#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dat s SER 2 N 0.00 3.08 -0.23 1.61 1.04 -1.26 -5.13 113.70 112.82 2dat s SER 2 Ca 0.00 -0.73 -0.10 0.00 0.48 0.00 0.00 55.95 55.61 2dat s SER 2 Cb 0.00 -0.20 -0.05 0.00 0.10 0.00 0.00 66.02 65.88 2dat s SER 2 CO 0.00 0.15 0.14 -0.55 0.98 0.00 0.00 173.24 173.96 2dat s SER 3 N -1.99 5.97 0.00 7.02 0.15 -1.26 -4.77 113.70 118.83 2dat s SER 3 Ca 0.12 0.08 0.00 0.00 0.70 0.00 0.00 55.95 56.85 2dat s SER 3 Cb -0.10 -2.07 0.00 0.00 -1.71 0.00 0.00 66.02 62.14 2dat s SER 3 CO 0.05 0.07 0.00 0.61 1.20 0.00 0.00 173.24 175.18 2dat n GLY 4 N 4.24 -1.00 3.81 9.45 0.00 -1.26 -4.98 105.19 115.46 2dat n GLY 4 Ca -0.15 0.47 -0.28 0.00 0.00 0.00 0.00 46.02 46.06 2dat n GLY 4 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2dat n SER 5 N 0.00 -2.67 -0.06 1.61 7.64 -1.26 -4.90 113.62 113.98 2dat n SER 5 Ca 0.00 -1.00 -0.09 0.00 1.01 0.00 0.00 58.87 58.79 2dat n SER 5 Cb 0.00 -3.26 -0.05 0.00 -1.01 0.00 0.00 64.21 59.89 2dat n SER 5 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 2dat n SER 6 N -2.83 2.81 -4.94 6.43 3.41 -1.26 -5.05 113.62 112.18 2dat n SER 6 Ca -0.21 -0.04 -0.19 0.00 -0.26 0.00 0.00 58.87 58.17 2dat n SER 6 Cb 0.64 -0.21 -0.01 0.00 -0.26 0.00 0.00 64.21 64.37 2dat n SER 6 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 2dat s GLY 7 N -5.17 1.97 0.04 5.00 0.00 -1.26 -5.14 107.32 102.75 2dat s GLY 7 Ca -0.16 -1.73 0.00 0.00 0.00 0.00 0.00 44.72 42.83 2dat s GLY 7 CO 0.27 -1.57 -0.04 -1.35 0.00 0.00 0.00 173.10 170.41 2dat s SER 8 N -4.21 0.45 -0.46 1.64 1.04 -1.26 -5.11 113.70 105.80 2dat s SER 8 Ca 0.50 -0.66 -0.28 0.00 0.48 0.00 0.00 55.95 55.99 2dat s SER 8 Cb -0.07 0.11 -0.02 0.00 0.10 0.00 0.00 66.02 66.15 2dat s SER 8 CO 0.30 -0.37 1.77 -2.16 0.98 0.00 0.00 173.24 173.76 2dat s PRO 9 N -2.21 3.08 0.37 4.02 0.04 -1.26 -4.94 135.00 134.10 2dat s PRO 9 Ca -0.08 1.02 -0.14 0.00 0.04 0.00 0.00 61.00 61.84 2dat s PRO 9 Cb -0.05 -4.25 -0.11 0.00 0.04 0.00 0.00 34.50 30.13 2dat s PRO 9 CO -0.03 -2.17 -0.08 0.09 0.04 0.00 0.00 177.00 174.85 2dat n ASN 10 N 11.08 -2.68 -4.69 6.66 3.02 -1.26 -4.90 115.26 122.49 2dat n ASN 10 Ca 0.21 0.50 -0.29 0.00 -0.03 0.00 0.00 54.58 54.97 2dat n ASN 10 Cb 0.49 -0.63 0.16 0.00 -0.61 0.00 0.00 39.78 39.19 2dat n ASN 10 CO 0.00 0.00 0.00 -2.16 -2.62 0.00 0.00 177.26 172.48 2dat s PRO 11 N -0.74 0.73 0.19 3.52 0.04 -1.26 -4.78 135.00 132.69 2dat s PRO 11 Ca 0.42 0.63 0.21 0.00 0.04 0.00 0.00 61.00 62.31 2dat s PRO 11 Cb -0.38 -1.76 0.88 0.00 0.04 0.00 0.00 34.50 33.28 2dat s PRO 11 CO 0.49 -2.56 1.64 -0.35 0.04 0.00 0.00 177.00 176.26 2dat n PRO 12 N -4.07 0.14 0.07 0.56 -0.04 -1.26 -1.65 135.00 128.74 2dat n PRO 12 Ca 0.06 0.38 -0.23 0.00 -0.04 0.00 0.00 63.50 63.67 2dat n PRO 12 Cb 0.56 -1.77 -0.15 0.00 -0.04 0.00 0.00 33.50 32.11 2dat n PRO 12 CO 0.00 0.00 0.00 -0.22 -0.04 0.00 0.00 175.50 175.24 2dat h LYS 13 N 0.00 0.38 0.01 0.54 3.64 -1.99 -3.21 116.57 115.94 2dat h LYS 13 Ca 0.00 -0.65 -0.00 0.00 -1.27 0.00 0.00 60.65 58.73 2dat h LYS 13 Cb 0.33 0.24 0.00 0.00 -0.41 0.00 0.00 32.23 32.39 2dat h LYS 13 CO 0.00 1.31 -0.00 1.25 -2.27 0.00 0.00 179.45 179.74 2dat h LEU 14 N 0.02 -0.01 -0.40 5.20 6.46 -1.89 -2.90 115.31 121.79 2dat h LEU 14 Ca -0.32 -0.81 0.08 0.00 -0.12 0.00 0.00 57.88 56.71 2dat h LEU 14 Cb 2.03 0.00 -0.09 0.00 -0.73 0.00 0.00 40.66 41.88 2dat h LEU 14 CO 0.17 0.85 -0.18 0.74 -0.62 0.00 0.00 178.44 179.40 2dat h THR 15 N -0.91 0.45 -0.70 1.05 2.02 -1.51 -0.09 112.91 113.22 2dat h THR 15 Ca -0.00 0.00 -0.01 0.00 0.77 0.00 0.00 66.41 67.17 2dat h THR 15 Cb 0.82 0.45 -0.03 0.00 -1.74 0.00 0.00 68.15 67.65 2dat h THR 15 CO 0.00 0.00 0.39 0.11 0.37 0.00 0.00 175.52 176.39 2dat h LYS 16 N -0.10 0.95 -0.00 6.66 1.57 -1.68 -2.72 116.57 121.24 2dat h LYS 16 Ca 0.20 -0.10 0.02 0.00 -1.87 0.00 0.00 60.65 58.90 2dat h LYS 16 Cb 0.40 -0.20 -0.02 0.00 0.08 0.00 0.00 32.23 32.50 2dat h LYS 16 CO -0.47 0.69 -0.09 0.37 -0.57 0.00 0.00 179.45 179.39 2dat h GLN 17 N 0.97 -0.14 -0.28 3.15 4.15 -0.83 -0.00 115.11 122.12 2dat h GLN 17 