#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3d4m s VAL 2 N 0.00 1.67 0.74 2.03 -7.23 -1.26 -5.04 120.40 111.31 3d4m s VAL 2 Ca 0.00 -1.38 -0.12 0.00 -1.81 0.00 0.00 61.98 58.67 3d4m s VAL 2 Cb 0.00 -1.49 0.04 0.00 0.56 0.00 0.00 36.38 35.49 3d4m s VAL 2 CO 0.00 0.06 1.11 -0.94 -0.31 0.00 0.00 175.10 175.02 3d4m s SER 3 N -1.57 4.59 0.49 4.85 1.04 -1.26 -4.89 113.70 116.96 3d4m s SER 3 Ca 0.07 1.95 0.14 0.00 0.48 0.00 0.00 55.95 58.58 3d4m s SER 3 Cb -0.09 -2.54 1.16 0.00 0.10 0.00 0.00 66.02 64.65 3d4m s SER 3 CO 0.03 -1.98 2.12 0.06 0.98 0.00 0.00 173.24 174.45 3d4m h GLN 4 N -0.70 0.13 -0.22 4.02 -0.00 -2.01 -1.65 115.11 114.68 3d4m h GLN 4 Ca -0.45 -0.01 -0.17 0.00 -0.00 0.00 0.00 58.65 58.03 3d4m h GLN 4 Cb 1.24 -0.03 -0.00 0.00 -0.00 0.00 0.00 27.48 28.69 3d4m h GLN 4 CO 0.52 0.09 -0.53 0.93 -0.00 0.00 0.00 178.83 179.84 3d4m h GLU 5 N 0.13 0.66 -0.29 0.06 3.07 -1.99 0.07 114.58 116.29 3d4m h GLU 5 Ca 0.03 -0.41 -0.06 0.00 -0.50 0.00 0.00 59.36 58.43 3d4m h GLU 5 Cb 0.00 0.04 -0.01 0.00 -0.84 0.00 0.00 28.75 27.95 3d4m h GLU 5 CO -0.01 1.02 -0.04 1.15 -1.40 0.00 0.00 179.01 179.74 3d4m h THR 6 N 0.51 1.27 -0.31 1.13 2.02 -1.82 -0.75 112.91 114.96 3d4m h THR 6 Ca 0.01 -1.02 0.03 0.00 0.77 0.00 0.00 66.41 66.21 3d4m h THR 6 Cb 1.09 1.35 -0.03 0.00 -1.74 0.00 0.00 68.15 68.82 3d4m h THR 6 CO 0.11 0.33 0.11 0.58 0.37 0.00 0.00 175.52 177.01 3d4m h VAL 7 N 0.32 0.91 -0.41 3.16 2.07 -1.17 0.35 116.25 121.48 3d4m h VAL 7 Ca 0.08 -0.08 0.02 0.00 0.82 0.00 0.00 66.70 67.54 3d4m h VAL 7 Cb 0.49 0.65 -0.03 0.00 -1.52 0.00 0.00 31.29 30.89 3d4m h VAL 7 CO 0.02 0.04 0.23 0.00 0.02 0.00 0.00 177.57 177.88 3d4m h ALA 8 N 1.20 0.52 -0.59 1.67 0.00 -0.85 0.71 119.26 121.93 3d4m h ALA 8 Ca 0.14 0.00 -0.02 0.00 0.00 0.00 0.00 54.91 55.03 3d4m h ALA 8 Cb 0.11 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 17.78 3d4m h ALA 8 CO -0.14 -0.11 0.30 1.25 0.00 0.00 0.00 179.25 180.54 3d4m h HIS 9 N 0.46 0.83 -0.43 0.00 6.17 -0.67 0.20 115.15 121.70 3d4m h HIS 9 Ca 0.17 -0.03 -0.10 0.00 0.71 0.00 0.00 60.37 61.12 3d4m h HIS 9 Cb 0.04 -0.26 -0.01 0.00 2.52 0.00 0.00 27.41 29.70 3d4m h HIS 9 CO -0.08 0.62 -0.10 0.28 0.71 0.00 0.00 177.93 179.36 3d4m h VAL 10 N 0.80 1.27 -0.65 5.26 2.07 -0.68 0.17 116.25 124.49 3d4m h VAL 10 Ca 0.20 -1.21 0.08 0.00 0.82 0.00 0.00 66.70 66.60 3d4m h VAL 10 Cb 0.09 1.16 -0.07 0.00 -1.52 0.00 0.00 31.29 30.95 3d4m h VAL 10 CO -0.03 0.41 0.30 0.11 0.02 0.00 0.00 177.57 178.39 3d4m h LYS 11 N 0.66 0.52 -0.80 1.57 1.57 -0.49 -0.02 116.57 119.58 3d4m h LYS 11 Ca 0.11 -0.03 0.03 0.00 -1.87 0.00 0.00 60.65 58.89 3d4m h LYS 11 Cb 0.64 -0.12 -0.05 0.00 0.08 0.00 0.00 32.23 32.78 3d4m h LYS 11 CO 0.04 0.34 0.52 -0.44 -0.57 0.00 0.00 179.45 179.34 3d4m h ASP 12 N 0.54 0.86 -0.37 0.86 3.32 0.09 -1.28 116.42 120.42 3d4m h ASP 12 Ca 0.32 -0.01 -0.00 0.00 0.02 0.00 0.00 57.03 57.36 3d4m h ASP 12 Cb 0.33 -0.19 -0.02 0.00 0.22 0.00 0.00 39.33 39.67 3d4m h ASP 12 CO -0.26 0.59 0.23 -0.07 -1.72 0.00 0.00 179.24 178.02 3d4m h LEU 13 N 1.01 0.44 -0.84 1.55 3.38 -0.01 -2.64 115.31 118.21 3d4m h LEU 13 Ca 0.32 -0.04 0.08 0.00 0.09 0.00 0.00 57.88 58.33 3d4m h LEU 13 Cb -0.00 -0.11 -0.07 0.00 0.09 0.00 0.00 40.66 40.56 3d4m h LEU 13 CO -0.11 0.35 0.50 0.40 0.09 0.00 0.00 178.44 179.67 3d4m h ILE 14 N 0.50 0.95 -0.08 1.22 2.04 -0.33 -2.86 117.51 118.94 3d4m h ILE 14 Ca 0.14 -0.29 0.00 0.00 1.00 0.00 0.00 64.86 65.70 3d4m h ILE 14 Cb -0.02 0.02 0.00 0.00 -0.74 0.00 0.00 36.82 36.09 3d4m h ILE 14 CO -0.03 0.16 0.00 0.61 0.00 0.00 0.00 