#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3l5t s MET 2 N 0.00 0.98 -0.11 -0.52 -1.94 -0.29 -0.95 119.30 116.47 3l5t s MET 2 Ca 0.00 -0.23 0.02 0.00 -1.71 0.00 0.00 55.69 53.77 3l5t s MET 2 Cb 0.00 -0.91 0.01 0.00 2.01 0.00 0.00 34.83 35.94 3l5t s MET 2 CO 0.00 0.02 -0.17 0.12 -0.01 0.00 0.00 175.02 174.99 3l5t s PHE 3 N 0.52 2.10 -0.10 -0.03 5.36 -0.09 -0.91 117.98 124.83 3l5t s PHE 3 Ca -0.08 -0.97 0.03 0.00 -0.96 0.00 0.00 56.93 54.95 3l5t s PHE 3 Cb -0.12 -1.48 -0.01 0.00 -0.34 0.00 0.00 43.02 41.07 3l5t s PHE 3 CO 0.01 -0.48 -0.21 0.42 -1.46 0.00 0.00 175.22 173.50 3l5t s ILE 4 N 0.87 2.30 -0.16 3.12 -1.09 -0.25 -1.14 121.20 124.85 3l5t s ILE 4 Ca -0.09 -0.94 0.01 0.00 -2.23 0.00 0.00 60.65 57.41 3l5t s ILE 4 Cb -0.15 -1.90 0.02 0.00 -1.58 0.00 0.00 42.46 38.85 3l5t s ILE 4 CO -0.00 0.55 -0.20 0.68 -1.23 0.00 0.00 174.94 174.74 3l5t s VAL 5 N 0.25 2.00 -0.17 2.92 -7.23 0.25 -1.23 120.40 117.19 3l5t s VAL 5 Ca -0.15 -0.91 -0.05 0.00 -1.81 0.00 0.00 61.98 59.06 3l5t s VAL 5 Cb -0.17 -1.80 -0.03 0.00 0.56 0.00 0.00 36.38 34.94 3l5t s VAL 5 CO 0.07 0.53 -0.01 0.20 -0.31 0.00 0.00 175.10 175.59 3l5t s ASN 6 N 1.17 5.01 0.02 4.85 0.01 -0.19 0.05 114.94 125.85 3l5t s ASN 6 Ca 0.01 -0.08 -0.12 0.00 -0.71 0.00 0.00 52.86 51.96 3l5t s ASN 6 Cb -0.14 -1.83 0.02 0.00 0.41 0.00 0.00 41.25 39.71 3l5t s ASN 6 CO -0.09 0.16 0.26 0.28 -1.51 0.00 0.00 177.10 176.20 3l5t s THR 7 N 0.42 0.08 -2.05 1.60 -1.32 -0.33 -0.59 115.64 113.44 3l5t s THR 7 Ca -0.02 -0.65 0.29 0.00 -1.21 0.00 0.00 61.69 60.11 3l5t s THR 7 Cb -0.14 -0.74 0.60 0.00 -1.51 0.00 0.00 72.50 70.71 3l5t s THR 7 CO 0.02 -0.36 1.90 -0.46 -2.21 0.00 0.00 174.62 173.52 3l5t n ASN 8 N 0.98 0.74 -4.76 8.08 6.94 -1.23 -1.32 115.26 124.69 3l5t n ASN 8 Ca -0.20 -1.04 -0.41 0.00 -0.02 0.00 0.00 54.58 52.91 3l5t n ASN 8 Cb 0.57 -0.01 -0.01 0.00 -2.36 0.00 0.00 39.78 37.97 3l5t n ASN 8 CO 0.00 0.00 0.00 -0.69 -1.03 0.00 0.00 177.26 175.54 3l5t s VAL 9 N -2.18 2.33 0.60 3.53 1.01 -1.26 -4.24 120.40 120.19 3l5t s VAL 9 Ca 0.37 0.30 -0.18 0.00 0.00 0.00 0.00 61.98 62.47 3l5t s VAL 9 Cb 0.21 -3.19 -0.03 0.00 0.00 0.00 0.00 36.38 33.37 3l5t s VAL 9 CO 0.40 0.06 1.17 -2.84 0.00 0.00 0.00 175.10 173.89 3l5t s PRO 10 N -1.11 2.98 0.31 2.72 0.02 -1.26 -0.99 135.00 137.67 3l5t s PRO 10 Ca 0.57 1.70 0.02 0.00 0.02 0.00 0.00 61.00 63.31 3l5t s PRO 10 Cb -0.45 -1.95 0.58 0.00 0.02 0.00 0.00 34.50 32.71 3l5t s PRO 10 CO 0.52 -1.16 1.90 -0.09 -0.33 0.00 0.00 177.00 177.83 3l5t h ARG 11 N 0.75 0.94 0.00 5.54 2.43 -1.93 -1.26 114.38 120.85 3l5t h ARG 11 Ca -0.50 -0.06 -0.01 0.00 -0.81 0.00 0.00 59.98 58.61 3l5t h ARG 11 Cb 1.28 -0.21 -0.00 0.00 -0.42 0.00 0.00 29.97 30.62 3l5t h ARG 11 CO 0.55 0.62 -0.03 0.00 -1.51 0.00 0.00 179.97 179.60 3l5t h ALA 12 N 1.53 1.14 -0.00 2.80 0.00 -2.03 -1.48 119.26 121.22 3l5t h ALA 12 Ca 0.41 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.29 3l5t h ALA 12 Cb 0.31 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.09 3l5t h ALA 12 CO -0.17 0.04 -0.28 0.43 0.00 0.00 0.00 179.25 179.27 3l5t n SER 13 N -3.33 0.57 -4.65 0.00 7.64 -0.48 -4.78 113.62 108.59 3l5t n SER 13 Ca -0.02 -0.40 -0.43 0.00 1.01 0.00 0.00 58.87 59.03 3l5t n SER 13 Cb 0.16 0.05 -0.02 0.00 -1.01 0.00 0.00 64.21 63.39 3l5t n SER 13 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 3l5t s VAL 14 N -2.74 4.54 0.42 0.44 1.01 -0.56 -4.79 120.40 118.72 3l5t s VAL 14 Ca 0.19 1.84 -0.23 0.00 0.00 0.00 0.00 61.98 63.78 3l5t s VAL 14 Cb 0.19 -4.28 -0.09 0.00 0.00 0.00 0.00 36.38 32.20 3l5t s VAL 14 CO 0.58 -0.26 1.05 -2.16 0.00 0.00 0.00 175.10 174.30 3l5t s PRO 15 N 3.42 4.08 0.11 2.72 0.04 -1.26 -4.98 135.00 139.13 3l5t s PRO 15 Ca 0.47 1.47 -0.36 0.00 0.04 0.00 0.00 61.00 62.63 3l5t s PRO 15 Cb -0.16 -2.43 -0.15 0.00 0.04 