#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3g1p s LEU 3 N 0.00 0.67 -0.03 1.04 2.96 -1.26 -0.99 118.68 121.07 3g1p s LEU 3 Ca 0.00 -0.05 0.04 0.00 -0.22 0.00 0.00 54.13 53.90 3g1p s LEU 3 Cb 0.00 -0.36 -0.00 0.00 0.50 0.00 0.00 46.19 46.33 3g1p s LEU 3 CO 0.00 -0.18 -0.14 -0.89 -1.32 0.00 0.00 176.35 173.83 3g1p s THR 4 N 1.76 1.14 -0.09 3.68 2.01 -0.43 -4.62 115.64 119.08 3g1p s THR 4 Ca 0.01 -0.58 0.04 0.00 0.31 0.00 0.00 61.69 61.48 3g1p s THR 4 Cb -0.13 -0.97 -0.00 0.00 0.01 0.00 0.00 72.50 71.41 3g1p s THR 4 CO -0.04 0.33 -0.23 -0.22 -0.69 0.00 0.00 174.62 173.77 3g1p s LEU 5 N -0.05 2.15 -0.10 4.42 2.96 -0.16 -0.88 118.68 127.03 3g1p s LEU 5 Ca -0.00 -0.52 0.02 0.00 -0.22 0.00 0.00 54.13 53.41 3g1p s LEU 5 Cb -0.09 -1.42 -0.02 0.00 0.50 0.00 0.00 46.19 45.17 3g1p s LEU 5 CO 0.01 0.18 -0.16 -0.89 -1.32 0.00 0.00 176.35 174.17 3g1p s THR 6 N 0.21 2.84 -0.67 3.68 2.01 0.30 0.34 115.64 124.34 3g1p s THR 6 Ca -0.14 -0.76 -0.20 0.00 0.31 0.00 0.00 61.69 60.90 3g1p s THR 6 Cb -0.17 -2.14 0.10 0.00 0.01 0.00 0.00 72.50 70.30 3g1p s THR 6 CO 0.07 0.55 0.85 -0.76 -0.69 0.00 0.00 174.62 174.65 3g1p s LEU 7 N 0.01 5.07 0.27 4.42 1.43 -0.10 -0.80 118.68 128.98 3g1p s LEU 7 Ca -0.05 -1.44 0.15 0.00 -1.03 0.00 0.00 54.13 51.76 3g1p s LEU 7 Cb -0.14 -2.35 0.05 0.00 0.03 0.00 0.00 46.19 43.78 3g1p s LEU 7 CO 0.04 -1.19 1.43 0.71 0.23 0.00 0.00 176.35 177.57 3g1p h THR 8 N 5.88 0.89 -3.66 5.49 1.35 -1.52 0.37 112.91 121.71 3g1p h THR 8 Ca -0.21 -2.26 -0.21 0.00 -0.55 0.00 0.00 66.41 63.18 3g1p h THR 8 Cb 1.07 2.44 -0.26 0.00 -1.73 0.00 0.00 68.15 69.66 3g1p h THR 8 CO 1.11 0.51 -0.66 -0.83 -0.25 0.00 0.00 175.52 175.40 3g1p s GLY 9 N -4.47 0.00 -0.01 5.82 0.00 -1.03 -4.23 107.32 103.40 3g1p s GLY 9 Ca 0.04 0.03 0.02 0.00 0.00 0.00 0.00 44.72 44.81 3g1p s GLY 9 CO 0.75 0.00 0.79 -1.30 0.00 0.00 0.00 173.10 173.34 3g1p n THR 10 N 2.81 0.52 -3.38 0.90 -2.24 -0.56 -1.85 114.28 110.48 3g1p n THR 10 Ca -0.14 -0.55 -0.21 0.00 -2.27 0.00 0.00 64.05 60.88 3g1p n THR 10 Cb 0.59 0.67 0.04 0.00 -2.10 0.00 0.00 70.33 69.53 3g1p n THR 10 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3g1p n GLY 11 N -0.30 2.28 0.00 3.38 0.00 0.67 -0.86 105.19 110.37 3g1p n GLY 11 Ca 0.01 -2.25 0.00 0.00 0.00 0.00 0.00 46.02 43.78 3g1p n GLY 11 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3g1p n GLY 12 N -1.66 2.29 0.36 -0.02 0.00 -1.26 -1.21 105.19 103.69 3g1p n GLY 12 Ca 0.09 -2.13 0.02 0.00 0.00 0.00 0.00 46.02 44.00 3g1p n GLY 12 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3g1p h ALA 13 N 0.39 1.47 -0.11 4.61 0.00 -1.96 -1.80 119.26 121.86 3g1p h ALA 13 Ca 0.00 -0.04 -0.13 0.00 0.00 0.00 0.00 54.91 54.74 3g1p h ALA 13 Cb 0.00 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 17.48 3g1p h ALA 13 CO 0.00 0.42 -0.50 0.37 0.00 0.00 0.00 179.25 179.54 3g1p h GLN 14 N 1.08 0.30 -0.99 0.00 4.15 -1.97 -3.49 115.11 114.18 3g1p h GLN 14 Ca 0.37 -0.17 0.12 0.00 0.77 0.00 0.00 58.65 59.73 3g1p h GLN 14 Cb 0.09 0.01 -0.04 0.00 0.21 0.00 0.00 27.48 27.76 3g1p h GLN 14 CO -0.12 0.74 -0.21 0.41 -1.93 0.00 0.00 178.83 177.71 3g1p n GLY 15 N 0.06 -1.80 2.86 2.39 0.00 -0.68 -4.38 105.19 103.64 3g1p n GLY 15 Ca -0.02 -1.40 -0.24 0.00 0.00 0.00 0.00 46.02 44.35 3g1p n GLY 15 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3g1p s VAL 16 N -1.86 0.73 0.42 1.61 1.01 -1.12 -2.92 120.40 118.27 3g1p s VAL 16 Ca 0.00 -0.12 -0.24 0.00 0.00 0.00 0.00 61.98 61.62 3g1p s VAL 16 Cb 0.00 -0.80 -0.08 0.00 0.00 0.00 0.00 36.38 35.50 3g1p s VAL 16 CO 0.00 0.31 1.10 -2.16 0.00 0.00 0.00 175.10 174.35 3g1p s PRO 17 N 1.66 4.03 0.35 2.72 0.04 -1.26 -0.80 135.00 141.73 3g1p s PRO 17 Ca 0.02 1.65 -0.28 0.00 0.04 0.00 0.00 61.00 62.43 3g1p s PRO 17 Cb -0.13 -2.53 -0.09 0.00 0.04 0.00 0.00 34.50 31.79 3g1p s PRO 17 CO -0.05 -0.29 1.23 0.00 0.04 0.00 0.00 177.00 177.93 3g1p s ALA 18 N -1.58 3.36 0.06 8.56 0.00 -1.15 -4.90 121.76 126.10 3g1p s ALA 18 Ca 0.59 1.11 -0.31 0.00 0.00 0.00 0.00 51.96 53.35 3g1p s ALA 18 Cb -0.25 -3.43 -0.10 0.00 0.00 0.00 0.00 23.12 19.34 3g1p s ALA 18 CO 0.32 -0.55 1.89 1.87 0.00 0.00 0.00 175.76 179.29 3g1p n TRP 19 N 0.59 2.52 -0.32 0.00 -0.00 -1.26 -1.42 117.44 117.53 3g1p n TRP 19 Ca 0.01 -0.20 0.00 0.00 -0.00 0.00 0.00 57.50 57.31 3g1p n TRP 19 Cb 0.44 -2.74 0.00 0.00 -0.00 0.00 0.00 31.31 29.01 3g1p n TRP 19 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 177.69 178.10 3g1p n GLY 20 N 4.35 2.33 3.75 5.87 0.00 -1.26 -5.02 105.19 115.21 3g1p n GLY 20 Ca 0.20 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.81 3g1p n GLY 20 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3g1p n GLU 22 N 1.78 1.52 -0.90 0.00 -0.58 -1.26 -4.37 120.64 116.83 3g1p n GLU 22 Ca -0.00 -3.14 -0.28 0.00 -0.42 0.00 0.00 57.16 