Ca 0.25 0.01 0.05 0.00 0.77 0.00 0.00 58.65 59.73 2dat h GLN 17 Cb 0.01 0.03 -0.05 0.00 0.21 0.00 0.00 27.48 27.68 2dat h GLN 17 CO -0.04 -0.10 -0.02 0.52 -1.93 0.00 0.00 178.83 177.26 2dat h MET 18 N -0.15 0.06 -0.60 1.69 2.86 -1.04 -2.14 114.93 115.61 2dat h MET 18 Ca 0.04 -0.00 0.03 0.00 -2.06 0.00 0.00 59.70 57.70 2dat h MET 18 Cb 0.19 -0.01 -0.04 0.00 0.06 0.00 0.00 31.60 31.80 2dat h MET 18 CO -0.09 0.04 0.37 -0.91 1.06 0.00 0.00 176.91 177.37 2dat h ASN 19 N 0.06 0.60 -0.65 1.22 2.35 -1.22 -2.29 115.58 115.65 2dat h ASN 19 Ca 0.13 0.00 0.13 0.00 -0.55 0.00 0.00 56.30 56.01 2dat h ASN 19 Cb 0.19 -0.13 -0.09 0.00 0.05 0.00 0.00 38.32 38.34 2dat h ASN 19 CO -0.24 0.42 0.17 0.00 -1.65 0.00 0.00 177.43 176.13 2dat h ALA 20 N 1.26 0.81 0.34 -0.83 0.00 -0.36 0.48 119.26 120.97 2dat h ALA 20 Ca 0.24 0.13 -0.02 0.00 0.00 0.00 0.00 54.91 55.27 2dat h ALA 20 Cb 0.02 0.17 0.00 0.00 0.00 0.00 0.00 17.79 17.98 2dat h ALA 20 CO -0.10 -0.29 -0.17 0.82 0.00 0.00 0.00 179.25 179.51 2dat h ILE 21 N 0.30 0.00 0.12 0.00 2.04 -0.99 -2.30 117.51 116.67 2dat h ILE 21 Ca 0.35 -0.08 0.01 0.00 1.00 0.00 0.00 64.86 66.13 2dat h ILE 21 Cb 0.54 0.00 -0.03 0.00 -0.74 0.00 0.00 36.82 36.58 2dat h ILE 21 CO -0.42 0.00 -0.40 0.40 0.00 0.00 0.00 178.15 177.72 2dat h ILE 22 N -0.55 0.00 -0.99 -0.67 1.08 -1.28 -1.39 117.51 113.72 2dat h ILE 22 Ca -0.05 0.00 0.20 0.00 -0.39 0.00 0.00 64.86 64.62 2dat h ILE 22 Cb 0.35 0.00 -0.19 0.00 -3.07 0.00 0.00 36.82 33.92 2dat h ILE 22 CO 0.08 0.00 -0.25 -0.67 -0.69 0.00 0.00 178.15 176.61 2dat n ASP 23 N -4.76 -0.37 -0.12 1.72 2.03 0.17 0.17 116.55 115.39 2dat n ASP 23 Ca -0.07 1.70 0.02 0.00 0.52 0.00 0.00 54.79 56.96 2dat n ASP 23 Cb 0.32 -0.51 0.32 0.00 -0.72 0.00 0.00 41.12 40.53 2dat n ASP 23 CO 0.00 0.00 0.00 0.74 -1.92 0.00 0.00 177.20 176.02 2dat h THR 24 N 0.00 1.16 0.00 5.18 2.02 -0.80 -0.73 112.91 119.73 2dat h THR 24 Ca 0.47 -0.31 0.00 0.00 0.77 0.00 0.00 66.41 67.34 2dat h THR 24 Cb 0.72 0.29 0.00 0.00 -1.74 0.00 0.00 68.15 67.42 2dat h THR 24 CO -1.02 0.16 0.00 0.52 0.37 0.00 0.00 175.52 175.55 2dat n VAL 25 N -4.44 0.00 -0.32 3.16 0.31 0.46 -2.35 118.33 115.16 2dat n VAL 25 Ca 0.06 0.78 0.18 0.00 -0.01 0.00 0.00 64.34 65.35 2dat n VAL 25 Cb 0.05 -1.78 0.36 0.00 -0.91 0.00 0.00 33.84 31.56 2dat n VAL 25 CO 0.00 0.00 0.00 0.40 -1.32 0.00 0.00 176.83 175.91 2dat h ILE 26 N 0.00 0.20 -0.79 2.52 2.04 -0.78 0.65 117.51 121.35 2dat h ILE 26 Ca 0.00 -0.05 -0.02 0.00 1.00 0.00 0.00 64.86 65.79 2dat h ILE 26 Cb 0.00 0.04 -0.04 0.00 -0.74 0.00 0.00 36.82 36.08 2dat h ILE 26 CO 0.00 0.03 0.43 0.78 0.00 0.00 0.00 178.15 179.39 2dat h ASN 27 N 0.14 0.99 -1.43 1.72 2.35 -1.25 -3.41 115.58 114.69 2dat h ASN 27 Ca 0.63 -0.10 -0.48 0.00 -0.55 0.00 0.00 56.30 55.80 2dat h ASN 27 Cb 1.38 -0.25 0.13 0.00 0.05 0.00 0.00 38.32 39.63 2dat h ASN 27 CO -0.73 0.80 -0.82 0.00 -1.65 0.00 0.00 177.43 175.04 2dat n TYR 28 N -4.42 -1.92 -4.13 1.19 4.19 0.23 -4.93 117.16 107.36 2dat n TYR 28 Ca 0.07 0.44 -0.15 0.00 3.31 0.00 0.00 57.90 61.58 2dat n TYR 28 Cb 0.09 -1.37 -0.11 0.00 0.49 0.00 0.00 39.34 38.44 2dat n TYR 28 CO 0.00 0.00 0.00 -1.59 0.91 0.00 0.00 176.86 176.18 2dat s LYS 29 N -0.79 0.72 -0.04 2.98 -2.85 -1.26 -4.33 119.74 114.17 2dat s LYS 29 Ca 0.46 -0.98 -0.03 0.00 -1.00 0.00 0.00 55.97 54.42 2dat s LYS 29 Cb -0.46 -0.49 -0.01 0.00 -2.06 0.00 0.00 37.83 34.81 2dat s LYS 29 CO 0.51 0.09 -0.06 -3.47 0.10 0.00 0.00 175.35 172.51 2dat n ASP 30 N 1.01 0.47 -3.69 0.03 2.03 -0.82 -4.63 116.55 110.95 2dat n ASP 30 Ca -0.19 0.25 -0.41 0.00 0.52 0.00 0.00 54.79 54.95 2dat n ASP 30 Cb 0.56 -0.58 0.00 0.00 -0.72 0.00 0.00 41.12 40.38 2dat n ASP 30 CO 0.00 0.00 0.00 -0.24 -1.92 0.00 0.00 177.20 175.04 2dat n SER 31 N -2.90 6.76 -4.10 1.67 2.88 -1.26 -4.71 113.62 111.96 2dat n SER 31 Ca -0.02 -3.23 -0.34 0.00 -1.33 0.00 0.00 58.87 53.95 2dat n SER 31 Cb 0.09 -1.37 -0.06 0.00 -0.75 0.00 0.00 64.21 62.12 2dat n SER 31 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 2dat n SER 32 N 2.21 -1.63 0.00 -3.46 2.88 -1.26 -3.19 113.62 109.16 