#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3e1d n GLU 2 N 0.00 0.00 -3.72 2.12 -0.58 -1.26 -1.53 120.64 115.67 3e1d n GLU 2 Ca 0.00 0.00 -0.10 0.00 -0.42 0.00 0.00 57.16 56.64 3e1d n GLU 2 Cb 0.00 -0.00 -0.06 0.00 -0.57 0.00 0.00 31.44 30.81 3e1d n GLU 2 CO 0.00 0.00 0.00 -0.08 -0.48 0.00 0.00 177.13 176.57 3e1d s THR 3 N 0.00 0.09 -0.06 2.62 -1.32 -1.26 -4.94 115.64 110.77 3e1d s THR 3 Ca 0.00 -0.75 0.02 0.00 -1.21 0.00 0.00 61.69 59.75 3e1d s THR 3 Cb 0.00 -1.15 0.08 0.00 -1.51 0.00 0.00 72.50 69.92 3e1d s THR 3 CO 0.00 -0.41 1.05 -0.38 -2.21 0.00 0.00 174.62 172.67 3e1d n ILE 4 N 0.04 0.00 -0.24 5.08 5.41 -1.26 -3.16 119.36 125.23 3e1d n ILE 4 Ca -0.16 -0.19 -0.13 0.00 1.00 0.00 0.00 62.75 63.26 3e1d n ILE 4 Cb 0.62 0.57 -0.03 0.00 -0.71 0.00 0.00 39.64 40.10 3e1d n ILE 4 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 3e1d n ALA 5 N -0.29 1.53 0.30 -1.39 0.00 -1.26 -4.71 120.51 114.69 3e1d n ALA 5 Ca -0.25 -0.92 0.18 0.00 0.00 0.00 0.00 53.44 52.45 3e1d n ALA 5 Cb 0.71 -2.86 0.91 0.00 0.00 0.00 0.00 19.45 18.22 3e1d n ALA 5 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.50 178.37 3e1d h LYS 6 N 8.18 0.00 -2.07 0.00 1.57 -1.92 -3.43 116.57 118.89 3e1d h LYS 6 Ca 0.13 0.00 0.15 0.00 -1.87 0.00 0.00 60.65 59.06 3e1d h LYS 6 Cb 0.19 0.00 -0.07 0.00 0.08 0.00 0.00 32.23 32.42 3e1d h LYS 6 CO 1.30 0.00 -0.49 0.72 -0.57 0.00 0.00 179.45 180.42 3e1d n HIS 7 N -3.10 -1.65 -4.38 -1.35 8.25 -1.26 -1.56 115.22 110.17 3e1d n HIS 7 Ca -0.01 0.89 -0.19 0.00 -0.26 0.00 0.00 57.72 58.15 3e1d n HIS 7 Cb 0.32 -1.50 -0.10 0.00 1.12 0.00 0.00 29.99 29.83 3e1d n HIS 7 CO 0.00 0.00 0.00 1.03 0.64 0.00 0.00 176.34 178.01 3e1d s ARG 8 N -4.07 1.53 0.00 -0.41 3.00 -1.26 -4.45 118.95 113.28 3e1d s ARG 8 Ca 0.00 -1.83 0.00 0.00 0.00 0.00 0.00 55.73 53.90 3e1d s ARG 8 Cb 0.00 -0.57 0.00 0.00 0.00 0.00 0.00 34.95 34.38 3e1d s ARG 8 CO 0.00 -0.24 0.08 -2.39 0.00 0.00 0.00 175.30 172.75 3e1d n HIS 9 N -0.57 0.00 -1.24 -0.53 1.44 -1.26 -5.08 115.22 107.98 3e1d n HIS 9 Ca -0.01 0.00 0.16 0.00 -2.01 0.00 0.00 57.72 55.86 3e1d n HIS 9 Cb 0.66 0.00 -0.05 0.00 0.12 0.00 0.00 29.99 30.73 3e1d n HIS 9 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 3e1d n ALA 10 N -0.55 -3.20 -0.02 1.59 0.00 -1.26 -2.82 120.51 114.25 3e1d n ALA 10 Ca 0.00 0.46 -0.02 0.00 0.00 0.00 0.00 53.44 53.88 3e1d n ALA 10 Cb 0.02 -1.15 -0.03 0.00 0.00 0.00 0.00 19.45 18.29 3e1d n ALA 10 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.50 175.37 3e1d n ARG 11 N -3.87 3.00 -0.96 0.00 0.63 -1.26 -4.85 116.66 109.34 3e1d n ARG 11 Ca -0.01 0.00 -0.30 0.00 -0.92 0.00 0.00 57.85 56.63 3e1d n ARG 11 Cb 0.57 -1.10 0.16 0.00 0.45 0.00 0.00 32.46 32.54 3e1d n ARG 11 CO 0.00 0.00 0.00 -1.12 -2.51 0.00 0.00 177.63 174.00 3e1d s SER 12 N -3.58 2.94 0.57 6.15 0.01 -1.26 -4.74 113.70 113.79 3e1d s SER 12 Ca -0.02 1.68 -0.21 0.00 1.31 0.00 0.00 55.95 58.71 3e1d s SER 12 Cb 0.01 -2.32 -0.04 0.00 0.21 0.00 0.00 66.02 63.89 3e1d s SER 12 CO 0.15 -3.00 1.36 -0.55 0.41 0.00 0.00 173.24 171.60 3e1d s SER 13 N -3.07 5.07 0.40 2.44 0.15 -1.26 -3.91 113.70 113.52 3e1d s SER 13 Ca 0.65 2.76 0.08 0.00 0.70 0.00 0.00 55.95 60.14 3e1d s SER 13 Cb -0.20 -2.63 0.82 0.00 -1.71 0.00 0.00 66.02 62.29 3e1d s SER 13 CO 0.59 -1.70 1.98 0.00 1.20 0.00 0.00 173.24 175.31 3e1d h ALA 14 N 1.23 1.60 -0.89 5.45 0.00 -1.89 -2.33 119.26 122.44 3e1d h ALA 14 Ca -0.51 -0.12 0.19 0.00 0.00 0.00 0.00 54.91 54.47 3e1d h ALA 14 Cb 1.31 -0.12 -0.17 0.00 0.00 0.00 0.00 17.79 18.82 3e1d h ALA 14 CO 0.56 0.31 -0.14 1.96 0.00 0.00 0.00 179.25 181.94 3e1d h GLN 15 N 0.38 0.02 -0.01 0.00 1.08 -1.96 -0.80 115.11 113.83 3e1d h GLN 15 Ca 0.09 -0.00 -0.00 0.00 -1.45 0.00 0.00 58.65 57.29 3e1d h GLN 15 Cb 0.17 -0.00 -0.00 0.00 -0.05 0.00 0.00 27.48 27.60 3e1d h GLN 15 CO -0.00 0.01 0.00 -0.22 -0.95 0.00 0.00 178.83 177.67 3e1d h LYS 16 N 0.02 0.01 -0.87 1.46 3.64 -1.81 -2.23 116.57 116.79 3e1d h LYS 16 Ca 0.46 -0.00 0.18 0.00 -1.27 0.00 0.00 60.65 60.01 3e1d h LYS 16 Cb 0.77 -0.00 -0.07 0.00 -0.41 0.00 0.00 32.23 32.52 3e1d h LYS 16 CO -0.88 0.28 0.57 0.28 -2.27 0.00 0.00 179.45 177.43 3e1d h VAL 17 N -0.25 0.74 -0.70 2.00 2.07 -1.60 -3.18 116.25 115.32 3e1d h VAL 17 Ca 0.00 -0.17 0.09 0.00 0.82 0.00 0.00 66.70 67.45 3e1d h VAL 17 Cb 0.27 0.21 -0.04 0.00 -1.52 0.00 0.00 31.29 30.21 3e1d h VAL 17 CO 0.00 0.09 0.46 -0.09 0.02 0.00 0.00 177.57 178.05 3e1d h ARG 18 N 0.48 0.57 -4.68 1.57 2.43 -0.51 -3.40 114.38 110.85 3e1d h ARG 18 Ca 0.45 -0.03 -0.72 0.00 -0.81 0.00 0.00 59.98 58.86 3e1d h ARG 18 Cb 0.99 -0.13 -0.12 0.00 -0.42 0.00 0.00 29.97 30.30 3e1d h ARG 18 CO -0.18 0.38 2.09 1.28 -1.51 0.00 0.00 179.97 182.03 3e1d n LEU 19 N -4.49 5.75 0.00 3.80 4.32 -1.19 -3.90 117.00 121.29 3e1d n LEU 19 Ca 0.11 -4.28 0.00 0.00 -0.02 0.00 0.00 56.01 51.83 3e1d n LEU 19 Cb 0.33 -1.64 0.00 0.00 -1.62 0.00 0.00 43.42 40.49 3e1d n LEU 19 CO 0.33 0.76 0.00 0.55 -1.22 0.00 0.00 177.39 177.81 3e1d n VAL 20 N 4.97 0.00 -0.35 4.08 3.14 -1.26 -4.88 118.33 124.03 3e1d n VAL 20 Ca 0.44 0.00 0.35 0.00 -2.96 0.00 0.00 64.34 62.17 3e1d n VAL 20 Cb 0.42 0.00 0.72 0.00 -1.06 0.00 0.00 33.84 33.91 3e1d n VAL 20 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 3e1d h ALA 21 N 0.00 3.03 0.00 1.55 0.00 -1.80 -3.14 119.26 118.90 3e1d h ALA 21 Ca 0.00 -0.02 -0.17 0.00 0.00 0.00 0.00 54.91 54.72 3e1d h ALA 21 Cb 0.00 0.09 -0.03 0.00 0.00 0.00 0.00 17.79 17.85 3e1d h ALA 21 CO 0.00 -1.40 -0.90 -0.44 0.00 0.00 0.00 179.25 176.51 3e1d h ASP 22 N 0.06 0.00 -0.71 0.00 3.32 -1.94 -3.35 116.42 113.80 3e1d h ASP 22 Ca 0.60 0.00 0.10 0.00 0.02 0.00 0.00 57.03 57.75 3e1d h ASP 22 Cb 2.26 0.00 -0.07 0.00 0.22 0.00 0.00 39.33 41.74 3e1d h ASP 22 CO -0.07 0.76 0.34 -0.07 -1.72 0.00 0.00 179.24 178.49 3e1d h LEU 23 N 0.00 0.43 -1.07 1.55 -0.00 -1.97 -3.30 115.31 110.95 3e1d h LEU 23 Ca -0.05 0.07 -0.06 0.00 -0.00 0.00 0.00 57.88 57.84 3e1d h LEU 23 Cb 1.62 -0.00 -0.01 0.00 -0.00 0.00 0.00 40.66 42.27 3e1d h LEU 23 CO 0.09 0.24 -0.28 0.40 -0.00 0.00 0.00 178.44 178.89 3e1d h ILE 24 N 0.58 0.70 -1.53 1.22 1.08 -1.80 -3.46 117.51 114.29 3e1d h ILE 24 Ca 0.36 -1.26 -0.74 0.00 -0.39 0.00 0.00 64.86 62.83 3e1d h ILE 24 Cb 0.40 1.81 0.02 0.00 -3.07 0.00 0.00 36.82 35.98 3e1d h ILE 24 CO -0.28 0.28 0.78 0.54 -0.69 0.00 0.00 178.15 178.78 3e1d n ARG 25 N -3.47 1.06 -0.21 2.37 1.74 -1.25 -4.09 116.66 112.80 3e1d n ARG 25 Ca -0.00 0.39 0.00 0.00 -0.77 0.00 0.00 57.85 57.46 3e1d n ARG 25 Cb 0.45 -2.05 0.00 0.00 -1.02 0.00 0.00 32.46 29.85 3e1d n ARG 25 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3e1d n GLY 26 N 3.79 0.25 0.78 -0.13 0.00 -0.27 -4.48 105.19 105.13 3e1d n GLY 26 Ca 0.25 0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.28 3e1d n GLY 26 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 3e1d n LYS 27 N -2.00 0.00 0.00 1.61 4.81 -1.26 -4.94 118.16 116.38 3e1d n LYS 27 Ca 0.00 -1.20 0.00 0.00 -0.87 0.00 0.00 58.31 56.24 3e1d n LYS 27 Cb 0.00 -0.30 0.00 0.00 0.02 0.00 0.00 35.03 34.75 3e1d n LYS 27 CO 0.00 0.00 0.00 1.17 1.17 0.00 0.00 177.40 179.74 3e1d n LYS 28 N 0.13 0.35 -0.41 1.64 3.00 -1.26 -5.02 118.16 116.59 3e1d n LYS 28 Ca 0.01 0.00 0.40 0.00 -0.00 0.00 0.00 58.31 58.71 3e1d n LYS 28 Cb 0.81 -0.66 0.77 0.00 0.00 0.00 0.00 35.03 35.94 3e1d n LYS 28 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 177.40 177.16 3e1d h VAL 29 