53.31 3g1p n GLU 22 Cb 0.46 -1.59 0.22 0.00 -0.57 0.00 0.00 31.44 29.96 3g1p n GLU 22 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 3g1p h ALA 24 N -2.28 1.59 -0.18 0.00 0.00 -1.96 0.87 119.26 117.30 3g1p h ALA 24 Ca -0.58 -0.04 -0.14 0.00 0.00 0.00 0.00 54.91 54.15 3g1p h ALA 24 Cb 1.34 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 18.89 3g1p h ALA 24 CO 0.54 0.35 -0.44 0.00 0.00 0.00 0.00 179.25 179.71 3g1p h ALA 25 N 1.60 0.29 -0.14 0.00 0.00 -1.90 -2.03 119.26 117.08 3g1p h ALA 25 Ca 0.27 -0.47 -0.16 0.00 0.00 0.00 0.00 54.91 54.54 3g1p h ALA 25 Cb 0.02 -0.04 0.01 0.00 0.00 0.00 0.00 17.79 17.78 3g1p h ALA 25 CO -0.07 0.42 -0.56 0.00 0.00 0.00 0.00 179.25 179.04 3g1p h ALA 27 N 0.52 1.14 -0.55 0.00 0.00 -0.93 -1.34 119.26 118.11 3g1p h ALA 27 Ca -0.03 -0.17 -0.02 0.00 0.00 0.00 0.00 54.91 54.69 3g1p h ALA 27 Cb 1.19 -0.31 -0.03 0.00 0.00 0.00 0.00 17.79 18.64 3g1p h ALA 27 CO 0.12 0.64 0.27 -0.09 0.00 0.00 0.00 179.25 180.19 3g1p h ARG 28 N 1.13 0.78 0.00 0.00 2.43 -1.22 -1.97 114.38 115.53 3g1p h ARG 28 Ca 0.27 -0.11 -0.02 0.00 -0.81 0.00 0.00 59.98 59.31 3g1p h ARG 28 Cb 0.15 -0.14 -0.00 0.00 -0.42 0.00 0.00 29.97 29.55 3g1p h ARG 28 CO -0.03 0.63 -0.11 0.00 -1.51 0.00 0.00 179.97 178.95 3g1p h ALA 29 N 1.11 1.13 0.05 2.80 0.00 -0.74 0.30 119.26 123.92 3g1p h ALA 29 Ca 0.19 -0.10 -0.26 0.00 0.00 0.00 0.00 54.91 54.73 3g1p h ALA 29 Cb 0.10 -0.02 0.02 0.00 0.00 0.00 0.00 17.79 17.89 3g1p h ALA 29 CO -0.03 0.14 -1.09 0.00 0.00 0.00 0.00 179.25 178.27 3g1p h ARG 30 N 0.00 0.53 -0.16 0.00 3.08 -0.80 -3.24 114.38 113.78 3g1p h ARG 30 Ca -0.00 -0.64 -0.19 0.00 0.07 0.00 0.00 59.98 59.22 3g1p h ARG 30 Cb 0.44 0.20 0.00 0.00 0.08 0.00 0.00 29.97 30.69 3g1p h ARG 30 CO 0.01 1.25 -0.67 0.00 -1.07 0.00 0.00 179.97 179.50 3g1p h ARG 31 N 0.26 0.64 -3.77 0.04 3.08 -0.93 -3.41 114.38 110.29 3g1p h ARG 31 Ca -0.13 -0.47 -0.59 0.00 0.07 0.00 0.00 59.98 58.86 3g1p h ARG 31 Cb 1.75 0.08 -0.40 0.00 0.08 0.00 0.00 29.97 31.49 3g1p h ARG 31 CO 0.20 1.09 -0.76 -1.12 -1.07 0.00 0.00 179.97 178.31 3g1p s SER 32 N -7.00 3.97 0.47 7.04 0.01 0.06 -5.01 113.70 113.24 3g1p s SER 32 Ca -0.08 -1.56 0.32 0.00 1.31 0.00 0.00 55.95 55.94 3g1p s SER 32 Cb 0.10 -0.95 1.69 0.00 0.21 0.00 0.00 66.02 67.07 3g1p s SER 32 CO 0.87 -0.38 1.97 1.55 0.41 0.00 0.00 173.24 177.66 3g1p h PRO 33 N 8.04 0.00 0.00 12.44 0.13 -1.81 -1.34 132.00 149.46 3g1p h PRO 33 Ca -0.13 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.00 3g1p h PRO 33 Cb 1.03 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.16 3g1p h PRO 33 CO 0.46 0.00 0.00 1.04 -0.23 0.00 0.00 178.00 179.27 3g1p n GLN 34 N -2.62 0.10 0.00 0.86 3.00 -1.26 -0.91 117.38 116.54 3g1p n GLN 34 Ca -0.02 0.50 0.12 0.00 -0.01 0.00 0.00 57.00 57.60 3g1p n GLN 34 Cb 0.07 -1.76 0.20 0.00 0.00 0.00 0.00 30.24 28.75 3g1p n GLN 34 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.06 177.72 3g1p n TYR 35 N -1.96 0.00 -2.05 1.08 4.01 -0.51 -4.80 117.16 112.93 3g1p n TYR 35 Ca 0.00 0.00 -0.36 0.00 -0.16 0.00 0.00 57.90 57.38 3g1p n TYR 35 Cb 0.09 -0.01 0.03 0.00 -0.31 0.00 0.00 39.34 39.13 3g1p n TYR 35 CO 0.00 0.00 0.00 1.03 -0.46 0.00 0.00 176.86 177.43 3g1p s ARG 36 N -2.18 3.11 -0.18 -0.72 0.52 -0.09 -4.80 118.95 114.62 3g1p s ARG 36 Ca 0.27 1.83 0.00 0.00 -0.52 0.00 0.00 55.73 57.32 3g1p s ARG 36 Cb 0.20 -2.01 0.04 0.00 0.52 0.00 0.00 34.95 33.70 3g1p s ARG 36 CO 0.40 -1.10 -0.07 1.03 0.02 0.00 0.00 175.30 175.58 3g1p s ARG 37 N -3.22 1.68 0.60 3.54 0.52 0.02 -4.51 118.95 117.57 3g1p s ARG 37 Ca 0.75 -0.67 -0.01 0.00 -0.52 0.00 0.00 55.73 55.28 3g1p s ARG 37 Cb -0.30 -2.20 0.04 0.00 0.52 0.00 0.00 34.95 33.01 3g1p s ARG 37 CO 0.34 -0.44 0.85 -0.65 0.02 0.00 0.00 175.30 175.42 3g1p s GLN 38 N 1.53 2.43 0.32 3.54 -0.21 -1.26 -2.78 119.66 123.23 3g1p s GLN 38 Ca -0.00 -0.62 -0.29 0.00 0.02 0.00 0.00 55.36 54.47 3g1p s GLN 38 Cb -0.16 -2.39 -0.11 0.00 1.00 0.00 0.00 33.01 31.36 3g1p s GLN 38 CO -0.08 -0.88 1.52 -2.14 -2.12 0.00 0.00 175.29 171.59 3g1p s PRO 39 N -4.92 4.15 -0.43 2.91 0.02 -1.26 -0.24 135.00 135.23 3g1p s PRO 39 Ca 0.58 2.52 -0.43 0.00 0.02 0.00 0.00 61.00 63.70 3g1p s PRO 39 Cb -0.10 -3.02 -0.17 0.00 0.02 0.00 0.00 34.50 31.23 3g1p s PRO 39 CO 0.40 -0.55 1.91 0.00 -0.33 0.00 0.00 177.00 178.44 3g1p s SER 41 N 4.86 -0.43 0.28 0.00 1.04 -0.77 -4.69 113.70 113.99 3g1p s SER 41 Ca 1.09 -0.05 -0.09 0.00 0.48 0.00 0.00 55.95 57.38 3g1p s SER 41 Cb -1.30 0.50 -0.00 0.00 0.10 0.00 0.00 66.02 65.31 3g1p s SER 41 CO 0.68 -0.81 0.47 -0.83 0.98 0.00 0.00 173.24 173.73 3g1p s GLY 42 N -2.64 0.87 -0.06 7.32 0.00 -0.15 -1.34 107.32 111.32 3g1p s GLY 42 Ca 0.04 -1.12 0.01 0.00 0.00 0.00 0.00 44.72 43.65 3g1p s GLY 42 CO -0.09 -0.77 -0.04 0.14 0.00 0.00 0.00 173.10 172.33 3g1p s VAL 