.13 -0.49 1.97 1.08 -1.31 0.45 115.11 116.68 3dll h GLN 139 Ca 0.00 0.01 0.00 0.00 -1.45 0.00 0.00 58.65 57.21 3dll h GLN 139 Cb 0.00 0.03 0.00 0.00 -0.05 0.00 0.00 27.48 27.46 3dll h GLN 139 CO 0.00 -0.08 0.00 0.09 -0.95 0.00 0.00 178.83 177.89 3dll n ASN 140 N -5.39 0.40 0.00 1.46 3.02 0.14 -4.67 115.26 110.21 3dll n ASN 140 Ca 0.04 -0.63 0.00 0.00 -0.03 0.00 0.00 54.58 53.96 3dll n ASN 140 Cb 0.35 -0.16 0.00 0.00 -0.61 0.00 0.00 39.78 39.36 3dll n ASN 140 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3dll n GLY 141 N 0.41 2.82 3.57 7.41 0.00 0.16 -4.95 105.19 114.60 3dll n GLY 141 Ca 0.00 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.61 3dll n GLY 141 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3dll s LEU 142 N 0.00 3.33 0.28 0.99 1.43 -0.47 -4.79 118.68 119.44 3dll s LEU 142 Ca 0.00 0.07 0.25 0.00 -1.03 0.00 0.00 54.13 53.41 3dll s LEU 142 Cb 0.00 -2.87 0.99 0.00 0.03 0.00 0.00 46.19 44.35 3dll s LEU 142 CO 0.00 -1.80 1.74 0.44 0.23 0.00 0.00 176.35 176.96 3dll h ASP 143 N 11.06 0.00 -5.12 2.29 3.32 -1.82 -0.96 116.42 125.19 3dll h ASP 143 Ca -0.27 0.00 -0.20 0.00 0.02 0.00 0.00 57.03 56.58 3dll h ASP 143 Cb 1.08 0.00 0.16 0.00 0.22 0.00 0.00 39.33 40.80 3dll h ASP 143 CO 1.21 0.00 -0.69 0.61 -1.72 0.00 0.00 179.24 178.65 3dll n GLY 144 N 0.12 -0.91 0.00 2.75 0.00 -1.26 -4.87 105.19 101.02 3dll n GLY 144 Ca 0.02 0.47 0.00 0.00 0.00 0.00 0.00 46.02 46.51 3dll n GLY 144 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 3dll n THR 145 N -2.91 0.00 -4.00 2.61 -1.04 -1.26 -4.75 114.28 102.93 3dll n THR 145 Ca -0.06 0.00 -0.31 0.00 -2.04 0.00 0.00 64.05 61.64 3dll n THR 145 Cb 0.60 0.00 -0.06 0.00 -1.82 0.00 0.00 70.33 69.05 3dll n THR 145 CO 0.00 0.00 0.00 -1.61 -0.64 0.00 0.00 175.07 172.82 3dll s GLU 146 N -0.52 3.17 0.29 -2.82 0.41 -1.26 -4.87 118.70 113.10 3dll s GLU 146 Ca 0.00 -0.52 -0.30 0.00 -0.41 0.00 0.00 54.97 53.74 3dll s GLU 146 Cb 0.00 -2.90 -0.11 0.00 -1.78 0.00 0.00 34.13 29.34 3dll s GLU 146 CO 0.00 0.61 1.55 0.15 -0.49 0.00 0.00 175.26 177.08 3dll s LYS 147 N -2.25 4.16 0.04 1.61 1.02 -1.09 -4.22 119.74 119.02 3dll s LYS 147 Ca 0.30 2.51 -0.03 0.00 0.02 0.00 0.00 55.97 58.76 3dll s LYS 147 Cb -0.12 -3.04 -0.02 0.00 -0.52 0.00 0.00 37.83 34.12 3dll s LYS 147 CO 0.22 -0.57 0.04 0.08 -0.92 