N 0.00 0.30 -1.09 3.15 3.04 -1.84 -2.41 116.25 117.41 3e1d h VAL 29 Ca 0.00 0.00 0.32 0.00 -1.01 0.00 0.00 66.70 66.01 3e1d h VAL 29 Cb 0.33 0.31 -0.12 0.00 -2.01 0.00 0.00 31.29 29.79 3e1d h VAL 29 CO 0.00 0.00 0.67 -1.28 -1.01 0.00 0.00 177.57 175.95 3e1d h SER 30 N 0.00 0.45 -1.45 3.17 0.87 -1.85 -1.47 113.55 113.27 3e1d h SER 30 Ca 0.65 0.14 -0.51 0.00 -1.23 0.00 0.00 61.79 60.84 3e1d h SER 30 Cb 2.64 0.08 -0.41 0.00 -0.44 0.00 0.00 62.40 64.27 3e1d h SER 30 CO -0.01 -0.05 -0.90 0.00 -0.53 0.00 0.00 176.83 175.34 3e1d n GLN 31 N -4.82 2.54 0.22 2.24 6.02 -0.91 -4.99 117.38 117.68 3e1d n GLN 31 Ca 0.30 -4.07 0.15 0.00 -0.01 0.00 0.00 57.00 53.37 3e1d n GLN 31 Cb 1.03 -1.89 0.66 0.00 1.02 0.00 0.00 30.24 31.05 3e1d n GLN 31 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 3e1d h ALA 32 N 2.77 1.00 0.06 -1.58 0.00 -1.40 -3.29 119.26 116.82 3e1d h ALA 32 Ca 0.14 0.00 0.01 0.00 0.00 0.00 0.00 54.91 55.06 3e1d h ALA 32 Cb 0.97 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.75 3e1d h ALA 32 CO 0.72 0.00 -0.08 -0.07 0.00 0.00 0.00 179.25 179.82 3e1d h LEU 33 N 0.00 -0.21 0.00 0.00 4.07 -1.94 -3.41 115.31 113.83 3e1d h LEU 33 Ca 0.00 0.02 0.00 0.00 0.08 0.00 0.00 57.88 57.98 3e1d h LEU 33 Cb 0.35 0.08 0.00 0.00 1.08 0.00 0.00 40.66 42.17 3e1d h LEU 33 CO 0.00 -0.12 0.00 0.47 -1.08 0.00 0.00 178.44 177.71 3e1d n ASP 34 N -5.19 0.00 0.00 -0.43 9.92 -1.24 -0.34 116.55 119.27 3e1d n ASP 34 Ca -0.07 0.61 0.00 0.00 -0.53 0.00 0.00 54.79 54.80 3e1d n ASP 34 Cb 0.12 -0.11 0.00 0.00 -0.64 0.00 0.00 41.12 40.49 3e1d n ASP 34 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 3e1d n ILE 35 N -1.14 0.00 -0.10 0.53 0.13 -1.26 -0.12 119.36 117.40 3e1d n ILE 35 Ca 0.00 0.00 -0.18 0.00 -1.10 0.00 0.00 62.75 61.47 3e1d n ILE 35 Cb 0.00 0.00 -0.10 0.00 -0.84 0.00 0.00 39.64 38.70 3e1d n ILE 35 CO 0.00 0.00 0.00 -0.07 2.80 0.00 0.00 176.55 179.28 3e1d h LEU 36 N 0.00 0.00 -0.81 9.51 3.38 -1.58 -3.26 115.31 122.56 3e1d h LEU 36 Ca 0.00 -0.44 0.00 0.00 0.09 0.00 0.00 57.88 57.53 3e1d h LEU 36 Cb 0.00 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.75 3e1d h LEU 36 CO 0.00 1.31 0.00 0.00 0.09 0.00 0.00 178.44 179.84 3e1d h THR 37 N -1.00 0.00 0.00 0.22 1.03 0.55 0.41 112.91 114.13 3e1d h THR 37 Ca -0.26 -0.33 0.00 0.00 -0.01 0.00 0.00 66.41 65.81 3e1d h THR 37 Cb 1.12 1.16 0.00 0.00 -1.07 0.00 0.00 68.15 69.35 3e1d h THR 37 CO -0.16 0.00 -0.43 -1.22 -0.01 0.00 0.00 175.52 173.70 3e1d n TYR 38 N -2.46 0.51 -2.56 0.00 4.01 0.84 -4.22 117.16 113.28 3e1d n TYR 38 Ca 0.02 0.15 -0.32 0.00 -0.16 0.00 0.00 57.90 57.59 3e1d n TYR 38 Cb 0.27 -0.64 -0.00 0.00 -0.31 0.00 0.00 39.34 38.65 3e1d n TYR 38 CO 0.00 0.00 0.00 2.41 -0.46 0.00 0.00 176.86 178.81 3e1d n THR 39 N -2.01 3.53 0.00 -0.72 -1.04 0.13 -4.98 114.28 109.21 3e1d n THR 39 Ca 0.04 -5.23 0.00 0.00 -2.04 0.00 0.00 64.05 56.82 3e1d n THR 39 Cb 0.41 -1.36 0.00 0.00 -1.82 0.00 0.00 70.33 67.57 3e1d n THR 39 CO 0.00 0.00 0.00 -3.20 -0.64 0.00 0.00 175.07 171.23 3e1d n ASN 40 N -0.34 0.00 -4.75 8.00 2.85 -1.24 -4.53 115.26 115.24 3e1d n ASN 40 Ca 0.41 0.00 -0.39 0.00 -0.11 0.00 0.00 54.58 54.49 3e1d n ASN 40 Cb 0.42 0.00 0.03 0.00 1.24 0.00 0.00 39.78 41.47 3e1d n ASN 40 CO 0.00 0.00 0.00 -0.54 -2.11 0.00 0.00 177.26 174.61 3e1d s LYS 41 N -0.46 3.32 0.52 1.20 1.02 -1.26 -4.79 119.74 119.29 3e1d s LYS 41 Ca 0.00 2.26 0.35 0.00 0.02 0.00 0.00 55.97 58.60 3e1d s LYS 41 Cb 0.00 -2.37 1.50 0.00 -0.52 0.00 0.00 37.83 36.43 3e1d s LYS 41 CO 0.00 -1.06 1.78 -0.22 -0.92 0.00 0.00 175.35 174.93 3e1d h LYS 42 N 1.72 0.05 0.00 1.68 3.64 -2.00 -2.15 116.57 119.52 3e1d h LYS 42 Ca -0.51 -0.00 0.00 0.00 -1.27 0.00 0.00 60.65 58.87 3e1d h