#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3g1t n GLN 6 N 0.00 1.04 -1.55 2.98 6.02 -1.26 -4.85 117.38 119.76 3g1t n GLN 6 Ca 0.00 -3.74 -0.31 0.00 -0.01 0.00 0.00 57.00 52.93 3g1t n GLN 6 Cb 0.00 -1.84 0.06 0.00 1.02 0.00 0.00 30.24 29.48 3g1t n GLN 6 CO 0.00 0.00 0.00 -1.25 -1.01 0.00 0.00 177.06 174.80 3g1t s PRO 7 N -0.91 2.83 0.68 -1.09 0.04 -1.26 -5.03 135.00 130.26 3g1t s PRO 7 Ca 0.32 1.02 -0.17 0.00 0.04 0.00 0.00 61.00 62.21 3g1t s PRO 7 Cb 0.05 -1.97 -0.03 0.00 0.04 0.00 0.00 34.50 32.59 3g1t s PRO 7 CO -0.15 -1.19 0.81 1.63 0.04 0.00 0.00 177.00 178.14 3g1t n LYS 8 N -3.12 0.55 0.16 4.56 5.02 -1.26 -4.90 118.16 119.18 3g1t n LYS 8 Ca 0.08 0.23 0.13 0.00 -2.02 0.00 0.00 58.31 56.73 3g1t n LYS 8 Cb 0.53 -2.06 0.57 0.00 -0.02 0.00 0.00 35.03 34.05 3g1t n LYS 8 CO 0.00 0.00 0.00 0.37 -0.52 0.00 0.00 177.40 177.25 3g1t h GLN 9 N -0.05 0.00 -0.37 1.97 5.75 -1.94 -1.34 115.11 119.13 3g1t h GLN 9 Ca -0.47 0.00 -0.10 0.00 -0.15 0.00 0.00 58.65 57.93 3g1t h GLN 9 Cb 1.35 0.00 -0.06 0.00 1.07 0.00 0.00 27.48 29.85 3g1t h GLN 9 CO 0.47 0.00 0.03 -0.40 -2.65 0.00 0.00 178.83 176.28 3g1t n ASP 10 N -2.39 3.57 -0.31 -0.69 5.75 -1.26 -4.05 116.55 117.16 3g1t n ASP 10 Ca 0.01 -3.29 0.11 0.00 -0.01 0.00 0.00 54.79 51.60 3g1t n ASP 10 Cb 0.19 -0.61 0.24 0.00 -1.03 0.00 0.00 41.12 39.91 3g1t n ASP 10 CO 0.00 0.00 0.00 0.25 -0.11 0.00 0.00 177.20 177.34 3g1t h LEU 11 N 1.64 -0.44 -3.27 -2.12 5.85 -1.35 -2.15 115.31 113.47 3g1t h LEU 11 Ca 0.12 0.25 0.00 0.00 0.84 0.00 0.00 57.88 59.09 3g1t h LEU 11 Cb 1.66 0.44 0.00 0.00 0.37 0.00 0.00 40.66 43.13 3g1t h LEU 11 CO 0.36 -0.28 0.00 0.18 -0.34 0.00 0.00 178.44 178.36 3g1t n LEU 12 N -5.44 4.64 -4.68 2.25 4.77 -0.14 -4.76 117.00 113.64 3g1t n LEU 12 Ca 0.19 -2.69 -0.46 0.00 -0.03 0.00 0.00 56.01 53.02 3g1t n LEU 12 Cb 0.64 -0.57 -0.04 0.00 -2.33 0.00 0.00 43.42 41.12 3g1t n LEU 12 CO -0.03 0.72 1.32 1.67 -1.33 0.00 0.00 177.39 179.74 3g1t n GLN 13 N 0.50 2.26 -1.00 3.23 -0.06 -0.81 -0.28 117.38 121.22 3g1t n GLN 13 Ca 0.24 0.82 0.00 0.00 -2.00 0.00 0.00 57.00 56.06 3g1t n GLN 13 Cb 0.94 -2.63 0.00 0.00 -4.06 0.00 0.00 30.24 24.49 3g1t n GLN 13 CO 0.00 0.00 0.00 0.09 -0.20 0.00 0.00 177.06 176.95 3g1t n ASN 14 N 4.60 -4.99 -4.77 1.69 3.02 -0.83 -4.92 115.26 109.06 3g1t n ASN 14 Ca 0.19 0.00 -0.39 0.00 -0.03 0.00 0.00 54.58 54.35 3g1t n ASN 14 Cb 0.30 -2.52 -0.06 0.00 -0.61 0.00 0.00 39.78 36.90 3g1t n ASN 14 CO 0.00 0.00 0.00 -0.13 -2.62 0.00 0.00 177.26 174.51 3g1t s ARG 15 N -1.34 4.33 -0.34 3.52 0.52 0.62 -4.74 118.95 121.51 3g1t s ARG 15 Ca 0.00 0.79 -0.14 0.00 -0.52 0.00 0.00 55.73 55.86 3g1t s ARG 15 Cb 0.00 -3.32 -0.01 0.00 0.52 0.00 0.00 34.95 32.13 3g1t s ARG 15 CO 0.00 0.41 0.28 0.42 0.02 0.00 0.00 175.30 176.43 3g1t s ILE 16 N -0.36 5.25 -0.07 1.52 1.01 -1.26 -0.27 121.20 127.01 3g1t s ILE 16 Ca 0.32 -0.14 0.01 0.00 0.00 0.00 0.00 60.65 60.83 3g1t s ILE 16 Cb -0.19 -3.76 0.02 0.00 0.01 0.00 0.00 42.46 38.55 3g1t s ILE 16 CO 0.18 -0.04 -0.07 -0.63 0.00 0.00 0.00 174.94 174.38 3g1t s ILE 17 N 1.82 0.84 -0.09 2.92 1.01 0.05 -0.25 121.20 127.50 3g1t s ILE 17 Ca 0.08 -0.25 -0.22 0.00 0.00 0.00 0.00 60.65 60.26 3g1t s ILE 17 Cb -0.17 -0.84 -0.04 0.00 0.01 0.00 0.00 42.46 41.42 3g1t s ILE 17 CO 0.11 0.31 0.65 -0.22 0.00 0.00 0.00 174.94 175.79 3g1t s LEU 18 N 1.18 4.29 -0.19 2.97 2.96 -0.33 -1.14 118.68 128.41 3g1t s LEU 18 Ca -0.06 1.08 0.01 0.00 -0.22 0.00 0.00 54.13 54.94 3g1t s LEU 18 Cb -0.14 -2.99 0.04 0.00 0.50 0.00 0.00 46.19 43.60 3g1t s LEU 18 CO -0.02 -0.11 -0.11 -0.69 -1.32 0.00 0.00 176.35 174.10 3g1t s VAL 19 N 0.90 1.65 0.52 1.68 1.01 0.10 -0.78 120.40 125.48 3g1t s VAL 19 Ca 0.34 -0.97 -0.03 0.00 0.00 0.00 0.00 61.98 61.32 3g1t s VAL 19 Cb -0.17 -1.70 -0.00 0.00 0.00 0.00 0.00 36.38 34.51 3g1t s VAL 19 CO 0.16 0.21 0.79 0.42 0.00 0.00 0.00 175.10 176.68 3g1t s THR 20 N 1.40 3.91 -1.60 3.92 -4.23 -0.37 -1.24 115.64 117.43 3g1t s THR 20 Ca -0.00 -0.20 -0.03 0.00 -1.18 0.00 0.00 61.69 60.28 3g1t s THR 20 Cb -0.16 -3.50 0.00 0.00 1.34 0.00 0.00 72.50 70.19 3g1t s THR 20 CO -0.09 -0.44 0.39 0.61 -0.54 0.00 0.00 174.62 174.55 3g1t n GLY 21 N -2.34 -0.48 0.03 3.99 0.00 -0.59 -3.61 105.19 102.19 3g1t n GLY 21 Ca 0.03 0.06 0.15 0.00 0.00 0.00 0.00 46.02 46.26 3g1t n GLY 21 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3g1t n ALA 22 N -2.99 2.63 0.12 4.61 0.00 -0.85 -3.68 120.51 120.35 3g1t n ALA 22 Ca -0.16 -0.20 -0.03 0.00 0.00 0.00 0.00 53.44 53.05 3g1t n ALA 22 Cb 0.64 -1.48 0.13 0.00 0.00 0.00 0.00 19.45 18.74 3g1t n ALA 22 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.50 178.27 3g1t h SER 23 N 0.14 0.08 -3.11 0.00 0.02 -1.89 -3.05 113.55 105.75 3g1t h SER 23 Ca 0.00 -0.05 -0.06 0.00 -0.84 0.00 0.00 61.79 60.84 3g1t h SER 23 Cb 0.12 -0.02 -0.00 0.00 0.14 0.00 0.00 62.40 62.64 3g1t h SER 23 CO 0.00 0.71 0.22 -0.90 -1.14 0.00 0.00 176.83 175.72 3g1t n ASP 24 N -3.78 -2.16 0.00 3.07 5.68 -1.26 -4.82 116.55 113.28 3g1t n ASP 24 Ca -0.02 -2.63 0.00 0.00 -0.50 0.00 0.00 54.79 51.65 3g1t n ASP 24 Cb 0.65 3.64 0.00 0.00 -1.14 0.00 0.00 41.12 44.27 3g1t n ASP 24 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3g1t n GLY 25 N -0.54 2.44 0.24 6.12 0.00 -1.26 -1.90 105.19 110.29 3g1t n GLY 25 Ca -0.08 -0.45 -0.06 0.00 0.00 0.00 0.00 46.02 45.44 3g1t n GLY 25 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 3g1t h ILE 26 N 0.00 1.28 0.00 -0.61 2.04 -1.94 -1.94 117.51 116.34 3g1t h ILE 26 Ca 0.00 -1.38 -0.00 0.00 1.00 0.00 0.00 64.86 64.48 3g1t h ILE 26 Cb 0.00 1.38 0.00 0.00 -0.74 0.00 0.00 36.82 37.46 3g1t h ILE 26 CO 0.00 0.44 -0.00 1.23 0.00 0.00 0.00 178.15 179.82 3g1t h GLY 27 N 1.02 -0.00 0.83 5.37 0.00 -1.65 0.13 103.07 108.77 3g1t h GLY 27 Ca 0.06 0.00 0.03 0.00 0.00 0.00 0.00 47.33 47.43 3g1t h GLY 27 CO 0.06 -0.00 0.33 -0.09 0.00 0.00 0.00 176.54 176.84 3g1t h ARG 28 N -0.08 0.62 -0.48 4.80 2.43 -1.26 -1.45 114.38 118.96 3g1t h ARG 28 Ca -0.00 -0.04 0.05 0.00 -0.81 0.00 0.00 59.98 59.18 3g1t h ARG 28 Cb 0.07 -0.14 -0.05 0.00 -0.42 0.00 0.00 29.97 29.44 3g1t h ARG 28 CO 0.00 0.41 0.21 1.49 -1.51 0.00 0.00 179.97 180.58 3g1t h GLU 29 N 0.64 0.41 -0.50 0.20 4.57 -1.11 -1.26 114.58 117.54 3g1t h GLU 29 Ca 0.23 -0.02 -0.12 0.00 -1.18 0.00 0.00 59.36 58.27 3g1t h GLU 29 Cb 0.06 -0.09 -0.02 0.00 -0.16 0.00 0.00 28.75 28.54 3g1t h GLU 29 CO -0.12 0.27 -0.16 0.00 -1.18 0.00 0.00 179.01 177.83 3g1t h ALA 30 N 1.28 0.78 0.07 2.92 0.00 -0.55 -0.33 119.26 123.43 3g1t h ALA 30 Ca 0.22 -0.36 0.01 0.00 0.00 0.00 0.00 54.91 54.77 3g1t h ALA 30 Cb 0.17 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.77 3g1t h ALA 30 CO -0.18 0.66 -0.08 0.00 0.00 0.00 0.00 179.25 179.65 3g1t h ALA 31 N 0.96 -0.14 -0.28 0.00 0.00 -0.95 0.39 119.26 119.24 3g1t h ALA 31 Ca 0.12 -0.02 0.06 0.00 0.00 0.00 0.00 54.91 55.08 3g1t h ALA 31 Cb 0.71 0.12 -0.06 0.00 0.00 0.00 0.00 17.79 18.57 3g1t h ALA 31 CO 0.05 -0.59 -0.09 -0.07 0.00 0.00 0.00 179.25 178.55 3g1t h LEU 32 N -0.17 -0.33 -0.19 0.00 3.38 -1.15 -1.53 115.31 115.31 3g1t h LEU 32 Ca 0.01 0.09 -0.03 0.00 0.09 0.00 0.00 57.88 58.05 3g1t h LEU 32 Cb 0.17 0.20 -0.01 0.00 0.09 0.00 0.00 40.66 41.12 3g1t h LEU 32 CO -0.03 -0.12 0.02 0.74 0.09 0.00 0.00 178.44 179.13 3g1t h THR 33 N -0.04 1.24 -0.68 0.22 2.02 -0.84 -0.75 112.91 114.08 3g1t h THR 33 Ca 0.14 -0.79 0.04 0.00 0.77 0.00 0.00 66.41 66.57 3g1t h THR 33 Cb 0.25 1.39 -0.05 0.00 -1.74 0.00 0.00 68.15 67.99 3g1t h THR 33 CO -0.31 0.24 0.41 1.88 0.37 0.00 0.00 175.52 178.11 3g1t h TYR 34 N 0.10 0.76 -0.77 3.16 0.05 -0.19 -1.54 116.97 118.54 3g1t h TYR 34 Ca 0.06 0.02 0.01 0.00 0.05 0.00 0.00 58.73 58.87 3g1t h TYR 34 Cb 0.35 -0.24 -0.04 0.00 1.01 0.00 0.00 36.73 37.80 3g1t h TYR 34 CO 0.03 0.41 0.50 0.00 -1.05 0.00 0.00 178.16 178.05 3g1t h ALA 35 N 1.31 0.99 0.00 3.88 0.00 -1.16 -1.03 119.26 123.25 3g1t h ALA 35 Ca 0.28 -0.05 -0.03 0.00 0.00 0.00 0.00 54.91 55.12 3g1t h ALA 35 Cb 0.08 -0.30 -0.00 0.00 0.00 0.00 0.00 17.79 17.57 3g1t h ALA 35 CO -0.13 0.36 -0.13 0.00 0.00 0.00 0.00 179.25 179.35 3g1t h ARG 36 N 1.02 0.00 -0.82 0.00 3.08 -0.53 -1.43 114.38 115.69 