0.00 0.00 34.50 31.80 3l5t s PRO 15 CO 0.11 -0.21 1.45 -0.25 0.04 0.00 0.00 177.00 178.14 3l5t n ASP 16 N -0.29 2.29 0.00 6.66 10.43 -1.26 -2.16 116.55 132.22 3l5t n ASP 16 Ca 0.06 1.10 0.00 0.00 2.57 0.00 0.00 54.79 58.52 3l5t n ASP 16 Cb 0.50 -1.29 0.00 0.00 1.84 0.00 0.00 41.12 42.17 3l5t n ASP 16 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 3l5t n GLY 17 N 2.94 0.28 0.06 0.44 0.00 -1.26 -4.99 105.19 102.67 3l5t n GLY 17 Ca 0.18 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 46.08 3l5t n GLY 17 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 3l5t h PHE 18 N 0.00 0.07 -0.90 1.61 3.57 -1.82 -0.57 116.94 118.90 3l5t h PHE 18 Ca 0.00 -0.01 0.01 0.00 3.53 0.00 0.00 57.97 61.50 3l5t h PHE 18 Cb 0.00 -0.02 -0.05 0.00 2.79 0.00 0.00 35.95 38.68 3l5t h PHE 18 CO 0.00 0.24 0.60 -0.07 -2.23 0.00 0.00 178.31 176.85 3l5t h LEU 19 N -0.13 1.03 -0.51 0.59 3.38 -1.94 -1.37 115.31 116.37 3l5t h LEU 19 Ca 0.01 -0.03 -0.15 0.00 0.09 0.00 0.00 57.88 57.80 3l5t h LEU 19 Cb 0.20 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 40.69 3l5t h LEU 19 CO -0.00 0.74 -0.44 0.28 0.09 0.00 0.00 178.44 179.12 3l5t h SER 20 N 1.22 0.79 -0.37 -0.43 0.02 -1.91 -0.37 113.55 112.50 3l5t h SER 20 Ca 0.33 -0.37 -0.05 0.00 -0.84 0.00 0.00 61.79 60.86 3l5t h SER 20 Cb -0.13 -0.22 -0.01 0.00 0.14 0.00 0.00 62.40 62.17 3l5t h SER 20 CO -0.07 1.11 0.05 -0.08 -1.14 0.00 0.00 176.83 176.70 3l5t h GLU 21 N 0.59 0.62 -0.50 3.45 4.81 -0.75 -1.32 114.58 121.48 3l5t h GLU 21 Ca 0.04 -0.17 0.02 0.00 -0.13 0.00 0.00 59.36 59.12 3l5t h GLU 21 Cb 0.99 -0.07 -0.03 0.00 0.63 0.00 0.00 28.75 30.27 3l5t h GLU 21 CO 0.09 0.69 0.31 -0.07 -0.73 0.00 0.00 179.01 179.30 3l5t h LEU 22 N 0.45 0.52 -0.22 1.64 3.38 -1.12 -0.33 115.31 119.64 3l5t h LEU 22 Ca 0.11 -0.00 0.01 0.00 0.09 0.00 0.00 57.88 58.09 3l5t h LEU 22 Cb 0.38 -0.12 -0.02 0.00 0.09 0.00 0.00 40.66 40.99 3l5t h LEU 22 CO 0.01 0.37 0.10 0.74 0.09 0.00 0.00 178.44 179.75 3l5t h THR 23 N 0.63 0.99 -0.20 0.22 2.02 -0.78 -0.87 112.91 114.92 3l5t h THR 23 Ca 0.19 -0.08 -0.18 0.00 0.77 0.00 0.00 66.41 67.12 3l5t h THR 23 Cb -0.02 0.75 0.00 0.00 -1.74 0.00 0.00 68.15 67.14 3l5t h THR 23 CO -0.07 0.04 -0.57 1.56 0.37 0.00 0.00 175.52 176.85 3l5t h GLN 24 N 0.22 0.73 -0.12 6.66 4.20 -1.05 -1.71 115.11 124.04 3l5t h GLN 24 Ca 0.09 -0.52 -0.12 0.00 0.06 0.00 0.00 58.65 58.16 3l5t h GLN 24 Cb 0.03 0.09 -0.01 0.00 0.30 0.00 0.00 27.48 27.88 3l5t h GLN 24 CO -0.07 1.14 -0.44 1.96 -0.67 0.00 0.00 178.83 180.75 3l5t h GLN 25 N 0.45 0.30 -0.18 1.46 1.08 -1.01 -1.94 115.11 115.27 3l5t h GLN 25 Ca -0.02 -0.15 -0.17 0.00 -1.45 0.00 0.00 58.65 56.86 3l5t h GLN 25 Cb 1.19 0.00 -0.00 0.00 -0.05 0.00 0.00 27.48 28.62 3l5t h GLN 25 CO 0.12 0.69 -0.59 -0.07 -0.95 0.00 0.00 178.83 178.03 3l5t h LEU 26 N 0.24 0.66 -0.49 1.46 3.38 -1.13 -0.44 115.31 118.99 3l5t h LEU 26 Ca 0.02 -0.37 0.01 0.00 0.09 0.00 0.00 57.88 57.63 3l5t h LEU 26 Cb 0.88 -0.19 -0.03 0.00 0.09 0.00 0.00 40.66 41.42 3l5t h LEU 26 CO 0.07 1.10 0.32 0.00 0.09 0.00 0.00 178.44 180.02 3l5t h ALA 27 N 0.91 0.62 -0.40 1.53 0.00 -1.05 -0.38 119.26 120.50 3l5t h ALA 27 Ca -0.00 -0.03 -0.06 0.00 0.00 0.00 0.00 54.91 54.82 3l5t h ALA 27 Cb 1.15 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.73 3l5t h ALA 27 CO 0.11 0.06 0.03 0.37 0.00 0.00 0.00 179.25 179.82 3l5t h GLN 28 N 0.65 0.68 -0.49 0.00 5.75 -1.27 -0.33 115.11 120.10 3l5t h GLN 28 Ca 0.18 -0.20 -0.12 0.00 -0.15 0.00 0.00 58.65 58.35 3l5t h GLN 28 Cb -0.07 -0.07 -0.01 0.00 1.07 0.00 0.00 27.48 28.40 3l5t h GLN 28 CO -0.05 0.76 -0.17 0.00 -2.65 0.00 0.00 178.83 176.73 3l5t h ALA 29 N 0.90 0.69 0.00 3.38 0.00 -0.84 -3.20 119.26 120.18 3l5t h ALA 29 Ca 0.12 -0.37 0.00 0.00 0.00 0.00 0.00 54.91 54.65 3l5t h ALA 29 Cb 0.43 