0.00 0.00 175.35 174.20 3dll s VAL 148 N -0.10 0.16 -0.26 3.17 1.01 0.21 0.11 120.40 124.70 3dll s VAL 148 Ca 0.61 -1.28 -0.01 0.00 0.00 0.00 0.00 61.98 61.30 3dll s VAL 148 Cb -0.46 -0.99 0.08 0.00 0.00 0.00 0.00 36.38 35.01 3dll s VAL 148 CO 0.48 -0.71 0.03 -0.22 0.00 0.00 0.00 175.10 174.68 3dll s LEU 149 N -2.28 2.20 -0.93 3.92 2.96 -1.24 -3.24 118.68 120.07 3dll s LEU 149 Ca -0.03 -1.30 -0.23 0.00 -0.22 0.00 0.00 54.13 52.35 3dll s LEU 149 Cb 0.00 -0.93 0.06 0.00 0.50 0.00 0.00 46.19 45.83 3dll s LEU 149 CO -0.06 -0.33 1.32 -0.76 -1.32 0.00 0.00 176.35 175.20 3dll s LEU 150 N 1.57 3.82 -0.50 -0.68 1.02 -1.09 0.11 118.68 122.94 3dll s LEU 150 Ca 0.02 -1.37 -0.25 0.00 0.02 0.00 0.00 54.13 52.55 3dll s LEU 150 Cb -0.18 -2.52 0.03 0.00 0.02 0.00 0.00 46.19 43.54 3dll s LEU 150 CO -0.13 -1.47 0.94 -0.69 0.02 0.00 0.00 176.35 175.01 3dll s VAL 151 N 4.58 4.42 0.03 -1.59 1.01 1.57 -2.28 120.40 128.14 3dll s VAL 151 Ca 0.40 0.55 -0.27 0.00 0.00 0.00 0.00 61.98 62.66 3dll s VAL 151 Cb -0.04 -4.49 0.07 0.00 0.00 0.00 0.00 36.38 31.93 3dll s VAL 151 CO -0.04 -0.96 0.63 0.28 0.00 0.00 0.00 175.10 175.00 3dll s THR 152 N 3.87 0.00 0.00 3.92 -1.32 -0.78 -1.87 115.64 119.46 3dll s THR 152 Ca 0.34 -0.04 0.00 0.00 -1.21 0.00 0.00 61.69 60.78 3dll s THR 152 Cb -0.11 -0.99 0.00 0.00 -1.51 0.00 0.00 72.50 69.89 3dll s THR 152 CO 0.23 -0.02 0.00 0.47 -2.21 0.00 0.00 174.62 173.09 3dll n ASP 153 N 0.45 0.00 -1.94 8.08 9.92 -1.26 -3.92 116.55 127.88 3dll n ASP 153 Ca -0.18 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.08 3dll n ASP 153 Cb 0.60 0.00 0.00 0.00 -0.64 0.00 0.00 41.12 41.08 3dll n ASP 153 CO 0.00 0.00 0.00 -0.90 0.13 0.00 0.00 177.20 176.43 3dll n ASP 154 N 0.00 -7.24 0.00 -2.24 5.75 -1.26 -4.66 116.55 106.90 3dll n ASP 154 Ca 0.00 1.33 0.00 0.00 -0.01 0.00 0.00 54.79 56.11 3dll n ASP 154 Cb 0.00 -4.40 0.00 0.00 -1.03 0.00 0.00 41.12 35.69 3dll n ASP 154 CO 0.00 0.00 0.00 -0.62 -0.11 0.00 0.00 177.20 176.47 3dll n GLU 155 N 1.43 0.00 0.00 0.11 4.71 -1.26 -3.66 120.64 121.97 3dll n GLU 155 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.16 57.15 3dll n GLU 155 Cb 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 31.44 30.43 3dll n GLU 155 CO 0.00 0.00 0.00 0.09 0.09 0.00 0.00 177.13 177.31 3dll n ASN 156 N 0.00 0.00 -0.05 1.62 