3g1t h ARG 36 Ca 0.29 0.00 -0.17 0.00 0.07 0.00 0.00 59.98 60.17 3g1t h ARG 36 Cb -0.08 0.00 -0.10 0.00 0.08 0.00 0.00 29.97 29.87 3g1t h ARG 36 CO -0.08 0.13 0.21 0.66 -1.07 0.00 0.00 179.97 179.82 3g1t n TYR 37 N -3.85 1.91 -0.43 3.04 4.01 -0.64 -4.89 117.16 116.30 3g1t n TYR 37 Ca -0.02 -0.97 0.00 0.00 -0.16 0.00 0.00 57.90 56.75 3g1t n TYR 37 Cb 0.22 -0.57 0.00 0.00 -0.31 0.00 0.00 39.34 38.68 3g1t n TYR 37 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3g1t n GLY 38 N -0.05 0.73 3.75 2.72 0.00 -0.54 -0.97 105.19 110.83 3g1t n GLY 38 Ca 0.32 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.98 3g1t n GLY 38 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3g1t s ALA 39 N -2.88 2.47 -0.49 4.61 0.00 -0.43 -1.96 121.76 123.07 3g1t s ALA 39 Ca 0.00 1.01 -0.19 0.00 0.00 0.00 0.00 51.96 52.78 3g1t s ALA 39 Cb 0.00 -3.47 0.05 0.00 0.00 0.00 0.00 23.12 19.71 3g1t s ALA 39 CO 0.00 -1.32 0.61 0.99 0.00 0.00 0.00 175.76 176.04 3g1t s THR 40 N -1.63 4.90 -0.04 0.00 2.01 0.63 -4.43 115.64 117.08 3g1t s THR 40 Ca 0.78 -0.44 -0.06 0.00 0.31 0.00 0.00 61.69 62.28 3g1t s THR 40 Cb -0.31 -4.26 -0.04 0.00 0.01 0.00 0.00 72.50 67.89 3g1t s THR 40 CO 0.36 -0.75 0.21 -0.69 -0.69 0.00 0.00 174.62 173.06 3g1t s VAL 41 N 2.58 5.39 -0.11 3.82 1.01 -1.26 -0.77 120.40 131.06 3g1t s VAL 41 Ca 0.15 0.12 0.03 0.00 0.00 0.00 0.00 61.98 62.29 3g1t s VAL 41 Cb -0.19 -3.51 0.01 0.00 0.00 0.00 0.00 36.38 32.68 3g1t s VAL 41 CO 0.13 0.44 -0.21 -0.63 0.00 0.00 0.00 175.10 174.83 3g1t s ILE 42 N -1.21 1.90 -0.13 2.22 1.01 -0.29 -4.03 121.20 120.66 3g1t s ILE 42 Ca 0.23 -0.91 -0.06 0.00 0.00 0.00 0.00 60.65 59.91 3g1t s ILE 42 Cb -0.13 -1.66 -0.04 0.00 0.01 0.00 0.00 42.46 40.64 3g1t s ILE 42 CO 0.13 0.52 0.09 -0.76 0.00 0.00 0.00 174.94 174.92 3g1t s LEU 43 N 0.54 4.06 -0.02 2.97 1.43 -0.40 0.03 118.68 127.28 3g1t s LEU 43 Ca -0.15 0.29 0.05 0.00 -1.03 0.00 0.00 54.13 53.29 3g1t s LEU 43 Cb -0.17 -1.99 -0.01 0.00 0.03 0.00 0.00 46.19 44.05 3g1t s LEU 43 CO 0.05 0.34 -0.16 -0.22 0.23 0.00 0.00 176.35 176.59 3g1t s LEU 44 N -0.60 1.98 0.00 1.79 0.20 -0.38 -1.10 118.68 120.57 3g1t s LEU 44 Ca 0.12 -0.30 -0.16 0.00 0.69 0.00 0.00 54.13 54.47 3g1t s LEU 44 Cb -0.12 -0.86 0.06 0.00 -0.43 0.00 0.00 46.19 44.84 3g1t s LEU 44 CO 0.02 0.18 0.78 0.61 -0.29 0.00 0.00 176.35 177.65 3g1t n GLY 45 N 2.87 0.83 0.08 7.98 0.00 -0.87 -1.54 105.19 114.53 3g1t n GLY 45 Ca -0.16 -1.12 -0.04 0.00 0.00 0.00 0.00 46.02 44.70 3g1t n GLY 45 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 3g1t h ARG 46 N 0.00 -0.07 -5.48 1.61 3.08 -1.87 0.25 114.38 111.89 3g1t h ARG 46 Ca -0.22 0.01 -0.63 0.00 0.07 0.00 0.00 59.98 59.20 3g1t h ARG 46 Cb 0.95 0.02 -0.13 0.00 0.08 0.00 0.00 29.97 30.88 3g1t h ARG 46 CO 0.30 0.14 0.14 1.21 -1.07 0.00 0.00 179.97 180.69 3g1t s ASN 47 N -5.58 6.43 0.17 7.04 2.47 -1.26 -4.61 114.94 119.59 3g1t s ASN 47 Ca -0.05 0.15 -0.22 0.00 0.42 0.00 0.00 52.86 53.16 3g1t s ASN 47 Cb -0.00 -2.33 0.08 0.00 -1.45 0.00 0.00 41.25 37.55 3g1t s ASN 47 CO 0.17 -0.59 1.59 -0.08 -3.72 0.00 0.00 177.10 174.47 3g1t h GLU 48 N 8.46 -0.21 -0.33 0.43 4.81 -1.96 -1.89 114.58 123.88 3g1t h GLU 48 Ca -0.26 0.01 -0.08 0.00 -0.13 0.00 0.00 59.36 58.90 3g1t h GLU 48 Cb 1.11 0.05 -0.02 0.00 0.63 0.00 0.00 28.75 30.52 3g1t h GLU 48 CO 0.84 -0.14 -0.13 0.93 -0.73 0.00 0.00 179.01 179.78 3g1t h GLU 49 N -0.22 0.58 -0.53 1.92 4.39 -1.99 -0.39 114.58 118.35 3g1t h GLU 49 Ca 0.19 -0.18 -0.07 0.00 0.34 0.00 0.00 59.36 59.65 3g1t h GLU 49 Cb 0.54 -0.06 -0.02 0.00 -0.10 0.00 0.00 28.75 29.11 3g1t h GLU 49 CO -0.59 0.70 0.05 0.87 -1.16 0.00 0.00 179.01 178.88 3g1t h LYS 50 N 0.53 0.86 -0.45 2.33 1.57 -1.87 -1.87 116.57 117.68 3g1t h LYS 50 Ca 0.09 -0.22 -0.12 0.00 -1.87 0.00 0.00 60.65 58.54 3g1t h LYS 50 Cb 0.54 -0.11 -0.01 0.00 0.08 0.00 0.00 32.23 32.73 3g1t h LYS 50 CO 0.03 0.83 -0.20 -0.07 -0.57 0.00 0.00 179.45 179.48 3g1t h LEU 51 N 0.81 0.95 -1.11 2.94 3.38 -1.06 -2.70 115.31 118.52 3g1t h LEU 51 Ca 0.16 -0.40 0.01 0.00 0.09 0.00 0.00 57.88 57.75 3g1t h LEU 51 Cb 0.41 -0.26 -0.05 0.00 0.09 0.00 0.00 40.66 40.85 3g1t h LEU 51 CO 0.01 1.13 0.60 -0.09 0.09 0.00 0.00 178.44 180.19 3g1t h ARG 52 N 0.76 1.19 -0.60 1.13 2.43 -0.75 -0.54 114.38 118.00 3g1t h ARG 52 Ca 0.10 -0.07 -0.10 0.00 -0.81 0.00 0.00 59.98 59.10 3g1t h ARG 52 Cb 0.76 -0.27 -0.02 0.00 -0.42 0.00 0.00 29.97 30.03 3g1t h ARG 52 CO 0.06 0.78 -0.03 -0.09 -1.51 0.00 0.00 179.97 179.19 3g1t h ARG 53 N 1.22 1.07 -0.21 0.20 2.43 -1.08 0.78 114.38 118.80 3g1t h ARG 53 Ca 0.34 -0.36 -0.10 0.00 -0.81 0.00 0.00 59.98 59.05 3g1t h ARG 53 Cb -0.12 -0.09 -0.00 0.00 -0.42 0.00 0.00 29.97 29.34 3g1t h ARG 53 CO -0.08 1.06 -0.26 0.28 -1.51 0.00 0.00 179.97 179.47 3g1t h VAL 54 N 0.97 1.33 -0.70 0.20 2.07 -1.15 -2.03 116.25 116.95 3g1t h VAL 54 Ca 0.17 -1.45 -0.00 0.00 0.82 0.00 0.00 66.70 66.23 3g1t h VAL 54 Cb 0.59 1.78 -0.03 0.00 -1.52 0.00 0.00 31.29 32.11 3g1t h VAL 54 CO 0.04 0.44 0.42 0.00 0.02 0.00 0.00 177.57 178.49 3g1t h ALA 55 N 0.63 1.42 -0.29 1.67 0.00 -0.76 -1.33 119.26 120.60 3g1t h ALA 55 Ca 0.03 -0.08 -0.10 0.00 0.00 0.00 0.00 54.91 54.75 3g1t h ALA 55 Cb 0.82 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 18.32 3g1t h ALA 55 CO 0.06 0.50 -0.24 1.96 0.00 0.00 0.00 179.25 181.52 3g1t h GLN 56 N 0.96 0.57 -0.36 0.00 1.08 -0.70 -0.53 115.11 116.12 3g1t h GLN 56 Ca 0.25 -0.22 -0.03 0.00 -1.45 0.00 0.00 58.65 57.20 3g1t h GLN 56 Cb -0.04 -0.03 -0.02 0.00 -0.05 0.00 0.00 27.48 27.35 3g1t h GLN 56 CO -0.05 0.77 0.11 1.25 -0.95 0.00 0.00 178.83 179.96 3g1t h HIS 57 N 0.50 0.58 -0.43 2.96 2.76 -0.75 0.29 115.15 121.06 3g1t h HIS 57 Ca 0.07 -0.06 -0.06 0.00 -2.20 0.00 0.00 60.37 58.12 3g1t h HIS 57 Cb 0.69 -0.17 -0.02 0.00 1.55 0.00 0.00 27.41 29.47 3g1t h HIS 57 CO 0.03 0.56 0.02 0.82 -1.30 0.00 0.00 177.93 178.06 3g1t h ILE 58 N 0.44 1.26 -0.70 6.26 2.04 -1.05 -2.33 117.51 123.42 3g1t h ILE 58 Ca 0.12 -0.99 0.02 0.00 1.00 0.00 0.00 64.86 65.01 3g1t h ILE 58 Cb 0.25 1.04 -0.04 0.00 -0.74 0.00 0.00 36.82 37.33 3g1t h ILE 58 CO -0.00 0.34 0.45 0.00 0.00 0.00 0.00 178.15 178.93 3g1t h ALA 59 N 0.91 0.90 -0.08 1.87 0.00 -0.78 0.70 119.26 122.78 3g1t h ALA 59 Ca 0.13 -0.03 0.02 0.00 0.00 0.00 0.00 54.91 55.03 3g1t h ALA 59 Cb 0.45 -0.24 -0.00 0.00 0.00 0.00 0.00 17.79 18.00 3g1t h ALA 59 CO 0.02 0.24 0.07 -0.44 0.00 0.00 0.00 179.25 179.14 3g1t h ASP 60 N 0.88 0.00 0.08 0.00 3.32 -0.10 0.19 116.42 120.80 3g1t h ASP 60 Ca 0.27 0.00 -0.37 0.00 0.02 0.00 0.00 57.03 56.95 3g1t h ASP 60 Cb -0.02 0.00 -0.05 0.00 0.22 0.00 0.00 39.33 39.48 3g1t h ASP 60 CO -0.09 0.00 -2.25 -0.62 -1.72 0.00 0.00 179.24 174.56 3g1t n GLU 61 N -4.30 0.69 -0.01 3.56 1.02 -0.42 -4.70 120.64 116.48 3g1t n GLU 61 Ca -0.01 0.18 0.10 0.00 -0.02 0.00 0.00 57.16 57.41 3g1t n GLU 61 Cb 0.18 -1.60 -0.15 0.00 -0.02 0.00 0.00 31.44 29.84 3g1t n GLU 61 CO 0.00 0.00 0.00 1.04 1.18 0.00 0.00 177.13 179.35 3g1t n GLN 62 N -3.25 0.61 -1.00 3.49 1.13 0.23 -5.01 117.38 113.58 3g1t n GLN 62 Ca -0.37 -0.18 0.00 0.00 -1.94 0.00 0.00 57.00 54.51 3g1t n GLN 62 Cb 1.03 -1.48 0.00 0.00 0.11 0.00 0.00 30.24 29.91 3g1t n GLN 62 CO 0.00 0.00 0.00 0.72 -1.44 0.00 0.00 177.06 176.34 3g1t n HIS 63 N -2.17 0.00 -4.10 1.08 8.25 0.67 -5.02 115.22 113.92 3g1t n HIS 63 Ca -0.03 0.00 -0.26 0.00 -0.26 0.00 0.00 57.72 57.17 3g1t n HIS 63 Cb 0.52 -0.23 -0.17 0.00 1.12 0.00 0.00 29.99 31.23 3g1t n HIS 63 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 3g1t s VAL 64 N -1.94 1.01 -0.17 1.59 1.01 -1.26 -5.04 120.40 115.59 3g1t s VAL 64 Ca 0.00 -0.32 -0.29 0.00 0.00 0.00 0.00 61.98 61.37 3g1t s VAL 64 Cb 0.00 -1.00 -0.01 0.00 0.00 0.00 0.00 36.38 35.37 3g1t s VAL 64 CO 0.00 0.35 1.20 -1.58 0.00 0.00 0.00 175.10 175.07 3g1t s GLN 65 N 1.38 4.25 0.55 2.72 0.74 -1.26 -4.31 119.66 123.73 3g1t s GLN 65 Ca -0.01 1.59 -0.21 0.00 0.05 0.00 0.00 55.36 56.77 3g1t s GLN 65 Cb -0.14 -3.72 -0.05 0.00 1.10 0.00 0.00 33.01 30.20 3g1t s GLN 65 CO -0.04 -0.67 1.22 -2.30 -0.55 0.00 0.00 175.29 172.95 3g1t n PRO 66 N 6.42 1.41 -2.86 1.67 -0.02 -1.26 -5.00 135.00 135.36 3g1t n PRO 66 Ca 0.13 