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.05 3l5t h ALA 29 CO 0.02 0.64 -0.84 0.25 0.00 0.00 0.00 179.25 179.31 3l5t n THR 30 N -4.15 0.37 -1.06 0.00 -2.24 -0.17 -4.94 114.28 102.08 3l5t n THR 30 Ca 0.00 -0.34 -0.02 0.00 -2.27 0.00 0.00 64.05 61.42 3l5t n THR 30 Cb 0.43 -0.09 -0.01 0.00 -2.10 0.00 0.00 70.33 68.56 3l5t n THR 30 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3l5t n GLY 31 N 1.30 0.52 3.90 3.38 0.00 -0.15 -4.95 105.19 109.20 3l5t n GLY 31 Ca 0.02 -0.26 -0.29 0.00 0.00 0.00 0.00 46.02 45.49 3l5t n GLY 31 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3l5t s LYS 32 N -1.26 3.65 0.31 1.61 -0.14 -1.14 -5.03 119.74 117.74 3l5t s LYS 32 Ca 0.00 0.06 -0.29 0.00 -1.36 0.00 0.00 55.97 54.37 3l5t s LYS 32 Cb 0.00 -2.62 -0.11 0.00 -1.68 0.00 0.00 37.83 33.43 3l5t s LYS 32 CO 0.00 0.19 1.46 -1.25 -0.76 0.00 0.00 175.35 174.99 3l5t s PRO 33 N -3.59 4.21 0.59 -1.68 0.04 -1.26 -4.61 135.00 128.70 3l5t s PRO 33 Ca 0.45 2.42 0.29 0.00 0.04 0.00 0.00 61.00 64.19 3l5t s PRO 33 Cb -0.11 -3.05 1.77 0.00 0.04 0.00 0.00 34.50 33.16 3l5t s PRO 33 CO 0.30 -0.45 2.22 -1.00 0.04 0.00 0.00 177.00 178.10 3l5t h PRO 34 N 4.16 0.00 0.00 0.56 0.13 -1.90 -0.78 132.00 134.17 3l5t h PRO 34 Ca -0.48 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.64 3l5t h PRO 34 Cb 1.23 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.35 3l5t h PRO 34 CO 0.72 0.00 -0.03 1.96 -0.23 0.00 0.00 178.00 180.42 3l5t h GLN 35 N 0.00 0.00 -0.14 0.86 7.50 -1.97 -2.31 115.11 119.04 3l5t h GLN 35 Ca 0.02 0.00 0.00 0.00 0.50 0.00 0.00 58.65 59.17 3l5t h GLN 35 Cb 0.12 0.00 0.00 0.00 0.05 0.00 0.00 27.48 27.65 3l5t h GLN 35 CO -0.00 0.03 0.00 0.66 -1.50 0.00 0.00 178.83 178.02 3l5t n TYR 36 N -3.34 0.16 -3.16 2.96 4.01 -0.30 -4.94 117.16 112.54 3l5t n TYR 36 Ca -0.02 -0.09 -0.39 0.00 -0.16 0.00 0.00 57.90 57.24 3l5t n TYR 36 Cb 0.15 -0.00 -0.06 0.00 -0.31 0.00 0.00 39.34 39.13 3l5t n TYR 36 CO 0.00 0.00 0.00 0.42 -0.46 0.00 0.00 176.86 176.82 3l5t s ILE 37 N -1.74 5.07 -0.06 -0.72 -1.09 -0.87 -2.66 121.20 119.14 3l5t s ILE 37 Ca 0.30 1.16 0.04 0.00 -2.23 0.00 0.00 60.65 59.92 3l5t s ILE 37 Cb 0.20 -3.93 -0.02 0.00 -1.58 0.00 0.00 42.46 37.13 3l5t s ILE 37 CO 0.29 0.19 -0.16 0.00 -1.23 0.00 0.00 174.94 174.03 3l5t s ALA 38 N 1.39 2.57 0.04 9.38 0.00 -0.13 -4.99 121.76 130.03 3l5t s ALA 38 Ca 0.29 -0.99 0.04 0.00 0.00 0.00 0.00 51.96 51.31 3l5t s ALA 38 Cb -0.16 -0.94 -0.02 0.00 0.00 0.00 0.00 23.12 22.00 3l5t s ALA 38 CO 0.12 0.50 -0.13 0.14 0.00 0.00 0.00 175.76 176.39 3l5t s VAL 39 N -0.53 1.01 -0.12 0.00 -7.23 -1.26 -0.91 120.40 111.37 3l5t s VAL 39 Ca 0.07 -1.00 -0.04 0.00 -1.81 0.00 0.00 61.98 59.20 3l5t s VAL 39 Cb -0.12 -0.94 0.06 0.00 0.56 0.00 0.00 36.38 35.95 3l5t s VAL 39 CO 0.01 -0.05 0.23 -2.28 -0.31 0.00 0.00 175.10 172.70 3l5t s HIS 40 N -0.91 -0.36 -0.14 2.82 5.04 -0.29 -4.96 115.29 116.48 3l5t s HIS 40 Ca -0.00 0.87 0.02 0.00 -1.54 0.00 0.00 55.06 54.41 3l5t s HIS 40 Cb -0.08 -0.10 0.01 0.00 0.04 0.00 0.00 32.58 32.45 3l5t s HIS 40 CO 0.01 -0.33 -0.20 0.08 -2.34 0.00 0.00 174.74 171.96 3l5t s VAL 41 N 2.37 2.25 -0.36 0.89 1.01 -1.26 -0.58 120.40 124.71 3l5t s VAL 41 Ca 0.02 -0.92 0.03 0.00 0.00 0.00 0.00 61.98 61.11 3l5t s VAL 41 Cb -0.12 -1.91 0.11 0.00 0.00 0.00 0.00 36.38 34.45 3l5t s VAL 41 CO -0.08 0.54 0.10 -0.69 0.00 0.00 0.00 175.10 174.97 3l5t s VAL 42 N 0.79 1.93 0.84 2.92 1.01 0.11 -4.98 120.40 123.02 3l5t s VAL 42 Ca -0.07 -2.26 -0.11 0.00 0.00 0.00 0.00 61.98 59.54 3l5t s VAL 42 Cb -0.16 -2.42 0.14 0.00 0.00 0.00 0.00 36.38 33.95 3l5t s VAL 42 CO -0.01 -0.66 1.18 -2.16 0.00 0.00 0.00 175.10 173.45 3l5t s PRO 43 N 0.89 1.31 -1.61 2.72 0.04 -1.26 -1.19 135.00 135.90 3l5t s PRO 43 Ca 0.12 -0.46 0.00 0.00 0.04 0.00 0.00 61.00 60.70 3l5t s PRO 43 Cb -0.20 -2.02 0.00 0.00 0.04 