2dat n SER 32 Ca 0.49 -0.90 0.00 0.00 -1.33 0.00 0.00 58.87 57.12 2dat n SER 32 Cb 0.30 -1.45 0.00 0.00 -0.75 0.00 0.00 64.21 62.31 2dat n SER 32 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2dat n GLY 33 N -0.94 1.41 3.49 0.46 0.00 -1.26 -5.07 105.19 103.28 2dat n GLY 33 Ca 0.10 -0.08 -0.14 0.00 0.00 0.00 0.00 46.02 45.90 2dat n GLY 33 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 2dat n ARG 34 N 0.00 0.27 -1.94 1.61 0.63 -1.19 -4.78 116.66 111.26 2dat n ARG 34 Ca 0.00 -0.79 -0.30 0.00 -0.92 0.00 0.00 57.85 55.84 2dat n ARG 34 Cb 0.00 -2.90 -0.04 0.00 0.45 0.00 0.00 32.46 29.97 2dat n ARG 34 CO 0.00 0.00 0.00 -1.14 -2.51 0.00 0.00 177.63 173.98 2dat s GLN 35 N 8.00 2.42 0.22 -0.14 0.74 -1.26 -1.94 119.66 127.70 2dat s GLN 35 Ca 0.88 0.30 -0.11 0.00 0.05 0.00 0.00 55.36 56.48 2dat s GLN 35 Cb -0.24 -4.74 0.32 0.00 1.10 0.00 0.00 33.01 29.45 2dat s GLN 35 CO 0.20 -3.27 1.64 -0.07 -0.55 0.00 0.00 175.29 173.24 2dat h LEU 36 N 18.10 -0.42 -1.71 3.68 4.07 -1.87 0.27 115.31 137.43 2dat h LEU 36 Ca -0.08 0.18 0.48 0.00 0.08 0.00 0.00 57.88 58.55 2dat h LEU 36 Cb 1.09 0.34 -0.07 0.00 1.08 0.00 0.00 40.66 43.10 2dat h LEU 36 CO 1.18 -0.17 1.34 0.77 -1.08 0.00 0.00 178.44 180.48 2dat h SER 37 N 0.07 0.00 -0.11 -0.43 4.64 -1.84 -1.76 113.55 114.11 2dat h SER 37 Ca 0.35 0.00 0.01 0.00 -0.47 0.00 0.00 61.79 61.68 2dat h SER 37 Cb 0.57 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.64 2dat h SER 37 CO -0.62 0.00 -0.08 -0.33 -0.87 0.00 0.00 176.83 174.93 2dat h GLU 38 N 0.00 -0.02 0.00 4.77 5.08 -0.80 1.21 114.58 124.83 2dat h GLU 38 Ca 0.79 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 59.15 2dat h GLU 38 Cb 3.46 0.00 0.00 0.00 0.50 0.00 0.00 28.75 32.71 2dat h GLU 38 CO -0.01 -0.01 0.16 1.33 -1.00 0.00 0.00 179.01 179.48 2dat n VAL 39 N -3.24 0.96 -1.01 3.13 0.24 -0.66 0.55 118.33 118.30 2dat n VAL 39 Ca 0.00 0.69 0.06 0.00 -2.04 0.00 0.00 64.34 63.05 2dat n VAL 39 Cb 0.04 -1.69 0.30 0.00 -1.47 0.00 0.00 33.84 31.03 2dat n VAL 39 CO 0.00 0.00 0.00 0.49 -2.14 0.00 0.00 176.83 175.18 2dat n PHE 40 N -1.97 1.43 -0.02 6.34 3.72 0.40 -4.64 117.46 122.72 2dat n PHE 40 Ca -0.01 -0.92 -0.02 0.00 -0.05 0.00 0.00 57.45 56.46 2dat n PHE 40 Cb 0.18 -0.42 -0.01 0.00 -0.94 0.00 0.00 39.48 38.29 2dat n PHE 40 CO 0.00 0.00 0.00 -0.89 -0.05 0.00 0.00 176.76 175.82 2dat n ILE 41 N -0.20 0.35 -4.57 4.37 2.08 0.19 -1.93 119.36 119.65 2dat n ILE 41 Ca 0.26 0.43 -0.34 0.00 0.56 0.00 0.00 62.75 63.66 2dat n ILE 41 Cb 1.04 -1.71 -0.11 0.00 -0.75 0.00 0.00 39.64 38.11 2dat n ILE 41 CO 0.00 0.00 0.00 -1.10 0.56 0.00 0.00 176.55 176.01 2dat s GLN 42 N -1.36 2.92 0.50 0.38 -0.21 -1.26 -4.00 119.66 116.64 2dat s GLN 42 Ca -0.05 -0.53 -0.08 0.00 0.02 0.00 0.00 55.36 54.72 2dat s GLN 42 Cb 0.01 -2.66 -0.04 0.00 1.00 0.00 0.00 33.01 31.31 2dat s GLN 42 CO 0.07 0.60 0.85 -0.51 -2.12 0.00 0.00 175.29 174.18 2dat s LEU 43 N -0.63 3.56 0.28 2.90 1.43 -1.26 -4.98 118.68 119.98 2dat s LEU 43 Ca 0.10 1.11 -0.29 0.00 -1.03 0.00 0.00 54.13 54.01 2dat s LEU 43 Cb -0.12 -4.08 -0.10 0.00 0.03 0.00 0.00 46.19 41.93 2dat s LEU 43 CO 0.02 -0.62 1.25 -2.16 0.23 0.00 0.00 176.35 175.07 2dat s PRO 44 N -4.67 4.44 0.20 1.29 0.04 -1.26 -4.94 135.00 130.10 2dat s PRO 44 Ca 0.50 2.06 -0.32 0.00 0.04 0.00 0.00 61.00 63.28 2dat s PRO 44 Cb -0.10 -3.14 -0.15 0.00 0.04 0.00 0.00 34.50 31.15 2dat s PRO 44 CO 0.44 -0.10 1.26 0.45 0.04 0.00 0.00 177.00 179.09 2dat n SER 45 N 1.46 1.91 -0.16 6.66 2.88 -1.26 -4.74 113.62 120.37 2dat n SER 45 Ca 0.02 1.14 -0.02 0.00 -1.33 0.00 0.00 58.87 58.68 2dat n SER 45 Cb 0.43 -1.30 0.06 0.00 -0.75 0.00 0.00 64.21 62.65 2dat n SER 45 CO 0.00 0.00 0.00 -0.09 -1.23 0.00 0.00 175.04 173.72 2dat h ARG 46 N 3.66 0.20 -0.71 -1.46 1.12 -1.92 0.14 114.38 115.40 2dat h ARG 46 Ca -0.44 -0.01 0.00 0.00 -1.11 0.00 0.00 59.98 58.42 2dat h ARG 46 Cb 1.32 -0.04 -0.03 0.00 -0.01 0.00 0.00 29.97 31.20 2dat h ARG 46 CO 0.72 0.13 0.46 -0.22 -3.11 0.00 0.00 179.97 177.94 2dat h LYS 47 N 0.20 0.95 0.24 0.20 3.64 -1.98 0.18 116.57 120.01 2dat h LYS 47 Ca 