#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1gif s PRO 2 N 0.00 2.12 -0.07 3.17 0.02 -1.24 -4.45 135.00 134.55 1gif s PRO 2 Ca 0.00 -1.22 0.04 0.00 0.02 0.00 0.00 61.00 59.85 1gif s PRO 2 Cb 0.00 -2.20 -0.00 0.00 0.02 0.00 0.00 34.50 32.31 1gif s PRO 2 CO 0.00 0.45 -0.21 -1.64 -0.33 0.00 0.00 177.00 175.27 1gif s MET 3 N -2.78 2.42 -0.13 5.54 -1.94 0.07 -1.03 119.30 121.45 1gif s MET 3 Ca 0.25 -0.75 0.01 0.00 -1.71 0.00 0.00 55.69 53.49 1gif s MET 3 Cb -0.09 -1.95 0.02 0.00 2.01 0.00 0.00 34.83 34.82 1gif s MET 3 CO 0.15 0.22 -0.15 0.12 -0.01 0.00 0.00 175.02 175.35 1gif s PHE 4 N 0.21 2.13 -0.04 -0.03 5.36 -0.41 -0.27 117.98 124.92 1gif s PHE 4 Ca -0.11 -1.12 0.07 0.00 -0.96 0.00 0.00 56.93 54.80 1gif s PHE 4 Cb -0.15 -1.55 -0.01 0.00 -0.34 0.00 0.00 43.02 40.97 1gif s PHE 4 CO 0.05 -0.60 -0.25 0.42 -1.46 0.00 0.00 175.22 173.38 1gif s ILE 5 N 1.27 2.03 -0.17 3.12 1.09 -0.25 -0.29 121.20 128.01 1gif s ILE 5 Ca 0.00 -1.07 0.01 0.00 -1.10 0.00 0.00 60.65 58.49 1gif s ILE 5 Cb -0.14 -1.71 0.02 0.00 -1.06 0.00 0.00 42.46 39.58 1gif s ILE 5 CO -0.07 0.57 -0.19 -0.69 -0.10 0.00 0.00 174.94 174.46 1gif s VAL 6 N -0.33 1.93 -0.14 2.92 1.01 0.10 -1.08 120.40 124.80 1gif s VAL 6 Ca 0.02 -0.86 -0.03 0.00 0.00 0.00 0.00 61.98 61.11 1gif s VAL 6 Cb -0.12 -1.75 -0.03 0.00 0.00 0.00 0.00 36.38 34.49 1gif s VAL 6 CO 0.02 0.52 -0.06 0.20 0.00 0.00 0.00 175.10 175.78 1gif s ASN 7 N 1.27 4.63 0.04 3.32 0.01 0.27 -0.06 114.94 124.41 1gif s ASN 7 Ca 0.03 -0.16 -0.18 0.00 -0.71 0.00 0.00 52.86 51.84 1gif s ASN 7 Cb -0.13 -1.69 0.04 0.00 0.41 0.00 0.00 41.25 39.87 1gif s ASN 7 CO -0.11 0.19 0.42 0.28 -1.51 0.00 0.00 177.10 176.37 1gif s THR 8 N 0.24 0.05 -1.94 1.60 -1.32 0.47 -1.55 115.64 113.20 1gif s THR 8 Ca -0.04 -0.44 0.28 0.00 -1.21 0.00 0.00 61.69 60.28 1gif s THR 8 Cb -0.14 -0.94 0.49 0.00 -1.51 0.00 0.00 72.50 70.39 1gif s THR 8 CO 0.03 -0.24 1.80 -0.46 -2.21 0.00 0.00 174.62 173.55 1gif n ASN 9 N 0.53 0.82 -4.77 8.08 6.94 -1.21 -1.16 115.26 124.48 1gif n ASN 9 Ca -0.19 -0.94 -0.40 0.00 -0.02 0.00 0.00 54.58 53.03 1gif n ASN 9 Cb 0.60 0.00 -0.02 0.00 -2.36 0.00 0.00 39.78 38.00 1gif n ASN 9 CO 0.00 0.00 0.00 -0.69 -1.03 0.00 0.00 177.26 175.54 1gif s VAL 10 N -2.30 2.72 0.47 3.53 1.01 -1.26 -4.13 120.40 120.44 1gif s VAL 10 Ca 0.32 0.69 -0.22 0.00 0.00 0.00 0.00 61.98 62.77 1gif s VAL 10 Cb 0.20 -3.42 -0.07 0.00 0.00 0.00 0.00 36.38 33.09 1gif s VAL 10 CO 0.44 0.14 1.17 -2.84 0.00 0.00 0.00 175.10 174.00 1gif s PRO 11 N -1.99 3.70 0.26 2.72 0.02 -1.26 -0.61 135.00 137.84 1gif s PRO 11 Ca 0.52 1.77 -0.08 0.00 0.02 0.00 0.00 61.00 63.23 1gif s PRO 11 Cb -0.38 -2.36 0.44 0.00 0.02 0.00 0.00 34.50 32.22 1gif s PRO 11 CO 0.50 -0.60 1.59 -0.09 -0.33 0.00 0.00 177.00 178.07 1gif h ARG 12 N 1.94 0.01 0.00 5.54 1.12 -1.93 0.33 114.38 121.40 1gif h ARG 12 Ca -0.49 -0.00 0.00 0.00 -1.11 0.00 0.00 59.98 58.37 1gif h ARG 12 Cb 1.25 -0.00 0.00 0.00 -0.01 0.00 0.00 29.97 31.21 1gif h ARG 12 CO 0.60 0.01 0.10 0.00 -3.11 0.00 0.00 179.97 177.56 1gif h ALA 13 N 1.87 1.08 -0.33 2.80 0.00 -2.02 0.18 119.26 122.83 1gif h ALA 13 Ca 0.44 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.35 1gif h ALA 13 Cb 0.73 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.52 1gif h ALA 13 CO -0.87 -0.08 0.00 0.43 0.00 0.00 0.00 179.25 178.72 1gif n SER 14 N -2.66 3.02 -4.66 0.00 7.64 0.12 -4.75 113.62 112.33 1gif n SER 14 Ca -0.02 -1.93 -0.41 0.00 1.01 0.00 0.00 58.87 57.52 1gif n SER 14 Cb 0.14 -0.21 -0.05 0.00 -1.01 0.00 0.00 64.21 63.09 1gif n SER 14 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 1gif s VAL 15 N -1.58 4.92 0.48 0.44 1.01 0.62 -4.78 120.40 121.51 1gif s VAL 15 Ca 0.37 1.47 -0.22 0.00 0.00 