0.00 0.00 34.50 32.32 3l5t s PRO 43 CO -0.10 -1.89 0.00 -0.25 0.04 0.00 0.00 177.00 174.79 3l5t n ASP 44 N -3.36 -5.32 -4.83 6.66 8.00 -0.17 -4.84 116.55 112.69 3l5t n ASP 44 Ca 0.13 0.03 -0.33 0.00 0.71 0.00 0.00 54.79 55.33 3l5t n ASP 44 Cb 0.60 -4.39 -0.06 0.00 -0.02 0.00 0.00 41.12 37.24 3l5t n ASP 44 CO 0.00 0.00 0.00 -1.10 -0.39 0.00 0.00 177.20 175.71 3l5t s GLN 45 N -4.78 4.12 -0.76 -1.24 -1.52 -0.43 -4.95 119.66 110.11 3l5t s GLN 45 Ca 0.00 0.85 -0.23 0.00 -1.95 0.00 0.00 55.36 54.03 3l5t s GLN 45 Cb 0.00 -2.44 0.07 0.00 -0.22 0.00 0.00 33.01 30.42 3l5t s GLN 45 CO 0.00 0.15 1.10 -1.17 -0.25 0.00 0.00 175.29 175.11 3l5t s LEU 46 N -2.85 4.20 0.13 2.90 2.96 -1.26 -4.08 118.68 120.67 3l5t s LEU 46 Ca 0.55 -1.13 -0.07 0.00 -0.22 0.00 0.00 54.13 53.26 3l5t s LEU 46 Cb -0.11 -2.45 -0.01 0.00 0.50 0.00 0.00 46.19 44.11 3l5t s LEU 46 CO 0.17 -1.45 0.20 0.00 -1.32 0.00 0.00 176.35 173.95 3l5t s MET 47 N 4.21 0.99 0.03 1.98 0.23 -1.26 -5.08 119.30 120.40 3l5t s MET 47 Ca 0.29 -1.14 0.01 0.00 -1.03 0.00 0.00 55.69 53.82 3l5t s MET 47 Cb -0.12 0.34 -0.02 0.00 -1.53 0.00 0.00 34.83 33.50 3l5t s MET 47 CO 0.06 -0.33 -0.06 0.00 -2.03 0.00 0.00 175.02 172.66 3l5t s ALA 48 N -3.94 0.40 -0.11 3.16 0.00 -1.26 -4.64 121.76 115.37 3l5t s ALA 48 Ca 0.14 -0.66 -0.00 0.00 0.00 0.00 0.00 51.96 51.44 3l5t s ALA 48 Cb 0.05 0.07 0.02 0.00 0.00 0.00 0.00 23.12 23.26 3l5t s ALA 48 CO -0.04 -0.06 -0.08 0.12 0.00 0.00 0.00 175.76 175.70 3l5t s PHE 49 N -1.30 1.45 -1.19 0.00 2.19 -0.53 -4.67 117.98 113.93 3l5t s PHE 49 Ca -0.11 -0.70 0.00 0.00 0.33 0.00 0.00 56.93 56.45 3l5t s PHE 49 Cb -0.09 -1.20 0.00 0.00 -1.31 0.00 0.00 43.02 40.42 3l5t s PHE 49 CO -0.00 -0.49 0.00 0.41 1.83 0.00 0.00 175.22 176.97 3l5t n GLY 50 N 4.85 1.19 1.79 13.12 0.00 -1.26 -2.06 105.19 122.82 3l5t n GLY 50 Ca -0.13 -0.26 0.00 0.00 0.00 0.00 0.00 46.02 45.63 3l5t n GLY 50 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3l5t n GLY 51 N -0.96 1.72 3.88 -0.02 0.00 -1.26 -5.03 105.19 103.52 3l5t n GLY 51 Ca -0.11 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.56 3l5t n GLY 51 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3l5t s SER 52 N -3.18 6.50 -0.12 1.61 0.15 -0.87 -4.99 113.70 112.80 3l5t s SER 52 Ca 0.00 0.58 0.17 0.00 0.70 0.00 0.00 55.95 57.40 3l5t s SER 52 Cb 0.00 -2.10 0.71 0.00 -1.71 0.00 0.00 66.02 62.92 3l5t s SER 52 CO 0.00 0.28 1.61 -1.54 1.20 0.00 0.00 173.24 174.78 3l5t n SER 53 N 1.28 4.69 -4.50 5.45 3.41 -1.26 -1.45 113.62 121.24 3l5t n SER 53 Ca -0.13 -2.47 -0.32 0.00 -0.26 0.00 0.00 58.87 55.70 3l5t n SER 53 Cb 0.53 -0.58 0.15 0.00 -0.26 0.00 0.00 64.21 64.05 3l5t n SER 53 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 3l5t n GLU 54 N 1.05 -0.65 -1.65 4.33 4.71 -1.26 -4.85 120.64 122.33 3l5t n GLU 54 Ca 0.25 -0.14 -0.45 0.00 -0.01 0.00 0.00 57.16 56.81 3l5t n GLU 54 Cb 0.89 -2.05 -0.03 0.00 -1.01 0.00 0.00 31.44 29.24 3l5t n GLU 54 CO 0.00 0.00 0.00 -2.30 0.09 0.00 0.00 177.13 174.92 3l5t n PRO 55 N -2.91 1.80 -3.99 3.49 -0.02 -1.26 -4.81 135.00 127.30 3l5t n PRO 55 Ca 0.08 0.64 -0.09 0.00 -2.02 0.00 0.00 63.50 62.10 3l5t n PRO 55 Cb 0.54 -2.23 -0.05 0.00 -0.02 0.00 0.00 33.50 31.74 3l5t n PRO 55 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3l5t s ALA 57 N -3.85 -0.49 -0.16 0.00 0.00 -0.59 -3.50 121.76 113.16 3l5t s ALA 57 Ca 0.22 0.48 0.01 0.00 0.00 0.00 0.00 51.96 52.67 3l5t s ALA 57 Cb -0.01 -0.27 0.01 0.00 0.00 0.00 0.00 23.12 22.85 3l5t s ALA 57 CO 0.10 -0.11 -0.19 -0.51 0.00 0.00 0.00 175.76 175.05 3l5t s LEU 58 N -0.11 2.23 0.15 0.00 1.43 0.24 -1.68 118.68 120.95 3l5t s LEU 58 Ca -0.02 -0.59 0.06 0.00 -1.03 0.00 0.00 54.13 52.56 3l5t s LEU 58 Cb -0.02 -1.50 -0.04 0.00 0.03 0.00 0.00 46.19 44.66 3l5t s LEU 58 CO 0.01 0.04 -0.14 0.00 0.23 0.00 0.00 