0.25 -0.07 -0.01 0.00 -1.27 0.00 0.00 60.65 59.55 2dat h LYS 47 Cb 0.34 -0.21 0.00 0.00 -0.41 0.00 0.00 32.23 31.96 2dat h LYS 47 CO -0.35 0.65 -0.11 0.93 -2.27 0.00 0.00 179.45 178.30 2dat h GLU 48 N 0.97 -0.31 -2.62 1.90 4.39 -1.63 -3.39 114.58 113.91 2dat h GLU 48 Ca 0.26 0.02 -0.60 0.00 0.34 0.00 0.00 59.36 59.38 2dat h GLU 48 Cb -0.08 0.07 -0.39 0.00 -0.10 0.00 0.00 28.75 28.25 2dat h GLU 48 CO -0.05 -0.08 -0.85 -1.17 -1.16 0.00 0.00 179.01 175.70 2dat s LEU 49 N -9.81 2.26 0.18 1.33 2.96 0.39 -4.96 118.68 111.02 2dat s LEU 49 Ca -0.15 -3.10 -0.07 0.00 -0.22 0.00 0.00 54.13 50.59 2dat s LEU 49 Cb 0.04 -0.76 0.06 0.00 0.50 0.00 0.00 46.19 46.03 2dat s LEU 49 CO 0.62 -0.18 1.52 1.55 -1.32 0.00 0.00 176.35 178.54 2dat h PRO 50 N 5.85 0.78 -0.74 0.98 0.13 -0.83 -3.18 132.00 134.99 2dat h PRO 50 Ca 0.19 -0.41 0.12 0.00 -0.87 0.00 0.00 66.00 65.03 2dat h PRO 50 Cb 0.88 0.01 -0.09 0.00 0.13 0.00 0.00 31.00 31.94 2dat h PRO 50 CO 0.45 1.04 0.32 1.05 -0.23 0.00 0.00 178.00 180.62 2dat h GLU 51 N 0.64 0.48 -0.99 0.86 4.11 -1.93 -0.75 114.58 117.00 2dat h GLU 51 Ca 0.05 -0.03 0.33 0.00 0.07 0.00 0.00 59.36 59.78 2dat h GLU 51 Cb 0.96 -0.11 -0.16 0.00 0.50 0.00 0.00 28.75 29.95 2dat h GLU 51 CO 0.09 0.32 0.51 -0.92 0.07 0.00 0.00 179.01 179.08 2dat h TYR 52 N 0.50 0.81 0.00 2.06 5.03 -1.94 1.58 116.97 125.01 2dat h TYR 52 Ca 0.39 0.04 -0.05 0.00 2.58 0.00 0.00 58.73 61.69 2dat h TYR 52 Cb 0.54 -0.19 -0.01 0.00 1.55 0.00 0.00 36.73 38.61 2dat h TYR 52 CO -0.14 -0.24 -0.29 1.88 -1.32 0.00 0.00 178.16 178.04 2dat h TYR 53 N 0.24 0.00 0.45 -3.82 -1.99 -1.31 -2.71 116.97 107.83 2dat h TYR 53 Ca 0.73 0.00 -0.02 0.00 2.00 0.00 0.00 58.73 61.44 2dat h TYR 53 Cb 1.70 0.00 0.00 0.00 2.00 0.00 0.00 36.73 40.43 2dat h TYR 53 CO -0.06 0.25 -0.22 0.93 -0.00 0.00 0.00 178.16 179.07 2dat h GLU 54 N 0.00 -0.59 -0.14 4.88 5.08 0.26 -3.34 114.58 120.74 2dat h GLU 54 Ca -0.01 0.04 -0.01 0.00 -1.00 0.00 0.00 59.36 58.38 2dat h GLU 54 Cb 1.20 0.13 -0.01 0.00 0.50 0.00 0.00 28.75 30.57 2dat h GLU 54 CO 0.03 -0.39 0.04 1.37 -1.00 0.00 0.00 179.01 179.07 2dat h LEU 55 N -0.91 0.19 -9.71 1.33 -0.00 -1.43 -3.43 115.31 101.36 2dat h LEU 55 Ca -0.06 -0.19 -0.53 0.00 -0.00 0.00 0.00 57.88 57.10 2dat h LEU 55 Cb 0.47 -0.05 0.05 0.00 -0.00 0.00 0.00 40.66 41.13 2dat h LEU 55 CO 0.10 0.34 0.78 -0.63 -0.00 0.00 0.00 178.44 179.02 2dat s ILE 56 N -5.43 2.69 -0.06 0.15 -1.09 -1.02 -4.96 121.20 111.47 2dat s ILE 56 Ca -0.14 0.56 -0.04 0.00 -2.23 0.00 0.00 60.65 58.80 2dat s ILE 56 Cb 0.06 -3.36 -0.02 0.00 -1.58 0.00 0.00 42.46 37.57 2dat s ILE 56 CO 0.70 0.08 0.19 0.03 -1.23 0.00 0.00 174.94 174.70 2dat h ARG 57 N 5.39 -0.13 -2.99 2.79 3.08 -1.83 -3.44 114.38 117.25 2dat h ARG 57 Ca -0.45 0.01 -0.61 0.00 0.07 0.00 0.00 59.98 58.99 2dat h ARG 57 Cb 1.21 0.03 -0.40 0.00 0.08 0.00 0.00 29.97 30.89 2dat h ARG 57 CO 0.80 -0.09 -0.72 0.15 -1.07 0.00 0.00 179.97 179.05 2dat s LYS 58 N -1.90 1.55 -0.77 0.04 1.02 -1.26 -5.07 119.74 113.35 2dat s LYS 58 Ca -0.02 -2.34 -0.25 0.00 0.02 0.00 0.00 55.97 53.38 2dat s LYS 58 Cb 0.00 -2.56 -0.04 0.00 -0.52 0.00 0.00 37.83 34.71 2dat s LYS 58 CO 0.06 -1.20 1.91 -1.25 -0.92 0.00 0.00 175.35 173.95 2dat s PRO 59 N -0.08 2.58 0.23 -1.68 0.04 -1.26 -4.87 135.00 129.96 2dat s PRO 59 Ca 0.20 0.13 0.06 0.00 0.04 0.00 0.00 61.00 61.43 2dat s PRO 59 Cb -0.18 -4.75 -0.03 0.00 0.04 0.00 0.00 34.50 29.57 2dat s PRO 59 CO -0.05 -3.09 0.25 0.54 0.04 0.00 0.00 177.00 174.69 2dat s VAL 60 N 9.64 4.78 0.04 -0.36 0.11 -1.26 -5.07 120.40 128.28 2dat s VAL 60 Ca 0.69 -1.18 -0.04 0.00 -2.93 0.00 0.00 61.98 58.52 2dat s VAL 60 Cb -0.09 -3.56 -0.02 0.00 -1.53 0.00 0.00 36.38 31.17 2dat s VAL 60 CO 0.09 -0.30 0.05 -1.81 -3.33 0.00 0.00 175.10 169.80 2dat s ASP 61 N -3.76 0.27 0.23 3.54 1.11 -1.26 -4.61 116.67 112.19 2dat s ASP 61 Ca 0.33 -0.67 -0.14 0.00 0.18 0.00 0.00 52.55 52.25 2dat s ASP 61 Cb -0.09 0.21 0.28 0.00 1.07 0.00 0.00 42.92 44.40 2dat s ASP 61 CO 0.26 -0.52 1.58 -0.26 1.18 0.00 0.00 175.17 177.41 2dat h PHE 62 N 3.58 -0.66 -0.89 4.23 0.04 -1.57 