178.15 178.89 3d4m n GLY 15 N -1.32 0.24 0.28 5.37 0.00 -0.55 -4.20 105.19 105.01 3d4m n GLY 15 Ca 0.13 -0.47 -0.11 0.00 0.00 0.00 0.00 46.02 45.58 3d4m n GLY 15 CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 3d4m h GLN 16 N 2.57 0.98 -5.95 1.61 4.20 -1.23 -3.46 115.11 113.83 3d4m h GLN 16 Ca 0.00 -0.41 -0.56 0.00 0.06 0.00 0.00 58.65 57.74 3d4m h GLN 16 Cb 0.55 -0.04 -0.14 0.00 0.30 0.00 0.00 27.48 28.16 3d4m h GLN 16 CO 0.00 1.09 -0.74 0.15 -0.67 0.00 0.00 178.83 178.66 3d4m s LYS 17 N -4.67 1.59 0.40 1.46 -0.14 -1.26 -5.03 119.74 112.09 3d4m s LYS 17 Ca -0.11 -1.74 0.09 0.00 -1.36 0.00 0.00 55.97 52.85 3d4m s LYS 17 Cb 0.12 -1.54 0.85 0.00 -1.68 0.00 0.00 37.83 35.58 3d4m s LYS 17 CO 0.87 0.25 1.98 0.93 -0.76 0.00 0.00 175.35 178.62 3d4m h GLU 18 N 2.32 0.33 -4.32 1.68 4.39 -1.74 -3.41 114.58 113.84 3d4m h GLU 18 Ca -0.40 -0.05 -0.51 0.00 0.34 0.00 0.00 59.36 58.75 3d4m h GLU 18 Cb 1.25 -0.06 -0.35 0.00 -0.10 0.00 0.00 28.75 29.48 3d4m h GLU 18 CO 0.62 0.34 -0.80 0.08 -1.16 0.00 0.00 179.01 178.09 3d4m s VAL 19 N -5.02 1.00 -0.10 3.13 1.01 -0.62 0.14 120.40 119.94 3d4m s VAL 19 Ca -0.06 -0.33 0.04 0.00 0.00 0.00 0.00 61.98 61.62 3d4m s VAL 19 Cb 0.16 -0.98 -0.00 0.00 0.00 0.00 0.00 36.38 35.56 3d4m s VAL 19 CO 0.73 0.35 -0.23 0.12 0.00 0.00 0.00 175.10 176.06 3d4m s PHE 20 N 1.23 2.56 -0.10 5.22 5.36 0.11 -0.31 117.98 132.06 3d4m s PHE 20 Ca -0.04 -1.00 0.01 0.00 -0.96 0.00 0.00 56.93 54.93 3d4m s PHE 20 Cb -0.14 -1.71 0.02 0.00 -0.34 0.00 0.00 43.02 40.85 3d4m s PHE 20 CO -0.03 -0.39 -0.09 0.08 -1.46 0.00 0.00 175.22 173.33 3d4m s VAL 21 N 0.30 1.07 -0.24 3.12 1.01 0.36 -1.01 120.40 125.01 3d4m s VAL 21 Ca -0.17 -0.36 -0.17 0.00 0.00 0.00 0.00 61.98 61.28 3d4m s VAL 21 Cb -0.18 -1.05 -0.03 0.00 0.00 0.00 0.00 36.38 35.12 3d4m s VAL 21 CO 0.08 0.36 0.45 0.00 0.00 0.00 0.00 175.10 176.00 3d4m s ALA 22 N 1.32 3.57 0.30 5.51 0.00 0.53 -0.08 121.76 132.91 3d4m s ALA 22 Ca -0.02 -0.60 0.03 0.00 0.00 0.00 0.00 51.96 51.36 3d4m s ALA 22 Cb -0.14 -2.76 -0.04 0.00 0.00 0.00 0.00 23.12 20.18 3d4m s ALA 22 CO -0.04 -0.55 0.14 0.00 0.00 0.00 0.00 175.76 175.31 3d4m s ALA 23 N 1.87 1.99 0.16 0.00 0.00 0.72 -0.37 121.76 126.12 3d4m s ALA 23 Ca 0.19 -1.75 0.04 0.00 0.00 0.00 0.00 51.96 50.44 3d4m s ALA 23 Cb -0.15 1.09 -0.05 0.00 0.00 0.00 0.00 23.12 24.01 3d4m s ALA 23 CO 0.09 -0.48 -0.09 0.15 0.00 0.00 0.00 175.76 175.44 3d4m s LYS 24 N -3.86 1.09 0.73 0.00 1.02 -1.26 -0.66 119.74 116.80 3d4m s LYS 24 Ca 0.35 -1.48 -0.11 0.00 0.02 0.00 0.00 55.97 54.76 3d4m s LYS 24 Cb 0.06 -0.60 0.03 0.00 -0.52 0.00 0.00 37.83 36.79 3d4m s LYS 24 CO 0.16 0.05 1.07 0.95 -0.92 0.00 0.00 175.35 176.66 3d4m s THR 25 N -3.35 3.69 -1.44 2.17 -4.23 -1.26 -3.80 115.64 107.41 3d4m s THR 25 Ca 0.18 0.55 -0.11 0.00 -1.18 0.00 0.00 61.69 61.13 3d4m s THR 25 Cb 0.03 -3.29 0.05 0.00 1.34 0.00 0.00 72.50 70.63 3d4m s THR 25 CO 0.01 -0.72 1.03 -1.22 -0.54 0.00 0.00 174.62 173.19 3d4m n TYR 26 N -3.24 -2.48 -3.85 3.99 4.02 -1.26 -4.95 117.16 109.40 3d4m n TYR 26 Ca 0.07 0.94 -0.30 0.00 -0.01 0.00 0.00 57.90 58.60 3d4m n TYR 26 Cb 0.54 -4.42 -0.15 0.00 -0.02 0.00 0.00 39.34 35.29 3d4m n TYR 26 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 3d4m h PRO 28 N 7.72 0.29 0.00 0.00 0.11 -1.92 -0.70 132.00 137.50 3d4m h PRO 28 Ca -0.09 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 66.01 3d4m h PRO 28 Cb 1.00 -0.07 0.00 0.00 0.11 0.00 0.00 31.00 32.05 3d4m h PRO 28 CO 0.50 0.19 -0.06 1.88 -0.21 0.00 0.00 178.00 180.30 3d4m h TYR 29 N 0.30 0.00 -0.26 0.65 -1.99 -1.95 -0.86 116.97 112.87 3d4m h TYR 29 Ca 0.41 0.00 -0.03 0.00 2.00 0.00 0.00 58.73 61.11 3d4m h TYR 29 Cb 0.67 0.00 -0.01 0.00 2.00 0.00 0.00 36.73 39.39 3d4m h TYR 29 CO -0.24 0.00 0.06 0.00 -0.00 0.00 0.00 178.16 177.98 3d4m h LYS 31 N 0.24 0.38 -0.19 0.00 3.64 -0.90 0.16 116.57 119.91 3d4m h LYS 31 Ca 0.08 -0.02 0.04 0.00 -1.27 0.00 0.00 60.65 59.47 3d4m h LYS 31 Cb 0.28 -0.09 -0.03 0.00 -0.41 0.00 0.00 32.23 31.99 3d4m h LYS 31 CO 0.00 0.25 -0.03 0.00 -2.27 0.00 0.00 179.45 177.40 3d4m h ALA 32 N 1.20 0.14 -0.28 5.00 0.00 -1.01 0.70 119.26 125.00 3d4m h ALA 32 Ca 0.16 0.07 -0.02 0.00 0.00 0.00 0.00 54.91 55.12 3d4m h ALA 32 Cb 0.07 0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.97 3d4m h ALA 32 CO -0.11 -0.47 0.11 1.15 0.00 0.00 0.00 179.25 179.93 3d4m h THR 33 N 0.02 1.18 -0.83 0.00 2.02 -0.38 0.16 112.91 115.07 3d4m h THR 33 Ca 0.09 -0.54 0.00 0.00 0.77 0.00 0.00 66.41 66.73 3d4m h THR 33 Cb 0.13 1.02 -0.04 0.00 -1.74 0.00 0.00 68.15 67.52 3d4m h THR 33 CO -0.18 0.19 0.52 -0.07 0.37 0.00 0.00 175.52 176.35 3d4m h LEU 34 N 0.30 0.98 -0.28 2.58 3.38 -0.48 -1.65 115.31 120.14 3d4m h LEU 34 Ca 0.09 -0.05 -0.03 0.00 0.09 0.00 0.00 57.88 57.98 3d4m h LEU 34 Cb 0.19 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 40.68 3d4m h LEU 34 CO -0.01 0.74 0.05 -1.28 0.09 0.00 0.00 178.44 178.04 3d4m h SER 35 N 1.14 0.45 -0.11 -0.43 0.87 -0.63 0.16 113.55 115.00 3d4m h SER 35 Ca 0.30 -0.25 0.04 0.00 -1.23 0.00 0.00 61.79 60.65 3d4m h SER 35 Cb -0.08 -0.12 -0.05 0.00 -0.44 0.00 0.00 62.40 61.71 3d4m h SER 35 CO -0.06 0.58 -0.19 0.74 -0.53 0.00 0.00 176.83 177.37 3d4m h THR 36 N 0.29 0.52 0.05 2.23 2.02 -0.31 0.43 112.91 118.13 3d4m h THR 36 Ca 0.09 0.00 -0.00 0.00 0.77 0.00 0.00 66.41 67.26 3d4m h THR 36 Cb 0.32 0.52 0.00 0.00 -1.74 0.00 0.00 68.15 67.26 3d4m h THR 36 CO 0.00 0.00 -0.02 -0.07 0.37 0.00 0.00 175.52 175.80 3d4m h LEU 37 N -0.25 -0.06 0.00 2.58 3.38 -1.21 0.25 115.31 120.00 3d4m h LEU 37 Ca 0.09 -0.28 -0.26 0.00 0.09 0.00 0.00 57.88 57.52 3d4m h LEU 37 Cb 0.39 0.01 -0.05 0.00 0.09 0.00 0.00 40.66 41.10 3d4m h LEU 37 CO -0.25 0.25 -1.95 0.49 0.09 0.00 0.00 178.44 177.07 3d4m n PHE 38 N -4.98 0.48 -0.11 1.13 3.01 0.54 -0.28 117.46 117.26 3d4m n PHE 38 Ca -0.08 0.17 -0.22 0.00 1.01 0.00 0.00 57.45 58.32 3d4m n PHE 38 Cb 0.18 -1.01 -0.08 0.00 -0.01 0.00 0.00 39.48 38.56 3d4m n PHE 38 CO 0.00 0.00 0.00 1.04 1.01 0.00 0.00 176.76 178.81 3d4m n GLN 39 N -2.80 0.46 -0.03 -1.08 6.02 0.12 -3.43 117.38 116.64 3d4m n GLN 39 Ca -0.20 0.19 -0.15 0.00 -0.01 0.00 0.00 57.00 56.83 3d4m n GLN 39 Cb 0.99 -1.27 -0.10 0.00 1.02 0.00 0.00 30.24 30.88 3d4m n GLN 39 CO 0.00 0.00 0.00 1.49 -1.01 0.00 0.00 177.06 177.54 3d4m h GLU 40 N -0.71 0.34 -0.03 -1.09 4.81 -0.70 -3.34 114.58 113.87 3d4m h GLU 40 Ca -0.54 -0.29 0.00 0.00 -0.13 0.00 0.00 59.36 58.40 3d4m h GLU 40 Cb 1.50 0.07 0.00 0.00 0.63 0.00 0.00 28.75 30.94 3d4m h GLU 40 CO -0.31 0.95 -0.07 1.28 -0.73 0.00 0.00 179.01 180.13 3d4m n LEU 41 N -4.39 2.80 -3.14 1.64 4.77 0.88 -4.97 117.00 114.57 3d4m n LEU 41 Ca -0.09 -0.96 -0.23 0.00 -0.03 0.00 0.00 56.01 54.70 3d4m n LEU 41 Cb 0.53 0.00 0.03 0.00 -2.33 0.00 0.00 43.42 41.65 3d4m n LEU 41 CO 0.42 0.47 0.01 0.59 -1.33 0.00 0.00 177.39 177.56 3d4m n ASN 42 N 1.11 -5.73 -4.70 -1.43 3.02 -0.95 -4.91 115.26 101.67 3d4m n ASN 42 Ca 0.13 -0.33 -0.42 0.00 -0.03 0.00 0.00 54.58 53.92 3d4m n ASN 42 Cb 0.56 -4.63 -0.03 0.00 -0.61 0.00 0.00 39.78 35.08 3d4m n ASN 42 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 3d4m s VAL 43 N -3.15 2.54 