3.02 -1.26 0.07 115.26 118.67 3dll n ASN 156 Ca 0.00 0.00 -0.02 0.00 -0.03 0.00 0.00 54.58 54.53 3dll n ASN 156 Cb 0.00 0.00 -0.01 0.00 -0.61 0.00 0.00 39.78 39.16 3dll n ASN 156 CO 0.00 0.00 0.00 0.71 -2.62 0.00 0.00 177.26 175.35 3dll h THR 157 N 0.00 0.00 -0.14 3.41 1.35 -1.91 -2.69 112.91 112.93 3dll h THR 157 Ca 0.00 0.00 -0.01 0.00 -0.55 0.00 0.00 66.41 65.85 3dll h THR 157 Cb 0.00 0.00 -0.01 0.00 -1.73 0.00 0.00 68.15 66.41 3dll h THR 157 CO 0.00 0.00 0.05 0.08 -0.25 0.00 0.00 175.52 175.40 3dll h ARG 158 N -0.02 0.22 -1.12 4.72 0.11 -0.43 -2.94 114.38 114.92 3dll h ARG 158 Ca 0.02 -0.04 0.34 0.00 0.10 0.00 0.00 59.98 60.40 3dll h ARG 158 Cb 0.07 -0.03 -0.06 0.00 1.11 0.00 0.00 29.97 31.05 3dll h ARG 158 CO -0.12 0.32 0.78 -2.13 0.10 0.00 0.00 179.97 178.92 3dll n ARG 159 N -4.87 -0.01 -2.64 0.08 0.63 -1.04 -1.57 116.66 107.24 3dll n ARG 159 Ca -0.05 0.72 -0.43 0.00 -0.92 0.00 0.00 57.85 57.17 3dll n ARG 159 Cb 0.12 -1.58 0.00 0.00 0.45 0.00 0.00 32.46 31.46 3dll n ARG 159 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 3dll n ALA 160 N -2.57 4.39 -2.68 5.13 0.00 -1.05 -4.55 120.51 119.17 3dll n ALA 160 Ca 0.27 -4.19 -0.05 0.00 0.00 0.00 0.00 53.44 49.47 3dll n ALA 160 Cb 1.18 -3.14 0.10 0.00 0.00 0.00 0.00 19.45 17.59 3dll n ALA 160 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3dll n ALA 161 N 5.51 -2.69 0.37 0.00 0.00 -0.61 -4.82 120.51 118.27 3dll n ALA 161 Ca 0.40 -0.65 0.08 0.00 0.00 0.00 0.00 53.44 53.28 3dll n ALA 161 Cb 0.41 -2.66 0.12 0.00 0.00 0.00 0.00 19.45 17.32 3dll n ALA 161 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.50 175.37 3dll n ARG 162 N 0.81 1.83 -3.13 0.00 0.63 -1.26 -4.77 116.66 110.78 3dll n ARG 162 Ca -0.01 -1.78 -0.32 0.00 -0.92 0.00 0.00 57.85 54.82 3dll n ARG 162 Cb 0.73 -1.35 -0.05 0.00 0.45 0.00 0.00 32.46 32.24 3dll n ARG 162 CO 0.00 0.00 0.00 0.54 -2.51 0.00 0.00 177.63 175.66 3dll s ASN 163 N -1.26 6.66 0.16 6.15 4.22 -1.26 -5.06 114.94 124.54 3dll s ASN 163 Ca 0.25 1.14 0.00 0.00 -2.14 0.00 0.00 52.86 52.10 3dll s ASN 163 Cb 0.15 -2.32 0.00 0.00 1.28 0.00 0.00 41.25 40.37 3dll s ASN 163 CO 0.22 -0.23 0.00 1.33 -2.04 0.00 0.00 177.10 176.38 3dll n VAL 164 N -0.60 0.00 0.00 3.54 0.24 -1.26 -4.12 118.33 116.13 3dll n VAL 164 Ca 0.02 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.32 