0.41 116.94 122.08 2dat h PHE 62 Ca -0.33 0.08 0.24 0.00 2.80 0.00 0.00 57.97 60.76 2dat h PHE 62 Cb 1.18 0.41 -0.14 0.00 2.20 0.00 0.00 35.95 39.60 2dat h PHE 62 CO 0.55 -0.37 0.27 0.87 -0.60 0.00 0.00 178.31 179.02 2dat h LYS 63 N -0.04 0.21 0.04 1.51 1.57 -1.80 -0.00 116.57 118.06 2dat h LYS 63 Ca 0.35 -0.01 -0.00 0.00 -1.87 0.00 0.00 60.65 59.12 2dat h LYS 63 Cb 0.59 -0.05 0.00 0.00 0.08 0.00 0.00 32.23 32.86 2dat h LYS 63 CO -0.84 0.14 -0.02 -0.22 -0.57 0.00 0.00 179.45 177.94 2dat h LYS 64 N 0.22 -0.05 -0.81 3.15 1.63 -0.58 -1.41 116.57 118.72 2dat h LYS 64 Ca 0.57 0.00 0.20 0.00 -0.85 0.00 0.00 60.65 60.57 2dat h LYS 64 Cb 1.17 0.01 -0.13 0.00 -0.60 0.00 0.00 32.23 32.68 2dat h LYS 64 CO -0.65 0.50 0.13 0.82 -3.45 0.00 0.00 179.45 176.80 2dat h ILE 65 N -0.65 0.35 0.03 2.00 2.04 0.39 -1.42 117.51 120.24 2dat h ILE 65 Ca -0.01 -0.06 -0.00 0.00 1.00 0.00 0.00 64.86 65.79 2dat h ILE 65 Cb 0.58 0.16 0.00 0.00 -0.74 0.00 0.00 36.82 36.82 2dat h ILE 65 CO 0.01 0.03 -0.01 0.11 0.00 0.00 0.00 178.15 178.29 2dat h LYS 66 N 0.17 -0.03 -1.27 2.37 1.57 -1.11 -3.19 116.57 115.07 2dat h LYS 66 Ca 0.48 0.00 0.42 0.00 -1.87 0.00 0.00 60.65 59.69 2dat h LYS 66 Cb 0.90 0.01 -0.11 0.00 0.08 0.00 0.00 32.23 33.11 2dat h LYS 66 CO -0.64 0.55 0.84 -1.91 -0.57 0.00 0.00 179.45 177.72 2dat n GLU 67 N -4.82 -0.03 0.09 3.15 2.13 -0.53 0.59 120.64 121.22 2dat n GLU 67 Ca -0.09 1.04 -0.10 0.00 0.66 0.00 0.00 57.16 58.68 2dat n GLU 67 Cb 0.30 -2.12 -0.06 0.00 0.27 0.00 0.00 31.44 29.83 2dat n GLU 67 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 2dat h ARG 68 N 0.00 -0.29 -0.98 5.31 3.08 -1.46 -2.03 114.38 118.01 2dat h ARG 68 Ca 0.76 0.02 0.33 0.00 0.07 0.00 0.00 59.98 61.16 2dat h ARG 68 Cb 2.57 0.07 -0.16 0.00 0.08 0.00 0.00 29.97 32.53 2dat h ARG 68 CO -0.33 0.06 0.44 0.82 -1.07 0.00 0.00 179.97 179.89 2dat h ILE 69 N -0.94 0.18 0.00 2.04 2.04 0.12 1.33 117.51 122.28 2dat h ILE 69 Ca -0.03 -0.06 -0.18 0.00 1.00 0.00 0.00 64.86 65.59 2dat h ILE 69 Cb 0.48 -0.01 -0.03 0.00 -0.74 0.00 0.00 36.82 36.53 2dat h ILE 69 CO 0.05 0.03 -0.86 0.08 0.00 0.00 0.00 178.15 177.45 2dat h ARG 70 N 0.17 0.00 -0.35 2.37 0.11 -1.46 -3.08 114.38 112.13 2dat h ARG 70 Ca 0.72 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.80 2dat h ARG 70 Cb 1.69 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.77 2dat h ARG 70 CO -0.70 0.86 0.00 0.09 0.10 0.00 0.00 179.97 180.32 2dat n ASN 71 N -3.50 2.10 -3.08 0.08 3.02 0.40 -4.91 115.26 109.37 2dat n ASN 71 Ca -0.00 -1.94 -0.19 0.00 -0.03 0.00 0.00 54.58 52.41 2dat n ASN 71 Cb 0.83 -0.23 -0.00 0.00 -0.61 0.00 0.00 39.78 39.76 2dat n ASN 71 CO 0.00 0.00 0.00 1.41 -2.62 0.00 0.00 177.26 176.05 2dat n HIS 72 N 0.63 -1.70 -0.00 3.10 8.25 0.20 -4.84 115.22 120.85 2dat n HIS 72 Ca 0.14 0.33 -0.17 0.00 -0.26 0.00 0.00 57.72 57.76 2dat n HIS 72 Cb 0.35 -2.85 -0.11 0.00 1.12 0.00 0.00 29.99 28.50 2dat n HIS 72 CO 0.00 0.00 0.00 0.87 0.64 0.00 0.00 176.34 177.85 2dat h LYS 73 N -0.69 0.38 -6.68 -0.41 1.79 -1.70 -3.46 116.57 105.81 2dat h LYS 73 Ca -0.38 -0.40 -0.58 0.00 -2.18 0.00 0.00 60.65 57.12 2dat h LYS 73 Cb 1.26 0.11 0.15 0.00 -1.58 0.00 0.00 32.23 32.17 2dat h LYS 73 CO 0.46 1.07 -0.01 0.66 -1.08 0.00 0.00 179.45 180.56 2dat n TYR 74 N -4.26 0.53 -0.06 -1.35 4.01 -1.26 -4.94 117.16 109.83 2dat n TYR 74 Ca -0.10 0.48 -0.14 0.00 -0.16 0.00 0.00 57.90 57.98 2dat n TYR 74 Cb 0.64 -2.12 -0.14 0.00 -0.31 0.00 0.00 39.34 37.41 2dat n TYR 74 CO 0.00 0.00 0.00 -2.13 -0.46 0.00 0.00 176.86 174.27 2dat n ARG 75 N -0.35 0.68 -3.83 -0.72 0.63 -1.26 -5.02 116.66 106.79 2dat n ARG 75 Ca 0.12 0.18 -0.03 0.00 -0.92 0.00 0.00 57.85 57.20 2dat n ARG 75 Cb 0.44 -1.64 0.01 0.00 0.45 0.00 0.00 32.46 31.72 2dat n ARG 75 CO 0.00 0.00 0.00 0.45 -2.51 0.00 0.00 177.63 175.57 2dat s SER 76 N -6.28 -0.05 0.11 6.15 0.15 -1.26 -5.04 113.70 107.48 2dat s SER 76 Ca -0.17 -0.56 -0.32 0.00 0.70 0.00 0.00 55.95 55.59 2dat s SER 76 Cb 0.07 0.47 -0.12 0.00 -1.71 0.00 0.00 66.02 64.74 2dat s SER 76 CO 0.76 -0.92 1.58 0.25 1.20 0.00 0.00 173.24 176.11 2dat