0.14 2.41 1.01 0.62 -4.90 120.40 119.08 3d4m s VAL 43 Ca 0.35 0.21 -0.31 0.00 0.00 0.00 0.00 61.98 62.22 3d4m s VAL 43 Cb -0.16 -3.13 -0.10 0.00 0.00 0.00 0.00 36.38 32.98 3d4m s VAL 43 CO 0.43 0.01 1.74 -2.84 0.00 0.00 0.00 175.10 174.44 3d4m s PRO 44 N 2.09 4.15 0.44 2.72 0.02 -1.26 -4.61 135.00 138.55 3d4m s PRO 44 Ca 0.76 2.53 0.14 0.00 0.02 0.00 0.00 61.00 64.45 3d4m s PRO 44 Cb -0.45 -3.40 0.99 0.00 0.02 0.00 0.00 34.50 31.66 3d4m s PRO 44 CO 0.34 -0.77 1.99 0.87 -0.33 0.00 0.00 177.00 179.10 3d4m h LYS 45 N 7.84 0.03 0.00 5.54 1.57 -1.93 0.27 116.57 129.89 3d4m h LYS 45 Ca -0.44 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.33 3d4m h LYS 45 Cb 1.21 -0.01 0.00 0.00 0.08 0.00 0.00 32.23 33.51 3d4m h LYS 45 CO 0.94 0.19 0.00 -1.13 -0.57 0.00 0.00 179.45 178.89 3d4m n SER 46 N -4.33 0.56 -1.30 0.86 3.41 -1.26 -1.19 113.62 110.37 3d4m n SER 46 Ca -0.02 0.70 0.08 0.00 -0.26 0.00 0.00 58.87 59.37 3d4m n SER 46 Cb 0.24 -0.80 0.31 0.00 -0.26 0.00 0.00 64.21 63.70 3d4m n SER 46 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 3d4m n LYS 47 N -2.19 3.64 -4.16 4.33 5.02 0.08 -4.95 118.16 119.93 3d4m n LYS 47 Ca 0.00 -2.84 -0.17 0.00 -2.02 0.00 0.00 58.31 53.28 3d4m n LYS 47 Cb 0.12 -1.90 -0.11 0.00 -0.02 0.00 0.00 35.03 33.12 3d4m n LYS 47 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3d4m s ALA 48 N -2.34 1.11 -0.15 7.82 0.00 -0.33 -1.58 121.76 126.28 3d4m s ALA 48 Ca 0.45 -1.05 0.00 0.00 0.00 0.00 0.00 51.96 51.37 3d4m s ALA 48 Cb 0.33 -0.04 0.02 0.00 0.00 0.00 0.00 23.12 23.43 3d4m s ALA 48 CO 0.16 0.08 -0.14 -1.17 0.00 0.00 0.00 175.76 174.69 3d4m s LEU 49 N -1.97 1.68 -0.16 0.00 2.96 0.57 -4.96 118.68 116.80 3d4m s LEU 49 Ca -0.00 -0.49 0.01 0.00 -0.22 0.00 0.00 54.13 53.42 3d4m s LEU 49 Cb -0.08 -1.16 0.01 0.00 0.50 0.00 0.00 46.19 45.46 3d4m s LEU 49 CO 0.02 -0.06 -0.18 -0.69 -1.32 0.00 0.00 176.35 174.11 3d4m s VAL 50 N 1.50 2.36 -0.10 1.68 1.01 -1.26 -0.49 120.40 125.09 3d4m s VAL 50 Ca 0.05 -0.86 -0.04 0.00 0.00 0.00 0.00 61.98 61.13 3d4m s VAL 50 Cb -0.13 -1.99 -0.04 0.00 0.00 0.00 0.00 36.38 34.23 3d4m s VAL 50 CO -0.10 0.52 0.04 -0.76 0.00 0.00 0.00 175.10 174.80 3d4m s LEU 51 N 1.02 3.80 -0.51 3.92 1.43 0.88 -4.96 118.68 124.25 3d4m s LEU 51 Ca -0.02 0.22 -0.08 0.00 -1.03 0.00 0.00 54.13 53.22 3d4m s LEU 51 Cb -0.15 -1.89 0.13 0.00 0.03 0.00 0.00 46.19 44.32 3d4m s LEU 51 CO -0.05 0.37 0.38 -1.61 0.23 0.00 0.00 176.35 175.67 3d4m s GLU 52 N -0.81 2.52 0.44 1.70 0.41 -1.26 -0.20 118.70 121.51 3d4m s GLU 52 Ca 0.13 -1.94 0.09 0.00 -0.41 0.00 0.00 54.97 52.84 3d4m s GLU 52 Cb -0.12 -3.90 0.97 0.00 -1.78 0.00 0.00 34.13 29.30 3d4m s GLU 52 CO 0.03 -1.19 2.08 -0.07 -0.49 0.00 0.00 175.26 175.62 3d4m h LEU 53 N 8.15 0.34 -0.07 1.80 3.38 -1.24 -0.96 115.31 126.71 3d4m h LEU 53 Ca -0.15 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.81 3d4m h LEU 53 Cb 1.05 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 41.71 3d4m h LEU 53 CO 0.81 0.25 -0.07 -0.90 0.09 0.00 0.00 178.44 178.63 3d4m n ASP 54 N -4.49 0.18 -0.99 -0.43 5.75 -1.26 -2.57 116.55 112.73 3d4m n ASP 54 Ca 0.01 -0.18 0.11 0.00 -0.01 0.00 0.00 54.79 54.72 3d4m n ASP 54 Cb 0.07 -0.22 0.27 0.00 -1.03 0.00 0.00 41.12 40.20 3d4m n ASP 54 CO 0.00 0.00 0.00 -0.62 -0.11 0.00 0.00 177.20 176.47 3d4m n GLU 55 N -1.23 2.28 -4.94 0.11 1.02 -0.37 -4.92 120.64 112.59 3d4m n GLU 55 Ca 0.13 -1.95 -0.27 0.00 -0.02 0.00 0.00 57.16 55.05 3d4m n GLU 55 Cb 0.27 -1.47 -0.16 0.00 -0.02 0.00 0.00 31.44 30.07 3d4m n GLU 55 CO 0.00 0.00 0.00 -1.64 1.18 0.00 0.00 