0.00 0.00 61.98 63.60 1gif s VAL 15 Cb 0.21 -4.07 -0.07 0.00 0.00 0.00 0.00 36.38 32.45 1gif s VAL 15 CO 0.30 0.03 1.19 -2.16 0.00 0.00 0.00 175.10 174.47 1gif s PRO 16 N 2.21 3.63 0.08 2.72 0.04 -1.26 -4.97 135.00 137.45 1gif s PRO 16 Ca 0.34 1.83 -0.15 0.00 0.04 0.00 0.00 61.00 63.06 1gif s PRO 16 Cb -0.16 -2.35 -0.03 0.00 0.04 0.00 0.00 34.50 31.99 1gif s PRO 16 CO 0.11 -0.67 1.10 -0.25 0.04 0.00 0.00 177.00 177.33 1gif n ASP 17 N -0.63 -0.52 -1.70 6.66 9.92 -1.26 -1.87 116.55 127.14 1gif n ASP 17 Ca 0.08 1.22 -0.08 0.00 -0.53 0.00 0.00 54.79 55.48 1gif n ASP 17 Cb 0.48 -0.29 0.19 0.00 -0.64 0.00 0.00 41.12 40.86 1gif n ASP 17 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1gif n GLY 18 N -1.12 3.25 0.24 0.44 0.00 -1.26 -4.55 105.19 102.19 1gif n GLY 18 Ca 0.01 -0.72 0.00 0.00 0.00 0.00 0.00 46.02 45.32 1gif n GLY 18 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 1gif h PHE 19 N 1.59 -0.27 -0.81 1.61 3.57 -1.76 0.35 116.94 121.23 1gif h PHE 19 Ca 0.26 0.06 -0.04 0.00 3.53 0.00 0.00 57.97 61.78 1gif h PHE 19 Cb 2.00 0.22 -0.04 0.00 2.79 0.00 0.00 35.95 40.92 1gif h PHE 19 CO 0.98 -0.26 0.36 -0.07 -2.23 0.00 0.00 178.31 177.09 1gif h LEU 20 N 0.02 1.08 -0.28 0.59 4.07 -1.83 -0.73 115.31 118.23 1gif h LEU 20 Ca 0.32 -0.14 -0.01 0.00 0.08 0.00 0.00 57.88 58.12 1gif h LEU 20 Cb 0.50 -0.28 -0.01 0.00 1.08 0.00 0.00 40.66 41.95 1gif h LEU 20 CO -0.64 0.93 0.13 0.28 -1.08 0.00 0.00 178.44 178.06 1gif h SER 21 N 1.17 0.37 -0.14 -0.43 0.02 -1.37 -0.33 113.55 112.84 1gif h SER 21 Ca 0.28 -0.14 0.04 0.00 -0.84 0.00 0.00 61.79 61.12 1gif h SER 21 Cb 0.16 -0.10 -0.04 0.00 0.14 0.00 0.00 62.40 62.56 1gif h SER 21 CO -0.03 0.41 -0.11 -0.08 -1.14 0.00 0.00 176.83 175.88 1gif h GLU 22 N 0.31 -0.11 -0.73 3.45 4.81 0.12 0.13 114.58 122.56 1gif h GLU 22 Ca 0.10 0.01 0.10 0.00 -0.13 0.00 0.00 59.36 59.43 1gif h GLU 22 Cb 0.14 0.03 -0.07 0.00 0.63 0.00 0.00 28.75 29.48 1gif h GLU 22 CO -0.01 -0.08 0.36 -0.07 -0.73 0.00 0.00 179.01 178.49 1gif h LEU 23 N -0.12 0.47 -0.09 1.64 3.38 -0.88 0.26 115.31 119.96 1gif h LEU 23 Ca 0.09 0.06 -0.00 0.00 0.09 0.00 0.00 57.88 58.12 1gif h LEU 23 Cb 0.25 -0.02 -0.00 0.00 0.09 0.00 0.00 40.66 40.98 1gif h LEU 23 CO -0.22 0.26 0.06 0.74 0.09 0.00 0.00 178.44 179.37 1gif h THR 24 N 0.61 1.05 -0.13 0.22 2.02 -0.20 0.18 112.91 116.65 1gif h THR 24 Ca 0.36 -0.12 0.01 0.00 0.77 0.00 0.00 66.41 67.44 1gif h THR 24 Cb 0.39 0.96 -0.01 0.00 -1.74 0.00 0.00 68.15 67.75 1gif h THR 24 CO -0.28 0.04 0.05 1.56 0.37 0.00 0.00 175.52 177.26 1gif h GLN 25 N 0.10 0.11 -0.64 6.66 1.08 0.37 -1.24 115.11 121.55 1gif h GLN 25 Ca 0.03 -0.01 0.03 0.00 -1.45 0.00 0.00 58.65 57.25 1gif h GLN 25 Cb 0.02 -0.02 -0.04 0.00 -0.05 0.00 0.00 27.48 27.38 1gif h GLN 25 CO -0.01 0.07 0.39 1.96 -0.95 0.00 0.00 178.83 180.30 1gif h GLN 26 N 0.11 0.75 0.00 1.46 1.08 -0.79 -1.21 115.11 116.51 1gif h GLN 26 Ca 0.05 -0.05 -0.08 0.00 -1.45 0.00 0.00 58.65 57.12 1gif h GLN 26 Cb 0.02 -0.17 -0.01 0.00 -0.05 0.00 0.00 27.48 27.27 1gif h GLN 26 CO -0.05 0.50 -0.40 -0.07 -0.95 0.00 0.00 178.83 177.85 1gif h LEU 27 N 0.77 0.00 0.10 1.46 3.38 -0.45 -1.41 115.31 119.16 1gif h LEU 27 Ca 0.26 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.22 1gif h LEU 27 Cb 0.02 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.77 1gif h LEU 27 CO -0.10 0.40 -0.05 0.00 0.09 0.00 0.00 178.44 178.78 1gif h ALA 28 N 1.60 -0.14 -0.36 1.53 0.00 -0.31 -1.06 119.26 120.52 1gif h ALA 28 Ca -0.00 -0.07 -0.13 0.00 0.00 0.00 0.00 54.91 54.71 1gif h ALA 28 Cb 0.73 0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.57 1gif h ALA 28 CO 0.05 -0.54 -0.27 1.96 0.00 0.00 0.00 179.25 180.45 1gif h GLN 29 N -0.22 0.81 -0.82 0.00 