43 N -3.63 0.59 -0.16 1.40 1.01 0.02 -0.50 120.40 119.13 3g1p s VAL 43 Ca 0.26 -0.12 -0.03 0.00 0.00 0.00 0.00 61.98 62.09 3g1p s VAL 43 Cb -0.00 -0.63 -0.02 0.00 0.00 0.00 0.00 36.38 35.72 3g1p s VAL 43 CO 0.13 0.25 -0.05 -0.69 0.00 0.00 0.00 175.10 174.74 3g1p s VAL 44 N 1.15 3.67 -0.19 2.92 1.01 0.23 -0.54 120.40 128.65 3g1p s VAL 44 Ca -0.07 -0.43 0.01 0.00 0.00 0.00 0.00 61.98 61.49 3g1p s VAL 44 Cb -0.14 -2.61 0.02 0.00 0.00 0.00 0.00 36.38 33.66 3g1p s VAL 44 CO -0.01 0.49 -0.19 -0.75 0.00 0.00 0.00 175.10 174.63 3g1p s LYS 45 N 0.54 2.92 -0.27 2.72 2.20 -0.05 -0.92 119.74 126.86 3g1p s LYS 45 Ca -0.04 -0.88 0.02 0.00 -0.36 0.00 0.00 55.97 54.71 3g1p s LYS 45 Cb -0.15 -2.60 0.06 0.00 -1.51 0.00 0.00 37.83 33.63 3g1p s LYS 45 CO 0.03 -0.25 -0.08 0.12 -0.36 0.00 0.00 175.35 174.81 3g1p s PHE 46 N 1.27 3.30 0.00 4.03 5.36 0.13 -1.31 117.98 130.75 3g1p s PHE 46 Ca 0.04 -2.28 0.00 0.00 -0.96 0.00 0.00 56.93 53.73 3g1p s PHE 46 Cb -0.14 -2.02 0.00 0.00 -0.34 0.00 0.00 43.02 40.52 3g1p s PHE 46 CO -0.12 -0.87 0.00 0.09 -1.46 0.00 0.00 175.22 172.86 3g1p n ASN 47 N 4.46 0.00 -0.23 6.13 3.02 -0.16 -1.15 115.26 127.32 3g1p n ASN 47 Ca -0.13 0.00 0.13 0.00 -0.03 0.00 0.00 54.58 54.55 3g1p n ASN 47 Cb 0.42 0.00 0.35 0.00 -0.61 0.00 0.00 39.78 39.94 3g1p n ASN 47 CO 0.00 0.00 0.00 0.47 -2.62 0.00 0.00 177.26 175.11 3g1p n ASP 48 N 6.65 1.00 -4.75 6.41 8.00 -1.26 -4.94 116.55 127.67 3g1p n ASP 48 Ca 0.00 -0.85 -0.38 0.00 0.71 0.00 0.00 54.79 54.28 3g1p n ASP 48 Cb 0.00 0.16 -0.06 0.00 -0.02 0.00 0.00 41.12 41.20 3g1p n ASP 48 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3g1p s ALA 49 N -2.55 3.54 -0.12 2.24 0.00 -0.30 -5.02 121.76 119.54 3g1p s ALA 49 Ca 0.23 -0.22 0.02 0.00 0.00 0.00 0.00 51.96 51.99 3g1p s ALA 49 Cb 0.19 -2.57 -0.00 0.00 0.00 0.00 0.00 23.12 20.74 3g1p s ALA 49 CO 0.54 0.12 -0.19 0.42 0.00 0.00 0.00 175.76 176.65 3g1p s ILE 50 N 0.20 2.44 -0.11 0.00 1.01 -1.26 -0.69 121.20 122.79 3g1p s ILE 50 Ca 0.25 -0.88 0.03 0.00 0.00 0.00 0.00 60.65 60.05 3g1p s ILE 50 Cb -0.15 -1.98 -0.00 0.00 0.01 0.00 0.00 42.46 40.33 3g1p s ILE 50 CO 0.10 0.54 -0.21 -0.89 0.00 0.00 0.00 174.94 174.49 3g1p s THR 51 N 0.42 2.31 -0.32 2.92 2.01 -0.10 -0.61 115.64 122.27 3g1p s THR 51 Ca -0.14 -0.93 -0.16 0.00 0.31 0.00 0.00 61.69 60.77 3g1p s THR 51 Cb -0.17 -1.91 -0.02 0.00 0.01 0.00 0.00 72.50 70.42 3g1p s THR 51 CO 0.06 0.55 0.41 -0.76 -0.69 0.00 0.00 174.62 174.19 3g1p s LEU 52 N 0.37 4.29 -0.36 4.42 1.02 -0.64 -0.60 118.68 127.17 3g1p s LEU 52 Ca -0.16 -0.01 -0.21 0.00 0.02 0.00 0.00 54.13 53.76 3g1p s LEU 52 Cb -0.17 -2.43 0.01 0.00 0.02 0.00 0.00 46.19 43.61 3g1p s LEU 52 CO 0.08 -0.33 0.68 -0.63 0.02 0.00 0.00 176.35 176.17 3g1p s ILE 53 N 2.14 4.84 0.38 -0.59 1.01 0.34 -0.60 121.20 128.72 3g1p s ILE 53 Ca 0.15 0.64 0.00 0.00 0.00 0.00 0.00 60.65 61.43 3g1p s ILE 53 Cb -0.16 -4.12 0.00 0.00 0.01 0.00 0.00 42.46 38.19 3g1p s ILE 53 CO 0.12 -0.37 0.00 0.47 0.00 0.00 0.00 174.94 175.16 3g1p n ASP 54 N 6.17 -7.74 -2.70 3.58 8.00 -0.13 -0.98 116.55 122.75 3g1p n ASP 54 Ca -0.00 0.76 -0.06 0.00 0.71 0.00 0.00 54.79 56.20 3g1p n ASP 54 Cb 0.48 -4.08 0.08 0.00 -0.02 0.00 0.00 41.12 37.58 3g1p n ASP 54 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3g1p n ALA 55 N -2.81 2.41 0.25 2.24 0.00 0.69 -4.74 120.51 118.54 3g1p n ALA 55 Ca -0.02 -2.11 0.12 0.00 0.00 0.00 0.00 53.44 51.43 3g1p n ALA 55 Cb 0.60 -0.94 0.15 0.00 0.00 0.00 0.00 19.45 19.25 3g1p n ALA 55 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 3g1p h GLY 56 N 2.32 0.00 -2.87 0.00 0.00 -1.67 0.62 103.07 101.48 3g1p h GLY 56 Ca -0.22 0.00 -0.51 0.00 0.00 0.00 0.00 47.33 46.60 3g1p h GLY 56 CO 0.16 0.00 0.51 1.08 0.00 0.00 0.00 176.54 178.29 3g1p s LEU 57 N -5.71 4.05 0.00 3.11 1.43 -1.26 -4.45 118.68 115.84 3g1p s LEU 57 Ca 0.05 2.40 0.26 0.00 -1.03 0.00 0.00 54.13 55.81 3g1p s LEU 57 Cb 0.07 -4.17 0.67 0.00 0.03 0.00 0.00 46.19 42.79 3g1p s LEU 57 CO 0.70 -0.94 1.53 1.41 0.23 0.00 0.00 176.35 179.28 3g1p n HIS 58 N -0.39 0.00 -1.83 0.29 8.25 -1.26 -3.95 115.22 116.33 3g1p n HIS 58 Ca 0.07 0.00 -0.00 0.00 -0.26 0.00 0.00 57.72 57.52 3g1p n HIS 58 Cb 0.47 -0.27 0.14 0.00 1.12 0.00 0.00 29.99 31.45 3g1p n HIS 58 CO 0.00 0.00 0.00 -0.40 0.64 0.00 0.00 176.34 176.58 3g1p n ASP 59 N -1.39 2.27 0.22 0.41 5.75 -1.26 -4.75 116.55 117.81 3g1p n ASP 59 Ca 0.07 -3.59 0.10 0.00 -0.01 0.00 0.00 54.79 51.36 3g1p n ASP 59 Cb 0.33 -0.46 0.66 0.00 -1.03 0.00 0.00 41.12 40.62 3g1p n ASP 59 CO 0.00 0.00 0.00 -0.07 -0.11 0.00 0.00 177.20 177.02 3g1p h LEU 60 N 1.29 0.00 -1.04 -2.12 3.38 -1.87 -1.38 115.31 113.56 3g1p h LEU 60 Ca 0.04 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.01 3g1p h LEU 60 Cb 1.22 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.97 