0.52 -0.34 0.00 -2.02 0.00 0.00 63.50 61.79 3g1t n PRO 66 Cb 0.45 -2.41 -0.07 0.00 -0.02 0.00 0.00 33.50 31.45 3g1t n PRO 66 CO 0.00 0.00 0.00 -0.65 1.98 0.00 0.00 175.50 176.83 3g1t s GLN 67 N -2.80 4.31 0.17 -0.52 -0.21 -1.26 -4.94 119.66 114.43 3g1t s GLN 67 Ca 0.73 1.12 0.03 0.00 0.02 0.00 0.00 55.36 57.25 3g1t s GLN 67 Cb -0.43 -2.43 -0.05 0.00 1.00 0.00 0.00 33.01 31.10 3g1t s GLN 67 CO 0.49 0.10 -0.03 1.67 -2.12 0.00 0.00 175.29 175.41 3g1t s TRP 68 N -1.96 1.27 -0.01 0.91 -2.14 -1.26 -1.27 118.94 114.48 3g1t s TRP 68 Ca 0.57 -0.94 0.01 0.00 2.66 0.00 0.00 56.10 58.39 3g1t s TRP 68 Cb -0.12 -0.71 0.01 0.00 -3.10 0.00 0.00 33.47 29.54 3g1t s TRP 68 CO 0.17 -0.11 -0.01 -0.06 -2.66 0.00 0.00 176.95 174.28 3g1t s PHE 69 N -3.54 0.20 -0.13 1.66 0.08 -0.26 -4.93 117.98 111.05 3g1t s PHE 69 Ca 0.22 -0.02 -0.17 0.00 0.12 0.00 0.00 56.93 57.09 3g1t s PHE 69 Cb 0.05 -0.18 -0.04 0.00 -0.57 0.00 0.00 43.02 42.28 3g1t s PHE 69 CO 0.04 -0.03 0.43 0.95 -0.10 0.00 0.00 175.22 176.50 3g1t s THR 70 N 0.22 5.22 -0.11 0.64 -4.23 -1.26 -2.05 115.64 114.07 3g1t s THR 70 Ca -0.02 0.85 -0.05 0.00 -1.18 0.00 0.00 61.69 61.29 3g1t s THR 70 Cb -0.04 -3.77 0.05 0.00 1.34 0.00 0.00 72.50 70.08 3g1t s THR 70 CO -0.01 0.33 0.25 -0.22 -0.54 0.00 0.00 174.62 174.44 3g1t s LEU 71 N 0.64 0.25 -0.44 4.79 2.96 0.90 -4.93 118.68 122.85 3g1t s LEU 71 Ca 0.23 0.55 -0.15 0.00 -0.22 0.00 0.00 54.13 54.55 3g1t s LEU 71 Cb -0.15 0.74 0.05 0.00 0.50 0.00 0.00 46.19 47.34 3g1t s LEU 71 CO 0.09 -0.18 0.34 -0.62 -1.32 0.00 0.00 176.35 174.65 3g1t s ASP 72 N 1.51 6.07 0.41 3.68 3.68 -1.26 -3.94 116.67 126.82 3g1t s ASP 72 Ca -0.07 -1.15 0.17 0.00 2.13 0.00 0.00 52.55 53.63 3g1t s ASP 72 Cb -0.11 -2.15 0.89 0.00 -1.45 0.00 0.00 42.92 40.10 3g1t s ASP 72 CO -0.09 -0.55 1.87 -0.07 0.13 0.00 0.00 175.17 176.47 3g1t h LEU 73 N 8.66 0.00 -1.31 -1.34 3.38 -1.95 0.42 115.31 123.17 3g1t h LEU 73 Ca -0.27 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.69 3g1t h LEU 73 Cb 1.11 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.83 3g1t h LEU 73 CO 0.80 0.31 0.32 0.25 0.09 0.00 0.00 178.44 180.20 3g1t h LEU 74 N 0.00 0.70 -0.39 1.67 5.85 -1.92 -3.29 115.31 117.93 3g1t h LEU 74 Ca -0.00 -0.05 0.00 0.00 0.84 0.00 0.00 57.88 58.67 3g1t h LEU 74 Cb 0.61 -0.18 0.00 0.00 0.37 0.00 0.00 40.66 41.47 3g1t h LEU 74 CO 0.04 0.56 -0.09 0.35 -0.34 0.00 0.00 178.44 178.96 3g1t n THR 75 N -4.40 0.00 -2.21 1.05 -2.24 -0.90 -4.88 114.28 100.70 3g1t n THR 75 Ca 0.05 -0.45 -0.36 0.00 -2.27 0.00 0.00 64.05 61.02 3g1t n THR 75 Cb 0.10 1.02 0.00 0.00 -2.10 0.00 0.00 70.33 69.35 3g1t n THR 75 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3g1t s THR 77 N -1.65 5.25 0.24 0.00 -4.23 -1.26 -4.98 115.64 109.00 3g1t s THR 77 Ca 0.70 -0.87 -0.08 0.00 -1.18 0.00 0.00 61.69 60.27 3g1t s THR 77 Cb -0.27 -3.84 0.27 0.00 1.34 0.00 0.00 72.50 70.00 3g1t s THR 77 CO 0.31 -0.33 1.63 0.00 -0.54 0.00 0.00 174.62 175.70 3g1t h ALA 78 N 1.26 0.75 -0.86 3.99 0.00 -1.96 -1.87 119.26 120.57 3g1t h ALA 78 Ca -0.51 0.24 -0.01 0.00 0.00 0.00 0.00 54.91 54.63 3g1t h ALA 78 Cb 1.22 0.42 -0.04 0.00 0.00 0.00 0.00 17.79 19.39 3g1t h ALA 78 CO 0.62 -0.42 0.48 1.49 0.00 0.00 0.00 179.25 181.42 3g1t h GLU 79 N 0.09 1.19 -0.92 0.00 4.57 -1.99 -0.10 114.58 117.44 3g1t h GLU 79 Ca 0.40 -0.13 -0.01 0.00 -1.18 0.00 0.00 59.36 58.44 3g1t h GLU 79 Cb 0.70 -0.24 -0.04 0.00 -0.16 0.00 0.00 28.75 29.01 3g1t h GLU 79 CO -0.66 0.87 0.54 0.93 -1.18 0.00 0.00 179.01 179.51 3g1t h GLU 80 N 1.20 1.25 -0.52 1.92 5.08 -1.81 -0.33 114.58 121.37 3g1t h GLU 80 Ca 0.30 -0.12 -0.03 0.00 -1.00 0.00 0.00 59.36 58.51 3g1t h GLU 80 Cb 0.01 -0.26 -0.02 0.00 0.50 0.00 0.00 28.75 28.98 3g1t h GLU 80 CO -0.05 0.88 0.20 0.00 -1.00 0.00 0.00 179.01 179.04 3g1t h ARG 82 N 0.70 0.71 -0.86 0.00 2.47 -0.71 -2.45 114.38 114.25 3g1t h ARG 82 Ca 0.17 -0.09 -0.02 0.00 -1.26 0.00 0.00 59.98 58.78 3g1t h ARG 82 Cb 0.21 -0.14 -0.04 0.00 -1.65 0.00 0.00 29.97 28.35 3g1t h ARG 82 CO -0.01 0.56 0.45 1.96 0.56 0.00 0.00 179.97 183.49 3g1t h GLN 83 N 0.72 1.22 -0.41 0.04 4.20 -0.80 0.32 115.11 120.40 3g1t h GLN 83 Ca 0.18 -0.16 -0.02 0.00 0.06 0.00 0.00 58.65 58.71 3g1t h GLN 83 Cb 0.09 -0.23 -0.02 0.00 0.30 0.00 0.00 27.48 27.62 3g1t h GLN 83 CO -0.02 0.91 0.18 0.28 -0.67 0.00 0.00 178.83 179.51 3g1t h VAL 84 N 1.22 1.19 -0.71 -0.54 2.07 -1.11 0.44 116.25 118.81 3g1t h VAL 84 Ca 0.30 -0.55 -0.06 0.00 0.82 0.00 0.00 66.70 67.21 3g1t h VAL 84 Cb 0.06 0.79 -0.03 0.00 -1.52 0.00 0.00 31.29 30.59 3g1t h VAL 84 CO -0.04 0.20 0.20 0.00 0.02 0.00 0.00 177.57 177.95 3g1t h ALA 85 N 1.03 0.93 -0.68 1.67 0.00 -1.06 0.71 119.26 121.85 3g1t h ALA 85 Ca 0.14 -0.23 -0.03 0.00 0.00 0.00 0.00 54.91 54.79 3g1t h ALA 85 Cb 0.15 -0.27 -0.03 0.00 0.00 0.00 0.00 17.79 17.64 3g1t h ALA 85 CO -0.01 0.62 0.30 -0.44 0.00 0.00 0.00 179.25 179.72 3g1t h ASP 86 N 1.05 0.92 0.03 0.00 3.45 -0.78 0.66 116.42 121.75 3g1t h ASP 86 Ca 0.23 -0.15 -0.12 0.00 0.43 0.00 0.00 57.03 57.41 3g1t h ASP 86 Cb 0.33 -0.24 -0.01 0.00 -0.56 0.00 0.00 39.33 38.85 3g1t h ASP 86 CO -0.00 0.82 -0.39 0.03 -1.57 0.00 0.00 179.24 178.12 3g1t h ARG 87 N 0.96 0.47 -0.32 3.56 3.08 -0.31 -2.34 114.38 119.48 3g1t h ARG 87 Ca 0.23 -0.23 -0.08 0.00 0.07 0.00 0.00 59.98 59.97 3g1t h ARG 87 Cb 0.17 -0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.21 3g1t h ARG 87 CO -0.02 0.79 -0.13 0.82 -1.07 0.00 0.00 179.97 180.36 3g1t h ILE 88 N 0.39 1.29 0.00 2.04 2.04 -0.67 -3.13 117.51 119.47 3g1t h ILE 88 Ca 0.04 -1.21 -0.00 0.00 1.00 0.00 0.00 64.86 64.68 3g1t h ILE 88 Cb 0.86 1.41 -0.00 0.00 -0.74 0.00 0.00 36.82 38.35 3g1t h ILE 88 CO 0.07 0.39 -0.01 0.00 0.00 0.00 0.00 178.15 178.60 3g1t h ALA 89 N 0.78 1.36 0.00 1.87 0.00 -0.65 -0.24 119.26 122.38 3g1t h ALA 89 Ca 0.07 -0.01 -0.09 0.00 0.00 0.00 0.00 54.91 54.88 3g1t h ALA 89 Cb 0.64 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.42 3g1t h ALA 89 CO 0.04 0.02 -0.51 0.00 0.00 0.00 0.00 179.25 178.79 3g1t h ALA 90 N 1.99 0.72 0.00 0.00 0.00 -1.37 -3.33 119.26 117.27 3g1t h ALA 90 Ca -0.00 -0.40 0.00 0.00 0.00 0.00 0.00 54.91 54.51 3g1t h ALA 90 Cb 0.05 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.80 3g1t h ALA 90 CO 0.00 0.53 -1.71 0.72 0.00 0.00 0.00 179.25 178.79 3g1t n HIS 91 N -3.16 0.00 -3.97 0.00 -0.00 -0.69 -5.05 115.22 102.35 3g1t n HIS 91 Ca 0.01 0.00 -0.10 0.00 -0.00 0.00 0.00 57.72 57.64 3g1t n HIS 91 Cb 0.71 -0.36 -0.11 0.00 -0.00 0.00 0.00 29.99 30.22 3g1t n HIS 91 CO 0.00 0.00 0.00 0.71 -0.00 0.00 0.00 176.34 177.05 3g1t s TYR 92 N -3.13 0.24 -1.57 4.41 2.02 -0.18 -5.06 117.35 114.07 3g1t s TYR 92 Ca -0.05 -0.45 0.28 0.00 -0.37 0.00 0.00 57.07 56.48 3g1t s TYR 92 Cb 0.11 -0.17 1.17 0.00 -0.40 0.00 0.00 41.96 42.67 3g1t s TYR 92 CO 0.70 -0.16 1.83 -0.35 -1.57 0.00 0.00 175.55 176.00 3g1t n PRO 93 N 1.81 0.61 -3.56 -1.71 -0.04 -1.26 -4.39 135.00 126.46 3g1t n PRO 93 Ca -0.22 -0.21 -0.06 0.00 -0.04 0.00 0.00 63.50 62.96 3g1t n PRO 93 Cb 0.56 -1.50 -0.02 0.00 -0.04 0.00 0.00 33.50 32.50 3g1t n PRO 93 CO 0.00 0.00 0.00 -0.98 -0.04 0.00 0.00 175.50 174.48 3g1t s ARG 94 N -2.54 0.71 -0.14 0.54 1.70 -1.26 -4.87 118.95 113.08 3g1t s ARG 94 Ca 0.27 -0.28 -0.02 0.00 -0.47 0.00 0.00 55.73 55.23 3g1t s ARG 94 Cb 0.20 0.31 -0.02 0.00 -0.57 0.00 0.00 34.95 34.87 3g1t s ARG 94 CO 0.49 -0.31 -0.09 -0.51 -1.08 0.00 0.00 175.30 173.80 3g1t s LEU 95 N -2.47 2.92 0.32 -1.89 1.43 -0.49 -4.85 118.68 113.64 3g1t s LEU 95 Ca 0.07 -0.26 0.23 0.00 -1.03 0.00 0.00 54.13 53.14 3g1t s LEU 95 Cb -0.01 -1.68 0.22 0.00 0.03 0.00 0.00 46.19 44.75 3g1t s LEU 95 CO -0.07 0.16 1.37 0.44 0.23 0.00 0.00 176.35 178.48 3g1t h ASP 96 N 6.79 0.00 -4.96 2.29 3.32 -0.91 -3.36 116.42 119.59 3g1t h ASP 96 Ca -0.29 -0.01 -0.03 0.00 0.02 0.00 0.00 57.03 56.72 3g1t h ASP 96 Cb 1.20 0.00 -0.16 0.00 0.22 0.00 0.00 39.33 40.60 3g1t h ASP 96 CO 0.59 0.01 0.22 -0.83 -1.72 0.00 0.00 179.24 177.51 3g1t s GLY 97 N -4.21 -0.58 -0.06 2.75 0.00 -0.92 -1.67 107.32 102.62 3g1t s GLY 97 Ca 0.04 0.93 -0.02 0.00 0.00 0.00 0.00 44.72 45.66 3g1t s GLY 97 CO 0.72 0.55 0.06 0.14 0.00 0.00 0.00 173.10 174.57 