4.20 -0.85 0.32 115.11 118.55 1gif h GLN 29 Ca -0.01 -0.40 0.04 0.00 0.06 0.00 0.00 58.65 58.33 1gif h GLN 29 Cb 0.18 0.00 -0.05 0.00 0.30 0.00 0.00 27.48 27.91 1gif h GLN 29 CO 0.02 1.03 0.54 0.00 -0.67 0.00 0.00 178.83 179.76 1gif h ALA 30 N 0.76 1.51 0.00 3.87 0.00 -1.17 -2.75 119.26 121.48 1gif h ALA 30 Ca 0.07 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.94 1gif h ALA 30 Cb 0.85 -0.28 0.00 0.00 0.00 0.00 0.00 17.79 18.35 1gif h ALA 30 CO 0.07 0.41 -1.62 0.25 0.00 0.00 0.00 179.25 178.36 1gif n THR 31 N -4.45 0.02 -2.36 0.00 -2.24 -0.41 -4.97 114.28 99.87 1gif n THR 31 Ca 0.11 -0.33 -0.12 0.00 -2.27 0.00 0.00 64.05 61.44 1gif n THR 31 Cb 0.12 0.32 0.00 0.00 -2.10 0.00 0.00 70.33 68.67 1gif n THR 31 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1gif n GLY 32 N 1.34 -0.06 3.63 3.38 0.00 0.11 -5.02 105.19 108.58 1gif n GLY 32 Ca -0.01 -0.37 -0.31 0.00 0.00 0.00 0.00 46.02 45.33 1gif n GLY 32 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1gif s LYS 33 N -4.76 2.55 0.14 1.61 1.02 -1.17 -5.05 119.74 114.09 1gif s LYS 33 Ca 0.05 -0.76 -0.31 0.00 0.02 0.00 0.00 55.97 54.97 1gif s LYS 33 Cb -0.02 -2.52 -0.08 0.00 -0.52 0.00 0.00 37.83 34.68 1gif s LYS 33 CO 0.06 0.58 1.37 -1.25 -0.92 0.00 0.00 175.35 175.19 1gif s PRO 34 N -1.77 4.34 0.41 -1.68 0.04 -1.26 -4.58 135.00 130.50 1gif s PRO 34 Ca 0.20 2.07 0.26 0.00 0.04 0.00 0.00 61.00 63.57 1gif s PRO 34 Cb -0.11 -3.23 1.37 0.00 0.04 0.00 0.00 34.50 32.57 1gif s PRO 34 CO 0.12 -0.39 1.61 -1.35 0.04 0.00 0.00 177.00 177.03 1gif h PRO 35 N 6.38 0.08 0.00 0.56 0.11 -1.92 -0.60 132.00 136.61 1gif h PRO 35 Ca -0.43 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.68 1gif h PRO 35 Cb 1.21 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 32.30 1gif h PRO 35 CO 0.84 0.05 0.00 0.00 -0.21 0.00 0.00 178.00 178.68 1gif n GLN 36 N -4.90 0.01 0.00 1.05 0.00 -1.26 -0.81 117.38 111.47 1gif n GLN 36 Ca 0.37 0.28 0.11 0.00 0.00 0.00 0.00 57.00 57.76 1gif n GLN 36 Cb 1.36 -1.52 0.03 0.00 0.00 0.00 0.00 30.24 30.10 1gif n GLN 36 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.06 177.72 1gif n TYR 37 N -1.54 0.00 -3.25 2.61 4.01 -0.23 -4.95 117.16 113.81 1gif n TYR 37 Ca 0.03 0.00 -0.38 0.00 -0.16 0.00 0.00 57.90 57.39 1gif n TYR 37 Cb 0.16 0.00 -0.06 0.00 -0.31 0.00 0.00 39.34 39.13 1gif n TYR 37 CO 0.00 0.00 0.00 0.42 -0.46 0.00 0.00 176.86 176.82 1gif s ILE 38 N -2.18 5.14 -0.04 -0.72 1.01 0.01 -3.63 121.20 120.79 1gif s ILE 38 Ca 0.20 1.07 0.05 0.00 0.00 0.00 0.00 60.65 61.97 1gif s ILE 38 Cb 0.17 -3.87 -0.02 0.00 0.01 0.00 0.00 42.46 38.75 1gif s ILE 38 CO 0.45 0.32 -0.19 0.00 0.00 0.00 0.00 174.94 175.52 1gif s ALA 39 N 0.60 2.47 -0.04 9.38 0.00 -0.20 -4.99 121.76 128.99 1gif s ALA 39 Ca 0.29 -1.02 0.02 0.00 0.00 0.00 0.00 51.96 51.25 1gif s ALA 39 Cb -0.16 -0.83 0.01 0.00 0.00 0.00 0.00 23.12 22.14 1gif s ALA 39 CO 0.12 0.53 -0.10 0.08 0.00 0.00 0.00 175.76 176.39 1gif s VAL 40 N -0.61 0.89 -0.06 0.00 1.01 -1.26 -1.29 120.40 119.07 1gif s VAL 40 Ca 0.09 -0.39 -0.00 0.00 0.00 0.00 0.00 61.98 61.68 1gif s VAL 40 Cb -0.11 -0.80 0.03 0.00 0.00 0.00 0.00 36.38 35.50 1gif s VAL 40 CO 0.00 0.28 -0.01 -2.28 0.00 0.00 0.00 175.10 173.09 1gif s HIS 41 N 0.35 0.63 -0.11 5.22 2.46 0.61 -4.98 115.29 119.48 1gif s HIS 41 Ca -0.06 -0.15 0.02 0.00 0.47 0.00 0.00 55.06 55.34 1gif s HIS 41 Cb -0.11 -0.70 0.01 0.00 -0.13 0.00 0.00 32.58 31.65 1gif s HIS 41 CO 0.01 -0.26 -0.18 0.08 -2.47 0.00 0.00 174.74 171.93 1gif s VAL 42 N 1.52 1.65 -0.36 0.89 1.01 -1.26 0.02 120.40 123.87 1gif s VAL 42 Ca -0.02 -0.75 0.02 0.00 0.00 0.00 0.00 61.98 61.23 1gif s VAL 42 Cb -0.13 -1.48 0.11 0.00 0.00 0.00 0.00 36.38 34.87 1gif s VAL 42 CO -0.03 0.47 0.11 -0.69 0.00 0.00 0.00 175.10 174.96 1gif s VAL 43 N 0.82 1.68 0.68 2.92 1.01 0.91 -4.96 120.40 123.46 1gif s VAL 43 Ca -0.09 -2.13 -0.02 0.00 0.00 0.00 0.00 61.98 59.74 1gif s VAL 43 Cb -0.16 -2.23 0.14 0.00 0.00 0.00 0.00 36.38 34.13 1gif s VAL 43 CO 0.00 -0.69 0.93 -0.81 0.00 0.00 0.00 175.10 174.54 1gif n PRO 44 N 4.26 -0.20 -1.84 2.72 -0.04 -1.26 -0.39 135.00 138.26 1gif n PRO 44 Ca 0.03 -2.34 -0.18 0.00 -0.04 0.00 0.00 63.50 60.96 1gif n PRO 44 Cb 0.40 -0.68 -0.05 0.00 -0.04 0.00 0.00 33.50 33.13 1gif n PRO 44 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 1gif n ASP 45 N -3.04 -5.20 -4.87 3.54 8.00 0.22 -4.81 116.55 110.39 1gif n ASP 45 Ca 0.15 0.27 -0.31 0.00 0.71 0.00 0.00 54.79 55.61 1gif n ASP 45 Cb 0.53 -4.29 -0.02 0.00 -0.02 0.00 0.00 41.12 37.32 1gif n ASP 45 CO 0.00 0.00 0.00 -1.10 -0.39 0.00 0.00 177.20 175.71 1gif s GLN 46 N -4.05 3.79 -0.69 -1.24 -1.52 -0.31 -4.95 119.66 110.69 1gif s GLN 46 Ca 0.00 0.65 -0.20 0.00 -1.95 0.00 0.00 55.36 53.87 1gif s GLN 46 Cb 0.00 -2.25 0.10 0.00 -0.22 0.00 0.00 33.01 30.64 1gif s GLN 46 CO 0.00 -0.21 0.87 -1.17 -0.25 0.00 0.00 175.29 174.52 1gif s LEU 47 N -4.21 5.09 0.16 2.90 2.96 -1.26 -4.11 118.68 120.21 1gif s LEU 47 Ca 0.54 -1.48 -0.00 0.00 -0.22 0.00 0.00 54.13 52.97 1gif s LEU 47 Cb -0.10 -2.35 -0.04 0.00 0.50 0.00 0.00 46.19 44.19 1gif s LEU 47 CO 0.36 -1.18 0.06 -0.04 -1.32 0.00 0.00 176.35 174.23 1gif s MET 48 N 2.98 1.06 -0.08 1.98 -1.94 -1.26 -5.07 119.30 116.97 1gif s MET 48 Ca 0.19 -1.52 -0.11 0.00 -1.71 0.00 0.00 55.69 52.54 1gif s MET 48 Cb -0.18 0.07 0.03 0.00 2.01 0.00 0.00 34.83 36.76 1gif s MET 48 CO 0.04 -0.25 0.29 0.00 -0.01 0.00 0.00 175.02 175.09 1gif s ALA 49 N -3.94 -0.72 -0.11 3.03 0.00 -1.26 -4.60 121.76 114.16 1gif s ALA 49 Ca 0.28 0.64 -0.01 0.00 0.00 0.00 0.00 51.96 52.87 1gif s ALA 49 Cb 0.07 -0.30 0.03 0.00 0.00 0.00 0.00 23.12 22.92 1gif s ALA 49 CO 0.05 -0.18 -0.06 0.12 0.00 0.00 0.00 175.76 175.69 1gif s PHE 50 N -0.33 1.41 -1.57 0.00 2.19 0.13 -4.68 117.98 115.12 1gif s PHE 50 Ca -0.05 -0.71 -0.03 0.00 0.33 0.00 0.00 56.93 56.48 1gif s PHE 50 Cb -0.03 -1.19 0.00 0.00 -1.31 0.00 0.00 43.02 40.49 1gif s PHE 50 CO 0.01 -0.50 0.44 0.41 1.83 0.00 0.00 175.22 177.41 1gif n GLY 51 N 4.96 -0.47 2.57 13.12 0.00 -1.26 -0.23 105.19 123.89 1gif n GLY 51 Ca -0.12 0.06 0.00 0.00 0.00 0.00 0.00 46.02 45.97 1gif n GLY 51 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1gif n GLY 52 N -1.38 1.89 3.53 -0.02 0.00 -1.26 -5.00 105.19 102.95 1gif n GLY 52 Ca -0.14 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.62 1gif n GLY 52 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1gif s SER 53 N -3.42 4.00 0.00 1.61 0.15 0.69 -5.01 113.70 111.72 1gif s SER 53 Ca 0.00 -0.77 0.17 0.00 0.70 0.00 0.00 55.95 56.05 1gif s SER 53 Cb 0.00 -0.55 0.49 0.00 -1.71 0.00 0.00 66.02 64.24 1gif s SER 53 CO 0.00 0.07 1.40 -1.20 1.20 0.00 0.00 173.24 174.70 1gif n SER 54 N -0.32 2.49 -4.70 5.45 7.64 -1.26 0.18 113.62 123.10 1gif n SER 54 Ca -0.09 -1.94 -0.30 0.00 1.01 0.00 0.00 58.87 57.55 1gif n SER 54 Cb 0.58 -0.27 0.15 0.00 -1.01 0.00 0.00 64.21 63.65 1gif n SER 54 CO 0.00 0.00 0.00 -1.61 -3.01 0.00 0.00 175.04 170.42 1gif s GLU 55 N -1.45 1.07 0.20 1.43 0.41 -1.26 -4.90 118.70 114.19 1gif s GLU 55 Ca 0.33 0.82 -0.32 0.00 -0.41 0.00 0.00 54.97 55.39 1gif s GLU 55 Cb 0.17 -1.79 -0.15 0.00 -1.78 0.00 0.00 34.13 30.59 1gif s GLU 55 CO 0.24 -2.37 1.14 -2.30 -0.49 0.00 0.00 175.26 171.47 1gif n PRO 56 N -3.97 1.24 -3.84 0.39 -0.02 -1.26 -4.82 135.00 122.72 1gif n PRO 56 Ca 0.07 0.44 -0.07 0.00 -2.02 0.00 0.00 63.50 61.92 1gif n PRO 56 Cb 0.55 -1.91 -0.01 0.00 -0.02 0.00 0.00 33.50 32.11 1gif n PRO 56 