LYS 42 Cb 1.29 -0.01 0.00 0.00 -0.41 0.00 0.00 32.23 33.10 3e1d h LYS 42 CO 0.58 0.04 0.00 0.00 -2.27 0.00 0.00 179.45 177.80 3e1d n ALA 43 N -2.73 -0.06 0.04 5.00 0.00 -1.26 -3.53 120.51 117.97 3e1d n ALA 43 Ca 0.27 0.00 0.01 0.00 0.00 0.00 0.00 53.44 53.72 3e1d n ALA 43 Cb 1.24 0.25 0.35 0.00 0.00 0.00 0.00 19.45 21.29 3e1d n ALA 43 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3e1d h ALA 44 N -1.69 1.46 -0.59 0.00 0.00 -1.64 -2.37 119.26 114.42 3e1d h ALA 44 Ca 0.00 -0.18 0.12 0.00 0.00 0.00 0.00 54.91 54.85 3e1d h ALA 44 Cb 0.00 -0.13 -0.11 0.00 0.00 0.00 0.00 17.79 17.55 3e1d h ALA 44 CO 0.00 0.38 -0.15 0.28 0.00 0.00 0.00 179.25 179.76 3e1d h VAL 45 N 0.41 0.40 -0.44 0.00 2.07 -1.57 -0.88 116.25 116.24 3e1d h VAL 45 Ca 0.09 0.00 0.09 0.00 0.82 0.00 0.00 66.70 67.70 3e1d h VAL 45 Cb 0.30 0.40 -0.10 0.00 -1.52 0.00 0.00 31.29 30.37 3e1d h VAL 45 CO 0.01 0.00 -0.31 0.25 0.02 0.00 0.00 177.57 177.54 3e1d h LEU 46 N -0.01 -1.03 -1.23 2.57 6.46 -1.47 -2.41 115.31 118.19 3e1d h LEU 46 Ca 0.28 0.19 -0.08 0.00 -0.12 0.00 0.00 57.88 58.16 3e1d h LEU 46 Cb 0.44 0.50 -0.01 0.00 -0.73 0.00 0.00 40.66 40.85 3e1d h LEU 46 CO -0.61 -0.30 -0.38 0.58 -0.62 0.00 0.00 178.44 177.11 3e1d h VAL 47 N -0.21 1.24 -0.35 1.05 2.07 -1.31 0.17 116.25 118.91 3e1d h VAL 47 Ca 0.19 -1.32 0.00 0.00 0.82 0.00 0.00 66.70 66.40 3e1d h VAL 47 Cb 0.53 1.72 -0.02 0.00 -1.52 0.00 0.00 31.29 32.00 3e1d h VAL 47 CO -0.56 0.37 0.23 0.50 0.02 0.00 0.00 177.57 178.13 3e1d h LYS 48 N 0.00 0.47 0.00 1.57 3.11 -1.04 -1.42 116.57 119.26 3e1d h LYS 48 Ca -0.00 -0.03 0.00 0.00 -2.81 0.00 0.00 60.65 57.81 3e1d h LYS 48 Cb 0.69 -0.10 0.00 0.00 -1.00 0.00 0.00 32.23 31.81 3e1d h LYS 48 CO 0.05 0.32 -0.71 -0.22 -2.81 0.00 0.00 179.45 176.08 3e1d h LYS 49 N 0.47 0.00 0.11 1.90 1.63 -0.87 -2.87 116.57 116.94 3e1d h LYS 49 Ca 0.13 0.00 0.02 0.00 -0.85 0.00 0.00 60.65 59.95 3e1d h LYS 49 Cb -0.04 0.00 -0.04 0.00 -0.60 0.00 0.00 32.23 31.54 3e1d h LYS 49 CO -0.03 0.00 -0.38 0.28 -3.45 0.00 0.00 179.45 175.88 3e1d h VAL 50 N 0.00 0.22 0.30 2.00 2.07 -0.62 -3.29 116.25 116.93 3e1d h VAL 50 Ca 0.00 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.51 3e1d h VAL 50 Cb 0.99 0.22 -0.00 0.00 -1.52 0.00 0.00 31.29 30.98 3e1d h VAL 50 CO 0.00 0.00 -0.20 -0.07 0.02 0.00 0.00 177.57 177.32 3e1d h LEU 51 N -0.60 -0.52 -0.44 2.57 3.38 -1.31 -3.04 115.31 115.33 3e1d h LEU 51 Ca 0.03 0.03 0.04 0.00 0.09 0.00 0.00 57.88 58.07 3e1d h LEU 51 Cb 0.64 0.16 -0.05 0.00 0.09 0.00 0.00 40.66 41.49 3e1d h LEU 51 CO -0.22 -0.30 -0.26 -0.62 0.09 0.00 0.00 178.44 177.12 3e1d n GLU 52 N -3.54 -0.20 0.14 1.13 1.02 -1.08 -2.15 120.64 115.96 3e1d n GLU 52 Ca -0.06 0.85 0.01 0.00 -0.02 0.00 0.00 57.16 57.94 3e1d n GLU 52 Cb 0.20 -1.26 0.16 0.00 -0.02 0.00 0.00 31.44 30.52 3e1d n GLU 52 CO 0.00 0.00 0.00 0.77 1.18 0.00 0.00 177.13 179.08 3e1d h SER 53 N 0.00 0.00 0.64 1.62 0.02 -1.63 -1.03 113.55 113.17 3e1d h SER 53 Ca 0.07 0.00 -0.02 0.00 -0.84 0.00 0.00 61.79 61.00 3e1d h SER 53 Cb 0.18 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 62.71 3e1d h SER 53 CO -0.42 0.57 -0.49 0.00 -1.14 0.00 0.00 176.83 175.35 3e1d h ALA 54 N 1.43 -1.18 0.00 3.77 0.00 -1.43 -3.22 119.26 118.63 3e1d h ALA 54 Ca -0.01 -0.22 -0.15 0.00 0.00 0.00 0.00 54.91 54.54 3e1d h ALA 54 Cb 1.19 0.67 -0.02 0.00 0.00 0.00 0.00 17.79 19.62 3e1d h ALA 54 CO 0.07 -1.19 -0.92 0.97 0.00 0.00 0.00 179.25 178.18 3e1d h ILE 55 N -1.09 0.88 -0.13 0.00 2.10 -1.17 -1.95 117.51 116.14 3e1d h ILE 55 Ca -0.08 -2.36 -0.07 0.00 1.08 0.00 0.00 64.86 63.43 3e1d h ILE 55 Cb 0.91 2.37 -0.01 0.00 -1.09 0.00 0.00 36.82 39.00 3e1d h ILE 55 CO 0.02 0.50 -0.21 0.00 -1.08 0.00 0.00 178.15 