3dll n VAL 164 Cb 0.53 0.00 0.00 0.00 -1.47 0.00 0.00 33.84 32.90 3dll n VAL 164 CO 0.00 0.00 0.00 -0.24 -2.14 0.00 0.00 176.83 174.45 3dll n SER 165 N 0.94 0.00 0.00 -1.34 2.88 -1.26 -2.70 113.62 112.14 3dll n SER 165 Ca 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.54 3dll n SER 165 Cb 0.00 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.46 3dll n SER 165 CO 0.00 0.00 0.00 0.79 -1.23 0.00 0.00 175.04 174.60 3dll n TRP 166 N 0.00 0.00 0.00 0.66 5.03 -1.26 -2.67 117.44 119.20 3dll n TRP 166 Ca 0.00 0.00 0.00 0.00 3.03 0.00 0.00 57.50 60.53 3dll n TRP 166 Cb 0.00 -0.20 0.00 0.00 -1.03 0.00 0.00 31.31 30.08 3dll n TRP 166 CO 0.00 0.00 0.00 1.33 -0.03 0.00 0.00 177.69 178.99 3dll n VAL 167 N -1.64 0.00 0.00 -0.99 0.24 -1.10 0.66 118.33 115.50 3dll n VAL 167 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.30 3dll n VAL 167 Cb 0.00 -0.24 0.00 0.00 -1.47 0.00 0.00 33.84 32.13 3dll n VAL 167 CO 0.00 0.00 0.00 -0.24 -2.14 0.00 0.00 176.83 174.45 3dll n SER 168 N 0.00 0.00 -4.62 -1.34 2.88 -1.20 -3.90 113.62 105.44 3dll n SER 168 Ca 0.00 0.00 -0.43 0.00 -1.33 0.00 0.00 58.87 57.11 3dll n SER 168 Cb 0.00 0.00 -0.02 0.00 -0.75 0.00 0.00 64.21 63.44 3dll n SER 168 CO 0.00 0.00 0.00 -0.69 -1.23 0.00 0.00 175.04 173.12 3dll s VAL 169 N 0.00 4.31 -0.35 2.46 1.01 -1.26 -2.66 120.40 123.91 3dll s VAL 169 Ca 0.00 1.44 -0.12 0.00 0.00 0.00 0.00 61.98 63.30 3dll s VAL 169 Cb 0.00 -4.42 -0.00 0.00 0.00 0.00 0.00 36.38 31.96 3dll s VAL 169 CO 0.00 -0.67 0.22 -0.22 0.00 0.00 0.00 175.10 174.43 3dll s LEU 170 N 4.15 4.54 0.00 3.92 2.96 -0.96 -4.98 118.68 128.31 3dll s LEU 170 Ca 0.49 -0.62 0.00 0.00 -0.22 0.00 0.00 54.13 53.78 3dll s LEU 170 Cb -0.11 -2.09 0.00 0.00 0.50 0.00 0.00 46.19 44.49 3dll s LEU 170 CO 0.23 -0.28 0.00 -2.65 -1.32 0.00 0.00 176.35 172.33 3dll n PRO 171 N 5.06 -0.08 -0.84 0.98 -0.02 -1.26 -1.87 135.00 136.98 3dll n PRO 171 Ca -0.13 0.00 -0.16 0.00 -2.02 0.00 0.00 63.50 61.19 3dll n PRO 171 Cb 0.48 0.00 -0.11 0.00 -0.02 0.00 0.00 33.50 33.85 3dll n PRO 171 CO 0.00 0.00 0.00 0.28 1.98 0.00 0.00 175.50 177.76 3dll n VAL 172 N -2.36 0.00 -1.35 -1.45 0.31 -1.25 -2.93 118.33 109.30 3dll n VAL 172 Ca 0.00 -0.18 0.00 0.00 -0.01 0.00 0.00 64.34 64.15 3dll n VAL 172 Cb 0.00 -0.10 0.00 0.00 -0.91 0.00 0.00 