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1gif s ALA 58 N -3.56 -1.10 -0.17 0.00 0.00 -0.78 -3.32 121.76 112.82 1gif s ALA 58 Ca 0.12 0.84 0.01 0.00 0.00 0.00 0.00 51.96 52.93 1gif s ALA 58 Cb -0.05 -0.20 0.02 0.00 0.00 0.00 0.00 23.12 22.89 1gif s ALA 58 CO 0.07 -0.27 -0.20 -0.51 0.00 0.00 0.00 175.76 174.86 1gif s LEU 59 N -0.81 2.06 0.26 0.00 1.43 -0.60 -1.32 118.68 119.71 1gif s LEU 59 Ca -0.09 -0.61 0.08 0.00 -1.03 0.00 0.00 54.13 52.48 1gif s LEU 59 Cb -0.03 -1.42 -0.05 0.00 0.03 0.00 0.00 46.19 44.71 1gif s LEU 59 CO 0.04 0.01 -0.11 0.00 0.23 0.00 0.00 176.35 176.52 1gif s SER 61 N -3.42 0.06 -0.16 0.00 0.01 -0.25 0.09 113.70 110.03 1gif s SER 61 Ca 0.27 -0.05 -0.00 0.00 1.31 0.00 0.00 55.95 57.47 1gif s SER 61 Cb 0.01 0.01 0.04 0.00 0.21 0.00 0.00 66.02 66.28 1gif s SER 61 CO 0.11 -0.02 -0.06 -0.22 0.41 0.00 0.00 173.24 173.46 1gif s LEU 62 N -0.15 1.64 -0.10 2.44 2.96 0.59 -1.09 118.68 124.97 1gif s LEU 62 Ca -0.01 -0.65 -0.00 0.00 -0.22 0.00 0.00 54.13 53.24 1gif s LEU 62 Cb -0.01 -0.93 -0.03 0.00 0.50 0.00 0.00 46.19 45.72 1gif s LEU 62 CO -0.00 -0.18 -0.07 -1.00 -1.32 0.00 0.00 176.35 173.78 1gif s HIS 63 N 1.62 2.93 0.05 5.38 3.76 0.62 -0.97 115.29 128.69 1gif s HIS 63 Ca 0.01 -0.14 -0.27 0.00 -0.15 0.00 0.00 55.06 54.51 1gif s HIS 63 Cb -0.15 -1.78 0.07 0.00 1.11 0.00 0.00 32.58 31.83 1gif s HIS 63 CO -0.08 0.17 0.64 0.45 -0.85 0.00 0.00 174.74 175.08 1gif s SER 64 N -0.39 -0.61 -0.62 1.40 0.15 -0.46 -0.75 113.70 112.42 1gif s SER 64 Ca 0.06 0.36 -0.19 0.00 0.70 0.00 0.00 55.95 56.88 1gif s SER 64 Cb -0.12 0.57 0.10 0.00 -1.71 0.00 0.00 66.02 64.86 1gif s SER 64 CO 0.02 -0.79 0.76 -0.63 1.20 0.00 0.00 173.24 173.81 1gif s ILE 65 N -2.45 4.76 0.08 6.45 1.01 -1.26 0.53 121.20 130.32 1gif s ILE 65 Ca -0.05 -0.96 0.00 0.00 0.00 0.00 0.00 60.65 59.63 1gif s ILE 65 Cb -0.00 -4.53 0.00 0.00 0.01 0.00 0.00 42.46 37.93 1gif s ILE 65 CO -0.01 -1.19 0.00 0.61 0.00 0.00 0.00 174.94 174.34 1gif n GLY 66 N 5.26 -1.41 2.28 6.18 0.00 -1.26 -4.93 105.19 111.31 1gif n GLY 66 Ca -0.07 -1.45 -0.04 0.00 0.00 0.00 0.00 46.02 44.46 1gif n GLY 66 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1gif n LYS 67 N -1.75 -0.60 -5.02 1.61 4.76 -1.26 -4.91 118.16 110.98 1gif n LYS 67 Ca 0.00 0.48 -0.32 0.00 -2.87 0.00 0.00 58.31 55.60 1gif n LYS 67 Cb 0.15 -4.15 -0.17 0.00 -1.84 0.00 0.00 35.03 29.02 1gif n LYS 67 CO 0.00 0.00 0.00 0.42 -1.37 0.00 0.00 177.40 176.45 1gif s ILE 68 N -1.98 2.14 0.00 -0.18 -1.09 -1.26 -4.84 121.20 113.99 1gif s ILE 68 Ca 0.00 -0.98 0.00 0.00 -2.23 0.00 0.00 60.65 57.44 1gif s ILE 68 Cb 0.00 -1.83 0.00 0.00 -1.58 0.00 0.00 42.46 39.05 1gif s ILE 68 CO 0.00 0.55 0.00 0.61 -1.23 0.00 0.00 174.94 174.87 1gif n GLY 69 N 3.69 -0.42 0.00 6.18 0.00 -1.26 -4.98 105.19 108.40 1gif n GLY 69 Ca -0.19 -1.02 0.00 0.00 0.00 0.00 0.00 46.02 44.81 1gif n GLY 69 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1gif n GLY 70 N -0.24 -1.73 0.28 -0.02 0.00 -1.26 0.10 105.19 102.32 1gif n GLY 70 Ca 0.00 0.37 -0.01 0.00 0.00 0.00 0.00 46.02 46.38 1gif n GLY 70 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1gif h ALA 71 N -1.33 1.33 -0.37 4.61 0.00 -2.00 -2.57 119.26 118.93 1gif h ALA 71 Ca 0.00 -0.21 -0.00 0.00 0.00 0.00 0.00 54.91 54.70 1gif h ALA 71 Cb 0.00 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.61 1gif h ALA 71 CO 0.00 0.46 0.23 1.96 0.00 0.00 0.00 179.25 181.90 1gif h GLN 72 N 0.56 0.50 -0.94 0.00 4.20 -1.86 -1.50 115.11 116.08 1gif h GLN 72 Ca 0.12 -0.04 0.05 0.00 0.06 0.00 0.00 58.65 58.84 1gif h GLN 72 Cb 0.33 -0.11 -0.06 0.00 0.30 0.00 0.00 27.48 27.95 1gif h GLN 72 CO 0.01 0.36 0.61 -0.91 -0.67 0.00 0.00 178.83 178.23 1gif h ASN 73 N 0.49 0.98 -0.74 1.46 2.35 