177.13 176.67 3d4m s MET 56 N -1.49 1.71 0.32 3.49 -1.94 -1.06 -5.02 119.30 115.31 3d4m s MET 56 Ca 0.37 -0.68 0.04 0.00 -1.71 0.00 0.00 55.69 53.71 3d4m s MET 56 Cb 0.21 -1.58 0.53 0.00 2.01 0.00 0.00 34.83 36.00 3d4m s MET 56 CO 0.29 0.36 1.81 0.66 -0.01 0.00 0.00 175.02 178.13 3d4m h SER 57 N 5.87 0.47 -0.24 3.03 4.64 -1.91 -1.72 113.55 123.69 3d4m h SER 57 Ca -0.36 -0.12 0.00 0.00 -0.47 0.00 0.00 61.79 60.84 3d4m h SER 57 Cb 1.15 -0.12 0.00 0.00 -0.31 0.00 0.00 62.40 63.12 3d4m h SER 57 CO 0.48 0.62 0.00 -0.46 -0.87 0.00 0.00 176.83 176.60 3d4m n ASN 58 N -4.21 1.66 -0.33 4.97 6.94 -1.26 -4.48 115.26 118.55 3d4m n ASN 58 Ca 0.01 -1.83 0.09 0.00 -0.02 0.00 0.00 54.58 52.82 3d4m n ASN 58 Cb 0.31 -0.16 0.26 0.00 -2.36 0.00 0.00 39.78 37.83 3d4m n ASN 58 CO 0.00 0.00 0.00 1.23 -1.03 0.00 0.00 177.26 177.46 3d4m h GLY 59 N 5.15 1.56 1.03 4.83 0.00 -1.35 -0.41 103.07 113.88 3d4m h GLY 59 Ca 0.00 -0.32 -0.06 0.00 0.00 0.00 0.00 47.33 46.95 3d4m h GLY 59 CO 0.00 -0.01 0.16 0.23 0.00 0.00 0.00 176.54 176.92 3d4m h SER 60 N 0.74 0.95 0.38 0.19 0.87 -1.79 -0.25 113.55 114.65 3d4m h SER 60 Ca 0.51 -0.23 -0.19 0.00 -1.23 0.00 0.00 61.79 60.65 3d4m h SER 60 Cb 0.70 -0.25 -0.01 0.00 -0.44 0.00 0.00 62.40 62.40 3d4m h SER 60 CO -0.35 0.94 -0.78 1.05 -0.53 0.00 0.00 176.83 177.16 3d4m h GLU 61 N 0.93 0.32 -0.36 2.24 4.11 -1.61 -1.47 114.58 118.73 3d4m h GLU 61 Ca 0.20 -0.28 0.02 0.00 0.07 0.00 0.00 59.36 59.37 3d4m h GLU 61 Cb 0.35 0.07 -0.03 0.00 0.50 0.00 0.00 28.75 29.64 3d4m h GLU 61 CO 0.00 0.95 0.19 0.82 0.07 0.00 0.00 179.01 181.04 3d4m h ILE 62 N 0.20 1.00 -0.72 -1.06 2.04 -0.88 0.17 117.51 118.27 3d4m h ILE 62 Ca -0.04 -0.13 0.01 0.00 1.00 0.00 0.00 64.86 65.70 3d4m h ILE 62 Cb 1.37 0.58 -0.04 0.00 -0.74 0.00 0.00 36.82 37.99 3d4m h ILE 62 CO 0.13 0.07 0.47 -0.61 0.00 0.00 0.00 178.15 178.21 3d4m h GLN 63 N 0.38 0.93 -0.75 2.37 4.15 -0.80 0.26 115.11 121.66 3d4m h GLN 63 Ca 0.15 -0.06 -0.04 0.00 0.77 0.00 0.00 58.65 59.47 3d4m h GLN 63 Cb 0.04 -0.21 -0.03 0.00 0.21 0.00 0.00 27.48 27.49 3d4m h GLN 63 CO -0.09 0.62 0.31 -0.44 -1.93 0.00 0.00 178.83 177.29 3d4m h ASP 64 N 0.96 1.02 -0.48 -0.69 3.32 -0.73 -0.22 116.42 119.60 3d4m h ASP 64 Ca 0.27 -0.17 -0.05 0.00 0.02 0.00 0.00 57.03 57.10 3d4m h ASP 64 Cb -0.08 -0.26 -0.02 0.00 0.22 0.00 0.00 39.33 39.18 3d4m h ASP 64 CO -0.07 0.91 0.09 0.00 -1.72 0.00 0.00 179.24 178.45 3d4m h ALA 65 N 1.15 0.63 -0.76 3.45 0.00 0.18 0.23 119.26 124.14 3d4m h ALA 65 Ca 0.25 -0.22 0.06 0.00 0.00 0.00 0.00 54.91 55.00 3d4m h ALA 65 Cb 0.20 -0.18 -0.06 0.00 0.00 0.00 0.00 17.79 17.75 3d4m h ALA 65 CO -0.02 0.34 0.46 -0.07 0.00 0.00 0.00 179.25 179.96 3d4m h LEU 66 N 0.65 0.71 -0.50 0.00 3.38 -0.14 0.35 115.31 119.76 3d4m h LEU 66 Ca 0.15 0.02 -0.06 0.00 0.09 0.00 0.00 57.88 58.08 3d4m h LEU 66 Cb 0.36 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 40.97 3d4m h LEU 66 CO 0.01 0.46 0.09 -0.08 0.09 0.00 0.00 178.44 179.01 3d4m h GLU 67 N 0.85 0.83 -0.87 1.13 4.81 -0.55 -0.02 114.58 120.75 3d4m h GLU 67 Ca 0.33 -0.22 0.03 0.00 -0.13 0.00 0.00 59.36 59.37 3d4m h GLU 67 Cb 0.16 -0.10 -0.05 0.00 0.63 0.00 0.00 28.75 29.39 3d4m h GLU 67 CO -0.17 0.82 0.56 0.93 -0.73 0.00 0.00 179.01 180.43 3d4m h GLU 68 N 0.71 1.07 -0.08 1.92 5.08 0.50 1.94 114.58 125.71 3d4m h GLU 68 Ca 0.15 -0.06 -0.02 0.00 -1.00 0.00 0.00 59.36 58.43 3d4m h GLU 68 Cb 0.39 -0.24 -0.00 0.00 0.50 0.00 0.00 28.75 29.39 3d4m h GLU 68 CO 0.01 0.71 -0.03 0.82 -1.00 0.00 0.00 179.01 179.51 3d4m h ILE 69 N 1.10 1.31 0.00 3.13 2.04 -0.00 -3.37 117.51 