33.84 32.83 3dll n VAL 172 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3dll n ALA 173 N 4.05 -0.36 -3.07 3.52 0.00 -1.26 -4.66 120.51 118.73 3dll n ALA 173 Ca 0.38 0.00 -0.28 0.00 0.00 0.00 0.00 53.44 53.54 3dll n ALA 173 Cb 0.06 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 19.46 3dll n ALA 173 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3dll n GLY 174 N -0.34 5.40 3.59 0.00 0.00 -1.15 -5.04 105.19 107.64 3dll n GLY 174 Ca 0.00 -2.78 -0.28 0.00 0.00 0.00 0.00 46.02 42.96 3dll n GLY 174 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3dll s VAL 175 N -3.87 1.95 -0.20 1.61 -7.23 -1.26 -4.85 120.40 106.55 3dll s VAL 175 Ca 0.46 0.00 -0.04 0.00 -1.81 0.00 0.00 61.98 60.59 3dll s VAL 175 Cb 0.24 -2.33 0.09 0.00 0.56 0.00 0.00 36.38 34.94 3dll s VAL 175 CO -0.10 0.00 0.23 0.21 -0.31 0.00 0.00 175.10 175.13 3dll s ASN 176 N -3.14 1.31 0.28 4.85 2.47 -1.26 -5.01 114.94 114.44 3dll s ASN 176 Ca 0.67 -0.18 0.24 0.00 0.42 0.00 0.00 52.86 54.00 3dll s ASN 176 Cb -0.20 0.41 0.89 0.00 -1.45 0.00 0.00 41.25 40.90 3dll s ASN 176 CO 0.60 -0.32 0.85 0.52 -3.72 0.00 0.00 177.10 175.03 3dll n VAL 177 N 5.32 -0.05 0.00 -5.21 0.31 -1.26 -0.27 118.33 117.17 3dll n VAL 177 Ca -0.05 0.88 0.00 0.00 -0.01 0.00 0.00 64.34 65.15 3dll n VAL 177 Cb 0.50 -1.45 0.00 0.00 -0.91 0.00 0.00 33.84 31.97 3dll n VAL 177 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3dll n TYR 178 N -3.33 0.00 -0.26 3.52 9.36 -1.26 -3.17 117.16 122.02 3dll n TYR 178 Ca 0.23 0.00 0.18 0.00 3.32 0.00 0.00 57.90 61.64 3dll n TYR 178 Cb 1.00 -0.14 0.35 0.00 -0.63 0.00 0.00 39.34 39.92 3dll n TYR 178 CO 0.00 0.00 0.00 -0.25 0.22 0.00 0.00 176.86 176.83 3dll n ASP 179 N -0.91 0.10 -0.03 2.98 8.00 0.63 1.00 116.55 128.32 3dll n ASP 179 Ca 0.00 1.30 -0.13 0.00 0.71 0.00 0.00 54.79 56.68 3dll n ASP 179 Cb 0.00 -0.56 -0.08 0.00 -0.02 0.00 0.00 41.12 40.46 3dll n ASP 179 CO 0.00 0.00 0.00 -0.29 -0.39 0.00 0.00 177.20 176.52 3dll h ILE 180 N 0.00 1.32 0.00 0.53 2.10 -1.44 -2.65 117.51 117.37 3dll h ILE 180 Ca 0.57 -1.03 0.00 0.00 1.08 0.00 0.00 64.86 65.48 3dll h ILE 180 Cb 1.37 1.88 0.00 0.00 -1.09 0.00 0.00 36.82 38.98 3dll h ILE 180 CO -0.66 0.28 0.00 -0.11 -1.08 0.00 0.00 178.15 176.58 3dll n LEU 181 N -4.79 0.00 0.05 2.19 7.94 0.62 -3.34 117.00 119.67 3dll n