0.10 -0.04 115.58 120.18 1gif h ASN 73 Ca 0.13 0.00 -0.03 0.00 -0.55 0.00 0.00 56.30 55.85 1gif h ASN 73 Cb -0.01 -0.21 -0.03 0.00 0.05 0.00 0.00 38.32 38.11 1gif h ASN 73 CO -0.03 0.64 0.33 0.03 -1.65 0.00 0.00 177.43 176.76 1gif h ARG 74 N 1.12 1.08 -0.09 0.81 3.08 -0.99 -0.64 114.38 118.74 1gif h ARG 74 Ca 0.39 -0.17 -0.18 0.00 0.07 0.00 0.00 59.98 60.08 1gif h ARG 74 Cb 0.12 -0.19 -0.00 0.00 0.08 0.00 0.00 29.97 29.98 1gif h ARG 74 CO -0.14 0.86 -0.72 0.77 -1.07 0.00 0.00 179.97 179.67 1gif h SER 75 N 1.05 0.52 -0.56 7.04 0.02 -0.15 -2.68 113.55 118.78 1gif h SER 75 Ca 0.25 -0.34 0.03 0.00 -0.84 0.00 0.00 61.79 60.89 1gif h SER 75 Cb 0.15 -0.15 -0.04 0.00 0.14 0.00 0.00 62.40 62.50 1gif h SER 75 CO -0.03 1.08 0.34 1.88 -1.14 0.00 0.00 176.83 178.96 1gif h TYR 76 N 0.30 0.63 -0.05 3.45 0.05 -0.85 -0.80 116.97 119.71 1gif h TYR 76 Ca -0.03 0.02 0.03 0.00 0.05 0.00 0.00 58.73 58.80 1gif h TYR 76 Cb 1.29 -0.20 -0.04 0.00 1.01 0.00 0.00 36.73 38.79 1gif h TYR 76 CO 0.05 0.36 -0.18 0.77 -1.05 0.00 0.00 178.16 178.10 1gif h SER 77 N 0.67 -0.55 -0.11 3.88 0.02 -0.97 0.94 113.55 117.43 1gif h SER 77 Ca 0.23 0.09 0.04 0.00 -0.84 0.00 0.00 61.79 61.31 1gif h SER 77 Cb 0.03 0.24 -0.06 0.00 0.14 0.00 0.00 62.40 62.74 1gif h SER 77 CO -0.10 -0.24 -0.32 0.50 -1.14 0.00 0.00 176.83 175.53 1gif h LYS 78 N -0.27 -0.39 -0.02 3.45 3.64 -1.23 0.95 116.57 122.70 1gif h LYS 78 Ca 0.07 0.03 0.03 0.00 -1.27 0.00 0.00 60.65 59.51 1gif h LYS 78 Cb 0.37 0.09 -0.04 0.00 -0.41 0.00 0.00 32.23 32.24 1gif h LYS 78 CO -0.21 -0.26 -0.19 1.25 -2.27 0.00 0.00 179.45 177.77 1gif h LEU 79 N -0.40 -0.57 -0.28 5.20 5.85 -0.69 0.40 115.31 124.82 1gif h LEU 79 Ca 0.09 0.08 -0.07 0.00 0.84 0.00 0.00 57.88 58.82 1gif h LEU 79 Cb 0.54 0.24 -0.01 0.00 0.37 0.00 0.00 40.66 41.80 1gif h LEU 79 CO -0.34 -0.26 -0.10 -0.07 -0.34 0.00 0.00 178.44 177.34 1gif h LEU 80 N -0.30 0.57 -0.80 2.25 3.38 0.14 -0.92 115.31 119.64 1gif h LEU 80 Ca 0.06 -0.39 -0.05 0.00 0.09 0.00 0.00 57.88 57.60 1gif h LEU 80 Cb 0.39 -0.16 -0.04 0.00 0.09 0.00 0.00 40.66 40.94 1gif h LEU 80 CO -0.19 0.83 0.32 0.00 0.09 0.00 0.00 178.44 179.49 1gif h GLY 82 N 1.16 0.14 1.03 0.00 0.00 0.03 0.73 103.07 106.16 1gif h GLY 82 Ca 0.27 0.17 -0.04 0.00 0.00 0.00 0.00 47.33 47.72 1gif h GLY 82 CO -0.02 -0.16 0.29 1.41 0.00 0.00 0.00 176.54 178.06 1gif h LEU 83 N -0.08 1.02 -0.86 3.11 3.38 -0.61 -0.86 115.31 120.41 1gif h LEU 83 Ca 0.16 -0.17 -0.09 0.00 0.09 0.00 0.00 57.88 57.87 1gif h LEU 83 Cb 0.33 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 40.79 1gif h LEU 83 CO -0.38 0.92 -0.14 -0.07 0.09 0.00 0.00 178.44 178.86 1gif h LEU 84 N 1.06 0.69 -0.07 1.67 3.38 -0.51 0.38 115.31 121.91 1gif h LEU 84 Ca 0.25 -0.21 -0.02 0.00 0.09 0.00 0.00 57.88 57.99 1gif h LEU 84 Cb 0.21 -0.19 -0.00 0.00 0.09 0.00 0.00 40.66 40.78 1gif h LEU 84 CO -0.02 0.84 -0.03 0.00 0.09 0.00 0.00 178.44 179.32 1gif h ALA 85 N 1.22 0.09 -0.11 1.53 0.00 -0.71 0.02 119.26 121.30 1gif h ALA 85 Ca 0.11 -0.24 -0.00 0.00 0.00 0.00 0.00 54.91 54.78 1gif h ALA 85 Cb 0.59 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.35 1gif h ALA 85 CO 0.04 -0.15 0.07 1.49 0.00 0.00 0.00 179.25 180.70 1gif h GLU 86 N -0.24 0.15 0.08 0.00 4.81 -0.97 -0.64 114.58 117.77 1gif h GLU 86 Ca 0.01 -0.01 -0.34 0.00 -0.13 0.00 0.00 59.36 58.90 1gif h GLU 86 Cb 0.48 -0.03 -0.03 0.00 0.63 0.00 0.00 28.75 29.80 1gif h GLU 86 CO 0.01 0.13 -1.87 0.54 -0.73 0.00 0.00 179.01 177.09 1gif n ARG 87 N -4.99 0.71 0.00 1.92 5.12 0.13 -4.28 116.66 115.27 1gif n ARG 87 Ca -0.05 0.28 0.08 0.00 -1.93 0.00 0.00 57.85 56.23 1gif n ARG 87 Cb 0.04 -1.75 0.04 0.00 -1.16 0.00 0.00 32.46 29.63 1gif n ARG 87 CO 0.00 0.00 0.00 1.28 -1.93 0.00 