121.72 3d4m h ILE 69 Ca 0.34 -1.02 0.00 0.00 1.00 0.00 0.00 64.86 65.19 3d4m h ILE 69 Cb -0.01 1.82 0.00 0.00 -0.74 0.00 0.00 36.82 37.89 3d4m h ILE 69 CO -0.11 0.28 -0.87 -1.54 0.00 0.00 0.00 178.15 175.91 3d4m n SER 70 N -4.77 1.80 0.00 1.72 3.41 -0.05 -4.98 113.62 110.75 3d4m n SER 70 Ca -0.07 -0.33 0.00 0.00 -0.26 0.00 0.00 58.87 58.21 3d4m n SER 70 Cb 0.25 1.19 0.00 0.00 -0.26 0.00 0.00 64.21 65.39 3d4m n SER 70 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3d4m n GLY 71 N 1.62 1.99 3.72 5.00 0.00 0.66 -5.01 105.19 113.17 3d4m n GLY 71 Ca -0.00 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 3d4m n GLY 71 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 3d4m s GLN 72 N -0.08 4.60 -0.00 1.61 0.74 -1.25 -4.92 119.66 120.35 3d4m s GLN 72 Ca 0.00 1.43 0.12 0.00 0.05 0.00 0.00 55.36 56.95 3d4m s GLN 72 Cb 0.00 -3.43 -0.13 0.00 1.10 0.00 0.00 33.01 30.54 3d4m s GLN 72 CO 0.00 0.03 0.48 0.36 -0.55 0.00 0.00 175.29 175.61 3d4m n LYS 73 N 3.56 2.96 -3.99 1.67 -0.00 -1.26 -3.13 118.16 117.97 3d4m n LYS 73 Ca 0.05 -0.01 -0.25 0.00 -0.00 0.00 0.00 58.31 58.10 3d4m n LYS 73 Cb 0.50 -1.07 -0.04 0.00 -0.00 0.00 0.00 35.03 34.43 3d4m n LYS 73 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.40 178.35 3d4m s THR 74 N -2.15 5.09 0.05 0.58 -4.23 -1.26 -5.03 115.64 108.69 3d4m s THR 74 Ca 0.04 -0.83 0.04 0.00 -1.18 0.00 0.00 61.69 59.75 3d4m s THR 74 Cb 0.09 -3.64 -0.04 0.00 1.34 0.00 0.00 72.50 70.25 3d4m s THR 74 CO 0.48 -0.13 -0.02 0.68 -0.54 0.00 0.00 174.62 175.10 3d4m s VAL 75 N -1.78 3.96 0.64 2.29 -7.23 -1.26 -4.15 120.40 112.87 3d4m s VAL 75 Ca 0.34 -0.84 -0.12 0.00 -1.81 0.00 0.00 61.98 59.54 3d4m s VAL 75 Cb -0.10 -2.82 -0.02 0.00 0.56 0.00 0.00 36.38 33.99 3d4m s VAL 75 CO 0.27 0.25 1.04 -2.16 -0.31 0.00 0.00 175.10 174.19 3d4m s PRO 76 N -1.91 3.32 -0.15 4.82 0.04 -1.26 -4.65 135.00 135.20 3d4m s PRO 76 Ca 0.22 0.91 -0.01 0.00 0.04 0.00 0.00 61.00 62.17 3d4m s PRO 76 Cb -0.11 -2.04 0.04 0.00 0.04 0.00 0.00 34.50 32.42 3d4m s PRO 76 CO 0.14 -0.79 -0.04 1.21 0.04 0.00 0.00 177.00 177.56 3d4m s ASN 77 N -3.73 2.64 -0.11 6.66 3.84 0.50 -3.99 114.94 120.74 3d4m s ASN 77 Ca 0.58 -0.58 0.00 0.00 0.21 0.00 0.00 52.86 53.07 3d4m s ASN 77 Cb -0.13 -0.82 -0.02 0.00 -0.55 0.00 0.00 41.25 39.74 3d4m s ASN 77 CO 0.50 -0.19 -0.11 -0.69 -2.79 0.00 0.00 177.10 173.81 3d4m s VAL 78 N 1.70 3.25 0.02 -5.21 1.01 0.99 -0.35 120.40 121.81 3d4m s VAL 78 Ca 0.01 -0.61 0.07 0.00 0.00 0.00 0.00 61.98 61.45 3d4m s VAL 78 Cb -0.15 -2.35 -0.02 0.00 0.00 0.00 0.00 36.38 33.86 3d4m s VAL 78 CO -0.07 0.54 -0.21 -0.31 0.00 0.00 0.00 175.10 175.05 3d4m s TYR 79 N 0.01 1.84 -0.04 5.22 1.51 -0.18 0.26 117.35 125.97 3d4m s TYR 79 Ca -0.03 -0.36 0.02 0.00 -1.01 0.00 0.00 57.07 55.69 3d4m s TYR 79 Cb -0.14 -1.13 0.01 0.00 -0.11 0.00 0.00 41.96 40.59 3d4m s TYR 79 CO 0.04 0.04 -0.08 0.42 -1.11 0.00 0.00 175.55 174.85 3d4m s ILE 80 N -0.66 0.78 -1.43 2.71 1.01 0.11 0.08 121.20 123.80 3d4m s ILE 80 Ca 0.08 -0.31 -0.08 0.00 0.00 0.00 0.00 60.65 60.34 3d4m s ILE 80 Cb -0.08 -0.73 0.04 0.00 0.01 0.00 0.00 42.46 41.70 3d4m s ILE 80 CO 0.01 0.26 0.62 -3.20 0.00 0.00 0.00 174.94 172.63 3d4m n ASN 81 N 3.63 -5.03 0.00 3.58 4.05 0.36 -1.23 115.26 120.62 3d4m n ASN 81 Ca -0.22 -0.39 0.00 0.00 0.45 0.00 0.00 54.58 54.43 3d4m n ASN 81 Cb 0.53 -4.09 0.00 0.00 1.23 0.00 0.00 39.78 37.45 3d4m n ASN 81 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 177.26 174.82 3d4m n GLY 82 N -1.42 0.34 3.39 8.20 0.00 -1.26 -4.99 105.19 109.45 3d4m n GLY 82 Ca -0.05 