LEU 181 Ca -0.07 0.23 -0.10 0.00 -1.11 0.00 0.00 56.01 54.95 3dll n LEU 181 Cb 0.25 -0.23 -0.07 0.00 0.53 0.00 0.00 43.42 43.90 3dll n LEU 181 CO 0.35 -0.00 0.36 -0.09 -1.11 0.00 0.00 177.39 176.91 3dll h ARG 182 N 0.00 -0.20 -7.39 1.96 2.43 0.99 -3.47 114.38 108.69 3dll h ARG 182 Ca 0.00 0.01 -0.46 0.00 -0.81 0.00 0.00 59.98 58.73 3dll h ARG 182 Cb 0.22 0.05 0.11 0.00 -0.42 0.00 0.00 29.97 29.93 3dll h ARG 182 CO 0.00 0.22 0.23 -1.01 -1.51 0.00 0.00 179.97 177.90 3dll s HIS 183 N -3.24 1.67 -0.08 2.20 3.76 -1.08 -5.05 115.29 113.48 3dll s HIS 183 Ca -0.12 -0.01 -0.27 0.00 -0.15 0.00 0.00 55.06 54.51 3dll s HIS 183 Cb 0.00 -3.43 -0.22 0.00 1.11 0.00 0.00 32.58 30.04 3dll s HIS 183 CO 0.44 -2.04 1.02 -0.44 -0.85 0.00 0.00 174.74 172.87 3dll h ASP 184 N -0.95 -0.01 -4.14 1.40 3.45 0.47 -3.47 116.42 113.17 3dll h ASP 184 Ca -0.40 -0.71 -0.23 0.00 0.43 0.00 0.00 57.03 56.12 3dll h ASP 184 Cb 1.26 0.00 -0.03 0.00 -0.56 0.00 0.00 39.33 40.00 3dll h ASP 184 CO 0.41 0.71 -0.14 0.54 -1.57 0.00 0.00 179.24 179.19 3dll n ARG 185 N -4.75 1.32 -3.57 3.56 5.12 0.17 -4.95 116.66 113.56 3dll n ARG 185 Ca -0.09 -1.34 -0.12 0.00 -1.93 0.00 0.00 57.85 54.37 3dll n ARG 185 Cb 0.35 0.24 -0.11 0.00 -1.16 0.00 0.00 32.46 31.78 3dll n ARG 185 CO 0.00 0.00 0.00 -1.17 -1.93 0.00 0.00 177.63 174.53 3dll s LEU 186 N 0.00 -0.44 -0.44 0.55 2.96 -1.25 -3.69 118.68 116.37 3dll s LEU 186 Ca 0.07 0.52 -0.08 0.00 -0.22 0.00 0.00 54.13 54.43 3dll s LEU 186 Cb -0.01 0.93 0.11 0.00 0.50 0.00 0.00 46.19 47.72 3dll s LEU 186 CO 0.04 -0.26 0.29 -0.69 -1.32 0.00 0.00 176.35 174.41 3dll s VAL 187 N 2.49 3.97 -0.99 1.68 1.01 0.12 -3.69 120.40 124.99 3dll s VAL 187 Ca 0.04 -1.75 -0.02 0.00 0.00 0.00 0.00 61.98 60.24 3dll s VAL 187 Cb -0.13 -3.59 0.30 0.00 0.00 0.00 0.00 36.38 32.96 3dll s VAL 187 CO -0.12 -0.68 1.41 -0.38 0.00 0.00 0.00 175.10 175.33 3dll n ILE 188 N 4.83 4.93 -0.28 2.22 5.41 -1.24 0.45 119.36 135.69 3dll n ILE 188 Ca -0.07 -5.83 0.06 0.00 1.00 0.00 0.00 62.75 57.91 3dll n ILE 188 Cb 0.41 -1.98 0.21 0.00 -0.71 0.00 0.00 39.64 37.57 3dll n ILE 188 CO 0.00 0.00 0.00 -0.78 0.00 0.00 0.00 176.55 175.77 3dll h ASP 189 N 4.98 0.44 0.00 4.38 1.82 -1.61 0.14 116.42 126.57 3dll h ASP 189 Ca 0.24 0.10 -0.53 0.00 -0.39 0.00 0.00 57.03 56.45 3dll h ASP 189 Cb 0.57 0.04 0.02 