177.37 3e1d h ALA 56 N 1.37 1.40 0.34 0.18 0.00 -1.37 -2.58 119.26 118.60 3e1d h ALA 56 Ca -0.07 -0.26 -0.02 0.00 0.00 0.00 0.00 54.91 54.56 3e1d h ALA 56 Cb 1.54 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 19.25 3e1d h ALA 56 CO 0.07 0.42 -0.16 -0.97 0.00 0.00 0.00 179.25 178.61 3e1d h ASN 57 N 0.20 -0.38 -1.01 0.00 -0.73 -1.55 -3.35 115.58 108.76 3e1d h ASN 57 Ca 0.04 0.01 0.29 0.00 1.87 0.00 0.00 56.30 58.50 3e1d h ASN 57 Cb 0.50 0.10 -0.14 0.00 0.27 0.00 0.00 38.32 39.05 3e1d h ASN 57 CO 0.03 -0.26 0.59 0.00 -0.37 0.00 0.00 177.43 177.43 3e1d h ALA 58 N -1.76 1.89 0.00 1.57 0.00 -0.98 0.15 119.26 120.13 3e1d h ALA 58 Ca -0.05 0.15 -0.04 0.00 0.00 0.00 0.00 54.91 54.98 3e1d h ALA 58 Cb 0.35 0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.21 3e1d h ALA 58 CO 0.08 -0.44 -0.20 1.05 0.00 0.00 0.00 179.25 179.74 3e1d h GLU 59 N 0.45 0.00 0.00 0.00 -0.00 -1.67 -2.68 114.58 110.68 3e1d h GLU 59 Ca 0.69 0.00 -0.32 0.00 -0.00 0.00 0.00 59.36 59.73 3e1d h GLU 59 Cb 1.47 0.00 -0.06 0.00 -0.00 0.00 0.00 28.75 30.16 3e1d h GLU 59 CO -0.53 0.20 -2.17 0.72 -0.00 0.00 0.00 179.01 177.23 3e1d n HIS 60 N -3.26 0.26 -0.06 2.06 8.25 0.28 -4.10 115.22 118.66 3e1d n HIS 60 Ca 0.01 0.09 -0.04 0.00 -0.26 0.00 0.00 57.72 57.52 3e1d n HIS 60 Cb 0.48 -1.01 -0.11 0.00 1.12 0.00 0.00 29.99 30.47 3e1d n HIS 60 CO 0.00 0.00 0.00 -1.71 0.64 0.00 0.00 176.34 175.27 3e1d n ASN 61 N -2.79 1.66 -0.10 0.41 5.15 0.22 -4.43 115.26 115.38 3e1d n ASN 61 Ca -0.26 0.00 -0.17 0.00 -0.60 0.00 0.00 54.58 53.55 3e1d n ASN 61 Cb 1.08 0.96 -0.07 0.00 -0.53 0.00 0.00 39.78 41.23 3e1d n ASN 61 CO 0.00 0.00 0.00 -0.67 1.40 0.00 0.00 177.26 177.99 3e1d n ASP 62 N -2.42 1.89 0.00 1.20 4.64 -1.02 -5.02 116.55 115.81 3e1d n ASP 62 Ca -0.19 0.44 0.00 0.00 -1.38 0.00 0.00 54.79 53.66 3e1d n ASP 62 Cb 0.85 -0.86 0.00 0.00 -1.04 0.00 0.00 41.12 40.07 3e1d n ASP 62 CO 0.00 0.00 0.00 0.61 -0.82 0.00 0.00 177.20 176.99 3e1d n GLY 63 N 1.44 1.77 3.87 0.27 0.00 -1.18 -5.08 105.19 106.29 3e1d n GLY 63 Ca -0.28 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.45 3e1d n GLY 63 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3e1d s ALA 64 N -2.00 2.55 -0.37 4.61 0.00 -1.23 -5.00 121.76 120.32 3e1d s ALA 64 Ca 0.00 -0.53 -0.29 0.00 0.00 0.00 0.00 51.96 51.15 3e1d s ALA 64 Cb 0.00 -3.00 0.01 0.00 0.00 0.00 0.00 23.12 20.13 3e1d s ALA 64 CO 0.00 -1.64 1.33 -0.51 0.00 0.00 0.00 175.76 174.93 3e1d s ASP 65 N -4.40 6.52 0.44 0.00 1.01 -1.26 -4.34 116.67 114.64 3e1d s ASP 65 Ca 0.61 0.94 0.29 0.00 0.71 0.00 0.00 52.55 55.10 3e1d s ASP 65 Cb -0.12 -2.54 1.39 0.00 1.01 0.00 0.00 42.92 42.66 3e1d s ASP 65 CO 0.51 -1.26 1.65 -0.29 0.21 0.00 0.00 175.17 175.99 3e1d h ILE 66 N 6.22 0.20 0.00 0.77 2.10 -1.93 -2.70 117.51 122.16 3e1d h ILE 66 Ca -0.26 -0.05 -0.08 0.00 1.08 0.00 0.00 64.86 65.55 3e1d h ILE 66 Cb 1.10 0.06 -0.01 0.00 -1.09 0.00 0.00 36.82 36.87 3e1d h ILE 66 CO 1.07 0.02 -0.38 -0.78 -1.08 0.00 0.00 178.15 177.00 3e1d h ASP 67 N 0.13 0.00 -0.01 2.19 1.82 -1.94 -3.39 116.42 115.22 3e1d h ASP 67 Ca 0.78 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 57.42 3e1d h ASP 67 Cb 2.42 0.00 0.00 0.00 0.68 0.00 0.00 39.33 42.43 3e1d h ASP 67 CO -0.36 0.38 -0.08 0.47 -1.61 0.00 0.00 179.24 178.03 3e1d n ASP 68 N -3.56 1.40 -3.21 2.28 8.00 -1.02 -4.39 116.55 116.05 3e1d n ASP 68 Ca -0.00 -1.20 -0.20 0.00 0.71 0.00 0.00 54.79 54.09 3e1d n ASP 68 Cb 0.51 0.23 -0.03 0.00 -0.02 0.00 0.00 41.12 41.81 3e1d n ASP 68 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 3e1d n LEU 69 N 0.10 2.94 -0.47 0.64 4.77 -1.25 -1.32 117.00 122.41 3e1d n LEU 69 Ca 0.04 -2.18 0.40 0.00 -0.03 0.00 0.00 56.01 54.24 3e1d n LEU 