3g1t s VAL 98 N -2.51 -0.10 -0.22 1.40 1.01 -0.53 -1.19 120.40 118.25 3g1t s VAL 98 Ca -0.04 0.34 -0.03 0.00 0.00 0.00 0.00 61.98 62.25 3g1t s VAL 98 Cb -0.01 -0.21 0.00 0.00 0.00 0.00 0.00 36.38 36.16 3g1t s VAL 98 CO -0.02 0.12 -0.07 -0.22 0.00 0.00 0.00 175.10 174.91 3g1t s LEU 99 N 2.16 2.87 -0.45 3.92 2.96 0.04 -0.58 118.68 129.59 3g1t s LEU 99 Ca 0.05 -0.53 -0.18 0.00 -0.22 0.00 0.00 54.13 53.24 3g1t s LEU 99 Cb -0.13 -1.69 0.03 0.00 0.50 0.00 0.00 46.19 44.91 3g1t s LEU 99 CO -0.04 -0.04 0.52 -1.00 -1.32 0.00 0.00 176.35 174.47 3g1t s HIS 100 N 1.42 3.12 -0.02 5.38 3.76 -0.24 -1.24 115.29 127.48 3g1t s HIS 100 Ca 0.05 -0.39 0.10 0.00 -0.15 0.00 0.00 55.06 54.66 3g1t s HIS 100 Cb -0.15 -3.16 -0.15 0.00 1.11 0.00 0.00 32.58 30.24 3g1t s HIS 100 CO -0.05 -0.82 0.20 0.09 -0.85 0.00 0.00 174.74 173.31 3g1t n ASN 101 N 5.84 2.77 -4.67 1.40 3.02 -1.24 -2.68 115.26 119.71 3g1t n ASN 101 Ca -0.06 0.00 -0.42 0.00 -0.03 0.00 0.00 54.58 54.07 3g1t n ASN 101 Cb 0.47 1.40 0.01 0.00 -0.61 0.00 0.00 39.78 41.04 3g1t n ASN 101 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3g1t n ALA 102 N -1.87 0.87 -3.57 5.41 0.00 -1.25 -4.79 120.51 115.31 3g1t n ALA 102 Ca -0.03 0.28 -0.08 0.00 0.00 0.00 0.00 53.44 53.61 3g1t n ALA 102 Cb 0.29 -2.19 -0.04 0.00 0.00 0.00 0.00 19.45 17.51 3g1t n ALA 102 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 3g1t s GLY 103 N -0.56 -0.28 -0.10 0.00 0.00 -1.26 -4.89 107.32 100.22 3g1t s GLY 103 Ca 0.61 1.81 0.01 0.00 0.00 0.00 0.00 44.72 47.15 3g1t s GLY 103 CO 0.58 0.81 -0.13 -2.27 0.00 0.00 0.00 173.10 172.09 3g1t s LEU 104 N -1.57 2.74 0.12 0.66 2.96 -1.26 -5.04 118.68 117.30 3g1t s LEU 104 Ca 0.02 -0.28 -0.07 0.00 -0.22 0.00 0.00 54.13 53.59 3g1t s LEU 104 Cb -0.01 -1.60 -0.11 0.00 0.50 0.00 0.00 46.19 44.97 3g1t s LEU 104 CO -0.03 0.23 1.29 0.25 -1.32 0.00 0.00 176.35 176.77 3g1t h LEU 105 N 6.25 0.66 0.00 -0.68 5.85 -1.98 -3.46 115.31 121.95 3g1t h LEU 105 Ca -0.33 -0.50 0.00 0.00 0.84 0.00 0.00 57.88 57.89 3g1t h LEU 105 Cb 1.19 -0.20 0.00 0.00 0.37 0.00 0.00 40.66 42.02 3g1t h LEU 105 CO 0.54 1.30 0.00 0.61 -0.34 0.00 0.00 178.44 180.55 3g1t n GLY 106 N 0.90 1.53 3.77 3.75 0.00 -1.26 -4.22 105.19 109.66 3g1t n GLY 106 Ca -0.07 -0.59 -0.37 0.00 0.00 0.00 0.00 46.02 44.98 3g1t n GLY 106 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3g1t s GLU 107 N 0.00 4.09 -0.25 1.61 2.12 -1.26 -5.06 118.70 119.96 3g1t s GLU 107 Ca 0.00 0.24 -0.10 0.00 0.36 0.00 0.00 54.97 55.46 3g1t s GLU 107 Cb 0.00 -3.34 -0.05 0.00 0.26 0.00 0.00 34.13 31.00 3g1t s GLU 107 CO 0.00 0.41 0.16 0.42 -0.54 0.00 0.00 175.26 175.71 3g1t s ILE 108 N -0.11 5.26 0.00 -3.70 -1.09 -1.26 -4.69 121.20 115.61 3g1t s ILE 108 Ca 0.20 0.15 0.00 0.00 -2.23 0.00 0.00 60.65 58.77 3g1t s ILE 108 Cb -0.14 -3.46 0.00 0.00 -1.58 0.00 0.00 42.46 37.27 3g1t s ILE 108 CO 0.08 0.33 0.00 0.61 -1.23 0.00 0.00 174.94 174.73 3g1t n GLY 109 N 4.46 0.05 3.81 6.18 0.00 -0.63 -5.05 105.19 114.00 3g1t n GLY 109 Ca -0.15 -1.21 -0.33 0.00 0.00 0.00 0.00 46.02 44.33 3g1t n GLY 109 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3g1t s PRO 110 N -2.00 3.77 0.51 1.61 0.04 -1.26 -4.08 135.00 133.58 3g1t s PRO 110 Ca 0.00 1.24 0.21 0.00 0.04 0.00 0.00 61.00 62.50 3g1t s PRO 110 Cb 0.00 -2.10 1.29 0.00 0.04 0.00 0.00 34.50 33.74 3g1t s PRO 110 CO 0.00 -0.44 2.01 0.52 0.04 0.00 0.00 177.00 179.12 3g1t h MET 111 N 1.28 0.10 0.00 4.56 2.86 -1.97 -0.64 114.93 121.11 3g1t h MET 111 Ca -0.49 -0.01 -0.00 0.00 -2.06 0.00 0.00 59.70 57.15 3g1t h MET 111 Cb 1.21 -0.02 -0.00 0.00 0.06 0.00 0.00 31.60 32.85 3g1t h MET 111 CO 0.59 0.06 -0.01 0.66 1.06 0.00 0.00 176.91 179.27 3g1t h SER 112 N 0.10 0.00 0.00 1.22 4.64 -2.05 -3.08 113.55 114.38 3g1t h SER 112 Ca 0.23 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.55 3g1t h SER 112 Cb 0.80 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.89 3g1t h SER 112 CO -0.02 0.01 -0.78 -0.62 -0.87 0.00 0.00 176.83 174.55 3g1t n GLU 113 N -3.71 2.66 -1.66 4.77 1.02 -0.34 -5.04 120.64 118.34 3g1t n GLU 113 Ca -0.03 -0.03 -0.48 0.00 -0.02 0.00 0.00 57.16 56.60 3g1t n GLU 113 Cb 0.10 -1.05 -0.05 0.00 -0.02 0.00 0.00 31.44 30.42 3g1t n GLU 113 CO 0.00 0.00 0.00 1.04 1.18 0.00 0.00 177.13 179.35 3g1t n GLN 114 N -1.43 1.91 -1.97 3.49 1.13 -0.64 -4.86 117.38 115.02 3g1t n GLN 114 Ca 0.01 0.69 -0.42 0.00 -1.94 0.00 0.00 57.00 55.34 3g1t n GLN 114 Cb 0.19 -2.46 -0.03 0.00 0.11 0.00 0.00 30.24 28.05 3g1t n GLN 114 CO 0.00 0.00 0.00 0.34 -1.44 0.00 0.00 177.06 175.96 3g1t s ASP 115 N 1.88 6.64 0.29 1.08 2.15 -1.26 -4.91 116.67 122.53 3g1t s ASP 115 Ca 0.85 2.45 -0.03 0.00 0.43 0.00 0.00 52.55 56.25 3g1t s ASP 115 Cb -0.76 -2.57 0.41 0.00 -0.30 0.00 0.00 42.92 39.70 3g1t s ASP 115 CO 0.45 -0.86 1.96 -0.65 -0.17 0.00 0.00 175.17 175.90 3g1t h PRO 116 N 8.12 1.13 -0.24 4.34 0.11 -1.99 -1.15 132.00 142.32 3g1t h PRO 116 Ca -0.42 -0.07 -0.06 0.00 0.11 0.00 0.00 66.00 65.56 3g1t h PRO 116 Cb 1.20 -0.25 -0.01 0.00 0.11 0.00 0.00 31.00 32.05 3g1t h PRO 116 CO 0.92 0.75 -0.07 0.37 -0.21 0.00 0.00 178.00 179.76 3g1t h GLN 117 N 1.16 0.47 -0.68 1.05 5.75 -1.99 -1.07 115.11 119.81 3g1t h GLN 117 Ca 0.31 -0.19 -0.02 0.00 -0.15 0.00 0.00 58.65 58.60 3g1t h GLN 117 Cb -0.13 -0.02 -0.03 0.00 1.07 0.00 0.00 27.48 28.36 3g1t h GLN 117 CO -0.07 0.71 0.33 0.82 -2.65 0.00 0.00 178.83 177.97 3g1t h ILE 118 N 0.21 1.22 -0.23 2.39 1.08 -1.90 -1.25 117.51 119.02 3g1t h ILE 118 Ca 0.06 -0.60 -0.00 0.00 -0.39 0.00 0.00 64.86 63.93 3g1t h ILE 118 Cb 0.55 0.34 -0.01 0.00 -3.07 0.00 0.00 36.82 34.63 3g1t h ILE 118 CO 0.03 0.25 0.14 -0.25 -0.69 0.00 0.00 178.15 177.63 3g1t h TRP 119 N 0.95 0.31 -0.98 1.37 2.91 -1.00 -0.21 115.95 119.30 3g1t h TRP 119 Ca 0.24 -0.00 0.00 0.00 1.13 0.00 0.00 58.89 60.26 3g1t h TRP 119 Cb 0.09 -0.10 -0.05 0.00 -0.51 0.00 0.00 29.16 28.59 3g1t h TRP 119 CO 0.01 0.24 0.63 0.37 -1.03 0.00 0.00 178.44 178.66 3g1t h GLN 120 N 0.29 1.31 -0.71 2.65 4.15 -0.90 -2.07 115.11 119.83 3g1t h GLN 120 Ca 0.08 -0.10 -0.04 0.00 0.77 0.00 0.00 58.65 59.37 3g1t h GLN 120 Cb 0.03 -0.29 -0.03 0.00 0.21 0.00 0.00 27.48 27.40 3g1t h GLN 120 CO -0.02 0.89 0.30 -0.44 -1.93 0.00 0.00 178.83 177.63 3g1t h ASP 121 N 1.34 0.97 -0.46 -0.69 3.32 -0.42 -0.09 116.42 120.39 3g1t h ASP 121 Ca 0.36 -0.16 -0.01 0.00 0.02 0.00 0.00 57.03 57.24 3g1t h ASP 121 Cb -0.12 -0.25 -0.02 0.00 0.22 0.00 0.00 39.33 39.16 3g1t h ASP 121 CO -0.07 0.87 0.25 0.58 -1.72 0.00 0.00 179.24 179.14 3g1t h VAL 122 N 1.01 1.16 -0.70 -1.35 2.07 -0.79 -0.82 116.25 116.84 3g1t h VAL 122 Ca 0.24 -0.42 -0.06 0.00 0.82 0.00 0.00 66.70 67.28 3g1t h VAL 122 Cb 0.19 0.61 -0.03 0.00 -1.52 0.00 0.00 31.29 30.54 3g1t h VAL 122 CO -0.02 0.17 0.20 0.24 0.02 0.00 0.00 177.57 178.18 3g1t h MET 123 N 0.60 1.10 -0.53 1.57 2.86 -0.97 0.02 114.93 119.58 3g1t h MET 123 Ca 0.16 -0.25 -0.07 0.00 -2.06 0.00 0.00 59.70 57.49 3g1t h MET 123 Cb 0.05 -0.15 -0.02 0.00 0.06 0.00 0.00 31.60 31.54 3g1t h MET 123 CO -0.03 0.96 0.08 0.37 1.06 0.00 0.00 176.91 179.35 3g1t h GLN 124 N 1.04 0.89 0.05 1.72 5.75 -0.57 0.07 115.11 124.05 3g1t h GLN 124 Ca 0.22 -0.24 -0.00 0.00 -0.15 0.00 0.00 58.65 58.48 3g1t h GLN 124 Cb 0.33 -0.10 0.00 0.00 1.07 0.00 0.00 27.48 28.78 3g1t h GLN 124 CO -0.00 0.87 -0.02 0.28 -2.65 0.00 0.00 178.83 177.30 3g1t h VAL 125 N 0.77 1.26 0.00 2.39 2.07 -1.03 0.20 116.25 121.90 3g1t h VAL 125 Ca 0.16 -1.64 -0.19 0.00 0.82 0.00 0.00 66.70 65.85 3g1t h VAL 125 Cb 0.42 2.24 -0.03 0.00 -1.52 0.00 0.00 31.29 32.41 3g1t h VAL 125 CO 0.01 0.38 -0.88 0.78 0.02 0.00 0.00 177.57 177.88 3g1t h ASN 126 N -0.87 0.00 0.00 0.57 4.21 -1.02 -3.17 115.58 115.30 3g1t h ASN 126 Ca -0.01 0.00 -0.01 0.00 1.21 0.00 0.00 56.30 57.50 3g1t h ASN 126 Cb 0.66 0.00 -0.00 0.00 -1.12 0.00 0.00 38.32 37.86 3g1t h ASN 126 CO 0.01 0.88 -0.44 0.52 -1.29 0.00 0.00 177.43 177.11 3g1t n VAL 127 N -3.39 1.32 -0.02 2.81 0.31 -0.10 -4.56 118.33 114.70 3g1t n VAL 127 Ca 0.00 0.29 -0.17 0.00 -0.01 0.00 0.00 64.34 64.44 3g1t n VAL 127 Cb 0.87 -1.88 -0.08 0.00 -0.91 0.00 0.00 33.84 31.84 3g1t n VAL 127 CO 0.00 0.00 0.00 0.78 -1.32 0.00 