h LEU 77 N 2.00 -1.32 -0.96 3.45 5.85 -1.97 -1.90 115.31 120.47 2dat h LEU 77 Ca -0.27 0.14 0.34 0.00 0.84 0.00 0.00 57.88 58.93 2dat h LEU 77 Cb 1.22 0.49 -0.17 0.00 0.37 0.00 0.00 40.66 42.56 2dat h LEU 77 CO 0.33 -0.52 0.30 0.61 -0.34 0.00 0.00 178.44 178.82 2dat n GLY 78 N -1.48 -0.97 0.50 3.75 0.00 -1.26 -0.45 105.19 105.28 2dat n GLY 78 Ca -0.08 0.84 -0.18 0.00 0.00 0.00 0.00 46.02 46.60 2dat n GLY 78 CO 0.00 0.00 0.00 -1.80 0.00 0.00 0.00 173.32 171.52 2dat h ASP 79 N 0.00 -1.36 -0.73 1.61 1.82 -1.75 -2.80 116.42 113.20 2dat h ASP 79 Ca 0.71 0.11 0.11 0.00 -0.39 0.00 0.00 57.03 57.57 2dat h ASP 79 Cb 1.74 0.44 -0.12 0.00 0.68 0.00 0.00 39.33 42.08 2dat h ASP 79 CO -0.81 -0.68 -0.29 -0.11 -1.61 0.00 0.00 179.24 175.75 2dat n LEU 80 N -5.57 -0.49 -0.10 2.28 7.94 0.40 0.78 117.00 122.24 2dat n LEU 80 Ca -0.12 1.28 -0.08 0.00 -1.11 0.00 0.00 56.01 55.98 2dat n LEU 80 Cb 0.47 -0.29 -0.01 0.00 0.53 0.00 0.00 43.42 44.11 2dat n LEU 80 CO 0.28 -1.15 0.65 -0.08 -1.11 0.00 0.00 177.39 175.98 2dat h GLU 81 N 0.00 -0.25 -0.83 1.96 4.81 -1.46 0.20 114.58 119.01 2dat h GLU 81 Ca 0.25 0.02 0.34 0.00 -0.13 0.00 0.00 59.36 59.84 2dat h GLU 81 Cb 0.43 0.06 -0.14 0.00 0.63 0.00 0.00 28.75 29.73 2dat h GLU 81 CO -0.73 -0.16 0.46 1.63 -0.73 0.00 0.00 179.01 179.48 2dat n LYS 82 N -5.41 -0.05 -0.06 1.92 5.02 0.23 -0.59 118.16 119.23 2dat n LYS 82 Ca 0.01 1.08 -0.04 0.00 -2.02 0.00 0.00 58.31 57.34 2dat n LYS 82 Cb 0.33 -1.97 -0.02 0.00 -0.02 0.00 0.00 35.03 33.35 2dat n LYS 82 CO 0.00 0.00 0.00 -0.44 -0.52 0.00 0.00 177.40 176.44 2dat h ASP 83 N 0.00 0.00 -1.00 4.39 5.19 -0.97 -3.25 116.42 120.78 2dat h ASP 83 Ca 0.68 -0.10 0.15 0.00 -0.62 0.00 0.00 57.03 57.14 2dat h ASP 83 Cb 1.85 0.00 -0.16 0.00 0.18 0.00 0.00 39.33 41.20 2dat h ASP 83 CO -0.58 0.68 -0.40 0.52 -3.12 0.00 0.00 179.24 176.33 2dat n VAL 84 N -4.69 -0.54 -0.30 -1.35 0.31 0.08 0.12 118.33 111.96 2dat n VAL 84 Ca -0.05 2.34 0.06 0.00 -0.01 0.00 0.00 64.34 66.68 2dat n VAL 84 Cb 0.16 -3.08 0.27 0.00 -0.91 0.00 0.00 33.84 30.28 2dat n VAL 84 CO 0.00 0.00 0.00 0.24 -1.32 0.00 0.00 176.83 175.75 2dat h MET 85 N 0.00 0.92 0.78 5.55 2.86 -1.03 -2.73 114.93 121.28 2dat h MET 85 Ca 0.33 -0.06 -0.04 0.00 -2.06 0.00 0.00 59.70 57.88 2dat h MET 85 Cb 0.58 -0.21 0.01 0.00 0.06 0.00 0.00 31.60 32.04 2dat h MET 85 CO -0.99 0.61 -0.37 1.25 1.06 0.00 0.00 176.91 178.47 2dat h LEU 86 N 0.95 -0.89 -1.33 1.22 7.12 0.91 0.40 115.31 123.70 2dat h LEU 86 Ca 0.41 0.03 0.11 0.00 0.13 0.00 0.00 57.88 58.56 2dat h LEU 86 Cb 0.34 0.23 -0.01 0.00 -0.53 0.00 0.00 40.66 40.69 2dat h LEU 86 CO -0.17 -0.63 0.73 0.25 -0.13 0.00 0.00 178.44 178.48 2dat h LEU 87 N -1.06 0.00 0.01 2.25 6.46 -1.04 1.03 115.31 122.96 2dat h LEU 87 Ca -0.11 0.00 -0.32 0.00 -0.12 0.00 0.00 57.88 57.33 2dat h LEU 87 Cb 0.80 0.00 -0.05 0.00 -0.73 0.00 0.00 40.66 40.68 2dat h LEU 87 CO 0.18 0.00 -1.94 0.00 -0.62 0.00 0.00 178.44 176.06 2dat h HIS 89 N 0.00 -0.40 -0.47 0.00 -0.00 0.55 -3.03 115.15 111.81 2dat h HIS 89 Ca -0.38 -0.01 0.14 0.00 -0.00 0.00 0.00 60.37 60.12 2dat h HIS 89 Cb 2.08 0.13 -0.02 0.00 -0.00 0.00 0.00 27.41 29.61 2dat h HIS 89 CO 0.00 -0.06 0.49 -2.95 -0.00 0.00 0.00 177.93 175.42 2dat h ASN 90 N -0.87 0.00 0.06 3.26 7.08 -1.42 -0.95 115.58 122.74 2dat h ASN 90 Ca -0.04 0.00 0.01 0.00 -3.08 0.00 0.00 56.30 53.18 2dat h ASN 90 Cb 0.52 0.00 -0.01 0.00 -2.08 0.00 0.00 38.32 36.75 2dat h ASN 90 CO 0.07 0.00 -0.08 0.00 -2.08 0.00 0.00 177.43 175.34 2dat h ALA 91 N 1.45 -0.14 0.00 4.14 0.00 -1.67 -0.74 119.26 122.30 2dat h ALA 91 Ca 0.22 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.12 2dat h ALA 91 Cb 1.20 0.13 0.00 0.00 0.00 0.00 0.00 17.79 19.12 2dat h ALA 91 CO -0.00 -0.60 0.00 1.04 0.00 0.00 0.00 179.25 179.69 2dat n GLN 92 N -5.20 0.15 -0.06 0.00 1.13 -0.40 -2.10 117.38 110.90 2dat n GLN 92 Ca -0.07 0.05 -0.02 0.00 -1.94 0.00 0.00 57.00 55.02 2dat n GLN 92 Cb 0.13 -1.50 -0.01 0.00 0.11 0.00 0.00 30.24 28.96 2dat n GLN 92 CO 0.00 0.00 0.00 1.15 -1.44 0.00 0.00 177.06 176.77 2dat h THR 93 N 0.00 0.13 -0.02 5.09 