176.35 176.49 3l5t s SER 60 N -2.86 1.07 -0.16 0.00 0.01 -0.37 -0.61 113.70 110.79 3l5t s SER 60 Ca 0.15 -0.16 0.01 0.00 1.31 0.00 0.00 55.95 57.25 3l5t s SER 60 Cb -0.02 -0.17 0.02 0.00 0.21 0.00 0.00 66.02 66.06 3l5t s SER 60 CO 0.04 0.09 -0.16 -0.22 0.41 0.00 0.00 173.24 173.40 3l5t s LEU 61 N -0.09 1.86 -0.15 2.44 2.96 -0.12 -1.09 118.68 124.50 3l5t s LEU 61 Ca 0.02 -0.55 -0.03 0.00 -0.22 0.00 0.00 54.13 53.35 3l5t s LEU 61 Cb -0.05 -1.29 -0.03 0.00 0.50 0.00 0.00 46.19 45.32 3l5t s LEU 61 CO -0.00 -0.04 -0.05 -1.00 -1.32 0.00 0.00 176.35 173.94 3l5t s HIS 62 N 1.41 2.99 -0.05 5.38 3.76 -0.09 -0.94 115.29 127.77 3l5t s HIS 62 Ca 0.05 -0.31 -0.12 0.00 -0.15 0.00 0.00 55.06 54.53 3l5t s HIS 62 Cb -0.13 -1.92 0.02 0.00 1.11 0.00 0.00 32.58 31.66 3l5t s HIS 62 CO -0.12 -0.02 0.28 0.45 -0.85 0.00 0.00 174.74 174.48 3l5t s SER 63 N 0.26 -0.20 -0.72 1.40 0.15 -0.79 -1.14 113.70 112.65 3l5t s SER 63 Ca -0.04 0.24 -0.25 0.00 0.70 0.00 0.00 55.95 56.61 3l5t s SER 63 Cb -0.14 0.41 0.05 0.00 -1.71 0.00 0.00 66.02 64.63 3l5t s SER 63 CO 0.03 -0.30 1.16 -0.63 1.20 0.00 0.00 173.24 174.70 3l5t s ILE 64 N -0.74 3.99 0.02 6.45 1.01 -1.26 -0.55 121.20 130.12 3l5t s ILE 64 Ca -0.08 0.01 0.00 0.00 0.00 0.00 0.00 60.65 60.58 3l5t s ILE 64 Cb -0.04 -4.83 0.00 0.00 0.01 0.00 0.00 42.46 37.60 3l5t s ILE 64 CO 0.02 -1.69 0.00 0.61 0.00 0.00 0.00 174.94 173.88 3l5t n GLY 65 N 5.42 -2.04 2.42 6.18 0.00 -1.26 -4.94 105.19 110.97 3l5t n GLY 65 Ca 0.02 -1.41 -0.20 0.00 0.00 0.00 0.00 46.02 44.43 3l5t n GLY 65 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3l5t n LYS 66 N -0.85 -1.73 -5.10 1.61 4.76 -1.26 -4.91 118.16 110.67 3l5t n LYS 66 Ca 0.00 0.98 -0.30 0.00 -2.87 0.00 0.00 58.31 56.12 3l5t n LYS 66 Cb 0.05 -5.60 -0.17 0.00 -1.84 0.00 0.00 35.03 27.48 3l5t n LYS 66 CO 0.00 0.00 0.00 0.42 -1.37 0.00 0.00 177.40 176.45 3l5t s ILE 67 N -2.94 1.85 0.00 -0.18 -1.09 -1.26 -4.86 121.20 112.73 3l5t s ILE 67 Ca 0.00 -0.93 0.00 0.00 -2.23 0.00 0.00 60.65 57.49 3l5t s ILE 67 Cb 0.00 -1.59 0.00 0.00 -1.58 0.00 0.00 42.46 39.29 3l5t s ILE 67 CO 0.00 0.52 0.00 0.61 -1.23 0.00 0.00 174.94 174.84 3l5t n GLY 68 N 3.30 -0.12 0.21 6.18 0.00 -1.26 -4.98 105.19 108.52 3l5t n GLY 68 Ca -0.19 -1.00 -0.07 0.00 0.00 0.00 0.00 46.02 44.77 3l5t n GLY 68 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 3l5t h GLY 69 N 0.00 -1.40 1.19 -0.02 0.00 -1.99 0.46 103.07 101.31 3l5t h GLY 69 Ca 0.00 0.71 -0.15 0.00 0.00 0.00 0.00 47.33 47.89 3l5t h GLY 69 CO 0.00 -0.43 -0.34 0.00 0.00 0.00 0.00 176.54 175.78 3l5t h ALA 70 N -0.86 0.66 -0.67 3.60 0.00 -2.00 -2.60 119.26 117.40 3l5t h ALA 70 Ca 0.02 -0.43 -0.05 0.00 0.00 0.00 0.00 54.91 54.45 3l5t h ALA 70 Cb 0.30 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 17.93 3l5t h ALA 70 CO -0.22 0.67 0.24 1.96 0.00 0.00 0.00 179.25 181.90 3l5t h GLN 71 N 0.75 1.02 -0.23 0.00 4.20 -1.88 -1.93 115.11 117.03 3l5t h GLN 71 Ca 0.07 -0.20 -0.11 0.00 0.06 0.00 0.00 58.65 58.48 3l5t h GLN 71 Cb 0.91 -0.16 -0.01 0.00 0.30 0.00 0.00 27.48 28.52 3l5t h GLN 71 CO 0.08 0.87 -0.31 -0.91 -0.67 0.00 0.00 178.83 177.89 3l5t h ASN 72 N 0.96 0.47 -0.36 1.46 2.35 0.03 -0.29 115.58 120.21 3l5t h ASN 72 Ca 0.22 -0.18 -0.08 0.00 -0.55 0.00 0.00 56.30 55.72 3l5t h ASN 72 Cb 0.25 -0.13 -0.02 0.00 0.05 0.00 0.00 38.32 38.47 3l5t h ASN 72 CO -0.01 0.76 -0.04 0.03 -1.65 0.00 0.00 177.43 176.52 3l5t h ARG 73 N 0.40 0.75 -0.26 0.81 3.08 -1.23 -0.81 114.38 117.12 3l5t h ARG 73 Ca 0.05 -0.21 -0.04 0.00 0.07 0.00 0.00 59.98 59.84 3l5t h ARG 73 Cb 0.74 -0.08 -0.01 0.00 0.08 0.00 0.00 29.97 30.70 3l5t h ARG 73 CO 0.06 0.79 -0.01 1.03 -1.07 0.00 0.00 179.97 180.77 3l5t h SER 74 N 0.70 0.46 -0.95 7.04 0.87 -0.78 -2.03 113.55 118.87 3l5t h SER 74 Ca 0.13 -0.32 0.03 0.00 -1.23 0.00 0.00 61.79 60.40 