0.00 0.68 0.00 0.00 39.33 40.64 3dll h ASP 189 CO 1.22 0.18 2.78 0.00 -1.61 0.00 0.00 179.24 181.82 3dll n ALA 190 N -2.45 4.89 0.00 -0.78 0.00 -1.11 -3.19 120.51 117.86 3dll n ALA 190 Ca 0.16 -2.77 0.00 0.00 0.00 0.00 0.00 53.44 50.83 3dll n ALA 190 Cb 0.42 -3.28 0.00 0.00 0.00 0.00 0.00 19.45 16.59 3dll n ALA 190 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3dll n ALA 191 N 5.15 0.76 0.25 0.00 0.00 0.03 -2.44 120.51 124.27 3dll n ALA 191 Ca 0.52 0.00 -0.10 0.00 0.00 0.00 0.00 53.44 53.85 3dll n ALA 191 Cb 0.24 -0.71 -0.05 0.00 0.00 0.00 0.00 19.45 18.93 3dll n ALA 191 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3dll h ALA 192 N 1.42 -1.14 -1.07 0.00 0.00 -1.84 -2.51 119.26 114.11 3dll h ALA 192 Ca 0.00 -0.14 0.35 0.00 0.00 0.00 0.00 54.91 55.12 3dll h ALA 192 Cb 0.25 0.32 -0.14 0.00 0.00 0.00 0.00 17.79 18.21 3dll h ALA 192 CO 0.00 -1.10 0.64 1.25 0.00 0.00 0.00 179.25 180.04 3dll h LEU 193 N -0.66 0.44 -3.81 0.00 5.85 -1.88 -0.88 115.31 114.37 3dll h LEU 193 Ca -0.06 0.17 0.00 0.00 0.84 0.00 0.00 57.88 58.83 3dll h LEU 193 Cb 0.52 0.13 0.00 0.00 0.37 0.00 0.00 40.66 41.68 3dll h LEU 193 CO 0.09 -0.14 0.00 1.21 -0.34 0.00 0.00 178.44 179.26 3dll n GLU 194 N -4.94 0.17 0.00 1.25 2.13 -0.94 -4.62 120.64 113.68 3dll n GLU 194 Ca 0.33 0.00 0.00 0.00 0.66 0.00 0.00 57.16 58.15 3dll n GLU 194 Cb 1.09 -1.42 0.00 0.00 0.27 0.00 0.00 31.44 31.38 3dll n GLU 194 CO 0.00 0.00 0.00 0.44 -0.41 0.00 0.00 177.13 177.16 3dll n ILE 195 N 1.90 0.00 -1.51 6.31 -5.35 -0.34 -4.78 119.36 115.60 3dll n ILE 195 Ca 0.00 0.00 0.00 0.00 -0.27 0.00 0.00 62.75 62.48 3dll n ILE 195 Cb 0.08 0.00 0.00 0.00 -1.74 0.00 0.00 39.64 37.98 3dll n ILE 195 CO 0.00 0.00 0.00 0.52 -1.76 0.00 0.00 176.55 175.31 3dll n VAL 196 N -0.01 -3.05 -3.01 7.28 0.31 -1.26 -5.02 118.33 113.57 3dll n VAL 196 Ca 0.00 1.46 0.00 0.00 -0.01 0.00 0.00 64.34 65.79 3dll n VAL 196 Cb 0.00 -2.22 0.00 0.00 -0.91 0.00 0.00 33.84 30.71 3dll n VAL 196 CO 0.00 0.00 0.00 1.21 -1.32 0.00 0.00 176.83 176.72 3dll n GLU 197 N -1.92 -0.24 -0.42 5.55 2.13 -1.26 -5.05 120.64 119.44 3dll n GLU 197 Ca 0.00 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.82 3dll n GLU 197 Cb 0.24 0.00 0.00 0.00 0.27 0.00 0.00 31.44 31.95 3dll n GLU 197 CO 0.00 0.00 0.00 0.39 -0.41 0.00 0.00 177.13 177.11