3g1p h LEU 60 CO 0.17 0.00 0.00 0.00 0.09 0.00 0.00 178.44 178.70 3g1p h ALA 61 N 1.96 1.00 0.00 1.53 0.00 -1.85 -0.92 119.26 120.97 3g1p h ALA 61 Ca 0.04 0.00 -0.31 0.00 0.00 0.00 0.00 54.91 54.64 3g1p h ALA 61 Cb 0.15 0.00 -0.06 0.00 0.00 0.00 0.00 17.79 17.88 3g1p h ALA 61 CO -0.00 0.00 -2.12 -0.25 0.00 0.00 0.00 179.25 176.88 3g1p n ASP 62 N -2.51 0.27 0.10 0.00 8.00 -0.57 -4.34 116.55 117.51 3g1p n ASP 62 Ca 0.01 0.13 -0.02 0.00 0.71 0.00 0.00 54.79 55.62 3g1p n ASP 62 Cb 0.23 0.76 -0.04 0.00 -0.02 0.00 0.00 41.12 42.05 3g1p n ASP 62 CO 0.00 0.00 0.00 0.03 -0.39 0.00 0.00 177.20 176.84 3g1p h ARG 63 N 0.00 0.00 -4.09 -1.24 3.08 -0.91 -3.46 114.38 107.75 3g1p h ARG 63 Ca -0.41 0.00 -0.19 0.00 0.07 0.00 0.00 59.98 59.45 3g1p h ARG 63 Cb 2.04 0.00 -0.21 0.00 0.08 0.00 0.00 29.97 31.88 3g1p h ARG 63 CO 0.04 0.70 -0.71 -1.58 -1.07 0.00 0.00 179.97 177.36 3g1p s TRP 64 N -2.84 0.34 0.29 3.04 0.52 -0.40 -5.10 118.94 114.78 3g1p s TRP 64 Ca 0.02 -0.53 0.08 0.00 0.02 0.00 0.00 56.10 55.69 3g1p s TRP 64 Cb 0.09 -0.23 -0.04 0.00 -1.15 0.00 0.00 33.47 32.14 3g1p s TRP 64 CO 0.78 -0.17 0.16 -1.54 0.02 0.00 0.00 176.95 176.20 3g1p s SER 65 N -1.50 5.12 0.19 2.95 1.04 -1.26 -4.53 113.70 115.70 3g1p s SER 65 Ca -0.15 -0.47 -0.32 0.00 0.48 0.00 0.00 55.95 55.49 3g1p s SER 65 Cb -0.10 -1.08 -0.11 0.00 0.10 0.00 0.00 66.02 64.83 3g1p s SER 65 CO -0.01 -0.13 1.70 -2.84 0.98 0.00 0.00 173.24 172.94 3g1p s PRO 66 N -3.84 4.15 0.00 4.02 0.02 -1.26 -1.43 135.00 136.66 3g1p s PRO 66 Ca 0.35 2.55 0.00 0.00 0.02 0.00 0.00 61.00 63.92 3g1p s PRO 66 Cb -0.06 -3.15 0.00 0.00 0.02 0.00 0.00 34.50 31.31 3g1p s PRO 66 CO 0.24 -0.73 0.00 0.41 -0.33 0.00 0.00 177.00 176.59 3g1p n GLY 67 N 3.96 0.77 0.01 0.52 0.00 -1.26 -4.92 105.19 104.27 3g1p n GLY 67 Ca 0.16 0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.31 3g1p n GLY 67 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3g1p n SER 68 N 0.00 0.19 -4.23 1.61 3.41 -0.51 -4.81 113.62 109.28 3g1p n SER 68 Ca 0.00 0.13 -0.13 0.00 -0.26 0.00 0.00 58.87 58.61 3g1p n SER 68 Cb 0.00 -0.24 -0.10 0.00 -0.26 0.00 0.00 64.21 63.61 3g1p n SER 68 CO 0.00 0.00 0.00 0.72 -0.16 0.00 0.00 175.04 175.60 3g1p s PHE 69 N -2.90 1.18 -0.17 7.33 -0.12 -1.26 -4.87 117.98 117.16 3g1p s PHE 69 Ca 0.16 -1.13 -0.01 0.00 -0.05 0.00 0.00 56.93 55.90 3g1p s PHE 69 Cb 0.19 -0.67 -0.22 0.00 -0.63 0.00 0.00 43.02 41.69 3g1p s PHE 69 CO 0.56 -0.35 0.15 1.04 -0.05 0.00 0.00 175.22 176.58 3g1p n GLN 70 N -0.25 0.71 -3.55 1.99 3.00 0.22 -4.97 117.38 114.52 3g1p n GLN 70 Ca -0.04 0.21 -0.09 0.00 -0.01 0.00 0.00 57.00 57.07 3g1p n GLN 70 Cb 0.64 -1.63 -0.02 0.00 0.00 0.00 0.00 30.24 29.23 3g1p n GLN 70 CO 0.00 0.00 0.00 1.14 0.00 0.00 0.00 177.06 178.20 3g1p s GLN 71 N -2.54 1.19 0.18 -1.09 0.00 -1.20 -4.36 119.66 111.83 3g1p s GLN 71 Ca -0.25 -0.51 -0.10 0.00 -0.00 0.00 0.00 55.36 54.50 3g1p s GLN 71 Cb 0.08 0.50 -0.07 0.00 0.00 0.00 0.00 33.01 33.52 3g1p s GLN 71 CO 0.71 -0.53 0.51 -0.06 0.00 0.00 0.00 175.29 175.93 3g1p s PHE 72 N -3.50 3.48 -0.19 9.60 0.08 -0.46 -1.62 117.98 125.38 3g1p s PHE 72 Ca 0.05 0.86 0.00 0.00 0.12 0.00 0.00 56.93 57.96 3g1p s PHE 72 Cb -0.02 -2.24 0.04 0.00 -0.57 0.00 0.00 43.02 40.24 3g1p s PHE 72 CO -0.07 0.35 -0.07 -1.17 -0.10 0.00 0.00 175.22 174.17 3g1p s LEU 73 N -2.52 1.94 -0.09 -0.37 2.96 0.23 -0.78 118.68 120.06 3g1p s LEU 73 Ca 0.43 -0.81 -0.03 0.00 -0.22 0.00 0.00 54.13 53.49 3g1p s LEU 73 Cb -0.12 -1.04 -0.04 0.00 0.50 0.00 0.00 46.19 45.49 3g1p s LEU 73 CO 0.21 -0.18 0.06 -0.76 -1.32 0.00 0.00 176.35 174.36 3g1p s LEU 74 N 1.53 3.90 -0.01 -0.68 1.43 0.63 -0.95 118.68 124.53 3g1p s LEU 74 Ca -0.01 0.26 -0.13 0.00 -1.03 0.00 0.00 54.13 53.22 3g1p s LEU 74 Cb -0.16 -1.97 -0.33 0.00 0.03 0.00 0.00 46.19 43.76 3g1p s LEU 74 CO -0.08 0.37 0.82 0.71 0.23 0.00 0.00 176.35 178.41 3g1p h THR 75 N 3.97 1.10 -2.09 5.49 1.35 -1.88 -3.38 112.91 117.47 3g1p h THR 75 Ca -0.52 -2.61 0.25 0.00 -0.55 0.00 0.00 66.41 62.97 3g1p h THR 75 Cb 1.20 2.88 -0.08 0.00 -1.73 0.00 0.00 68.15 70.43 3g1p h THR 75 CO 0.57 0.84 0.69 -1.38 -0.25 0.00 0.00 175.52 175.98 3g1p s HIS 76 N -2.59 -0.02 -0.33 4.73 0.00 -1.26 -1.14 115.29 114.67 3g1p s HIS 76 Ca -0.13 -0.22 0.16 0.00 -3.00 0.00 0.00 55.06 51.87 3g1p s HIS 76 Cb 0.05 0.62 0.65 0.00 -4.00 0.00 0.00 32.58 29.90 3g1p s HIS 76 CO 0.89 -0.59 1.56 0.66 -1.00 0.00 0.00 174.74 176.26 3g1p n TYR 77 N -0.61 1.42 -1.69 0.38 4.01 -1.26 -4.68 117.16 114.72 3g1p n TYR 77 Ca -0.04 -0.78 -0.40 0.00 -0.16 0.00 0.00 57.90 56.52 3g1p n TYR 77 Cb 0.61 -0.37 0.03 0.00 -0.31 0.00 0.00 39.34 39.29 3g1p n TYR 77 CO 0.00 0.00 0.00 0.72 -0.46 0.00 0.00 176.86 177.12 3g1p n HIS 78 N 0.14 1.86 -0.34 -0.72 8.25 -1.26 -4.59 115.22 118.55 3g1p n HIS 78 Ca 0.24 0.47 0.11 0.00 -0.26 0.00 0.00 57.72 58.28 3g1p n HIS 78 Cb 0.99 -2.32 0.29 0.00 1.12 0.00 0.00 29.99 30.08 3g1p n HIS 78 CO 0.00 0.00 0.00 1.98 0.64 0.00 0.00 176.34 178.96 3g1p h MET 79 N 1.57 0.75 0.00 -0.41 4.05 -1.97 0.09 114.93 119.00 3g1p h MET 79 Ca -0.48 -0.04 0.00 0.00 -0.28 0.00 0.00 59.70 58.89 3g1p h MET 79 Cb 1.31 -0.17 0.00 0.00 -0.80 0.00 0.00 31.60 31.95 3g1p h MET 79 CO 0.57 0.49 0.00 -0.40 0.23 0.00 0.00 176.91 177.80 3g1p n ASP 80 N -4.77 0.00 -0.01 1.39 5.75 -1.26 -0.59 116.55 117.06 3g1p n ASP 80 Ca 0.22 0.19 0.07 0.00 -0.01 0.00 0.00 54.79 55.26 3g1p n ASP 80 Cb 0.52 -0.36 -0.08 0.00 -1.03 0.00 0.00 41.12 40.17 3g1p n ASP 80 CO 0.00 0.00 0.00 1.41 -0.11 0.00 0.00 177.20 178.50 3g1p n HIS 81 N -1.36 0.00 -0.34 2.11 8.25 0.00 -3.89 115.22 120.00 3g1p n HIS 81 Ca 0.07 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.53 3g1p n HIS 81 Cb 0.16 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.27 3g1p n HIS 81 CO 0.00 0.00 0.00 1.33 0.64 0.00 0.00 176.34 178.31 3g1p n VAL 82 N -1.34 0.00 0.28 1.59 0.24 -0.91 -0.22 118.33 117.97 3g1p n VAL 82 Ca 0.03 -0.24 0.12 0.00 -2.04 0.00 0.00 64.34 62.21 3g1p n VAL 82 Cb 0.24 1.34 0.81 0.00 -1.47 0.00 0.00 33.84 34.76 3g1p n VAL 82 CO 0.00 0.00 0.00 0.06 -2.14 0.00 0.00 176.83 174.75 3g1p h GLN 83 N 0.00 0.00 0.00 7.34 3.07 -0.82 -0.65 115.11 124.05 3g1p h GLN 83 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.74 3g1p h GLN 83 Cb 0.17 0.00 0.00 0.00 0.08 0.00 0.00 27.48 27.73 3g1p h GLN 83 CO 0.00 0.01 0.00 0.41 0.09 0.00 0.00 178.83 179.34 3g1p n GLY 84 N -1.38 -1.20 0.14 0.06 0.00 0.22 -2.73 105.19 100.30 3g1p n GLY 84 Ca -0.03 -0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.99 3g1p n GLY 84 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 3g1p h LEU 85 N 0.00 0.00 -0.73 0.99 3.38 -1.23 -3.34 115.31 114.37 3g1p h LEU 85 Ca 0.00 0.00 0.03 0.00 0.09 0.00 0.00 57.88 58.00 3g1p h LEU 85 Cb 0.35 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.05 3g1p h LEU 85 CO 0.00 0.60 0.46 -0.26 0.09 0.00 0.00 178.44 179.33 3g1p h PHE 86 N 0.00 0.86 0.00 1.13 0.04 -1.67 -1.49 116.94 115.81 3g1p h PHE 86 Ca -0.01 0.02 0.00 0.00 2.80 0.00 0.00 57.97 60.79 3g1p h PHE 86 Cb 1.23 -0.28 0.00 0.00 2.20 0.00 0.00 35.95 39.10 3g1p h PHE 86 CO 0.00 0.49 0.00 -2.30 -0.60 0.00 0.00 178.31 175.90 3g1p n PRO 87 N -4.64 0.15 -0.10 1.51 -0.02 -1.25 -3.52 135.00 127.13 3g1p n PRO 87 Ca 0.08 0.17 -0.11 0.00 -2.02 0.00 0.00 63.50 61.63 3g1p n PRO 87 Cb 0.08 -1.50 -0.14 0.00 -0.02 0.00 0.00 33.50 31.92 3g1p n PRO 87 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 3g1p n LEU 88 N -1.35 0.58 0.26 2.45 4.77 -0.61 -4.66 117.00 118.43 3g1p n LEU 88 Ca 0.06 -0.03 0.09 0.00 -0.03 0.00 0.00 56.01 56.11 3g1p n LEU 88 Cb 0.14 0.21 0.66 0.00 -2.33 0.00 0.00 43.42 42.10 3g1p n LEU 88 CO 0.12 0.55 1.01 0.08 -1.33 0.00 0.00 177.39 177.82 3g1p h ARG 89 N 0.00 0.00 -0.72 3.23 0.11 -1.46 -0.96 114.38 114.59 3g1p h ARG 89 Ca -0.51 0.00 0.00 0.00 0.10 0.00 0.00 59.98 59.57 3g1p h ARG 89 Cb 2.09 0.00 0.00 0.00 1.11 0.00 0.00 29.97 33.17 3g1p h ARG 89 CO 0.01 0.08 0.00 0.91 0.10 0.00 0.00 179.97 181.07 3g1p n TRP 90 N -4.18 1.24 -1.37 4.08 5.03 -1.26 -1.20 117.44 119.78 3g1p n TRP 90 Ca -0.03 -0.44 -0.26 0.00 3.03 0.00 0.00 57.50 59.80 3g1p n TRP 90 Cb 0.17 -0.33 0.20 0.00 -1.03 0.00 0.00 31.31 30.32 3g1p n TRP 90 CO 0.00 0.00 0.00 0.41 -0.03 0.00 0.00 177.69 178.07 3g1p n GLY 91 N 0.47 -2.15 3.30 6.99 0.00 -0.37 -5.03 105.19 108.41 3g1p n GLY 91 Ca 0.17 -1.59 -0.35 0.00 0.00 0.00 0.00 46.02 44.25 3g1p n GLY 91 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3g1p s VAL 92 N -3.12 3.33 -4.21 1.61 1.01 -1.26 -4.80 120.40 112.97 3g1p s VAL 92 Ca 0.64 -0.51 0.00 0.00 0.00 0.00 0.00 61.98 62.12 3g1p s VAL 92 Cb -0.04 -2.52 0.00 0.00 0.00 0.00 0.00 36.38 33.82 3g1p s VAL 92 CO 0.47 0.42 0.00 0.61 0.00 0.00 0.00 175.10 176.61 3g1p n GLY 93 N 4.79 -2.60 3.80 4.51 0.00 -1.26 -4.76 105.19 109.68 3g1p n GLY 93 Ca -0.18 -1.27 -0.31 0.00 0.00 0.00 0.00 46.02 44.25 3g1p n GLY 93 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3g1p s ASP 94 N -0.20 5.18 0.50 1.61 1.01 -1.26 -4.99 116.67 118.53 3g1p s ASP 94 Ca 0.00 1.69 -0.23 0.00 0.71 0.00 0.00 52.55 54.72 3g1p s ASP 94 Cb 0.00 -2.51 -0.07 0.00 1.01 0.00 0.00 42.92 41.35 3g1p s ASP 94 CO 0.00 -1.58 1.26 -2.65 0.21 0.00 0.00 175.17 172.41 3g1p n PRO 95 N -3.13 1.68 -3.90 8.23 -0.02 -1.26 -4.91 135.00 131.69 3g1p n PRO 95 Ca 0.08 0.61 -0.35 0.00 -2.02 0.00 0.00 63.50 61.82 3g1p n PRO 95 Cb 0.53 -2.43 -0.14 0.00 -0.02 0.00 0.00 33.50 31.45 3g1p n PRO 95 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 3g1p s ILE 96 N -1.28 3.26 0.30 4.25 1.01 0.68 -4.96 121.20 124.46 3g1p s ILE 96 Ca 0.67 -0.77 -0.29 0.00 0.00 0.00 0.00 60.65 60.26 3g1p