3l5t h SER 74 Cb 0.49 -0.12 -0.05 0.00 -0.44 0.00 0.00 62.40 62.27 3l5t h SER 74 CO 0.02 0.67 0.62 1.88 -0.53 0.00 0.00 176.83 179.49 3l5t h TYR 75 N 0.24 1.16 -0.65 2.24 0.05 -0.91 -1.66 116.97 117.44 3l5t h TYR 75 Ca 0.07 0.03 -0.07 0.00 0.05 0.00 0.00 58.73 58.81 3l5t h TYR 75 Cb 0.44 -0.39 -0.03 0.00 1.01 0.00 0.00 36.73 37.77 3l5t h TYR 75 CO 0.04 0.68 0.14 0.77 -1.05 0.00 0.00 178.16 178.74 3l5t h SER 76 N 1.21 1.01 -0.41 3.88 0.02 -0.96 0.18 113.55 118.48 3l5t h SER 76 Ca 0.37 -0.24 -0.04 0.00 -0.84 0.00 0.00 61.79 61.04 3l5t h SER 76 Cb -0.03 -0.27 -0.02 0.00 0.14 0.00 0.00 62.40 62.23 3l5t h SER 76 CO -0.11 0.99 0.12 0.50 -1.14 0.00 0.00 176.83 177.18 3l5t h LYS 77 N 0.98 0.65 0.29 3.45 3.64 -1.00 0.95 116.57 125.53 3l5t h LYS 77 Ca 0.20 -0.15 -0.01 0.00 -1.27 0.00 0.00 60.65 59.42 3l5t h LYS 77 Cb 0.39 -0.09 0.00 0.00 -0.41 0.00 0.00 32.23 32.12 3l5t h LYS 77 CO 0.01 0.66 -0.14 1.25 -2.27 0.00 0.00 179.45 178.96 3l5t h LEU 78 N 0.53 -0.33 -0.23 5.20 5.85 -0.98 -1.24 115.31 124.11 3l5t h LEU 78 Ca 0.13 -0.05 -0.18 0.00 0.84 0.00 0.00 57.88 58.62 3l5t h LEU 78 Cb 0.29 0.08 0.00 0.00 0.37 0.00 0.00 40.66 41.41 3l5t h LEU 78 CO -0.00 -0.16 -0.58 -0.07 -0.34 0.00 0.00 178.44 177.29 3l5t h LEU 79 N -0.47 0.90 -1.02 2.25 3.38 -0.59 -1.58 115.31 118.18 3l5t h LEU 79 Ca -0.04 -0.57 -0.03 0.00 0.09 0.00 0.00 57.88 57.33 3l5t h LEU 79 Cb 0.35 -0.26 -0.03 0.00 0.09 0.00 0.00 40.66 40.81 3l5t h LEU 79 CO 0.06 1.30 0.30 0.00 0.09 0.00 0.00 178.44 180.20 3l5t h GLY 81 N 1.06 0.98 1.18 0.00 0.00 -0.90 -0.61 103.07 104.78 3l5t h GLY 81 Ca 0.24 -0.40 -0.15 0.00 0.00 0.00 0.00 47.33 47.01 3l5t h GLY 81 CO -0.03 0.39 -0.37 1.41 0.00 0.00 0.00 176.54 177.95 3l5t h LEU 82 N 0.92 0.95 -0.88 3.11 3.38 -0.91 -1.24 115.31 120.64 3l5t h LEU 82 Ca 0.24 -0.43 -0.10 0.00 0.09 0.00 0.00 57.88 57.69 3l5t h LEU 82 Cb -0.04 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 40.43 3l5t h LEU 82 CO -0.05 1.21 -0.22 -0.07 0.09 0.00 0.00 178.44 179.41 3l5t h LEU 83 N 0.74 0.58 -0.14 1.67 3.38 -0.92 0.24 115.31 120.86 3l5t h LEU 83 Ca 0.06 -0.19 -0.06 0.00 0.09 0.00 0.00 57.88 57.78 3l5t h LEU 83 Cb 0.95 -0.16 -0.00 0.00 0.09 0.00 0.00 40.66 41.54 3l5t h LEU 83 CO 0.09 0.80 -0.15 0.00 0.09 0.00 0.00 178.44 179.27 3l5t h ALA 84 N 1.25 0.21 -0.24 1.53 0.00 -1.01 -1.16 119.26 119.83 3l5t h ALA 84 Ca 0.08 -0.33 -0.07 0.00 0.00 0.00 0.00 54.91 54.59 3l5t h ALA 84 Cb 0.66 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.40 3l5t h ALA 84 CO 0.05 0.09 -0.14 1.49 0.00 0.00 0.00 179.25 180.74 3l5t h GLU 85 N -0.03 0.52 0.08 0.00 4.81 -1.09 -1.87 114.58 117.00 3l5t h GLU 85 Ca 0.02 -0.24 -0.36 0.00 -0.13 0.00 0.00 59.36 58.66 3l5t h GLU 85 Cb 0.68 -0.01 -0.03 0.00 0.63 0.00 0.00 28.75 30.02 3l5t h GLU 85 CO 0.04 0.79 -2.02 0.54 -0.73 0.00 0.00 179.01 177.63 3l5t n ARG 86 N -4.47 0.72 0.00 1.92 5.12 0.06 -4.40 116.66 115.61 3l5t n ARG 86 Ca -0.04 0.24 0.06 0.00 -1.93 0.00 0.00 57.85 56.18 3l5t n ARG 86 Cb 0.36 -1.69 0.01 0.00 -1.16 0.00 0.00 32.46 29.97 3l5t n ARG 86 CO 0.00 0.00 0.00 1.28 -1.93 0.00 0.00 177.63 176.98 3l5t n LEU 87 N -3.35 1.44 -3.20 0.55 4.77 -0.52 -4.63 117.00 112.05 3l5t n LEU 87 Ca -0.31 -0.80 -0.22 0.00 -0.03 0.00 0.00 56.01 54.65 3l5t n LEU 87 Cb 1.05 0.00 0.06 0.00 -2.33 0.00 0.00 43.42 42.19 3l5t n LEU 87 CO 0.41 0.28 0.12 0.54 -1.33 0.00 0.00 177.39 177.41 3l5t n ARG 88 N -0.08 -6.25 -3.61 3.23 1.74 -0.70 -4.96 116.66 106.03 3l5t n ARG 88 Ca 0.05 0.84 -0.36 0.00 -0.77 0.00 0.00 57.85 57.61 3l5t n ARG 88 Cb 0.26 -5.73 -0.08 0.00 -1.02 0.00 0.00 32.46 25.89 3l5t n ARG 88 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 3l5t s ILE 89 N -3.24 5.34 0.25 0.55 1.01 -0.93 -4.95 121.20 119.23 3l5t s ILE 89 Ca 0.43 0.36 -0.30 0.00 0.00 0.00 0.00 60.65 61.14 3l5t s ILE 89 