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.65 3d4m n GLY 82 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3d4m s LYS 83 N -0.70 2.25 0.02 1.61 -0.14 -0.36 -4.89 119.74 117.53 3d4m s LYS 83 Ca 0.00 -0.85 -0.30 0.00 -1.36 0.00 0.00 55.97 53.46 3d4m s LYS 83 Cb 0.00 -2.19 -0.06 0.00 -1.68 0.00 0.00 37.83 33.91 3d4m s LYS 83 CO 0.00 0.58 1.41 -1.58 -0.76 0.00 0.00 175.35 175.00 3d4m s HIS 84 N -0.69 2.87 -0.24 3.18 2.46 -1.26 -0.71 115.29 120.90 3d4m s HIS 84 Ca 0.11 0.81 -0.11 0.00 0.47 0.00 0.00 55.06 56.34 3d4m s HIS 84 Cb -0.10 -3.68 -0.17 0.00 -0.13 0.00 0.00 32.58 28.50 3d4m s HIS 84 CO 0.00 -2.51 -0.12 -0.89 -2.47 0.00 0.00 174.74 168.76 3d4m n ILE 85 N 4.59 1.55 0.00 0.89 2.08 0.14 -4.90 119.36 123.71 3d4m n ILE 85 Ca 0.13 -0.40 0.00 0.00 0.56 0.00 0.00 62.75 63.04 3d4m n ILE 85 Cb 0.43 -1.78 0.00 0.00 -0.75 0.00 0.00 39.64 37.54 3d4m n ILE 85 CO 0.00 0.00 0.00 0.61 0.56 0.00 0.00 176.55 177.72 3d4m n GLY 86 N 1.64 0.13 0.00 7.39 0.00 -0.92 -4.71 105.19 108.72 3d4m n GLY 86 Ca -0.45 -1.69 0.00 0.00 0.00 0.00 0.00 46.02 43.88 3d4m n GLY 86 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3d4m n GLY 87 N 0.00 2.95 0.32 -0.02 0.00 -1.26 -0.01 105.19 107.18 3d4m n GLY 87 Ca 0.00 -2.11 0.00 0.00 0.00 0.00 0.00 46.02 43.91 3d4m n GLY 87 CO 0.00 0.00 0.00 -0.57 0.00 0.00 0.00 173.32 172.75 3d4m h ASN 88 N 0.00 0.73 -0.37 1.61 -0.73 -1.86 -1.26 115.58 113.70 3d4m h ASN 88 Ca 0.00 -0.06 -0.05 0.00 1.87 0.00 0.00 56.30 58.07 3d4m h ASN 88 Cb 0.00 -0.19 -0.01 0.00 0.27 0.00 0.00 38.32 38.39 3d4m h ASN 88 CO 0.00 0.60 0.04 0.28 -0.37 0.00 0.00 177.43 177.98 3d4m h SER 89 N 0.83 0.61 -0.58 1.15 0.02 -1.96 0.20 113.55 113.82 3d4m h SER 89 Ca 0.21 -0.27 0.02 0.00 -0.84 0.00 0.00 61.79 60.91 3d4m h SER 89 Cb 0.04 -0.16 -0.04 0.00 0.14 0.00 0.00 62.40 62.38 3d4m h SER 89 CO -0.03 0.73 0.36 0.44 -1.14 0.00 0.00 176.83 177.18 3d4m h ASP 90 N 0.46 0.59 -0.26 3.07 3.32 -1.80 -0.04 116.42 121.76 3d4m h ASP 90 Ca 0.11 -0.00 -0.00 0.00 0.02 0.00 0.00 57.03 57.16 3d4m h ASP 90 Cb 0.39 -0.13 -0.01 0.00 0.22 0.00 0.00 39.33 39.80 3d4m h ASP 90 CO 0.01 0.42 0.15 0.25 -1.72 0.00 0.00 179.24 178.35 3d4m h LEU 91 N 0.71 0.31 -0.99 1.55 5.85 -0.67 -0.96 115.31 121.12 3d4m h LEU 91 Ca 0.23 -0.06 0.01 0.00 0.84 0.00 0.00 57.88 58.90 3d4m h LEU 91 Cb -0.00 -0.08 -0.05 0.00 0.37 0.00 0.00 40.66 40.90 3d4m h LEU 91 CO -0.09 0.28 0.65 -0.33 -0.34 0.00 0.00 178.44 178.62 3d4m h GLU 92 N 0.32 1.29 -0.27 1.25 4.39 -0.36 0.33 114.58 121.54 3d4m h GLU 92 Ca 0.09 -0.08 -0.00 0.00 0.34 0.00 0.00 59.36 59.71 3d4m h GLU 92 Cb 0.03 -0.29 -0.01 0.00 -0.10 0.00 0.00 28.75 28.37 3d4m h GLU 92 CO -0.02 0.86 0.17 1.15 -1.16 0.00 0.00 179.01 180.01 3d4m h THR 93 N 1.33 1.09 -0.53 1.13 2.02 -0.41 0.07 112.91 117.62 3d4m h THR 93 Ca 0.37 -0.20 -0.10 0.00 0.77 0.00 0.00 66.41 67.24 3d4m h THR 93 Cb -0.14 0.74 -0.02 0.00 -1.74 0.00 0.00 68.15 66.99 3d4m h THR 93 CO -0.08 0.09 -0.07 -0.07 0.37 0.00 0.00 175.52 175.75 3d4m h LEU 94 N 0.35 0.95 -0.31 2.58 3.38 -0.82 0.25 115.31 121.69 3d4m h LEU 94 Ca 0.10 -0.29 0.02 0.00 0.09 0.00 0.00 57.88 57.80 3d4m h LEU 94 Cb -0.00 -0.26 -0.03 0.00 0.09 0.00 0.00 40.66 40.46 3d4m h LEU 94 CO -0.02 1.05 0.15 0.50 0.09 0.00 0.00 178.44 180.21 3d4m h LYS 95 N 0.87 0.30 -0.15 1.13 3.64 -0.09 -0.51 116.57 121.76 3d4m h LYS 95 Ca 0.14 -0.02 -0.10 0.00 -1.27 0.00 0.00 60.65 59.41 3d4m h LYS 95 Cb 0.61 -0.07 0.00 0.00 -0.41 0.00 0.00 32.23 32.37 3d4m h LYS 95 CO 0.04 0.20 -0.30 0.87 -2.27 0.00 0.00 179.45 177.99 3d4m h LYS 96 N 0.31 0.47 -0.51 