69 Cb 0.19 -0.86 0.61 0.00 -2.33 0.00 0.00 43.42 41.03 3e1d n LEU 69 CO 0.08 -0.33 1.28 2.29 -1.33 0.00 0.00 177.39 179.38 3e1d n LYS 70 N 5.18 0.01 -2.08 3.23 2.85 -0.15 -4.73 118.16 122.46 3e1d n LYS 70 Ca 0.31 0.97 -0.00 0.00 -1.05 0.00 0.00 58.31 58.54 3e1d n LYS 70 Cb 0.15 -2.31 0.00 0.00 -0.65 0.00 0.00 35.03 32.22 3e1d n LYS 70 CO 0.00 0.00 0.00 1.55 -0.05 0.00 0.00 177.40 178.90 3e1d n VAL 71 N -3.49 -6.75 0.02 0.58 3.14 -1.14 -1.11 118.33 109.59 3e1d n VAL 71 Ca 0.33 0.84 -0.02 0.00 -2.96 0.00 0.00 64.34 62.54 3e1d n VAL 71 Cb 1.68 -5.41 -0.09 0.00 -1.06 0.00 0.00 33.84 28.95 3e1d n VAL 71 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 3e1d h THR 72 N 1.41 0.60 0.00 1.55 1.03 -1.13 -2.62 112.91 113.74 3e1d h THR 72 Ca 0.00 -2.17 0.00 0.00 -0.01 0.00 0.00 66.41 64.23 3e1d h THR 72 Cb 0.04 2.14 0.00 0.00 -1.07 0.00 0.00 68.15 69.26 3e1d h THR 72 CO 0.05 0.34 0.00 0.29 -0.01 0.00 0.00 175.52 176.19 3e1d n LYS 73 N -2.94 0.00 -1.81 0.00 5.02 -1.23 -4.91 118.16 112.30 3e1d n LYS 73 Ca -0.11 0.00 -0.01 0.00 -2.02 0.00 0.00 58.31 56.17 3e1d n LYS 73 Cb 0.89 0.00 -0.01 0.00 -0.02 0.00 0.00 35.03 35.88 3e1d n LYS 73 CO 0.00 0.00 0.00 -0.89 -0.52 0.00 0.00 177.40 175.99 3e1d n ILE 74 N -0.64 -7.27 -4.34 -0.18 5.41 -0.79 -4.90 119.36 106.65 3e1d n ILE 74 Ca 0.00 1.32 -0.17 0.00 1.00 0.00 0.00 62.75 64.90 3e1d n ILE 74 Cb 0.00 -4.65 -0.10 0.00 -0.71 0.00 0.00 39.64 34.18 3e1d n ILE 74 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 176.55 177.27 3e1d s PHE 75 N -0.28 1.59 -0.04 1.39 -0.71 0.16 -4.97 117.98 115.12 3e1d s PHE 75 Ca -0.07 -1.12 0.01 0.00 -1.04 0.00 0.00 56.93 54.71 3e1d s PHE 75 Cb 0.00 -0.95 0.02 0.00 -1.21 0.00 0.00 43.02 40.88 3e1d s PHE 75 CO 0.20 -0.25 -0.05 0.54 -1.34 0.00 0.00 175.22 174.31 3e1d s VAL 76 N -3.65 0.57 0.12 -2.49 0.11 -1.26 -0.53 120.40 113.26 3e1d s VAL 76 Ca 0.36 -0.18 0.04 0.00 -2.93 0.00 0.00 61.98 59.27 3e1d s VAL 76 Cb 0.08 -0.56 -0.04 0.00 -1.53 0.00 0.00 36.38 34.32 3e1d s VAL 76 CO 0.13 0.22 -0.09 -0.62 -3.33 0.00 0.00 175.10 171.41 3e1d s ASP 77 N 0.67 1.54 0.67 3.54 2.15 -1.12 -5.00 116.67 119.12 3e1d s ASP 77 Ca -0.09 -0.96 -0.02 0.00 0.43 0.00 0.00 52.55 51.91 3e1d s ASP 77 Cb -0.12 0.02 0.04 0.00 -0.30 0.00 0.00 42.92 42.56 3e1d s ASP 77 CO 0.00 -0.35 0.27 -1.84 -0.17 0.00 0.00 175.17 173.08 3e1d n GLU 78 N 0.04 0.15 0.00 4.34 0.00 -1.26 -2.45 120.64 121.46 3e1d n GLU 78 Ca -0.12 -0.59 0.00 0.00 0.00 0.00 0.00 57.16 56.45 3e1d n GLU 78 Cb 0.60 -0.22 0.00 0.00 0.00 0.00 0.00 31.44 31.82 3e1d n GLU 78 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 3e1d n GLY 79 N 3.08 -1.30 0.00 -1.84 0.00 -0.50 -4.82 105.19 99.82 3e1d n GLY 79 Ca 0.04 -1.57 0.00 0.00 0.00 0.00 0.00 46.02 44.49 3e1d n GLY 79 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 3e1d n PRO 80 N -1.30 0.00 -3.63 1.61 -0.02 -1.26 -4.95 135.00 125.45 3e1d n PRO 80 Ca 0.00 0.12 -0.02 0.00 -2.02 0.00 0.00 63.50 61.59 3e1d n PRO 80 Cb 0.00 -1.02 -0.04 0.00 -0.02 0.00 0.00 33.50 32.41 3e1d n PRO 80 CO 0.00 0.00 0.00 -1.54 1.98 0.00 0.00 175.50 175.94 3e1d s SER 81 N -2.20 -1.06 -0.03 2.55 1.04 -1.26 -5.02 113.70 107.72 3e1d s SER 81 Ca 0.00 1.48 0.01 0.00 0.48 0.00 0.00 55.95 57.92 3e1d s SER 81 Cb 0.00 2.10 0.02 0.00 0.10 0.00 0.00 66.02 68.24 3e1d s SER 81 CO 0.00 -0.21 -0.01 -0.32 0.98 0.00 0.00 173.24 173.68 3e1d s MET 82 N 2.66 0.39 0.15 4.02 0.00 -1.24 -5.10 119.30 120.17 3e1d s MET 82 Ca -0.06 0.02 0.08 0.00 0.00 0.00 0.00 55.69 55.72 3e1d s MET 82 Cb -0.10 -0.51 -0.04 0.00 0.00 0.00 0.00 34.83 34.17 3e1d s MET 82 CO -0.19 -0.10 -0.18 0.15 0.00 0.00 0.00 175.02 174.71 3e1d s LYS 83 N 0.85 1.20 0.32 4.11 -0.14 -1.26 -1.58 119.74 123.23 