s ILE 96 Cb -0.46 -2.60 -0.10 0.00 0.01 0.00 0.00 42.46 39.31 3g1p s ILE 96 CO 0.53 0.26 1.43 -2.84 0.00 0.00 0.00 174.94 174.31 3g1p s PRO 97 N 1.41 4.25 -0.27 2.79 0.02 -1.26 -0.94 135.00 141.00 3g1p s PRO 97 Ca 0.03 2.36 0.03 0.00 0.02 0.00 0.00 61.00 63.44 3g1p s PRO 97 Cb -0.16 -3.06 0.07 0.00 0.02 0.00 0.00 34.50 31.36 3g1p s PRO 97 CO -0.03 -0.40 -0.08 0.08 -0.33 0.00 0.00 177.00 176.24 3g1p s VAL 98 N -0.53 2.15 0.09 3.83 1.01 0.02 -1.35 120.40 125.62 3g1p s VAL 98 Ca 0.56 -1.73 -0.18 0.00 0.00 0.00 0.00 61.98 60.63 3g1p s VAL 98 Cb -0.43 -2.32 -0.07 0.00 0.00 0.00 0.00 36.38 33.57 3g1p s VAL 98 CO 0.50 -0.12 0.56 -0.31 0.00 0.00 0.00 175.10 175.73 3g1p s TYR 99 N 1.08 3.76 -0.72 5.22 2.02 0.04 -3.75 117.35 125.00 3g1p s TYR 99 Ca -0.06 1.22 0.00 0.00 -0.37 0.00 0.00 57.07 57.86 3g1p s TYR 99 Cb -0.20 -2.46 0.00 0.00 -0.40 0.00 0.00 41.96 38.90 3g1p s TYR 99 CO -0.06 0.55 0.00 0.41 -1.57 0.00 0.00 175.55 174.89 3g1p n GLY 100 N 1.51 -1.33 3.77 0.71 0.00 -1.15 -0.27 105.19 108.43 3g1p n GLY 100 Ca -0.09 -1.01 -0.33 0.00 0.00 0.00 0.00 46.02 44.59 3g1p n GLY 100 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3g1p s PRO 101 N -1.60 2.71 -0.99 1.61 0.04 -1.26 -1.22 135.00 134.29 3g1p s PRO 101 Ca 0.00 1.38 -0.08 0.00 0.04 0.00 0.00 61.00 62.34 3g1p s PRO 101 Cb 0.00 -1.94 -0.15 0.00 0.04 0.00 0.00 34.50 32.45 3g1p s PRO 101 CO 0.00 -1.32 3.12 -0.35 0.04 0.00 0.00 177.00 178.49 3g1p n PRO 102 N -2.55 2.96 -2.35 0.56 -0.04 -1.26 -4.83 135.00 127.49 3g1p n PRO 102 Ca 0.10 -1.70 -0.42 0.00 -0.04 0.00 0.00 63.50 61.44 3g1p n PRO 102 Cb 0.52 -2.48 -0.03 0.00 -0.04 0.00 0.00 33.50 31.47 3g1p n PRO 102 CO 0.00 0.00 0.00 0.34 -0.04 0.00 0.00 175.50 175.80 3g1p s ASP 103 N 2.19 6.94 0.35 3.54 -1.08 -1.26 -4.92 116.67 122.44 3g1p s ASP 103 Ca 0.66 1.91 0.19 0.00 -0.52 0.00 0.00 52.55 54.79 3g1p s ASP 103 Cb 0.22 -2.55 0.36 0.00 -1.46 0.00 0.00 42.92 39.49 3g1p s ASP 103 CO -0.04 -0.68 1.58 -0.33 0.52 0.00 0.00 175.17 176.22 3g1p h GLU 104 N 7.84 0.00 0.04 4.34 4.39 -2.02 -3.33 114.58 125.85 3g1p h GLU 104 Ca -0.34 0.00 -0.35 0.00 0.34 0.00 0.00 59.36 59.01 3g1p h GLU 104 Cb 1.16 0.00 -0.05 0.00 -0.10 0.00 0.00 28.75 29.76 3g1p h GLU 104 CO 0.91 0.34 -2.09 1.04 -1.16 0.00 0.00 179.01 178.05 3g1p n GLN 105 N -3.25 0.69 0.00 2.33 3.00 -1.26 -5.06 117.38 113.83 3g1p n GLN 105 Ca 0.02 0.20 0.00 0.00 -0.01 0.00 0.00 57.00 57.21 3g1p n GLN 105 Cb 0.61 -1.66 0.00 0.00 0.00 0.00 0.00 30.24 29.19 3g1p n GLN 105 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 3g1p n GLY 106 N 1.89 1.03 2.75 1.08 0.00 -1.25 -4.71 105.19 105.98 3g1p n GLY 106 Ca -0.31 -0.78 -0.17 0.00 0.00 0.00 0.00 46.02 44.77 3g1p n GLY 106 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3g1p n ASP 108 N 4.60 0.00 -1.94 0.00 2.03 -1.26 -2.09 116.55 117.88 3g1p n ASP 108 Ca -0.19 0.00 -0.07 0.00 0.52 0.00 0.00 54.79 55.05 3g1p n ASP 108 Cb 0.50 0.00 0.29 0.00 -0.72 0.00 0.00 41.12 41.19 3g1p n ASP 108 CO 0.00 0.00 0.00 -0.90 -1.92 0.00 0.00 177.20 174.38 3g1p n ASP 109 N 1.43 4.61 -0.14 1.67 5.75 -1.26 -4.59 116.55 124.02 3g1p n ASP 109 Ca 0.00 -3.28 -0.04 0.00 -0.01 0.00 0.00 54.79 51.46 3g1p n ASP 109 Cb 0.00 -0.74 0.04 0.00 -1.03 0.00 0.00 41.12 39.39 3g1p n ASP 109 CO 0.00 0.00 0.00 -0.07 -0.11 0.00 0.00 177.20 177.02 3g1p h LEU 110 N 2.42 0.02 -0.48 -2.12 3.38 -1.69 -0.62 115.31 116.22 3g1p h LEU 110 Ca 0.29 0.07 -0.15 0.00 0.09 0.00 0.00 57.88 58.18 3g1p h LEU 110 Cb 2.33 0.10 -0.01 0.00 0.09 0.00 0.00 40.66 43.16 3g1p h LEU 110 CO 0.74 0.05 -0.36 -0.26 0.09 0.00 0.00 178.44 178.70 3g1p h PHE 111 N 0.23 1.02 -0.13 1.13 0.04 -1.82 -2.10 116.94 115.32 3g1p h PHE 111 Ca 0.21 -0.29 -0.15 0.00 2.80 0.00 0.00 57.97 60.54 3g1p h PHE 111 Cb 0.26 -0.22 -0.01 0.00 2.20 0.00 0.00 35.95 38.18 3g1p h PHE 111 CO -0.20 1.09 -0.58 -0.22 -0.60 0.00 0.00 178.31 177.79 3g1p h LYS 112 N 0.71 0.41 -2.09 1.51 3.64 -1.84 -3.37 116.57 115.55 3g1p h LYS 112 Ca 0.07 -0.27 -0.58 0.00 -1.27 0.00 0.00 60.65 58.60 3g1p h LYS 112 Cb 0.93 0.04 -0.40 0.00 -0.41 0.00 0.00 32.23 32.38 3g1p h LYS 112 CO 0.09 0.87 -0.86 0.72 -2.27 0.00 0.00 179.45 178.00 3g1p n HIS 113 N -3.92 1.56 0.60 1.91 8.25 -0.26 -4.95 115.22 118.40 3g1p n HIS 113 Ca -0.03 -3.85 0.13 0.00 -0.26 0.00 0.00 57.72 53.71 3g1p n HIS 113 Cb 0.61 -0.45 0.32 0.00 1.12 0.00 0.00 29.99 31.60 3g1p n HIS 113 CO 0.00 0.00 0.00 -0.35 0.64 0.00 0.00 176.34 176.63 3g1p n PRO 114 N 1.12 0.28 0.00 -0.41 -0.04 -0.80 -4.66 135.00 130.50 3g1p n PRO 114 Ca 0.25 0.18 0.00 0.00 -0.04 0.00 0.00 63.50 63.89 3g1p n PRO 114 Cb 0.47 -1.78 0.00 0.00 -0.04 0.00 0.00 33.50 32.16 3g1p n PRO 114 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3g1p n GLY 115 N 1.31 3.64 0.00 0.55 0.00 -1.26 -1.21 105.19 108.22 3g1p n GLY 115 Ca 