0.00 177.63 176.98 1gif n LEU 88 N -3.31 1.99 -2.33 0.55 4.77 -0.09 -4.69 117.00 113.88 1gif n LEU 88 Ca -0.26 -0.90 -0.15 0.00 -0.03 0.00 0.00 56.01 54.67 1gif n LEU 88 Cb 1.05 0.00 0.04 0.00 -2.33 0.00 0.00 43.42 42.18 1gif n LEU 88 CO 0.44 0.36 0.09 0.54 -1.33 0.00 0.00 177.39 177.49 1gif n ARG 89 N 0.44 -4.36 -4.13 3.23 5.12 -0.25 -4.98 116.66 111.74 1gif n ARG 89 Ca 0.08 0.58 -0.36 0.00 -1.93 0.00 0.00 57.85 56.22 1gif n ARG 89 Cb 0.36 -4.79 -0.08 0.00 -1.16 0.00 0.00 32.46 26.80 1gif n ARG 89 CO 0.00 0.00 0.00 0.42 -1.93 0.00 0.00 177.63 176.12 1gif s ILE 90 N -3.10 4.88 0.12 0.55 1.01 -0.89 -4.94 121.20 118.82 1gif s ILE 90 Ca 0.30 -0.03 -0.30 0.00 0.00 0.00 0.00 60.65 60.62 1gif s ILE 90 Cb -0.13 -3.10 -0.07 0.00 0.01 0.00 0.00 42.46 39.17 1gif s ILE 90 CO 0.38 0.60 1.13 -0.55 0.00 0.00 0.00 174.94 176.50 1gif s SER 91 N -0.84 7.19 0.52 3.58 0.15 -1.26 -3.45 113.70 119.59 1gif s SER 91 Ca 0.13 2.04 0.19 0.00 0.70 0.00 0.00 55.95 59.01 1gif s SER 91 Cb -0.12 -2.59 1.29 0.00 -1.71 0.00 0.00 66.02 62.89 1gif s SER 91 CO 0.03 -0.33 2.09 -0.65 1.20 0.00 0.00 173.24 175.58 1gif h PRO 92 N 5.88 0.03 -0.07 5.44 0.10 -1.96 0.36 132.00 141.80 1gif h PRO 92 Ca -0.43 -0.00 0.00 0.00 0.10 0.00 0.00 66.00 65.67 1gif h PRO 92 Cb 1.21 -0.01 0.00 0.00 0.10 0.00 0.00 31.00 32.31 1gif h PRO 92 CO 0.76 0.02 0.00 -0.40 0.10 0.00 0.00 178.00 178.48 1gif n ASP 93 N -4.48 0.41 -0.32 -2.05 5.75 -1.26 -2.45 116.55 112.15 1gif n ASP 93 Ca 0.02 -1.86 0.08 0.00 -0.01 0.00 0.00 54.79 53.02 1gif n ASP 93 Cb 0.28 -0.04 0.17 0.00 -1.03 0.00 0.00 41.12 40.49 1gif n ASP 93 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 1gif n ARG 94 N -0.34 1.46 -4.61 0.11 1.74 0.13 -4.99 116.66 110.15 1gif n ARG 94 Ca 0.06 -2.88 -0.23 0.00 -0.77 0.00 0.00 57.85 54.03 1gif n ARG 94 Cb 0.08 -1.56 -0.15 0.00 -1.02 0.00 0.00 32.46 29.80 1gif n ARG 94 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 1gif s VAL 95 N -3.03 1.08 0.02 1.55 1.01 -1.02 -1.87 120.40 118.14 1gif s VAL 95 Ca 0.35 -0.55 0.09 0.00 0.00 0.00 0.00 61.98 61.87 1gif s VAL 95 Cb 0.32 -0.93 -0.02 0.00 0.00 0.00 0.00 36.38 35.75 1gif s VAL 95 CO -0.01 0.32 -0.26 -0.31 0.00 0.00 0.00 175.10 174.84 1gif s TYR 96 N -0.06 2.32 -0.10 5.22 2.02 -0.43 -5.01 117.35 121.32 1gif s TYR 96 Ca 0.00 -0.42 -0.00 0.00 -0.37 0.00 0.00 57.07 56.27 1gif s TYR 96 Cb -0.08 -1.43 0.02 0.00 -0.40 0.00 0.00 41.96 40.07 1gif s TYR 96 CO 0.01 0.06 -0.07 0.42 -1.57 0.00 0.00 175.55 174.39 1gif s ILE 97 N -0.72 0.91 -0.17 2.71 1.01 -1.26 -1.11 121.20 122.56 1gif s ILE 97 Ca 0.11 -0.23 -0.16 0.00 0.00 0.00 0.00 60.65 60.36 1gif s ILE 97 Cb -0.10 -0.94 -0.04 0.00 0.01 0.00 0.00 42.46 41.39 1gif s ILE 97 CO 0.01 0.34 0.42 0.20 0.00 0.00 0.00 174.94 175.91 1gif s ASN 98 N 1.61 6.51 -0.17 3.58 -0.87 0.11 -4.96 114.94 120.76 1gif s ASN 98 Ca 0.02 0.61 -0.06 0.00 -1.57 0.00 0.00 52.86 51.86 1gif s ASN 98 Cb -0.13 -2.24 -0.03 0.00 -0.02 0.00 0.00 41.25 38.82 1gif s ASN 98 CO -0.06 -0.04 0.02 -0.31 -2.57 0.00 0.00 177.10 174.13 1gif s TYR 99 N 1.05 3.15 -0.15 2.20 2.02 -1.26 -0.30 117.35 124.07 1gif s TYR 99 Ca 0.21 -0.09 0.00 0.00 -0.37 0.00 0.00 57.07 56.82 1gif s TYR 99 Cb -0.15 -2.02 0.02 0.00 -0.40 0.00 0.00 41.96 39.41 1gif s TYR 99 CO 0.08 0.07 -0.12 0.71 -1.57 0.00 0.00 175.55 174.72 1gif s TYR 100 N 0.36 2.05 -0.65 2.71 2.02 -0.14 -4.98 117.35 118.70 1gif s TYR 100 Ca -0.00 -1.15 -0.21 0.00 -0.37 0.00 0.00 57.07 55.33 1gif s TYR 100 Cb -0.13 -1.53 0.08 0.00 -0.40 0.00 0.00 41.96 39.99 1gif s TYR 100 CO 0.01 -0.65 0.89 0.34 -1.57 0.00 0.00 175.55 174.58 1gif s ASP 101 N 1.53 6.20 0.15 2.29 2.15 -1.26 -1.35 116.67 126.37 1gif s ASP 101 Ca 0.04 -1.17 -0.18 0.00 0.43 0.00 0.00 52.55 51.67 