2.02 -0.88 -3.40 112.91 115.85 2dat h THR 93 Ca 0.00 -1.11 -0.01 0.00 0.77 0.00 0.00 66.41 66.06 2dat h THR 93 Cb 0.36 0.25 -0.00 0.00 -1.74 0.00 0.00 68.15 67.02 2dat h THR 93 CO 0.00 0.04 -0.03 0.15 0.37 0.00 0.00 175.52 176.05 2dat h PHE 94 N -1.00 0.07 -4.47 3.16 3.57 -1.27 -3.45 116.94 113.55 2dat h PHE 94 Ca -0.01 -0.02 -0.49 0.00 3.53 0.00 0.00 57.97 60.98 2dat h PHE 94 Cb 0.21 -0.01 0.08 0.00 2.79 0.00 0.00 35.95 39.02 2dat h PHE 94 CO -0.03 0.59 0.41 -0.80 -2.23 0.00 0.00 178.31 176.24 2dat s ASN 95 N -5.83 5.34 0.49 0.41 0.01 -0.89 -5.08 114.94 109.38 2dat s ASN 95 Ca -0.16 1.13 0.05 0.00 -0.71 0.00 0.00 52.86 53.18 2dat s ASN 95 Cb 0.02 -1.91 0.03 0.00 0.41 0.00 0.00 41.25 39.79 2dat s ASN 95 CO 0.69 -1.41 0.67 -1.48 -1.51 0.00 0.00 177.10 174.06 2dat s LEU 96 N -5.40 3.46 1.16 0.60 2.34 -1.26 -4.63 118.68 114.94 2dat s LEU 96 Ca 0.59 -0.31 -0.13 0.00 0.06 0.00 0.00 54.13 54.34 2dat s LEU 96 Cb -0.11 -2.62 0.28 0.00 -0.56 0.00 0.00 46.19 43.18 2dat s LEU 96 CO 0.52 -0.98 1.03 -1.61 -1.06 0.00 0.00 176.35 174.25 2dat s GLU 97 N -4.55 -0.89 0.00 1.48 2.02 -1.26 -2.71 118.70 112.79 2dat s GLU 97 Ca 0.57 0.88 0.00 0.00 0.02 0.00 0.00 54.97 56.43 2dat s GLU 97 Cb -0.10 -1.55 0.00 0.00 0.10 0.00 0.00 34.13 32.58 2dat s GLU 97 CO 0.36 -3.72 0.00 0.41 0.02 0.00 0.00 175.26 172.33 2dat n GLY 98 N 0.80 -0.30 3.86 -1.39 0.00 -1.26 -4.84 105.19 102.05 2dat n GLY 98 Ca 0.03 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.69 2dat n GLY 98 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2dat s SER 99 N -1.47 6.68 0.14 1.61 0.15 -1.10 -4.90 113.70 114.81 2dat s SER 99 Ca 0.00 0.83 -0.20 0.00 0.70 0.00 0.00 55.95 57.28 2dat s SER 99 Cb 0.00 -2.19 0.03 0.00 -1.71 0.00 0.00 66.02 62.14 2dat s SER 99 CO 0.00 0.24 1.18 1.67 1.20 0.00 0.00 173.24 177.53 2dat n GLN 100 N 1.29 -0.28 -0.10 5.44 -0.06 -1.26 0.47 117.38 122.88 2dat n GLN 100 Ca -0.11 1.16 -0.10 0.00 -2.00 0.00 0.00 57.00 55.94 2dat n GLN 100 Cb 0.52 -1.71 -0.03 0.00 -4.06 0.00 0.00 30.24 24.97 2dat n GLN 100 CO 0.00 0.00 0.00 0.82 -0.20 0.00 0.00 177.06 177.68 2dat h ILE 101 N 0.00 1.23 -0.36 1.69 2.04 -1.94 -2.42 117.51 117.76 2dat h ILE 101 Ca 0.17 -0.81 0.06 0.00 1.00 0.00 0.00 64.86 65.28 2dat h ILE 101 Cb 0.36 1.18 -0.08 0.00 -0.74 0.00 0.00 36.82 37.53 2dat h ILE 101 CO -0.73 0.27 -0.47 0.22 0.00 0.00 0.00 178.15 177.44 2dat h TYR 102 N 0.33 -1.39 -0.69 1.37 5.03 -0.20 0.71 116.97 122.13 2dat h TYR 102 Ca 0.09 0.07 0.01 0.00 2.58 0.00 0.00 58.73 61.48 2dat h TYR 102 Cb 0.35 0.66 -0.04 0.00 1.55 0.00 0.00 36.73 39.25 2dat h TYR 102 CO 0.02 -0.47 0.46 0.93 -1.32 0.00 0.00 178.16 177.78 2dat h GLU 103 N -0.38 0.89 -0.49 1.82 5.08 -0.88 -1.53 114.58 119.09 2dat h GLU 103 Ca 0.11 -0.05 0.04 0.00 -1.00 0.00 0.00 59.36 58.45 2dat h GLU 103 Cb 0.60 -0.20 -0.03 0.00 0.50 0.00 0.00 28.75 29.62 2dat h GLU 103 CO -0.55 0.59 0.33 -0.44 -1.00 0.00 0.00 179.01 177.93 2dat h ASP 104 N 0.92 0.46 0.16 1.42 3.32 -0.40 -2.73 116.42 119.58 2dat h ASP 104 Ca 0.26 -0.00 -0.01 0.00 0.02 0.00 0.00 57.03 57.30 2dat h ASP 104 Cb -0.08 -0.11 0.00 0.00 0.22 0.00 0.00 39.33 39.37 2dat h ASP 104 CO -0.06 0.31 -0.08 0.77 -1.72 0.00 0.00 179.24 178.47 2dat h SER 105 N 0.53 -0.18 -0.91 6.45 4.64 -0.10 -3.06 113.55 120.92 2dat h SER 105 Ca 0.20 -0.29 0.21 0.00 -0.47 0.00 0.00 61.79 61.44 2dat h SER 105 Cb 0.14 0.05 -0.17 0.00 -0.31 0.00 0.00 62.40 62.10 2dat h SER 105 CO -0.05 0.22 -0.13 -0.38 -0.87 0.00 0.00 176.83 175.62 2dat n ILE 106 N -5.01 -0.38 0.44 0.95 2.08 -1.03 -0.55 119.36 115.86 2dat n ILE 106 Ca -0.09 2.05 -0.19 0.00 0.56 0.00 0.00 62.75 65.09 2dat n ILE 106 Cb 0.24 -2.90 -0.09 0.00 -0.75 0.00 0.00 39.64 36.14 2dat n ILE 106 CO 0.00 0.00 0.00 0.58 0.56 0.00 0.00 176.55 177.69 2dat h VAL 107 N 0.00 0.14 -0.82 1.39 2.07 -1.55 -2.55 116.25 114.94 2dat h VAL 107 Ca 0.48 -0.07 0.12 0.00 0.82 0.00 0.00 66.70 68.05 2dat h VAL 107 Cb 0.85 0.15 -0.13 0.00 -1.52 0.00 0.00 31.29 30.65 2dat h VAL 107 CO -0.91 0.01 -0.34 0.18 0.02 0.00 0.00 177.57 176.53 2dat n LEU 108 N -5.55 -0.58 0.25 2.57 