0.05 -0.09 0.16 0.00 0.00 0.00 0.00 46.02 46.13 3g1p n GLY 115 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 173.32 174.79 3g1p n LEU 116 N 0.00 0.01 -4.74 0.99 -0.00 -0.34 -4.82 117.00 108.11 3g1p n LEU 116 Ca 0.00 0.05 -0.40 0.00 -0.00 0.00 0.00 56.01 55.67 3g1p n LEU 116 Cb 0.00 -0.06 -0.05 0.00 -0.00 0.00 0.00 43.42 43.31 3g1p n LEU 116 CO 0.00 0.00 0.47 -0.76 -0.00 0.00 0.00 177.39 177.10 3g1p s LEU 117 N -2.12 4.43 -0.42 1.47 1.43 -0.35 -0.23 118.68 122.90 3g1p s LEU 117 Ca 0.44 1.43 -0.03 0.00 -1.03 0.00 0.00 54.13 54.93 3g1p s LEU 117 Cb 0.22 -3.23 0.11 0.00 0.03 0.00 0.00 46.19 43.32 3g1p s LEU 117 CO 0.39 -0.01 0.22 -0.62 0.23 0.00 0.00 176.35 176.55 3g1p s ASP 118 N 0.11 5.30 0.00 2.29 -1.08 -0.12 -4.78 116.67 118.39 3g1p s ASP 118 Ca 0.39 -2.03 0.13 0.00 -0.52 0.00 0.00 52.55 50.52 3g1p s ASP 118 Cb -0.20 -1.85 0.55 0.00 -1.46 0.00 0.00 42.92 39.96 3g1p s ASP 118 CO 0.23 -0.56 1.39 0.49 0.52 0.00 0.00 175.17 177.24 3g1p n PHE 119 N 4.61 0.19 0.61 -5.34 3.72 -1.26 -0.80 117.46 119.20 3g1p n PHE 119 Ca -0.03 -0.10 0.10 0.00 -0.05 0.00 0.00 57.45 57.37 3g1p n PHE 119 Cb 0.41 0.00 0.41 0.00 -0.94 0.00 0.00 39.48 39.36 3g1p n PHE 119 CO 0.00 0.00 0.00 -1.13 -0.05 0.00 0.00 176.76 175.58 3g1p n SER 120 N -0.04 0.13 -2.26 4.37 3.41 -1.26 -4.15 113.62 113.82 3g1p n SER 120 Ca 0.11 0.52 -0.18 0.00 -0.26 0.00 0.00 58.87 59.07 3g1p n SER 120 Cb 0.19 -0.55 -0.13 0.00 -0.26 0.00 0.00 64.21 63.46 3g1p n SER 120 CO 0.00 0.00 0.00 1.41 -0.16 0.00 0.00 175.04 176.29 3g1p n HIS 121 N -1.63 0.58 -2.10 7.33 8.25 -1.25 -4.95 115.22 121.46 3g1p n HIS 121 Ca 0.04 -1.77 -0.35 0.00 -0.26 0.00 0.00 57.72 55.38 3g1p n HIS 121 Cb 0.23 -1.66 0.02 0.00 1.12 0.00 0.00 29.99 29.70 3g1p n HIS 121 CO 0.00 0.00 0.00 0.95 0.64 0.00 0.00 176.34 177.93 3g1p s THR 122 N 0.53 3.15 0.38 1.59 -4.23 -1.26 -2.96 115.64 112.84 3g1p s THR 122 Ca 0.66 0.66 0.06 0.00 -1.18 0.00 0.00 61.69 61.89 3g1p s THR 122 Cb 0.31 -3.22 -0.07 0.00 1.34 0.00 0.00 72.50 70.85 3g1p s THR 122 CO -0.05 -0.21 0.02 0.68 -0.54 0.00 0.00 174.62 174.53 3g1p s VAL 123 N -1.92 1.76 0.02 2.29 -7.23 -0.36 -4.85 120.40 110.11 3g1p s VAL 123 Ca 0.71 -2.01 0.06 0.00 -1.81 0.00 0.00 61.98 58.94 3g1p s VAL 123 Cb -0.23 -2.91 -0.02 0.00 0.56 0.00 0.00 36.38 33.78 3g1p s VAL 123 CO 0.31 -0.02 -0.19 -1.61 -0.31 0.00 0.00 175.10 173.29 3g1p s GLU 124 N -3.76 1.37 0.06 4.82 2.02 -1.26 -4.37 118.70 117.57 3g1p s GLU 124 Ca 0.35 -0.82 -0.36 0.00 0.02 0.00 0.00 54.97 54.16 3g1p s GLU 124 Cb 0.09 -1.41 -0.16 0.00 0.10 0.00 0.00 34.13 32.75 3g1p s GLU 124 CO 0.17 0.37 1.45 -2.30 0.02 0.00 0.00 175.26 174.97 3g1p n PRO 125 N 2.12 1.41 -0.95 0.39 -0.02 -1.26 -1.77 135.00 134.91 3g1p n PRO 125 Ca -0.16 0.51 0.00 0.00 -2.02 0.00 0.00 63.50 61.82 3g1p n PRO 125 Cb 0.54 -2.19 0.00 0.00 -0.02 0.00 0.00 33.50 31.82 3g1p n PRO 125 CO 0.00 0.00 0.00 1.19 1.98 0.00 0.00 175.50 178.67 3g1p n PHE 126 N 3.13 0.00 -3.55 6.00 3.72 0.03 -4.95 117.46 121.84 3g1p n PHE 126 Ca 0.19 0.00 -0.41 0.00 -0.05 0.00 0.00 57.45 57.18 3g1p n PHE 126 Cb 0.21 -1.32 -0.11 0.00 -0.94 0.00 0.00 39.48 37.32 3g1p n PHE 126 CO 0.00 0.00 0.00 0.08 -0.05 0.00 0.00 176.76 176.79 3g1p s VAL 127 N -1.40 4.95 0.32 -4.37 1.01 -0.73 -4.93 120.40 115.25 3g1p s VAL 127 Ca 0.00 -0.57 -0.29 0.00 0.00 0.00 0.00 61.98 61.12 3g1p s VAL 127 Cb 0.00 -3.67 -0.10 0.00 0.00 0.00 0.00 36.38 32.61 3g1p s VAL 127 CO 0.00 -0.15 1.32 -0.69 0.00 0.00 0.00 175.10 175.58 3g1p s VAL 128 N 1.64 2.72 0.21 2.92 1.01 -1.26 -4.38 120.40 123.27 3g1p s VAL 128 Ca 0.04 0.70 0.04 0.00 0.00 0.00 0.00 61.98 62.76 3g1p s VAL 128 Cb -0.18 -3.45 -0.05 0.00 0.00 0.00 0.00 36.38 32.70 3g1p s VAL 128 CO 0.08 0.16 -0.02 0.72 0.00 0.00 0.00 175.10 176.05 3g1p s PHE 129 N -0.98 1.50 -0.14 5.22 -0.12 -0.01 -4.96 117.98 118.48 3g1p s PHE 129 Ca 0.50 -0.90 0.00 0.00 -0.05 0.00 0.00 56.93 56.49 3g1p s PHE 129 Cb -0.40 -0.85 -0.00 0.00 -0.63 0.00 0.00 43.02 41.14 3g1p s PHE 129 CO 0.52 -0.03 -0.15 0.34 -0.05 0.00 0.00 175.22 175.84 3g1p s ASP 130 N -3.28 3.70 -0.36 1.98 2.15 -1.26 -0.49 116.67 119.11 3g1p s ASP 130 Ca 0.26 -0.44 0.01 0.00 0.43 0.00 0.00 52.55 52.81 3g1p s ASP 130 Cb 0.05 -1.56 0.10 0.00 -0.30 0.00 0.00 42.92 41.21 3g1p s ASP 130 CO 0.07 0.11 0.09 -0.76 -0.17 0.00 0.00 175.17 174.52 3g1p s LEU 131 N 0.65 4.80 -1.67 -1.34 1.43 -0.14 -4.76 118.68 117.66 3g1p s LEU 131 Ca -0.08 -1.99 -0.15 0.00 -1.03 0.00 0.00 54.13 50.87 3g1p s LEU 131 Cb -0.16 -1.71 0.13 0.00 0.03 0.00 0.00 46.19 44.49 3g1p s LEU 131 CO 0.02 -0.42 0.69 0.00 0.23 0.00 0.00 176.35 176.87 3g1p n GLN 132 N 4.42 -2.93 0.00 1.70 3.00 -1.26 -0.96 117.38 121.34 3g1p n GLN 132 Ca -0.01 0.35 0.00 0.00 -0.01 0.00 0.00 57.00 57.33 3g1p n GLN 132 Cb 0.42 -4.93 0.00 0.00 0.00 0.00 0.00 30.24 25.73 