0.00 176.83 176.29 3g1t h ASN 128 N -0.40 0.83 0.50 4.52 2.35 -1.20 -0.21 115.58 121.97 3g1t h ASN 128 Ca -0.01 -0.65 -0.16 0.00 -0.55 0.00 0.00 56.30 54.93 3g1t h ASN 128 Cb 0.43 -0.25 -0.01 0.00 0.05 0.00 0.00 38.32 38.54 3g1t h ASN 128 CO -0.01 1.35 -0.69 0.00 -1.65 0.00 0.00 177.43 176.43 3g1t h ALA 129 N 0.50 0.78 -0.51 -0.83 0.00 -0.76 -0.67 119.26 117.77 3g1t h ALA 129 Ca -0.06 -0.61 -0.13 0.00 0.00 0.00 0.00 54.91 54.12 3g1t h ALA 129 Cb 1.35 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 19.04 3g1t h ALA 129 CO 0.15 0.81 -0.18 1.15 0.00 0.00 0.00 179.25 181.17 3g1t h THR 130 N 0.11 1.27 0.15 0.00 2.02 -1.51 -0.85 112.91 114.10 3g1t h THR 130 Ca -0.02 -1.35 -0.00 0.00 0.77 0.00 0.00 66.41 65.81 3g1t h THR 130 Cb 1.23 1.07 -0.01 0.00 -1.74 0.00 0.00 68.15 68.70 3g1t h THR 130 CO 0.10 0.47 -0.11 0.15 0.37 0.00 0.00 175.52 176.50 3g1t h PHE 131 N 0.89 -0.28 -0.22 3.16 3.57 -0.95 -1.34 116.94 121.76 3g1t h PHE 131 Ca 0.12 -0.00 0.04 0.00 3.53 0.00 0.00 57.97 61.66 3g1t h PHE 131 Cb 0.76 0.10 -0.04 0.00 2.79 0.00 0.00 35.95 39.57 3g1t h PHE 131 CO 0.05 -0.17 -0.02 0.52 -2.23 0.00 0.00 178.31 176.47 3g1t h MET 132 N -0.26 0.05 -0.45 1.11 2.86 -0.92 0.13 114.93 117.45 3g1t h MET 132 Ca -0.01 -0.00 0.05 0.00 -2.06 0.00 0.00 59.70 57.68 3g1t h MET 132 Cb 0.23 -0.01 -0.05 0.00 0.06 0.00 0.00 31.60 31.83 3g1t h MET 132 CO 0.00 0.03 0.19 1.25 1.06 0.00 0.00 176.91 179.44 3g1t h LEU 133 N 0.05 0.23 -0.32 1.22 5.85 -1.19 -2.27 115.31 118.88 3g1t h LEU 133 Ca 0.11 0.04 0.05 0.00 0.84 0.00 0.00 57.88 58.92 3g1t h LEU 133 Cb 0.14 0.01 -0.05 0.00 0.37 0.00 0.00 40.66 41.13 3g1t h LEU 133 CO -0.19 0.17 0.03 0.74 -0.34 0.00 0.00 178.44 178.85 3g1t h THR 134 N 0.38 0.80 -0.96 1.05 2.02 -0.72 -2.53 112.91 112.96 3g1t h THR 134 Ca 0.21 -0.05 -0.00 0.00 0.77 0.00 0.00 66.41 67.34 3g1t h THR 134 Cb 0.17 0.66 -0.05 0.00 -1.74 0.00 0.00 68.15 67.19 3g1t h THR 134 CO -0.19 0.02 0.59 -0.61 0.37 0.00 0.00 175.52 175.71 3g1t h GLN 135 N 0.14 1.29 0.00 6.66 4.15 -0.82 -1.83 115.11 124.69 3g1t h GLN 135 Ca 0.15 -0.11 -0.05 0.00 0.77 0.00 0.00 58.65 59.42 3g1t h GLN 135 Cb 0.19 -0.27 -0.01 0.00 0.21 0.00 0.00 27.48 27.60 3g1t h GLN 135 CO -0.23 0.89 -0.23 0.00 -1.93 0.00 0.00 178.83 177.33 3g1t h ALA 136 N 1.32 1.27 -0.01 3.38 0.00 -1.01 -3.06 119.26 121.16 3g1t h ALA 136 Ca 0.34 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 55.04 3g1t h ALA 136 Cb -0.08 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.67 3g1t h ALA 136 CO -0.07 0.29 -0.27 1.28 0.00 0.00 0.00 179.25 180.48 3g1t n LEU 137 N -3.76 1.67 -0.30 0.00 4.77 -0.75 -4.57 117.00 114.06 3g1t n LEU 137 Ca -0.01 -0.55 -0.05 0.00 -0.03 0.00 0.00 56.01 55.36 3g1t n LEU 137 Cb 0.34 -0.05 0.07 0.00 -2.33 0.00 0.00 43.42 41.45 3g1t n LEU 137 CO 0.34 0.30 1.09 -0.07 -1.33 0.00 0.00 177.39 177.72 3g1t h LEU 138 N 2.20 1.07 -1.15 2.23 3.38 -1.27 -1.36 115.31 120.42 3g1t h LEU 138 Ca 0.00 -0.14 0.01 0.00 0.09 0.00 0.00 57.88 57.84 3g1t h LEU 138 Cb 0.65 -0.28 -0.04 0.00 0.09 0.00 0.00 40.66 41.08 3g1t h LEU 138 CO 0.00 0.92 0.58 -0.65 0.09 0.00 0.00 178.44 179.37 3g1t h PRO 139 N 1.16 1.14 -0.12 1.13 0.11 -1.80 -0.37 132.00 133.23 3g1t h PRO 139 Ca 0.28 -0.07 -0.13 0.00 0.11 0.00 0.00 66.00 66.19 3g1t h PRO 139 Cb 0.14 -0.26 -0.01 0.00 0.11 0.00 0.00 31.00 30.98 3g1t h PRO 139 CO -0.03 0.75 -0.50 -0.07 -0.21 0.00 0.00 178.00 177.94 3g1t h LEU 140 N 1.17 0.36 -0.86 2.35 3.38 -1.78 -2.41 115.31 117.52 3g1t h LEU 140 Ca 0.32 -0.18 -0.10 0.00 0.09 0.00 0.00 57.88 58.01 3g1t h LEU 140 Cb -0.12 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 40.51 3g1t h LEU 140 CO -0.07 0.80 -0.25 -0.07 0.09 0.00 0.00 178.44 178.94 3g1t h LEU 141 N 0.26 0.56 -0.88 1.67 3.38 -0.65 -1.22 115.31 118.44 3g1t h LEU 141 Ca 0.01 -0.20 0.00 0.00 0.09 0.00 0.00 57.88 57.78 3g1t h LEU 141 Cb 0.98 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 41.57 3g1t h LEU 141 CO 0.08 0.81 0.00 -0.07 0.09 0.00 0.00 178.44 179.35 3g1t h LEU 142 N 0.49 0.00 -0.62 1.67 3.38 -0.58 -2.44 115.31 117.22 3g1t h LEU 142 Ca 0.07 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.04 3g1t h LEU 142 Cb 0.70 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.45 3g1t h LEU 142 CO 0.05 0.00 0.00 0.11 0.09 0.00 0.00 178.44 178.69 3g1t h LYS 143 N 0.00 0.00 -7.09 1.13 1.79 -1.25 -3.46 116.57 107.69 3g1t h LYS 143 Ca 0.00 0.00 -0.51 0.00 -2.18 0.00 0.00 60.65 57.96 3g1t h LYS 143 Cb 0.46 0.00 0.08 0.00 -1.58 0.00 0.00 32.23 31.19 3g1t h LYS 143 CO 0.00 0.00 0.44 0.45 -1.08 0.00 0.00 179.45 179.26 3g1t s SER 144 N -4.76 5.55 0.43 0.86 0.15 -0.92 -4.93 113.70 110.09 3g1t s SER 144 Ca 0.05 2.24 0.29 0.00 0.70 0.00 0.00 55.95 59.23 3g1t s SER 144 Cb 0.10 -2.59 1.05 0.00 -1.71 0.00 0.00 66.02 62.87 3g1t s SER 144 CO 0.49 -1.34 1.83 -2.24 1.20 0.00 0.00 173.24 173.19 3g1t h ASP 145 N 1.08 0.00 -0.46 5.45 2.03 -1.89 -3.38 116.42 119.26 3g1t h ASP 145 Ca -0.50 0.00 -0.15 0.00 -0.73 0.00 0.00 57.03 55.65 3g1t h ASP 145 Cb 1.27 0.00 -0.15 0.00 -0.83 0.00 0.00 39.33 39.62 3g1t h ASP 145 CO 0.56 0.00 -0.40 0.00 -1.03 0.00 0.00 179.24 178.37 3g1t n ALA 146 N -1.98 -2.12 -1.77 4.15 0.00 -1.26 -4.92 120.51 112.61 3g1t n ALA 146 Ca 0.02 -0.95 -0.34 0.00 0.00 0.00 0.00 53.44 52.17 3g1t n ALA 146 Cb 0.34 -1.83 -0.01 0.00 0.00 0.00 0.00 19.45 17.94 3g1t n ALA 146 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 3g1t s GLY 147 N -0.12 2.50 -0.05 0.00 0.00 -0.53 -4.91 107.32 104.21 3g1t s GLY 147 Ca 0.30 0.66 -0.02 0.00 0.00 0.00 0.00 44.72 45.66 3g1t s GLY 147 CO -0.13 0.99 0.03 -0.45 0.00 0.00 0.00 173.10 173.54 3g1t s SER 148 N -2.01 1.31 -0.16 1.64 0.15 -0.67 -1.54 113.70 112.41 3g1t s SER 148 Ca 0.69 0.01 -0.01 0.00 0.70 0.00 0.00 55.95 57.34 3g1t s SER 148 Cb -0.19 -0.27 -0.01 0.00 -1.71 0.00 0.00 66.02 63.84 3g1t s SER 148 CO 0.25 -0.22 -0.12 -0.22 1.20 0.00 0.00 173.24 174.13 3g1t s LEU 149 N 2.06 2.68 -0.07 3.45 2.96 -0.41 -1.45 118.68 127.89 3g1t s LEU 149 Ca 0.05 -0.40 0.03 0.00 -0.22 0.00 0.00 54.13 53.59 3g1t s LEU 149 Cb -0.12 -1.63 0.01 0.00 0.50 0.00 0.00 46.19 44.95 3g1t s LEU 149 CO -0.04 0.09 -0.16 -0.69 -1.32 0.00 0.00 176.35 174.23 3g1t s VAL 150 N 0.82 1.39 0.19 1.68 1.01 0.25 -1.31 120.40 124.43 3g1t s VAL 150 Ca -0.04 -0.64 0.06 0.00 0.00 0.00 0.00 61.98 61.35 3g1t s VAL 150 Cb -0.15 -1.23 -0.04 0.00 0.00 0.00 0.00 36.38 34.96 3g1t s VAL 150 CO 0.01 0.41 0.13 -0.36 0.00 0.00 0.00 175.10 175.29 3g1t s PHE 151 N 0.45 3.09 -0.24 5.22 0.08 -0.55 -1.08 117.98 124.94 3g1t s PHE 151 Ca -0.13 -0.06 -0.14 0.00 0.12 0.00 0.00 56.93 56.72 3g1t s PHE 151 Cb -0.15 -1.46 -0.04 0.00 -0.57 0.00 0.00 43.02 40.80 3g1t s PHE 151 CO 0.04 0.52 0.34 0.99 -0.10 0.00 0.00 175.22 177.02 3g1t s THR 152 N -1.87 5.21 0.00 0.64 2.01 -1.09 -0.67 115.64 119.87 3g1t s THR 152 Ca 0.31 0.54 0.00 0.00 0.31 0.00 0.00 61.69 62.85 3g1t s THR 152 Cb -0.09 -3.67 0.00 0.00 0.01 0.00 0.00 72.50 68.75 3g1t s THR 152 CO 0.23 0.22 0.00 -0.24 -0.69 0.00 0.00 174.62 174.14 3g1t n SER 153 N 4.90 1.05 -3.52 3.53 2.88 0.73 -4.92 113.62 118.27 3g1t n SER 153 Ca -0.10 -0.40 -0.13 0.00 -1.33 0.00 0.00 58.87 56.92 3g1t n SER 153 Cb 0.51 0.00 -0.04 0.00 -0.75 0.00 0.00 64.21 63.93 3g1t n SER 153 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 3g1t s SER 154 N -0.37 -0.46 0.53 -3.46 0.15 -1.26 -4.42 113.70 104.41 3g1t s SER 154 Ca 0.00 0.02 0.21 0.00 0.70 0.00 0.00 55.95 56.88 3g1t s SER 154 Cb 0.00 0.54 1.36 0.00 -1.71 0.00 0.00 66.02 66.21 3g1t s SER 154 CO 0.00 -0.85 2.09 0.77 1.20 0.00 0.00 173.24 176.46 3g1t h SER 155 N 2.38 0.00 0.00 5.45 4.64 -1.94 -0.89 113.55 123.19 3g1t h SER 155 Ca -0.33 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.99 3g1t h SER 155 Cb 1.26 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.35 3g1t h SER 155 CO 0.41 0.00 0.00 1.33 -0.87 0.00 0.00 176.83 177.70 3g1t n VAL 156 N -4.40 0.00 1.51 0.95 0.24 -1.26 -2.16 118.33 113.21 3g1t n VAL 156 Ca 0.02 0.00 0.14 0.00 -2.04 0.00 0.00 64.34 62.46 3g1t n VAL 156 Cb 0.30 -0.47 0.60 0.00 -1.47 0.00 0.00 33.84 32.79 3g1t n VAL 156 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3g1t