1gif s ASP 101 Cb -0.13 -2.38 -0.07 0.00 -0.30 0.00 0.00 42.92 40.03 1gif s ASP 101 CO -0.10 -1.33 0.62 -0.04 -0.17 0.00 0.00 175.17 174.15 1gif s MET 102 N 3.59 4.17 0.09 4.34 -1.94 0.19 -4.90 119.30 124.83 1gif s MET 102 Ca 0.19 0.73 -0.26 0.00 -1.71 0.00 0.00 55.69 54.64 1gif s MET 102 Cb -0.19 -3.03 -0.06 0.00 2.01 0.00 0.00 34.83 33.56 1gif s MET 102 CO 0.08 0.51 0.82 1.21 -0.01 0.00 0.00 175.02 177.63 1gif s ASN 103 N -1.47 7.33 0.41 3.03 3.84 -1.26 -4.17 114.94 122.64 1gif s ASN 103 Ca 0.36 1.58 0.15 0.00 0.21 0.00 0.00 52.86 55.17 1gif s ASN 103 Cb -0.17 -2.51 1.01 0.00 -0.55 0.00 0.00 41.25 39.03 1gif s ASN 103 CO 0.20 0.03 1.88 0.00 -2.79 0.00 0.00 177.10 176.42 1gif h ALA 104 N 5.40 2.08 0.00 1.71 0.00 -1.94 0.47 119.26 126.98 1gif h ALA 104 Ca -0.44 0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.48 1gif h ALA 104 Cb 1.21 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.94 1gif h ALA 104 CO 0.70 -0.33 0.00 0.00 0.00 0.00 0.00 179.25 179.62 1gif n ALA 105 N -2.50 2.20 -0.22 0.00 0.00 -1.26 -2.25 120.51 116.49 1gif n ALA 105 Ca 0.17 -0.12 0.07 0.00 0.00 0.00 0.00 53.44 53.56 1gif n ALA 105 Cb 0.59 -1.35 0.18 0.00 0.00 0.00 0.00 19.45 18.87 1gif n ALA 105 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1gif n ASN 106 N -1.15 3.12 -4.05 0.00 3.02 0.16 -4.86 115.26 111.51 1gif n ASN 106 Ca 0.13 -2.00 -0.32 0.00 -0.03 0.00 0.00 54.58 52.36 1gif n ASN 106 Cb 0.12 -0.28 -0.15 0.00 -0.61 0.00 0.00 39.78 38.86 1gif n ASN 106 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 1gif s VAL 107 N -1.01 2.02 0.11 2.41 1.01 -1.12 -4.93 120.40 118.90 1gif s VAL 107 Ca 0.28 -1.44 -0.21 0.00 0.00 0.00 0.00 61.98 60.61 1gif s VAL 107 Cb 0.15 -2.11 -0.07 0.00 0.00 0.00 0.00 36.38 34.34 1gif s VAL 107 CO 0.19 0.05 0.63 -0.83 0.00 0.00 0.00 175.10 175.14 1gif s GLY 108 N 1.19 2.73 -0.28 4.51 0.00 -1.26 -1.84 107.32 112.37 1gif s GLY 108 Ca -0.06 0.12 -0.18 0.00 0.00 0.00 0.00 44.72 44.61 1gif s GLY 108 CO -0.06 0.56 0.78 0.86 0.00 0.00 0.00 173.10 175.24 1gif s TRP 109 N -1.15 -0.88 -1.07 1.90 -0.00 0.33 -4.96 118.94 113.11 1gif s TRP 109 Ca 0.32 1.81 -0.21 0.00 -0.00 0.00 0.00 56.10 58.02 1gif s TRP 109 Cb -0.20 0.50 0.02 0.00 -0.00 0.00 0.00 33.47 33.79 1gif s TRP 109 CO 0.21 -0.43 0.70 -1.71 -0.00 0.00 0.00 176.95 175.72 1gif n ASN 110 N 3.83 -4.86 0.00 5.86 5.15 -1.26 -1.95 115.26 122.04 1gif n ASN 110 Ca -0.18 -1.07 0.00 0.00 -0.60 0.00 0.00 54.58 52.72 1gif n ASN 110 Cb 0.58 -2.34 0.00 0.00 -0.53 0.00 0.00 39.78 37.49 1gif n ASN 110 CO 0.00 0.00 0.00 0.59 1.40 0.00 0.00 177.26 179.25 1gif n ASN 111 N -2.39 -3.78 -0.26 1.20 3.02 -1.26 -4.91 115.26 106.89 1gif n ASN 111 Ca -0.15 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.40 1gif n ASN 111 Cb 0.60 -1.71 0.00 0.00 -0.61 0.00 0.00 39.78 38.06 1gif n ASN 111 CO 0.00 0.00 0.00 -0.24 -2.62 0.00 0.00 177.26 174.40 1gif n SER 112 N -0.38 0.00 -4.53 6.41 2.88 -0.82 -5.18 113.62 112.01 1gif n SER 112 Ca 0.00 -0.26 -0.25 0.00 -1.33 0.00 0.00 58.87 57.03 1gif n SER 112 Cb 0.19 0.00 -0.11 0.00 -0.75 0.00 0.00 64.21 63.54 1gif n SER 112 CO 0.00 0.00 0.00 0.42 -1.23 0.00 0.00 175.04 174.23 1gif s THR 113 N -2.92 1.53 -1.99 2.46 -4.23 -1.26 -0.51 115.64 108.72 1gif s THR 113 Ca 0.00 -2.00 0.31 0.00 -1.18 0.00 0.00 61.69 58.82 1gif s THR 113 Cb 0.00 -2.86 0.74 0.00 1.34 0.00 0.00 72.50 71.72 1gif s THR 113 CO 0.00 0.00 2.07 0.49 -0.54 0.00 0.00 174.62 176.64 1gif n PHE 114 N -0.83 0.00 1.03 3.99 3.72 -0.77 -4.88 117.46 119.72 1gif n PHE 114 Ca -0.04 0.00 0.08 0.00 -0.05 0.00 0.00 57.45 57.44 1gif n PHE 114 Cb 0.67 -0.05 0.49 0.00 -0.94 0.00 0.00 39.48 39.64 1gif n PHE 114 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71