Cb -0.19 -3.56 -0.11 0.00 0.01 0.00 0.00 42.46 38.61 3l5t s ILE 89 CO 0.53 0.37 1.53 -0.55 0.00 0.00 0.00 174.94 176.82 3l5t s SER 90 N 0.67 6.54 0.50 3.58 0.15 -1.26 -3.42 113.70 120.46 3l5t s SER 90 Ca 0.12 2.76 0.20 0.00 0.70 0.00 0.00 55.95 59.73 3l5t s SER 90 Cb -0.13 -2.62 1.26 0.00 -1.71 0.00 0.00 66.02 62.83 3l5t s SER 90 CO 0.03 -0.80 2.03 -0.65 1.20 0.00 0.00 173.24 175.04 3l5t h PRO 91 N 5.36 0.11 -0.11 5.44 0.11 -1.97 0.37 132.00 141.32 3l5t h PRO 91 Ca -0.46 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.65 3l5t h PRO 91 Cb 1.22 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 32.30 3l5t h PRO 91 CO 0.81 0.07 0.00 -0.40 -0.21 0.00 0.00 178.00 178.28 3l5t n ASP 92 N -4.44 0.60 -0.65 -2.05 5.68 -1.26 -2.57 116.55 111.86 3l5t n ASP 92 Ca 0.07 -1.95 0.06 0.00 -0.50 0.00 0.00 54.79 52.47 3l5t n ASP 92 Cb 0.43 -0.07 0.20 0.00 -1.14 0.00 0.00 41.12 40.53 3l5t n ASP 92 CO 0.00 0.00 0.00 0.54 -1.33 0.00 0.00 177.20 176.41 3l5t n ARG 93 N -0.19 1.55 -5.05 0.11 1.74 0.12 -5.00 116.66 109.93 3l5t n ARG 93 Ca 0.05 -3.27 -0.30 0.00 -0.77 0.00 0.00 57.85 53.56 3l5t n ARG 93 Cb 0.10 -1.57 -0.17 0.00 -1.02 0.00 0.00 32.46 29.81 3l5t n ARG 93 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 3l5t s VAL 94 N -3.13 1.79 -0.06 1.55 1.01 -1.06 -1.55 120.40 118.95 3l5t s VAL 94 Ca 0.38 -0.88 0.03 0.00 0.00 0.00 0.00 61.98 61.51 3l5t s VAL 94 Cb 0.37 -1.56 -0.03 0.00 0.00 0.00 0.00 36.38 35.17 3l5t s VAL 94 CO -0.07 0.50 -0.13 -0.31 0.00 0.00 0.00 175.10 175.09 3l5t s TYR 95 N 0.32 2.76 -0.16 5.22 2.02 -0.68 -4.99 117.35 121.85 3l5t s TYR 95 Ca -0.15 -0.17 -0.00 0.00 -0.37 0.00 0.00 57.07 56.39 3l5t s TYR 95 Cb -0.16 -1.67 0.03 0.00 -0.40 0.00 0.00 41.96 39.76 3l5t s TYR 95 CO 0.06 0.18 -0.09 0.42 -1.57 0.00 0.00 175.55 174.56 3l5t s ILE 96 N -0.63 1.28 -0.16 2.71 1.01 -1.26 -0.16 121.20 123.98 3l5t s ILE 96 Ca 0.09 -0.61 -0.21 0.00 0.00 0.00 0.00 60.65 59.92 3l5t s ILE 96 Cb -0.11 -1.34 -0.03 0.00 0.01 0.00 0.00 42.46 40.98 3l5t s ILE 96 CO 0.01 0.26 0.62 0.20 0.00 0.00 0.00 174.94 176.03 3l5t s ASN 97 N 1.58 6.73 -0.17 3.58 0.01 0.22 -4.95 114.94 121.95 3l5t s ASN 97 Ca 0.02 0.89 -0.10 0.00 -0.71 0.00 0.00 52.86 52.96 3l5t s ASN 97 Cb -0.14 -2.35 -0.05 0.00 0.41 0.00 0.00 41.25 39.12 3l5t s ASN 97 CO -0.09 -0.20 0.16 -0.31 -1.51 0.00 0.00 177.10 175.15 3l5t s TYR 98 N 1.51 3.47 -0.15 2.20 2.02 -1.26 -0.94 117.35 124.20 3l5t s TYR 98 Ca 0.30 0.43 0.00 0.00 -0.37 0.00 0.00 57.07 57.44 3l5t s TYR 98 Cb -0.16 -2.13 0.02 0.00 -0.40 0.00 0.00 41.96 39.29 3l5t s TYR 98 CO 0.12 0.41 -0.15 0.71 -1.57 0.00 0.00 175.55 175.07 3l5t s TYR 99 N -0.03 2.20 -0.64 2.71 2.02 -0.11 -4.98 117.35 118.52 3l5t s TYR 99 Ca 0.11 -1.24 -0.23 0.00 -0.37 0.00 0.00 57.07 55.34 3l5t s TYR 99 Cb -0.12 -1.61 0.06 0.00 -0.40 0.00 0.00 41.96 39.89 3l5t s TYR 99 CO 0.01 -0.67 0.99 0.34 -1.57 0.00 0.00 175.55 174.65 3l5t s ASP 100 N 1.46 6.21 0.10 2.29 2.15 -1.26 -1.89 116.67 125.74 3l5t s ASP 100 Ca 0.05 -0.77 -0.24 0.00 0.43 0.00 0.00 52.55 52.01 3l5t s ASP 100 Cb -0.13 -2.44 -0.07 0.00 -0.30 0.00 0.00 42.92 39.99 3l5t s ASP 100 CO -0.11 -1.43 0.75 -0.04 -0.17 0.00 0.00 175.17 174.17 3l5t s MET 101 N 4.23 4.50 0.32 4.34 -1.94 0.29 -4.90 119.30 126.14 3l5t s MET 101 Ca 0.26 1.07 -0.28 0.00 -1.71 0.00 0.00 55.69 55.03 3l5t s MET 101 Cb -0.15 -3.30 -0.09 0.00 2.01 0.00 0.00 34.83 33.29 3l5t s MET 101 CO 0.13 0.45 1.08 1.21 -0.01 0.00 0.00 175.02 177.88 3l5t s ASN 102 N -0.66 7.11 0.43 3.03 3.84 -1.26 -4.11 114.94 123.32 3l5t s ASN 102 Ca 0.36 2.20 0.16 0.00 0.21 0.00 0.00 52.86 55.79 3l5t s ASN 102 Cb -0.22 -2.61 1.06 0.00 -0.55 0.00 0.00 41.25 38.93 3l5t s ASN 102 CO 0.24 -0.25 1.94 0.00 -2.79 0.00 0.00 177.10 176.24 3l5t h ALA 103 N 3.42 2.11 0.00 1.71 0.00 -1.95 0.18 119.26 124.73 3l5t h