n GLY 157 N 0.94 -0.58 0.01 7.63 0.00 -0.34 -4.09 105.19 108.76 3g1t n GLY 157 Ca 0.22 -0.34 -0.01 0.00 0.00 0.00 0.00 46.02 45.89 3g1t n GLY 157 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3g1t n ARG 158 N -0.54 1.99 -3.59 1.61 3.00 -0.93 -3.96 116.66 114.25 3g1t n ARG 158 Ca 0.17 0.00 -0.18 0.00 -0.01 0.00 0.00 57.85 57.84 3g1t n ARG 158 Cb 0.29 -1.04 -0.14 0.00 0.00 0.00 0.00 32.46 31.57 3g1t n ARG 158 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 177.63 176.49 3g1t s GLN 159 N -2.04 0.12 0.51 5.56 2.00 -0.92 -5.14 119.66 119.76 3g1t s GLN 159 Ca -0.02 0.39 -0.22 0.00 -2.00 0.00 0.00 55.36 53.51 3g1t s GLN 159 Cb 0.01 -0.76 -0.06 0.00 0.80 0.00 0.00 33.01 32.99 3g1t s GLN 159 CO 0.05 -0.48 1.22 0.20 -0.50 0.00 0.00 175.29 175.78 3g1t s GLY 160 N 2.32 2.79 0.02 2.59 0.00 -1.26 -4.23 107.32 109.55 3g1t s GLY 160 Ca 0.04 1.05 0.01 0.00 0.00 0.00 0.00 44.72 45.82 3g1t s GLY 160 CO -0.09 1.51 -0.03 0.50 0.00 0.00 0.00 173.10 174.98 3g1t s ARG 161 N -2.89 0.29 0.18 2.90 0.52 -1.26 -5.08 118.95 113.60 3g1t s ARG 161 Ca 0.69 -0.43 -0.30 0.00 -0.52 0.00 0.00 55.73 55.16 3g1t s ARG 161 Cb -0.32 -0.06 -0.17 0.00 0.52 0.00 0.00 34.95 34.92 3g1t s ARG 161 CO 0.38 0.00 0.70 0.00 0.02 0.00 0.00 175.30 176.40 3g1t n ALA 162 N 2.11 -2.54 -0.87 2.13 0.00 -1.26 -2.06 120.51 118.02 3g1t n ALA 162 Ca -0.19 0.46 0.00 0.00 0.00 0.00 0.00 53.44 53.71 3g1t n ALA 162 Cb 0.57 -1.71 0.00 0.00 0.00 0.00 0.00 19.45 18.31 3g1t n ALA 162 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 3g1t n ASN 163 N 1.84 -0.29 -0.27 0.00 3.02 -1.26 -4.88 115.26 113.41 3g1t n ASN 163 Ca 0.17 0.00 0.13 0.00 -0.03 0.00 0.00 54.58 54.85 3g1t n ASN 163 Cb 0.23 -0.73 0.33 0.00 -0.61 0.00 0.00 39.78 39.01 3g1t n ASN 163 CO 0.00 0.00 0.00 0.79 -2.62 0.00 0.00 177.26 175.43 3g1t n TRP 164 N -2.06 0.00 0.00 3.10 7.02 -0.87 -1.61 117.44 123.02 3g1t n TRP 164 Ca 0.00 0.00 0.00 0.00 -1.02 0.00 0.00 57.50 56.48 3g1t n TRP 164 Cb 0.01 -0.11 0.00 0.00 -2.42 0.00 0.00 31.31 28.79 3g1t n TRP 164 CO 0.00 0.00 0.00 0.41 -2.02 0.00 0.00 177.69 176.08 3g1t n GLY 165 N 1.35 1.87 0.37 6.99 0.00 -1.26 -1.34 105.19 113.17 3g1t n GLY 165 Ca 0.12 0.14 -0.03 0.00 0.00 0.00 0.00 46.02 46.25 3g1t n GLY 165 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3g1t h ALA 166 N 0.00 1.23 0.37 4.61 0.00 -1.90 -2.35 119.26 121.23 3g1t h ALA 166 Ca 0.00 -0.08 -0.00 0.00 0.00 0.00 0.00 54.91 54.82 3g1t h ALA 166 Cb 0.00 -0.39 -0.02 0.00 0.00 0.00 0.00 17.79 17.37 3g1t h ALA 166 CO 0.00 0.65 -0.39 -0.92 0.00 0.00 0.00 179.25 178.59 3g1t h TYR 167 N 1.32 -1.07 -0.31 0.00 3.20 -1.57 0.58 116.97 119.13 3g1t h TYR 167 Ca 0.35 0.01 0.05 0.00 3.14 0.00 0.00 58.73 62.28 3g1t h TYR 167 Cb -0.11 0.42 -0.04 0.00 1.54 0.00 0.00 36.73 38.53 3g1t h TYR 167 CO 0.00 -0.54 0.04 0.00 -1.64 0.00 0.00 178.16 176.02 3g1t h ALA 168 N -0.39 0.31 -0.41 1.82 0.00 -1.06 0.23 119.26 119.75 3g1t h ALA 168 Ca -0.03 0.07 0.08 0.00 0.00 0.00 0.00 54.91 55.04 3g1t h ALA 168 Cb 0.71 0.11 -0.08 0.00 0.00 0.00 0.00 17.79 18.53 3g1t h ALA 168 CO -0.08 -0.37 -0.11 1.15 0.00 0.00 0.00 179.25 179.84 3g1t h THR 169 N 0.14 0.58 0.00 0.00 2.02 -1.30 0.34 112.91 114.69 3g1t h THR 169 Ca 0.15 0.00 -0.09 0.00 0.77 0.00 0.00 66.41 67.24 3g1t h THR 169 Cb 0.18 0.58 -0.01 0.00 -1.74 0.00 0.00 68.15 67.16 3g1t h THR 169 CO -0.22 0.00 -0.41 0.77 0.37 0.00 0.00 175.52 176.03 3g1t h SER 170 N -0.00 0.00 0.65 4.18 4.64 -0.24 -1.30 113.55 121.48 3g1t h SER 170 Ca 0.20 0.00 -0.25 0.00 -0.47 0.00 0.00 61.79 61.27 3g1t h SER 170 Cb 0.30 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.39 3g1t h SER 170 CO -0.43 0.41 -1.11 0.11 -0.87 0.00 0.00 176.83 174.94 3g1t h LYS 171 N 0.00 0.23 -0.52 4.77 1.79 -0.31 -0.67 116.57 121.86 3g1t h LYS 171 Ca -0.00 -0.35 0.03 0.00 -2.18 0.00 0.00 60.65 58.15 3g1t h LYS 171 Cb 0.78 0.12 -0.04 0.00 -1.58 0.00 0.00 32.23 31.52 3g1t h LYS 171 CO 0.05 1.13 0.29 0.74 -1.08 0.00 0.00 179.45 180.59 3g1t h PHE 172 N 0.08 0.54 -0.58 -1.35 -1.00 -0.83 -1.30 116.94 112.50 3g1t h PHE 172 Ca -0.09 0.02 -0.02 0.00 2.81 0.00 0.00 57.97 60.68 3g1t h PHE 172 Cb 1.82 -0.17 -0.03 0.00 3.61 0.00 0.00 35.95 41.19 3g1t h PHE 172 CO 0.05 0.29 0.28 0.00 -1.61 0.00 0.00 178.31 177.32 3g1t h ALA 173 N 1.25 1.40 -0.47 2.45 0.00 -1.13 -1.73 119.26 121.04 3g1t h ALA 173 Ca 0.22 -0.12 -0.06 0.00 0.00 0.00 0.00 54.91 54.95 3g1t h ALA 173 Cb 0.06 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.60 3g1t h ALA 173 CO -0.12 0.47 0.07 1.15 0.00 0.00 0.00 179.25 180.82 3g1t h THR 174 N 0.81 1.25 -0.33 0.00 2.02 -0.70 -0.33 112.91 115.63 3g1t h THR 174 Ca 0.20 -0.93 0.03 0.00 0.77 0.00 0.00 66.41 66.48 3g1t h THR 174 Cb 0.09 0.94 -0.03 0.00 -1.74 0.00 0.00 68.15 67.41 3g1t h THR 174 CO -0.03 0.33 0.14 -0.33 0.37 0.00 0.00 175.52 175.99 3g1t h GLU 175 N 0.65 0.28 -0.34 6.66 4.39 -0.63 0.30 114.58 125.88 3g1t h GLU 175 Ca 0.14 -0.02 0.06 0.00 0.34 0.00 0.00 59.36 59.88 3g1t h GLU 175 Cb 0.40 -0.06 -0.05 0.00 -0.10 0.00 0.00 28.75 28.94 3g1t h GLU 175 CO 0.01 0.19 0.03 0.78 -1.16 0.00 0.00 179.01 178.85 3g1t h GLY 176 N 0.29 0.36 1.26 -3.84 0.00 -1.22 -0.26 103.07 99.66 3g1t h GLY 176 Ca 0.14 0.02 -0.14 0.00 0.00 0.00 0.00 47.33 47.34 3g1t h GLY 176 CO -0.13 -0.06 -0.36 1.98 0.00 0.00 0.00 176.54 177.98 3g1t h MET 177 N 0.13 0.82 -0.68 4.80 1.85 -0.87 -0.18 114.93 120.81 3g1t h MET 177 Ca 0.17 -0.41 0.01 0.00 -0.61 0.00 0.00 59.70 58.86 3g1t h MET 177 Cb 0.21 0.00 -0.04 0.00 0.43 0.00 0.00 31.60 32.21 3g1t h MET 177 CO -0.25 1.04 0.44 1.98 -0.40 0.00 0.00 176.91 179.73 3g1t h MET 178 N 0.68 0.87 -0.52 0.39 -1.53 -0.77 -1.94 114.93 112.12 3g1t h MET 178 Ca 0.06 -0.05 -0.08 0.00 -3.44 0.00 0.00 59.70 56.20 3g1t h MET 178 Cb 0.91 -0.20 -0.02 0.00 -0.55 0.00 0.00 31.60 31.75 3g1t h MET 178 CO 0.08 0.58 0.01 1.96 0.14 0.00 0.00 176.91 179.68 3g1t h GLN 179 N 0.90 0.86 0.27 0.39 4.20 -0.38 0.10 115.11 121.45 3g1t h GLN 179 Ca 0.26 -0.24 -0.01 0.00 0.06 0.00 0.00 58.65 58.72 3g1t h GLN 179 Cb -0.07 -0.10 0.00 0.00 0.30 0.00 0.00 27.48 27.61 3g1t h GLN 179 CO -0.07 0.85 -0.13 0.28 -0.67 0.00 0.00 178.83 179.09 3g1t h VAL 180 N 0.80 0.75 -0.59 -0.54 2.07 -0.86 -0.77 116.25 117.11 3g1t h VAL 180 Ca 0.15 -0.12 0.02 0.00 0.82 0.00 0.00 66.70 67.58 3g1t h VAL 180 Cb 0.46 0.82 -0.04 0.00 -1.52 0.00 0.00 31.29 31.02 3g1t h VAL 180 CO 0.02 0.03 0.37 -0.07 0.02 0.00 0.00 177.57 177.93 3g1t h LEU 181 N -0.42 0.61 -0.36 2.57 3.38 -1.07 -0.87 115.31 119.15 3g1t h LEU 181 Ca -0.04 -0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.91 3g1t h LEU 181 Cb 0.32 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 40.92 3g1t h LEU 181 CO 0.06 0.43 0.15 0.00 0.09 0.00 0.00 178.44 179.17 3g1t h ALA 182 N 1.24 0.46 -0.72 1.53 0.00 -0.67 -1.82 119.26 119.29 3g1t h ALA 182 Ca 0.23 -0.13 -0.00 0.00 0.00 0.00 0.00 54.91 55.01 3g1t h ALA 182 Cb -0.02 -0.14 -0.04 0.00 0.00 0.00 0.00 17.79 17.60 3g1t h ALA 182 CO -0.08 0.05 0.44 0.22 0.00 0.00 0.00 179.25 179.89 3g1t h ASP 183 N 0.43 0.85 0.85 0.00 3.58 -0.80 -1.60 116.42 119.72 3g1t h ASP 183 Ca 0.12 -0.04 -0.03 0.00 0.42 0.00 0.00 57.03 57.50 3g1t h ASP 183 Cb 0.17 -0.21 -0.00 0.00 1.72 0.00 0.00 39.33 41.00 3g1t h ASP 183 CO -0.01 0.64 -0.16 -0.33 -2.88 0.00 0.00 179.24 176.50 3g1t h GLU 184 N 0.98 0.00 -0.15 0.28 5.08 -0.39 -3.04 114.58 117.35 3g1t h GLU 184 Ca 0.26 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.62 3g1t h GLU 184 Cb -0.06 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.19 3g1t h GLU 184 CO -0.05 0.16 0.00 0.66 -1.00 0.00 0.00 179.01 178.78 3g1t n TYR 185 N -3.36 0.19 -0.34 4.33 4.01 -0.76 -4.84 117.16 116.39 3g1t n TYR 185 Ca -0.00 -0.19 0.05 0.00 -0.16 0.00 0.00 57.90 57.59 3g1t n TYR 185 Cb 0.37 -0.01 0.20 0.00 -0.31 0.00 0.00 39.34 39.59 3g1t n TYR 185 CO 0.00 0.00 0.00 0.37 -0.46 0.00 0.00 176.86 176.77 3g1t h GLN 186 N 2.22 0.93 -0.64 -0.72 -0.00 -1.18 0.62 115.11 116.35 3g1t h GLN 186 Ca 0.00 -0.06 0.00 0.00 -0.00 0.00 0.00 58.65 58.59 3g1t h GLN 186 Cb 0.58 -0.21 0.00 0.00 0.00 0.00 0.00 27.48 27.85 3g1t h GLN 186 CO 0.00 0.62 0.00 0.27 0.00 0.00 0.00 178.83 179.72 