3e1d s LYS 83 Ca -0.09 -1.34 -0.00 0.00 -1.36 0.00 0.00 55.97 53.18 3e1d s LYS 83 Cb -0.12 -1.23 0.00 0.00 -1.68 0.00 0.00 37.83 34.79 3e1d s LYS 83 CO -0.01 0.25 0.42 -2.13 -0.76 0.00 0.00 175.35 173.12 3e1d n ARG 84 N 0.44 0.60 -4.17 1.68 3.00 -0.86 -5.02 116.66 112.33 3e1d n ARG 84 Ca -0.14 -2.68 -0.18 0.00 -0.00 0.00 0.00 57.85 54.84 3e1d n ARG 84 Cb 0.57 2.50 -0.12 0.00 0.00 0.00 0.00 32.46 35.41 3e1d n ARG 84 CO 0.00 0.00 0.00 0.96 0.00 0.00 0.00 177.63 178.59 3e1d s ILE 85 N -2.87 1.11 -0.33 5.15 -0.00 -1.26 -1.07 121.20 121.93 3e1d s ILE 85 Ca 0.29 -1.32 0.02 0.00 -0.00 0.00 0.00 60.65 59.64 3e1d s ILE 85 Cb -0.00 -1.09 0.15 0.00 -0.00 0.00 0.00 42.46 41.52 3e1d s ILE 85 CO 0.21 -0.24 0.37 -0.32 -0.00 0.00 0.00 174.94 174.96 3e1d s MET 86 N -1.79 0.50 -0.52 0.37 1.75 -0.35 -4.91 119.30 114.36 3e1d s MET 86 Ca -0.02 -0.38 -0.04 0.00 -1.25 0.00 0.00 55.69 54.00 3e1d s MET 86 Cb -0.10 -0.56 -0.08 0.00 2.84 0.00 0.00 34.83 36.93 3e1d s MET 86 CO 0.02 -1.11 2.03 -0.35 -0.65 0.00 0.00 175.02 174.97 3e1d n PRO 87 N 4.83 1.56 -0.28 4.11 -0.04 -1.26 -4.18 135.00 139.74 3e1d n PRO 87 Ca 0.05 -1.05 0.02 0.00 -0.04 0.00 0.00 63.50 62.48 3e1d n PRO 87 Cb 0.47 -2.16 0.09 0.00 -0.04 0.00 0.00 33.50 31.85 3e1d n PRO 87 CO 0.00 0.00 0.00 -0.09 -0.04 0.00 0.00 175.50 175.37 3e1d h ARG 88 N 5.74 -0.01 0.00 0.54 9.65 -1.98 -3.26 114.38 125.05 3e1d h ARG 88 Ca 0.32 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 59.20 3e1d h ARG 88 Cb 0.37 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 28.96 3e1d h ARG 88 CO 1.02 -0.01 0.00 0.00 2.80 0.00 0.00 179.97 183.78 3e1d n ALA 89 N -3.32 1.70 -3.78 2.80 0.00 -1.26 -5.06 120.51 111.59 3e1d n ALA 89 Ca 0.11 -0.01 -0.27 0.00 0.00 0.00 0.00 53.44 53.26 3e1d n ALA 89 Cb 0.40 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 19.81 3e1d n ALA 89 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.50 177.86 3e1d n LYS 90 N -0.82 -1.73 0.00 0.00 0.00 -1.23 -4.37 118.16 110.01 3e1d n LYS 90 Ca 0.00 0.13 0.00 0.00 -0.00 0.00 0.00 58.31 58.44 3e1d n LYS 90 Cb 0.00 -4.70 0.00 0.00 -0.00 0.00 0.00 35.03 30.33 3e1d n LYS 90 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 3e1d n GLY 91 N -0.90 0.00 0.00 2.58 0.00 -1.26 -5.12 105.19 100.50 3e1d n GLY 91 Ca 0.07 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.09 3e1d n GLY 91 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3e1d n ARG 92 N 0.00 0.00 0.00 1.61 5.12 -1.26 -5.08 116.66 117.05 3e1d n ARG 92 Ca 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 55.92 3e1d n ARG 92 Cb 0.00 0.00 0.00 0.00 -1.16 0.00 0.00 32.46 31.30 3e1d n ARG 92 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 3e1d n ALA 93 N -1.32 0.00 0.00 7.54 0.00 -1.26 -4.82 120.51 120.65 3e1d n ALA 93 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 3e1d n ALA 93 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 3e1d n ALA 93 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 3e1d n ASP 94 N -0.03 0.00 -3.67 0.00 8.00 -1.26 -4.81 116.55 114.78 3e1d n ASP 94 Ca 0.00 0.00 -0.30 0.00 0.71 0.00 0.00 54.79 55.20 3e1d n ASP 94 Cb 0.00 -0.92 -0.14 0.00 -0.02 0.00 0.00 41.12 40.04 3e1d n ASP 94 CO 0.00 0.00 0.00 -0.13 -0.39 0.00 0.00 177.20 176.68 3e1d s ARG 95 N 0.00 0.88 0.12 -1.24 0.52 -1.26 -1.21 118.95 116.76 3e1d s ARG 95 Ca 0.00 -1.45 -0.29 0.00 -0.52 0.00 0.00 55.73 53.48 3e1d s ARG 95 Cb 0.00 -1.96 -0.06 0.00 0.52 0.00 0.00 34.95 33.45 3e1d s ARG 95 CO 0.00 -1.09 0.90 -1.50 0.02 0.00 0.00 175.30 173.63 3e1d s ILE 96 N 1.06 4.46 0.29 1.52 2.07 -0.23 -4.91 121.20 125.47 3e1d s ILE 96 Ca 0.14 1.96 -0.07 0.00 -1.41 0.00 0.00 60.65 61.27 3e1d s ILE 96 Cb -0.21 -4.27 -0.06 0.00 0.13 