ALA 103 Ca -0.47 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.43 3l5t h ALA 103 Cb 1.21 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.94 3l5t h ALA 103 CO 0.65 -0.29 0.00 0.00 0.00 0.00 0.00 179.25 179.61 3l5t h ALA 104 N 1.66 1.00 -0.48 0.00 0.00 -1.92 -2.76 119.26 116.76 3l5t h ALA 104 Ca 0.34 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.25 3l5t h ALA 104 Cb 0.78 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.57 3l5t h ALA 104 CO -0.10 0.00 0.00 0.09 0.00 0.00 0.00 179.25 179.24 3l5t n ASN 105 N -2.60 4.17 -4.04 0.00 5.03 0.63 -4.84 115.26 113.61 3l5t n ASN 105 Ca 0.02 -2.51 -0.31 0.00 0.87 0.00 0.00 54.58 52.64 3l5t n ASN 105 Cb 0.29 -0.50 -0.16 0.00 -1.02 0.00 0.00 39.78 38.39 3l5t n ASN 105 CO 0.00 0.00 0.00 -0.69 -1.83 0.00 0.00 177.26 174.74 3l5t s VAL 106 N -1.94 1.89 0.27 2.41 1.01 -1.14 -4.89 120.40 118.00 3l5t s VAL 106 Ca 0.43 -1.18 -0.14 0.00 0.00 0.00 0.00 61.98 61.09 3l5t s VAL 106 Cb 0.29 -1.92 -0.08 0.00 0.00 0.00 0.00 36.38 34.67 3l5t s VAL 106 CO 0.18 0.19 0.66 -0.83 0.00 0.00 0.00 175.10 175.31 3l5t s GLY 107 N 1.28 2.37 -0.29 4.51 0.00 -1.26 -2.52 107.32 111.41 3l5t s GLY 107 Ca -0.02 -0.05 -0.25 0.00 0.00 0.00 0.00 44.72 44.40 3l5t s GLY 107 CO -0.08 0.16 1.13 0.86 0.00 0.00 0.00 173.10 175.17 3l5t s TRP 108 N -1.83 -0.38 -1.35 1.90 -0.00 0.17 -4.95 118.94 112.51 3l5t s TRP 108 Ca 0.49 0.91 -0.00 0.00 -0.00 0.00 0.00 56.10 57.50 3l5t s TRP 108 Cb -0.12 0.39 0.00 0.00 -0.00 0.00 0.00 33.47 33.74 3l5t s TRP 108 CO 0.19 -0.18 0.58 -1.71 -0.00 0.00 0.00 176.95 175.83 3l5t n ASN 109 N 2.11 -0.82 0.00 5.86 4.05 -1.26 -1.24 115.26 123.96 3l5t n ASN 109 Ca -0.12 -0.90 0.00 0.00 0.45 0.00 0.00 54.58 54.01 3l5t n ASN 109 Cb 0.56 -3.64 0.00 0.00 1.23 0.00 0.00 39.78 37.93 3l5t n ASN 109 CO 0.00 0.00 0.00 0.59 -3.05 0.00 0.00 177.26 174.80 3l5t n ASN 110 N -3.03 -0.85 0.00 1.20 3.02 -1.26 -4.89 115.26 109.45 3l5t n ASN 110 Ca -0.30 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.25 3l5t n ASN 110 Cb 0.68 -0.71 0.00 0.00 -0.61 0.00 0.00 39.78 39.14 3l5t n ASN 110 CO 0.00 0.00 0.00 -0.24 -2.62 0.00 0.00 177.26 174.40 3l5t n SER 111 N -0.05 0.00 -2.53 6.41 2.88 -0.37 -5.19 113.62 114.76 3l5t n SER 111 Ca 0.00 0.00 -0.11 0.00 -1.33 0.00 0.00 58.87 57.43 3l5t n SER 111 Cb 0.03 0.00 -0.03 0.00 -0.75 0.00 0.00 64.21 63.46 3l5t n SER 111 CO 0.00 0.00 0.00 0.35 -1.23 0.00 0.00 175.04 174.16 3l5t n THR 112 N 0.00 0.00 1.28 2.46 -2.24 -1.26 -0.66 114.28 113.87 3l5t n THR 112 Ca 0.00 -0.98 0.11 0.00 -2.27 0.00 0.00 64.05 60.90 3l5t n THR 112 Cb 0.00 0.34 0.40 0.00 -2.10 0.00 0.00 70.33 68.96 3l5t n THR 112 CO 0.00 0.00 0.00 0.49 -0.57 0.00 0.00 175.07 174.99 3l5t n PHE 113 N -0.40 0.18 -3.15 4.78 3.72 -1.05 -4.60 117.46 116.96 3l5t n PHE 113 Ca -0.03 -0.09 -0.45 0.00 -0.05 0.00 0.00 57.45 56.82 3l5t n PHE 113 Cb 0.25 0.00 -0.03 0.00 -0.94 0.00 0.00 39.48 38.76 3l5t n PHE 113 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 3l5t s ALA 114 N -1.82 3.62 -1.19 4.37 0.00 -1.18 -4.77 121.76 120.79 3l5t s ALA 114 Ca 0.33 -2.70 0.11 0.00 0.00 0.00 0.00 51.96 49.69 3l5t s ALA 114 Cb 0.18 -3.63 0.19 0.00 0.00 0.00 0.00 23.12 19.86 3l5t s ALA 114 CO 0.27 -2.46 1.04 1.28 0.00 0.00 0.00 175.76 175.89 3l5t n LEU 115 N 5.61 2.41 0.06 0.00 4.77 -1.26 -4.69 117.00 123.89 3l5t n LEU 115 Ca 0.05 -1.47 -0.18 0.00 -0.03 0.00 0.00 56.01 54.38 3l5t n LEU 115 Cb 0.45 -0.11 -0.14 0.00 -2.33 0.00 0.00 43.42 41.29 3l5t n LEU 115 CO 0.49 0.54 -0.43 -0.33 -1.33 0.00 0.00 177.39 176.33 3l5t h GLU 116 N 2.13 0.28 0.00 3.23 3.07 -1.99 -3.54 114.58 117.76 3l5t h GLU 116 Ca 0.00 -0.48 0.00 0.00 -0.50 0.00 0.00 59.36 58.38 3l5t h GLU 116 Cb 0.59 0.18 0.00 0.00 -0.84 0.00 0.00 28.75 28.68 3l5t h GLU 116 CO 0.00 1.15 0.00 0.72 -1.40 0.00 0.00 179.01 179.48