4.77 0.29 -0.18 117.00 118.58 2dat n LEU 108 Ca -0.15 1.43 -0.16 0.00 -0.03 0.00 0.00 56.01 57.10 2dat n LEU 108 Cb 0.45 -0.31 -0.08 0.00 -2.33 0.00 0.00 43.42 41.15 2dat n LEU 108 CO 0.38 -1.27 0.63 1.56 -1.33 0.00 0.00 177.39 177.35 2dat h GLN 109 N 0.00 -0.75 -1.04 3.23 4.20 -1.37 0.07 115.11 119.45 2dat h GLN 109 Ca 0.26 0.05 0.27 0.00 0.06 0.00 0.00 58.65 59.29 2dat h GLN 109 Cb 0.47 0.17 -0.09 0.00 0.30 0.00 0.00 27.48 28.33 2dat h GLN 109 CO -0.81 -0.50 0.68 1.03 -0.67 0.00 0.00 178.83 178.56 2dat h SER 110 N -0.78 0.41 1.36 1.46 0.87 -0.13 0.84 113.55 117.58 2dat h SER 110 Ca -0.04 0.07 -0.09 0.00 -1.23 0.00 0.00 61.79 60.51 2dat h SER 110 Cb 0.68 0.01 -0.01 0.00 -0.44 0.00 0.00 62.40 62.64 2dat h SER 110 CO -0.03 0.08 -0.41 0.58 -0.53 0.00 0.00 176.83 176.53 2dat h VAL 111 N 0.36 0.76 0.01 2.23 2.07 -0.04 -3.03 116.25 118.61 2dat h VAL 111 Ca 0.58 -1.88 -0.00 0.00 0.82 0.00 0.00 66.70 66.22 2dat h VAL 111 Cb 1.54 2.23 0.00 0.00 -1.52 0.00 0.00 31.29 33.55 2dat h VAL 111 CO -0.27 0.40 -0.00 0.15 0.02 0.00 0.00 177.57 177.87 2dat h PHE 112 N 0.00 -0.01 0.45 1.57 3.57 0.26 -2.12 116.94 120.66 2dat h PHE 112 Ca -0.00 -0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.48 2dat h PHE 112 Cb 1.20 0.00 -0.02 0.00 2.79 0.00 0.00 35.95 39.93 2dat h PHE 112 CO 0.00 0.78 -0.37 0.87 -2.23 0.00 0.00 178.31 177.36 2dat h LYS 113 N -0.82 -0.78 -0.78 1.11 1.57 -1.15 -2.52 116.57 113.20 2dat h LYS 113 Ca -0.00 0.05 0.02 0.00 -1.87 0.00 0.00 60.65 58.86 2dat h LYS 113 Cb 0.79 0.18 -0.04 0.00 0.08 0.00 0.00 32.23 33.24 2dat h LYS 113 CO 0.00 -0.52 0.51 1.03 -0.57 0.00 0.00 179.45 179.90 2dat h SER 114 N -0.81 0.85 -0.60 0.86 0.87 -1.68 -1.27 113.55 111.77 2dat h SER 114 Ca -0.04 -0.02 0.17 0.00 -1.23 0.00 0.00 61.79 60.68 2dat h SER 114 Cb 0.70 -0.20 -0.02 0.00 -0.44 0.00 0.00 62.40 62.43 2dat h SER 114 CO -0.01 0.60 0.46 0.00 -0.53 0.00 0.00 176.83 177.35 2dat h ALA 115 N 1.53 2.52 0.00 6.23 0.00 -0.95 1.86 119.26 130.45 2dat h ALA 115 Ca 0.30 -0.02 -0.08 0.00 0.00 0.00 0.00 54.91 55.11 2dat h ALA 115 Cb -0.03 0.05 -0.01 0.00 0.00 0.00 0.00 17.79 17.80 2dat h ALA 115 CO -0.08 -0.77 -0.69 0.00 0.00 0.00 0.00 179.25 177.71 2dat h ARG 116 N 0.00 0.00 -0.56 0.00 3.08 -0.98 -3.36 114.38 112.56 2dat h ARG 116 Ca 0.29 0.00 -0.36 0.00 0.07 0.00 0.00 59.98 59.97 2dat h ARG 116 Cb 1.20 0.00 -0.41 0.00 0.08 0.00 0.00 29.97 30.84 2dat h ARG 116 CO -0.00 0.25 -1.00 0.00 -1.07 0.00 0.00 179.97 178.15 2dat n GLN 117 N -3.02 2.47 -2.58 0.04 -0.00 0.13 -5.01 117.38 109.40 2dat n GLN 117 Ca -0.01 -3.77 -0.42 0.00 -0.00 0.00 0.00 57.00 52.81 2dat n GLN 117 Cb 0.68 -1.87 -0.02 0.00 -0.00 0.00 0.00 30.24 29.03 2dat n GLN 117 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.06 177.51 2dat s SER 118 N -3.72 6.62 0.00 2.61 0.15 0.59 -4.87 113.70 115.07 2dat s SER 118 Ca 0.36 -1.80 0.00 0.00 0.70 0.00 0.00 55.95 55.21 2dat s SER 118 Cb 0.36 -2.57 0.00 0.00 -1.71 0.00 0.00 66.02 62.10 2dat s SER 118 CO -0.01 -1.38 0.00 0.61 1.20 0.00 0.00 173.24 173.66 2dat n GLY 119 N 6.35 4.49 3.61 9.45 0.00 -1.26 -5.05 105.19 122.77 2dat n GLY 119 Ca 0.38 -1.14 -0.30 0.00 0.00 0.00 0.00 46.02 44.96 2dat n GLY 119 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2dat s PRO 120 N 1.19 -0.95 1.36 1.61 0.04 -1.26 -5.02 135.00 131.95 2dat s PRO 120 Ca 0.00 0.03 -0.21 0.00 0.04 0.00 0.00 61.00 60.86 2dat s PRO 120 Cb 0.00 -1.62 0.33 0.00 0.04 0.00 0.00 34.50 33.25 2dat s PRO 120 CO 0.00 -3.55 0.76 -1.13 0.04 0.00 0.00 177.00 173.12 2dat n SER 121 N -4.67 -3.79 -4.69 6.66 3.41 -1.26 -4.77 113.62 104.51 2dat n SER 121 Ca 0.12 -0.72 -0.52 0.00 -0.26 0.00 0.00 58.87 57.48 2dat n SER 121 Cb 0.59 -0.96 -0.06 0.00 -0.26 0.00 0.00 64.21 63.52 2dat n SER 121 CO 0.00 0.00 0.00 -0.24 -0.16 0.00 0.00 175.04 174.64 2dat n SER 122 N -4.71 2.96 0.00 4.04 2.88 -1.26 -5.25 113.62 112.29 2dat n SER 122 Ca 0.11 1.00 0.00 0.00 -1.33 0.00 0.00 58.87 58.65 2dat n SER 122 Cb 0.54 -1.27 0.00 0.00 -0.75 0.00 0.00 64.21 62.73 2dat n SER 122 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42