0.00 0.00 42.46 38.05 3e1d s ILE 96 CO -0.11 0.37 0.58 -0.22 -1.91 0.00 0.00 174.94 173.65 3e1d s LEU 97 N -0.30 4.05 -0.40 8.50 2.96 -1.26 -2.03 118.68 130.19 3e1d s LEU 97 Ca 0.43 0.81 0.02 0.00 -0.22 0.00 0.00 54.13 55.17 3e1d s LEU 97 Cb -0.23 -3.62 0.14 0.00 0.50 0.00 0.00 46.19 42.98 3e1d s LEU 97 CO 0.29 -0.20 0.25 -0.54 -1.32 0.00 0.00 176.35 174.83 3e1d s LYS 98 N -3.43 0.92 0.00 1.98 3.01 -0.62 -4.97 119.74 116.64 3e1d s LYS 98 Ca 0.46 -1.75 0.04 0.00 -1.01 0.00 0.00 55.97 53.70 3e1d s LYS 98 Cb -0.11 -1.74 0.20 0.00 -1.01 0.00 0.00 37.83 35.17 3e1d s LYS 98 CO 0.28 -1.22 0.80 0.54 0.51 0.00 0.00 175.35 176.26 3e1d n ARG 99 N 3.61 0.08 -1.05 1.68 5.12 -1.26 -3.70 116.66 121.13 3e1d n ARG 99 Ca 0.14 0.12 0.12 0.00 -1.93 0.00 0.00 57.85 56.29 3e1d n ARG 99 Cb 0.38 -1.50 -0.04 0.00 -1.16 0.00 0.00 32.46 30.14 3e1d n ARG 99 CO 0.00 0.00 0.00 2.41 -1.93 0.00 0.00 177.63 178.11 3e1d n THR 100 N -1.13 0.00 -3.71 0.55 -1.04 -1.25 -1.41 114.28 106.29 3e1d n THR 100 Ca 0.02 0.25 -0.11 0.00 -2.04 0.00 0.00 64.05 62.17 3e1d n THR 100 Cb 0.02 -0.55 -0.11 0.00 -1.82 0.00 0.00 70.33 67.87 3e1d n THR 100 CO 0.00 0.00 0.00 -0.44 -0.64 0.00 0.00 175.07 173.99 3e1d s SER 101 N -5.44 -0.47 -0.03 8.00 0.01 -1.13 -4.29 113.70 110.36 3e1d s SER 101 Ca 0.00 0.83 0.01 0.00 1.31 0.00 0.00 55.95 58.11 3e1d s SER 101 Cb 0.00 0.74 0.01 0.00 0.21 0.00 0.00 66.02 66.99 3e1d s SER 101 CO 0.00 -0.18 -0.05 -1.38 0.41 0.00 0.00 173.24 172.05 3e1d s HIS 102 N 1.10 0.62 -0.61 2.43 -3.43 -1.03 -4.33 115.29 110.04 3e1d s HIS 102 Ca -0.07 -0.14 -0.08 0.00 -0.80 0.00 0.00 55.06 53.97 3e1d s HIS 102 Cb -0.07 -0.51 0.16 0.00 -1.43 0.00 0.00 32.58 30.72 3e1d s HIS 102 CO -0.09 -0.11 0.47 0.42 -2.00 0.00 0.00 174.74 173.43 3e1d s ILE 103 N 0.51 4.34 -0.76 -5.38 1.01 -0.60 -2.77 121.20 117.54 3e1d s ILE 103 Ca -0.06 -2.37 -0.25 0.00 0.00 0.00 0.00 60.65 57.97 3e1d s ILE 103 Cb -0.10 -3.80 -0.15 0.00 0.01 0.00 0.00 42.46 38.42 3e1d s ILE 103 CO -0.00 -0.87 2.40 0.41 0.00 0.00 0.00 174.94 176.88 3e1d n THR 104 N 4.18 -0.02 -0.10 2.92 -1.04 0.31 -4.05 114.28 116.48 3e1d n THR 104 Ca 0.03 -0.54 -0.14 0.00 -2.04 0.00 0.00 64.05 61.36 3e1d n THR 104 Cb 0.41 -1.92 -0.03 0.00 -1.82 0.00 0.00 70.33 66.97 3e1d n THR 104 CO 0.00 0.00 0.00 1.62 -0.64 0.00 0.00 175.07 176.05 3e1d h VAL 105 N 7.64 1.28 -5.35 12.58 3.04 -1.84 0.48 116.25 134.09 3e1d h VAL 105 Ca -0.04 -1.59 0.00 0.00 -1.01 0.00 0.00 66.70 64.06 3e1d h VAL 105 Cb 1.07 1.50 0.00 0.00 -2.01 0.00 0.00 31.29 31.85 3e1d h VAL 105 CO 1.10 0.52 -0.72 0.52 -1.01 0.00 0.00 177.57 177.98 3e1d n VAL 106 N -4.09 -1.54 0.00 1.51 0.31 -1.24 -1.88 118.33 111.40 3e1d n VAL 106 Ca -0.03 0.36 0.00 0.00 -0.01 0.00 0.00 64.34 64.66 3e1d n VAL 106 Cb 0.56 -2.40 0.00 0.00 -0.91 0.00 0.00 33.84 31.08 3e1d n VAL 106 CO 0.00 0.00 0.00 0.52 -1.32 0.00 0.00 176.83 176.03 3e1d n VAL 107 N 1.28 0.00 0.00 2.52 0.31 -1.08 -3.48 118.33 117.88 3e1d n VAL 107 Ca 0.00 0.46 0.00 0.00 -0.01 0.00 0.00 64.34 64.79 3e1d n VAL 107 Cb 0.36 -1.11 0.00 0.00 -0.91 0.00 0.00 33.84 32.18 3e1d n VAL 107 CO 0.00 0.00 0.00 -0.24 -1.32 0.00 0.00 176.83 175.27 3e1d n SER 108 N -1.37 0.00 -4.53 4.52 2.88 -0.58 -1.04 113.62 113.49 3e1d n SER 108 Ca 0.00 0.00 -0.26 0.00 -1.33 0.00 0.00 58.87 57.28 3e1d n SER 108 Cb 0.00 -0.07 -0.10 0.00 -0.75 0.00 0.00 64.21 63.29 3e1d n SER 108 CO 0.00 0.00 0.00 1.51 -1.23 0.00 0.00 175.04 175.32 3e1d s ASP 109 N -1.97 3.19 0.00 -3.46 -4.77 -1.26 -0.98 116.67 107.42 3e1d s ASP 109 Ca 0.00 -1.42 0.00 0.00 -3.30 0.00 0.00 52.55 47.83 3e1d s ASP 109 Cb 0.00 -0.12 0.00 0.00 -1.09 0.00 0.00 42.92 41.71 3e1d s ASP 109 CO 0.00 -0.59 0.43 0.54 0.70 0.00 0.00 175.17 176.25