3g1t n ASN 187 N -4.64 4.67 -2.22 -0.69 6.94 -1.26 -4.93 115.26 113.12 3g1t n ASN 187 Ca 0.16 -2.52 -0.02 0.00 -0.02 0.00 0.00 54.58 52.18 3g1t n ASN 187 Cb 0.29 -0.59 -0.00 0.00 -2.36 0.00 0.00 39.78 37.12 3g1t n ASN 187 CO 0.00 0.00 0.00 0.54 -1.03 0.00 0.00 177.26 176.77 3g1t n ARG 188 N 0.92 1.63 0.00 -3.83 1.74 0.21 -5.04 116.66 112.29 3g1t n ARG 188 Ca 0.24 -0.29 0.14 0.00 -0.77 0.00 0.00 57.85 57.18 3g1t n ARG 188 Cb 0.91 0.05 0.60 0.00 -1.02 0.00 0.00 32.46 33.00 3g1t n ARG 188 CO 0.00 0.00 0.00 -1.13 -1.52 0.00 0.00 177.63 174.98 3g1t n SER 189 N -1.59 0.46 -4.51 0.55 3.41 -1.26 -4.76 113.62 105.93 3g1t n SER 189 Ca -0.01 -0.55 -0.36 0.00 -0.26 0.00 0.00 58.87 57.69 3g1t n SER 189 Cb 0.05 -0.08 -0.12 0.00 -0.26 0.00 0.00 64.21 63.81 3g1t n SER 189 CO 0.00 0.00 0.00 -0.22 -0.16 0.00 0.00 175.04 174.66 3g1t s LEU 190 N -2.49 3.63 0.10 1.04 2.96 -1.26 -1.46 118.68 121.20 3g1t s LEU 190 Ca 0.28 -0.11 0.03 0.00 -0.22 0.00 0.00 54.13 54.11 3g1t s LEU 190 Cb 0.20 -1.97 -0.04 0.00 0.50 0.00 0.00 46.19 44.88 3g1t s LEU 190 CO 0.48 -0.00 0.12 0.00 -1.32 0.00 0.00 176.35 175.62 3g1t s ARG 191 N 1.44 2.97 -0.02 1.98 1.70 -0.59 -4.62 118.95 121.80 3g1t s ARG 191 Ca 0.06 -0.71 0.00 0.00 -0.47 0.00 0.00 55.73 54.61 3g1t s ARG 191 Cb -0.15 -2.75 0.03 0.00 -0.57 0.00 0.00 34.95 31.51 3g1t s ARG 191 CO 0.05 0.55 0.02 0.08 -1.08 0.00 0.00 175.30 174.92 3g1t s VAL 192 N -1.51 0.00 0.20 4.99 1.01 -1.26 -1.29 120.40 122.53 3g1t s VAL 192 Ca 0.30 0.18 -0.16 0.00 0.00 0.00 0.00 61.98 62.30 3g1t s VAL 192 Cb -0.12 -0.13 0.02 0.00 0.00 0.00 0.00 36.38 36.16 3g1t s VAL 192 CO 0.23 0.10 0.50 0.20 0.00 0.00 0.00 175.10 176.14 3g1t s ASN 193 N 1.06 -0.22 0.15 3.32 0.01 -0.43 -0.76 114.94 118.07 3g1t s ASN 193 Ca -0.09 -0.55 0.06 0.00 -0.71 0.00 0.00 52.86 51.57 3g1t s ASN 193 Cb -0.13 0.57 -0.04 0.00 0.41 0.00 0.00 41.25 42.06 3g1t s ASN 193 CO -0.03 -1.05 0.02 0.00 -1.51 0.00 0.00 177.10 174.53 3g1t s ILE 195 N -1.60 2.11 -0.45 0.00 1.01 0.15 -0.95 121.20 121.47 3g1t s ILE 195 Ca 0.27 -1.00 -0.15 0.00 0.00 0.00 0.00 60.65 59.77 3g1t s ILE 195 Cb -0.10 -1.81 0.05 0.00 0.01 0.00 0.00 42.46 40.62 3g1t s ILE 195 CO 0.19 0.56 0.37 0.21 0.00 0.00 0.00 174.94 176.26 3g1t s ASN 196 N 0.37 6.14 0.55 3.58 2.47 0.31 -0.19 114.94 128.16 3g1t s ASN 196 Ca -0.18 -1.17 0.36 0.00 0.42 0.00 0.00 52.86 52.29 3g1t s ASN 196 Cb -0.18 -2.18 1.70 0.00 -1.45 0.00 0.00 41.25 39.15 3g1t s ASN 196 CO 0.08 -0.58 2.08 1.55 -3.72 0.00 0.00 177.10 176.51 3g1t h PRO 197 N 8.71 0.00 -0.96 0.43 0.13 -1.86 -1.84 132.00 136.61 3g1t h PRO 197 Ca -0.28 0.00 0.12 0.00 -0.87 0.00 0.00 66.00 64.97 3g1t h PRO 197 Cb 1.11 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.21 3g1t h PRO 197 CO 0.83 0.00 -0.17 0.41 -0.23 0.00 0.00 178.00 178.84 3g1t n GLY 198 N -0.46 -1.54 3.62 1.56 0.00 -1.26 -4.33 105.19 102.77 3g1t n GLY 198 Ca -0.01 -1.42 -0.43 0.00 0.00 0.00 0.00 46.02 44.16 3g1t n GLY 198 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3g1t s GLY 199 N -3.78 0.81 0.10 -0.02 0.00 -1.26 -4.95 107.32 98.22 3g1t s GLY 199 Ca 0.00 0.85 0.04 0.00 0.00 0.00 0.00 44.72 45.62 3g1t s GLY 199 CO 0.00 3.63 -0.11 -1.59 0.00 0.00 0.00 173.10 175.03 3g1t s THR 200 N 7.06 1.06 -0.97 0.90 2.01 -1.26 -4.31 115.64 120.12 3g1t s THR 200 Ca 0.94 -1.64 -0.24 0.00 0.31 0.00 0.00 61.69 61.06 3g1t s THR 200 Cb -0.34 -1.39 -0.01 0.00 0.01 0.00 0.00 72.50 70.77 3g1t s THR 200 CO 0.36 -0.50 1.74 -0.60 -0.69 0.00 0.00 174.62 174.93 3g1t s ARG 201 N -2.70 3.00 0.11 4.92 3.52 -0.32 -4.67 118.95 122.82 3g1t s ARG 201 Ca 0.06 -0.69 0.01 0.00 -0.13 0.00 0.00 55.73 54.97 3g1t s ARG 201 Cb -0.04 -5.20 -0.04 0.00 -1.56 0.00 0.00 34.95 28.11 3g1t s ARG 201 CO 0.01 -2.90 -0.02 0.95 -0.81 0.00 0.00 175.30 172.52 3g1t s THR 202 N 7.93 0.51 0.30 4.11 -4.23 -1.26 -4.56 115.64 118.44 3g1t s THR 202 Ca 0.60 -1.92 0.00 0.00 -1.18 0.00 0.00 61.69 59.19 3g1t s THR 202 Cb -0.04 -1.82 0.16 0.00 1.34 0.00 0.00 72.50 72.14 3g1t s THR 202 CO -0.04 -0.73 1.85 0.77 -0.54 0.00 0.00 174.62 175.93 3g1t h SER 203 N 2.91 0.70 -0.88 3.99 4.64 -1.99 -2.06 113.55 120.86 3g1t h SER 203 Ca -0.35 -0.12 0.03 0.00 -0.47 0.00 0.00 61.79 60.88 3g1t h SER 203 Cb 1.18 -0.18 -0.05 0.00 -0.31 0.00 0.00 62.40 63.03 3g1t h SER 203 CO 0.64 0.69 0.57 -0.03 -0.87 0.00 0.00 176.83 177.82 3g1t h MET 204 N 0.73 1.07 -0.30 4.77 1.85 -1.97 -1.44 114.93 119.64 3g1t h MET 204 Ca 0.16 -0.06 -0.06 0.00 -0.61 0.00 0.00 59.70 59.13 3g1t h MET 204 Cb 0.27 -0.24 -0.01 0.00 0.43 0.00 0.00 31.60 32.05 3g1t h MET 204 CO -0.00 0.71 -0.04 -0.09 -0.40 0.00 0.00 176.91 177.09 3g1t h ARG 205 N 1.10 0.55 0.00 0.39 9.65 -1.78 -1.85 114.38 122.45 3g1t h ARG 205 Ca 0.35 -0.20 -0.04 0.00 -1.10 0.00 0.00 59.98 58.99 3g1t h ARG 205 Cb 0.01 -0.04 -0.01 0.00 -1.39 0.00 0.00 29.97 28.54 3g1t h ARG 205 CO -0.12 0.72 -0.21 0.00 2.80 0.00 0.00 179.97 183.16 3g1t h ALA 206 N 0.81 1.43 -0.11 2.80 0.00 -1.06 -0.33 119.26 122.81 3g1t h ALA 206 Ca 0.08 -0.19 -0.15 0.00 0.00 0.00 0.00 54.91 54.65 3g1t h ALA 206 Cb 0.50 -0.03 0.01 0.00 0.00 0.00 0.00 17.79 18.26 3g1t h ALA 206 CO 0.02 0.27 -0.51 1.03 0.00 0.00 0.00 179.25 180.06 3g1t h SER 207 N 0.00 0.63 -0.26 0.00 0.87 -0.59 -2.57 113.55 111.63 3g1t h SER 207 Ca -0.00 -0.64 -0.12 0.00 -1.23 0.00 0.00 61.79 59.80 3g1t h SER 207 Cb 0.44 -0.19 -0.01 0.00 -0.44 0.00 0.00 62.40 62.20 3g1t h SER 207 CO 0.03 1.17 -0.24 0.00 -0.53 0.00 0.00 176.83 177.26 3g1t h ALA 208 N 0.48 0.88 -2.44 6.23 0.00 -1.02 -3.36 119.26 120.03 3g1t h ALA 208 Ca -0.03 -0.38 -0.60 0.00 0.00 0.00 0.00 54.91 53.90 3g1t h ALA 208 Cb 1.16 -0.14 -0.41 0.00 0.00 0.00 0.00 17.79 18.39 3g1t h ALA 208 CO 0.11 0.63 -0.70 1.19 0.00 0.00 0.00 179.25 180.47 3g1t n PHE 209 N -4.10 2.46 0.29 0.00 3.72 -0.16 -4.96 117.46 114.70 3g1t n PHE 209 Ca -0.00 -4.03 0.15 0.00 -0.05 0.00 0.00 57.45 53.52 3g1t n PHE 209 Cb 0.44 -0.46 0.89 0.00 -0.94 0.00 0.00 39.48 39.41 3g1t n PHE 209 CO 0.00 0.00 0.00 -1.00 -0.05 0.00 0.00 176.76 175.71 3g1t h PRO 210 N 4.65 0.00 0.00 -1.08 0.13 -1.62 -2.00 132.00 132.08 3g1t h PRO 210 Ca 0.17 0.00 -0.11 0.00 -0.87 0.00 0.00 66.00 65.19 3g1t h PRO 210 Cb 0.75 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 31.86 3g1t h PRO 210 CO 0.70 0.04 -0.55 1.79 -0.23 0.00 0.00 178.00 179.75 3g1t h THR 211 N 0.00 0.93 -4.03 1.56 1.35 -1.93 -3.47 112.91 107.32 3g1t h THR 211 Ca -0.00 -2.31 -0.52 0.00 -0.55 0.00 0.00 66.41 63.03 3g1t h THR 211 Cb 0.11 2.46 0.09 0.00 -1.73 0.00 0.00 68.15 69.07 3g1t h THR 211 CO 0.00 0.53 0.51 -0.70 -0.25 0.00 0.00 175.52 175.61 3g1t s GLU 212 N -2.94 3.49 -0.47 4.72 2.12 -0.75 -4.95 118.70 119.92 3g1t s GLU 212 Ca 0.04 1.88 -0.24 0.00 0.36 0.00 0.00 54.97 57.01 3g1t s GLU 212 Cb 0.08 -2.29 0.03 0.00 0.26 0.00 0.00 34.13 32.21 3g1t s GLU 212 CO 0.75 -0.80 0.85 0.34 -0.54 0.00 0.00 175.26 175.87 3g1t s ASP 213 N -1.32 6.42 0.24 -1.70 -1.08 -1.26 -4.88 116.67 113.09 3g1t s ASP 213 Ca 0.68 -0.10 0.22 0.00 -0.52 0.00 0.00 52.55 52.83 3g1t s ASP 213 Cb -0.31 -2.41 0.95 0.00 -1.46 0.00 0.00 42.92 39.69 3g1t s ASP 213 CO 0.37 -1.01 1.67 -0.81 0.52 0.00 0.00 175.17 175.91 3g1t n PRO 214 N 6.98 0.17 0.00 4.34 -0.04 -1.26 -1.93 135.00 143.25 3g1t n PRO 214 Ca 0.03 0.43 0.14 0.00 -0.04 0.00 0.00 63.50 64.06 3g1t n PRO 214 Cb 0.48 -1.84 0.66 0.00 -0.04 0.00 0.00 33.50 32.77 3g1t n PRO 214 CO 0.00 0.00 0.00 1.04 -0.04 0.00 0.00 175.50 176.50 3g1t n GLN 215 N -2.16 0.18 0.00 0.54 1.13 -1.26 -2.02 117.38 113.78 3g1t n GLN 215 Ca 0.02 0.01 0.13 0.00 -1.94 0.00 0.00 57.00 55.22 3g1t n GLN 215 Cb 0.20 -1.50 0.34 0.00 0.11 0.00 0.00 30.24 29.39 3g1t n GLN 215 CO 0.00 0.00 0.00 1.63 -1.44 0.00 0.00 177.06 177.25 3g1t n LYS 216 N -1.41 1.32 -3.48 -1.09 5.02 -0.81 -4.94 118.16 112.77 3g1t n LYS 216 Ca 0.10 -0.87 -0.30 0.00 -2.02 0.00 0.00 58.31 55.22 3g1t n LYS 216 Cb 0.29 -1.48 -0.04 0.00 -0.02 0.00 0.00 35.03 33.78 3g1t n LYS 216 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 3g1t s LEU 217 N -2.28 4.15 0.57 -0.35 1.43 -0.86 -5.08 118.68 116.26 3g1t s LEU 217 Ca 0.28 0.70 -0.20 0.00 -1.03 0.00 0.00 54.13 53.88 3g1t s LEU 217 Cb 0.20 -3.48 -0.04 0.00 0.03 0.00 0.00 46.19 42.90 3g1t s LEU 217 CO 0.44 -0.09 1.27 -0.54 0.23 0.00 0.00 176.35 177.67 3g1t s LYS 218 N -3.13 3.07 0.59 1.70 -0.14 -1.26 -4.72 119.74 115.85 3g1t s LYS 218 Ca 0.43 2.01 -0.04 0.00 -1.36 0.00 0.00 55.97 57.01 3g1t s LYS 218 Cb -0.11 -2.10 0.02 0.00 -1.68 0.00 0.00 37.83 33.96 3g1t s LYS 218 CO 0.26 -1.17 0.87 0.95 -0.76 0.00 0.00 175.35 175.50 3g1t s THR 219 N -1.45 3.22 0.34 2.17 -4.23 -1.26 -1.18 115.64 113.26 3g1t s THR 219 Ca 0.74 -0.24 0.08 0.00 -1.18 0.00 0.00 61.69 61.09 3g1t s THR 219 Cb -0.35 -3.28 0.32 0.00 1.34 0.00 0.00 72.50 70.53 3g1t s THR 219 CO 0.40 -0.26 1.84 -0.65 -0.54 0.00 0.00 174.62 175.41 3g1t h PRO 220 N -0.15 0.72 -0.70 3.99 0.11 -1.94 -1.79 132.00 132.24 3g1t h PRO 220 Ca -0.45 -0.04 0.06 0.00 0.11 0.00 0.00 66.00 65.68 3g1t h PRO 220 Cb 1.28 -0.16 -0.06 0.00 0.11 0.00 0.00 31.00 32.17 3g1t h PRO 220 CO 0.59 0.48 0.40 0.00 -0.21 0.00 0.00 178.00 179.26 3g1t h ALA 221 N 1.59 0.94 -0.55 -0.75 0.00 -1.95 -2.70 119.26 115.85 3g1t h ALA 221 Ca 0.48 0.01 0.06 0.00 0.00 0.00 0.00 54.91 55.47 3g1t h ALA 221 Cb 0.75 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 18.36 3g1t h ALA 221 CO -0.25 0.09 0.37 -0.44 0.00 0.00 0.00 179.25 179.02 3g1t h ASP 222 N 0.74 0.44 -0.26 0.00 3.32 -1.70 -2.69 116.42 116.26 3g1t h ASP 222 Ca 0.31 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.36 3g1t h ASP 222 Cb 0.18 -0.09 0.00 0.00 0.22 0.00 0.00 39.33 39.64 3g1t h ASP 222 CO -0.18 0.29 0.00 2.30 -1.72 0.00 0.00 179.24 179.93 3g1t n ILE 223 N -4.47 0.34 0.25 0.35 -5.35 -1.02 -4.50 119.36 104.96 3g1t n ILE 223 Ca 0.08 -0.49 0.10 0.00 -0.27 0.00 0.00 62.75 62.17 3g1t n ILE 223 Cb 0.24 0.54 0.67 0.00 -1.74 0.00 0.00 39.64 39.35 3g1t n ILE 223 CO 0.00 0.00 0.00 0.24 -1.76 0.00 0.00 176.55 175.03 3g1t h MET 224 N 2.91 0.00 -0.88 6.28 2.86 -1.44 -3.25 114.93 121.41 3g1t h MET 224 Ca 0.00 0.00 0.11 0.00 -2.06 0.00 0.00 59.70 57.75 3g1t h MET 224 Cb 0.64 0.00 -0.08 0.00 0.06 0.00 0.00 31.60 32.22 3g1t h MET 224 CO 0.00 0.12 0.51 -1.35 1.06 0.00 0.00 176.91 177.25 3g1t h PRO 225 N 0.00 0.79 -0.52 -0.22 0.11 -1.84 -0.16 132.00 130.15 3g1t h PRO 225 Ca -0.00 -0.05 -0.06 0.00 0.11 0.00 0.00 66.00 66.00 3g1t h PRO 225 Cb 0.25 -0.18 -0.02 0.00 0.11 0.00 0.00 31.00 31.16 3g1t h PRO 225 CO 0.02 0.52 0.10 1.25 -0.21 0.00 0.00 178.00 179.68 3g1t h LEU 226 N 0.81 0.82 -0.94 2.35 5.85 -1.94 0.12 115.31 122.38 3g1t h LEU 226 Ca 0.44 -0.25 0.06 0.00 0.84 0.00 0.00 57.88 58.97 3g1t h LEU 226 Cb 0.46 -0.22 -0.06 0.00 0.37 0.00 0.00 40.66 41.21 3g1t h LEU 226 CO -0.28 0.86 0.60 1.88 -0.34 0.00 0.00 178.44 181.16 3g1t h TYR 227 N 0.74 1.12 -0.14 1.25 0.05 -1.26 -1.45 116.97 117.28 3g1t h TYR 227 Ca 0.16 0.03 -0.03 0.00 0.05 0.00 0.00 58.73 58.94 3g1t h TYR 227 Cb 0.38 -0.36 -0.00 0.00 1.01 0.00 0.00 36.73 37.75 3g1t h TYR 227 CO 0.03 0.58 -0.03 -0.07 -1.05 0.00 0.00 178.16 177.62 3g1t h LEU 228 N 1.10 0.27 -0.64 3.88 3.38 -0.93 -3.24 115.31 119.13 3g1t h LEU 228 Ca 0.40 -0.36 0.04 0.00 0.09 0.00 0.00 57.88 58.05 3g1t h LEU 228 Cb 0.14 -0.07 -0.05 0.00 0.09 0.00 0.00 40.66 40.78 3g1t h LEU 228 CO -0.17 0.57 0.38 -0.25 0.09 0.00 0.00 178.44 179.07 3g1t h TRP 229 N -0.03 0.70 0.00 1.13 7.01 -0.35 -1.76 115.95 122.66 3g1t h TRP 229 Ca 0.04 0.02 -0.02 0.00 2.11 0.00 0.00 58.89 61.03 3g1t h TRP 229 Cb 0.45 -0.22 -0.00 0.00 -2.10 0.00 0.00 29.16 27.28 3g1t h TRP 229 CO 0.05 0.38 -0.11 1.25 -2.79 0.00 0.00 178.44 177.22 3g1t h LEU 230 N 0.73 0.00 0.00 0.65 5.85 -1.36 -2.90 115.31 118.28 3g1t h LEU 230 Ca 0.27 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.99 3g1t h LEU 230 Cb 0.08 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.11 3g1t h LEU 230 CO -0.13 0.11 -1.16 0.23 -0.34 0.00 0.00 178.44 177.15 3g1t n MET 231 N -3.62 0.61 -2.55 1.25 2.81 -0.71 -4.87 117.12 110.03 3g1t n MET 231 Ca -0.02 0.07 -0.25 0.00 -1.81 0.00 0.00 57.70 55.69 3g1t n MET 231 Cb 0.24 -1.78 0.03 0.00 -0.71 0.00 0.00 33.22 31.00 3g1t n MET 231 CO 0.00 0.00 0.00 0.20 1.51 0.00 0.00 175.97 177.68 3g1t s GLY 232 N -4.38 1.63 0.11 3.03 0.00 -0.90 -4.92 107.32 101.89 3g1t s GLY 232 Ca -0.02 -0.88 0.19 0.00 0.00 0.00 0.00 44.72 44.01 3g1t s GLY 232 CO 0.81 -0.62 1.59 1.22 0.00 0.00 0.00 173.10 176.10 3g1t n ASP 233 N -2.47 0.29 0.23 1.64 8.00 -1.26 -2.58 116.55 120.39 3g1t n ASP 233 Ca 0.04 0.57 0.16 0.00 0.71 0.00 0.00 54.79 56.27 3g1t n ASP 233 Cb 0.58 -0.63 0.71 0.00 -0.02 0.00 0.00 41.12 41.76 3g1t n ASP 233 CO 0.00 0.00 0.00 0.44 -0.39 0.00 0.00 177.20 177.25 3g1t h ASP 234 N 0.00 0.00 -0.51 -2.24 3.32 -1.95 -2.19 116.42 112.85 3g1t h ASP 234 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 3g1t h ASP 234 Cb 0.32 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.87 3g1t h ASP 234 CO 0.00 0.00 0.00 -1.54 -1.72 0.00 0.00 179.24 175.98 3g1t n SER 235 N -2.68 3.49 0.30 6.45 3.41 -1.07 -4.71 113.62 118.81 3g1t n SER 235 Ca 0.00 -1.97 0.18 0.00 -0.26 0.00 0.00 58.87 56.82 3g1t n SER 235 Cb 0.19 -0.34 0.93 0.00 -0.26 0.00 0.00 64.21 64.73 3g1t n SER 235 CO 0.00 0.00 0.00 0.08 -0.16 0.00 0.00 175.04 174.96 3g1t h ARG 236 N 3.72 0.00 -0.11 4.33 0.11 -1.56 -0.94 114.38 119.93 3g1t h ARG 236 Ca 0.00 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.08 3g1t h ARG 236 Cb 0.90 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.98 3g1t h ARG 236 CO 0.00 0.04 0.00 0.54 0.10 0.00 0.00 179.97 180.65 3g1t n ARG 237 N -3.36 1.50 -4.17 0.08 1.74 -1.26 -4.86 116.66 106.33 3g1t n ARG 237 Ca -0.02 -0.74 -0.34 0.00 -0.77 0.00 0.00 57.85 55.97 3g1t n ARG 237 Cb 0.17 -1.37 -0.14 0.00 -1.02 0.00 0.00 32.46 30.11 3g1t n ARG 237 CO 0.00 0.00 0.00 0.15 -1.52 0.00 0.00 177.63 176.26 3g1t s LYS 238 N -1.87 3.47 0.06 5.56 -0.14 -0.36 -5.08 119.74 121.38 3g1t s LYS 238 Ca 0.31 -0.60 -0.15 0.00 -1.36 0.00 0.00 55.97 54.18 3g1t s LYS 238 Cb 0.16 -2.94 0.03 0.00 -1.68 0.00 0.00 37.83 33.40 3g1t s LYS 238 CO 0.25 -0.02 0.34 -0.08 -0.76 0.00 0.00 175.35 175.08 3g1t s THR 239 N 1.03 0.08 -0.07 2.17 -1.32 -1.26 -4.54 115.64 111.73 3g1t s THR 239 Ca 0.01 -0.64 0.00 0.00 -1.21 0.00 0.00 61.69 59.84 3g1t s THR 239 Cb -0.15 -1.02 0.00 0.00 -1.51 0.00 0.00 72.50 69.82 3g1t s THR 239 CO 0.00 -0.36 0.00 0.61 -2.21 0.00 0.00 174.62 172.67 3g1t n GLY 240 N 0.35 0.43 3.75 6.08 0.00 0.06 -4.94 105.19 110.91 3g1t n GLY 240 Ca -0.18 -0.11 -0.22 0.00 0.00 0.00 0.00 46.02 45.51 3g1t n GLY 240 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 3g1t s MET 241 N -0.72 2.64 -0.12 1.61 1.00 -1.26 -4.88 119.30 117.58 3g1t s MET 241 Ca 0.00 -1.23 0.01 0.00 0.00 0.00 0.00 55.69 54.47 3g1t s MET 241 Cb 0.00 -2.38 0.02 0.00 0.00 0.00 0.00 34.83 32.47 3g1t s MET 241 CO 0.00 0.36 -0.14 -0.08 0.00 0.00 0.00 175.02 175.16 3g1t s THR 242 N -2.23 1.44 -0.08 2.05 -1.32 -1.26 -0.88 115.64 113.36 3g1t s THR 242 Ca 0.33 -0.59 0.00 0.00 -1.21 0.00 0.00 61.69 60.22 3g1t s THR 242 Cb -0.07 -1.34 -0.03 0.00 -1.51 0.00 0.00 72.50 69.55 3g1t s THR 242 CO 0.23 0.43 -0.06 -0.36 -2.21 0.00 0.00 174.62 172.65 3g1t s PHE 243 N 1.20 2.96 -0.27 9.09 0.08 -0.12 -4.96 117.98 125.94 3g1t s PHE 243 Ca -0.02 -0.01 -0.17 0.00 0.12 0.00 0.00 56.93 56.85 3g1t s PHE 243 Cb -0.14 -1.74 -0.03 0.00 -0.57 0.00 0.00 43.02 40.54 3g1t s PHE 243 CO -0.05 0.29 0.46 -0.51 -0.10 0.00 0.00 175.22 175.31 3g1t s ASP 244 N -0.67 6.35 0.48 1.36 -0.00 -1.26 -0.53 116.67 122.39 3g1t s ASP 244 Ca 0.10 0.38 0.16 0.00 -0.00 0.00 0.00 52.55 53.20 3g1t s ASP 244 Cb -0.11 -2.25 1.17 0.00 -0.00 0.00 0.00 42.92 41.72 3g1t s ASP 244 CO 0.02 -0.26 2.05 0.00 -0.00 0.00 0.00 175.17 176.98 3g1t h ALA 245 N 8.12 2.08 -2.75 5.23 0.00 -1.57 -3.36 119.26 127.00 3g1t h ALA 245 Ca -0.30 -0.01 -0.60 0.00 0.00 0.00 0.00 54.91 54.00 3g1t h ALA 245 Cb 1.15 -0.04 -0.39 0.00 0.00 0.00 0.00 17.79 18.50 3g1t h ALA 245 CO 0.69 -0.16 -0.80 -0.65 0.00 0.00 0.00 179.25 178.32 3g1t s GLN 246 N -5.22 1.08 0.00 0.00 -0.21 -1.26 -4.98 119.66 109.07 3g1t s GLN 246 Ca -0.06 -1.93 0.31 0.00 0.02 0.00 0.00 55.36 53.70 3g1t s GLN 246 Cb 0.18 -1.93 1.75 0.00 1.00 0.00 0.00 33.01 34.01 3g1t s GLN 246 CO 0.72 -1.23 2.14 -2.30 -2.12 0.00 0.00 175.29 172.50