1.90 1.57 -0.72 -2.89 116.57 116.70 3d4m h LYS 96 Ca 0.13 -0.30 0.15 0.00 -1.87 0.00 0.00 60.65 58.75 3d4m h LYS 96 Cb 0.06 0.04 -0.02 0.00 0.08 0.00 0.00 32.23 32.38 3d4m h LYS 96 CO -0.10 0.91 0.74 -0.91 -0.57 0.00 0.00 179.45 179.52 3d4m h ASN 97 N 0.09 0.00 0.00 0.86 -0.26 -0.49 -3.45 115.58 112.33 3d4m h ASN 97 Ca 0.01 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 55.75 3d4m h ASN 97 Cb 0.89 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 38.15 3d4m h ASN 97 CO 0.07 0.00 0.00 0.61 -1.06 0.00 0.00 177.43 177.05 3d4m n GLY 98 N -1.52 1.80 0.23 2.83 0.00 -0.99 -4.89 105.19 102.64 3d4m n GLY 98 Ca 0.10 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.23 3d4m n GLY 98 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3d4m h LYS 99 N 2.30 0.00 -0.27 1.61 1.57 -1.49 -3.08 116.57 117.21 3d4m h LYS 99 Ca 0.00 0.00 -0.18 0.00 -1.87 0.00 0.00 60.65 58.60 3d4m h LYS 99 Cb 0.00 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.31 3d4m h LYS 99 CO 0.00 0.18 -0.54 1.25 -0.57 0.00 0.00 179.45 179.78 3d4m h LEU 100 N 0.00 0.90 -0.69 2.94 5.85 -1.44 -0.84 115.31 122.03 3d4m h LEU 100 Ca -0.00 -0.48 -0.10 0.00 0.84 0.00 0.00 57.88 58.14 3d4m h LEU 100 Cb 0.73 -0.26 -0.02 0.00 0.37 0.00 0.00 40.66 41.49 3d4m h LEU 100 CO 0.02 1.26 -0.11 0.00 -0.34 0.00 0.00 178.44 179.27 3d4m h ALA 101 N 0.76 0.88 0.01 1.25 0.00 -1.80 0.21 119.26 120.58 3d4m h ALA 101 Ca 0.02 -0.34 -0.00 0.00 0.00 0.00 0.00 54.91 54.59 3d4m h ALA 101 Cb 1.13 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.73 3d4m h ALA 101 CO 0.12 0.64 -0.00 1.05 0.00 0.00 0.00 179.25 181.05 3d4m h GLU 102 N 0.81 -0.01 -0.92 0.00 -0.00 -1.54 -1.14 114.58 111.77 3d4m h GLU 102 Ca 0.13 0.00 0.05 0.00 -0.00 0.00 0.00 59.36 59.54 3d4m h GLU 102 Cb 0.64 0.00 -0.06 0.00 -0.00 0.00 0.00 28.75 29.33 3d4m h GLU 102 CO 0.04 -0.01 0.60 0.82 -0.00 0.00 0.00 179.01 180.47 3d4m h ILE 103 N -0.01 1.12 0.00 -1.06 2.04 -0.67 -2.53 117.51 116.39 3d4m h ILE 103 Ca -0.00 -0.38 0.00 0.00 1.00 0.00 0.00 64.86 65.48 3d4m h ILE 103 Cb 0.01 -0.09 0.00 0.00 -0.74 0.00 0.00 36.82 36.00 3d4m h ILE 103 CO 0.00 0.20 -0.19 -0.07 0.00 0.00 0.00 178.15 178.10 3d4m h LEU 104 N 1.11 0.00 -0.97 1.44 3.38 -0.46 -3.39 115.31 116.42 3d4m h LEU 104 Ca 0.38 -0.02 0.26 0.00 0.09 0.00 0.00 57.88 58.60 3d4m h LEU 104 Cb 0.10 0.00 -0.18 0.00 0.09 0.00 0.00 40.66 40.67 3d4m h LEU 104 CO -0.13 0.01 0.04 0.11 0.09 0.00 0.00 178.44 178.56 3d4m h LYS 105 N 0.00 0.02 -0.94 1.13 1.79 -0.75 0.39 116.57 118.22 3d4m h LYS 105 Ca 0.00 -0.00 0.08 0.00 -2.18 0.00 0.00 60.65 58.55 3d4m h LYS 105 Cb 0.91 -0.01 -0.07 0.00 -1.58 0.00 0.00 32.23 31.49 3d4m h LYS 105 CO 0.00 0.02 0.60 -1.00 -1.08 0.00 0.00 179.45 177.99 3d4m h PRO 106 N 0.02 0.99 -0.02 3.15 0.13 -1.79 -2.26 132.00 132.22 3d4m h PRO 106 Ca 0.59 -0.06 0.00 0.00 -0.87 0.00 0.00 66.00 65.66 3d4m h PRO 106 Cb 1.20 -0.22 -0.00 0.00 0.13 0.00 0.00 31.00 32.11 3d4m h PRO 106 CO -0.89 0.65 0.02 0.28 -0.23 0.00 0.00 178.00 177.83 3d4m h VAL 107 N 1.02 0.46 0.00 1.56 2.07 -0.50 -0.68 116.25 120.17 3d4m h VAL 107 Ca 0.42 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.94 3d4m h VAL 107 Cb 0.29 0.98 0.00 0.00 -1.52 0.00 0.00 31.29 31.05 3d4m h VAL 107 CO -0.18 0.00 -1.36 0.49 0.02 0.00 0.00 177.57 176.54 3d4m n PHE 108 N -3.75 0.32 0.84 1.57 3.01 -0.89 -4.84 117.46 113.71 3d4m n PHE 108 Ca -0.03 0.09 0.07 0.00 1.01 0.00 0.00 57.45 58.59 3d4m n PHE 108 Cb 0.10 -0.55 0.40 0.00 -0.01 0.00 0.00 39.48 39.42 3d4m n PHE 108 CO 0.00 0.00 0.00 1.04 1.01 0.00 0.00 176.76 178.81