3g1p n GLN 132 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 3g1p n GLY 133 N -1.51 3.32 3.70 1.08 0.00 -1.26 -5.00 105.19 105.51 3g1p n GLY 133 Ca 0.01 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 3g1p n GLY 133 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3g1p s LEU 134 N 0.00 4.32 -0.22 0.99 2.96 -0.14 -4.93 118.68 121.66 3g1p s LEU 134 Ca 0.00 1.76 -0.19 0.00 -0.22 0.00 0.00 54.13 55.48 3g1p s LEU 134 Cb 0.00 -3.57 -0.03 0.00 0.50 0.00 0.00 46.19 43.10 3g1p s LEU 134 CO 0.00 -0.44 0.57 -1.10 -1.32 0.00 0.00 176.35 174.06 3g1p s GLN 135 N 1.58 4.16 -0.11 1.98 -1.52 -0.59 -0.96 119.66 124.20 3g1p s GLN 135 Ca 0.54 0.49 0.03 0.00 -1.95 0.00 0.00 55.36 54.47 3g1p s GLN 135 Cb -0.23 -3.60 0.01 0.00 -0.22 0.00 0.00 33.01 28.96 3g1p s GLN 135 CO 0.24 -0.26 -0.22 0.08 -0.25 0.00 0.00 175.29 174.88 3g1p s VAL 136 N 2.00 1.96 -0.19 1.09 1.01 0.35 -0.46 120.40 126.17 3g1p s VAL 136 Ca 0.25 -0.94 -0.00 0.00 0.00 0.00 0.00 61.98 61.29 3g1p s VAL 136 Cb -0.16 -1.72 0.01 0.00 0.00 0.00 0.00 36.38 34.52 3g1p s VAL 136 CO 0.09 0.54 -0.16 -0.89 0.00 0.00 0.00 175.10 174.68 3g1p s THR 137 N 0.59 2.41 0.26 3.92 2.01 -0.30 -0.83 115.64 123.70 3g1p s THR 137 Ca -0.13 -0.83 -0.29 0.00 0.31 0.00 0.00 61.69 60.74 3g1p s THR 137 Cb -0.17 -2.05 -0.09 0.00 0.01 0.00 0.00 72.50 70.20 3g1p s THR 137 CO 0.04 0.50 1.22 -2.84 -0.69 0.00 0.00 174.62 172.85 3g1p s PRO 138 N 1.34 4.48 -0.17 4.92 0.02 -1.26 -1.10 135.00 143.23 3g1p s PRO 138 Ca 0.05 1.98 0.00 0.00 0.02 0.00 0.00 61.00 63.05 3g1p s PRO 138 Cb -0.13 -3.17 0.04 0.00 0.02 0.00 0.00 34.50 31.25 3g1p s PRO 138 CO -0.10 -0.05 -0.09 -0.51 -0.33 0.00 0.00 177.00 175.92 3g1p s LEU 139 N -1.01 1.84 0.33 -5.54 1.43 0.62 -0.79 118.68 115.55 3g1p s LEU 139 Ca 0.50 -0.69 -0.29 0.00 -1.03 0.00 0.00 54.13 52.62 3g1p s LEU 139 Cb -0.35 -1.07 -0.11 0.00 0.03 0.00 0.00 46.19 44.69 3g1p s LEU 139 CO 0.43 -0.14 1.48 -2.84 0.23 0.00 0.00 176.35 175.51 3g1p s PRO 140 N 1.53 4.17 0.41 1.29 0.02 -1.26 -0.65 135.00 140.50 3g1p s PRO 140 Ca 0.01 2.49 0.07 0.00 0.02 0.00 0.00 61.00 63.59 3g1p s PRO 140 Cb -0.15 -3.02 -0.05 0.00 0.02 0.00 0.00 34.50 31.30 3g1p s PRO 140 CO -0.08 -0.50 0.16 -0.51 -0.33 0.00 0.00 177.00 175.74 3g1p s LEU 141 N -1.40 3.09 -0.51 -5.54 1.43 -0.49 -4.52 118.68 110.74 3g1p s LEU 141 Ca 0.56 -1.11 -0.17 0.00 -1.03 0.00 0.00 54.13 52.37 3g1p s LEU 141 Cb -0.45 -1.38 0.08 0.00 0.03 0.00 0.00 46.19 44.46 3g1p s LEU 141 CO 0.55 -0.54 0.55 0.20 0.23 0.00 0.00 176.35 177.34 3g1p s ASN 142 N -3.89 6.19 0.16 2.29 0.01 -1.26 -4.70 114.94 113.74 3g1p s ASN 142 Ca 0.40 -1.25 -0.23 0.00 -0.71 0.00 0.00 52.86 51.07 3g1p s ASN 142 Cb 0.04 -2.25 0.07 0.00 0.41 0.00 0.00 41.25 39.52 3g1p s ASN 142 CO 0.22 -0.85 0.66 -2.28 -1.51 0.00 0.00 177.10 173.35 3g1p s HIS 143 N 2.19 -0.45 -0.24 2.20 2.46 -1.26 -1.21 115.29 118.98 3g1p s HIS 143 Ca 0.09 0.20 0.28 0.00 0.47 0.00 0.00 55.06 56.11 3g1p s HIS 143 Cb -0.23 0.59 1.11 0.00 -0.13 0.00 0.00 32.58 33.91 3g1p s HIS 143 CO 0.08 -0.88 1.83 0.66 -2.47 0.00 0.00 174.74 173.96 3g1p h SER 144 N 2.00 0.00 -2.17 9.88 4.64 -1.91 -3.42 113.55 122.56 3g1p h SER 144 Ca -0.30 0.00 -0.58 0.00 -0.47 0.00 0.00 61.79 60.45 3g1p h SER 144 Cb 1.29 0.00 -0.11 0.00 -0.31 0.00 0.00 62.40 63.27 3g1p h SER 144 CO 0.34 0.00 -0.68 -0.54 -0.87 0.00 0.00 176.83 175.09 3g1p s LYS 145 N -3.45 2.09 -0.09 4.77 1.02 -1.26 -5.07 119.74 117.75 3g1p s LYS 145 Ca 0.03 -1.56 -0.31 0.00 0.02 0.00 0.00 55.97 54.16 3g1p s LYS 145 Cb 0.09 -2.02 -0.09 0.00 -0.52 0.00 0.00 37.83 35.29 3g1p s LYS 145 CO 0.49 0.33 2.03 -0.11 -0.92 0.00 0.00 175.35 177.17 3g1p n LEU 146 N -0.82 3.61 -3.83 3.17 7.94 -1.26 -4.94 117.00 120.87 3g1p n LEU 146 Ca -0.06 0.71 -0.17 0.00 -1.11 0.00 0.00 56.01 55.38 3g1p n LEU 146 Cb 0.60 -1.47 -0.16 0.00 0.53 0.00 0.00 43.42 42.91 3g1p n LEU 146 CO 0.40 -0.15 -0.38 -0.89 -1.11 0.00 0.00 177.39 175.26 3g1p s THR 147 N 5.53 0.23 -0.08 1.96 2.01 -1.26 -4.58 115.64 119.45 3g1p s THR 147 Ca 0.94 0.05 0.02 0.00 0.31 0.00 0.00 61.69 63.02 3g1p s THR 147 Cb -0.51 -0.31 -0.02 0.00 0.01 0.00 0.00 72.50 71.67 3g1p s THR 147 CO 0.44 0.15 -0.14 -0.36 -0.69 0.00 0.00 174.62 174.02 3g1p s PHE 148 N 1.00 2.75 0.67 4.92 0.08 -0.29 -1.40 117.98 125.70 3g1p s PHE 148 Ca -0.10 -0.31 -0.01 0.00 0.12 0.00 0.00 56.93 56.63 3g1p s PHE 148 Cb -0.14 -1.71 0.13 0.00 -0.57 0.00 0.00 43.02 40.74 3g1p s PHE 148 CO -0.01 0.06 0.91 0.41 -0.10 0.00 0.00 175.22 176.49 3g1p n GLY 149 N 2.72 0.61 2.88 4.36 0.00 0.17 -4.39 105.19 111.54 3g1p n GLY 149 Ca -0.18 -2.02 -0.13 0.00 0.00 0.00 0.00 46.02 43.69 3g1p n GLY 149 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3g1p s TYR 150 N -2.80 -0.05 -0.08 1.61 2.02 -0.34 -0.28 117.35 117.42 3g1p s TYR 150 Ca 0.60 0.21 -0.20 0.00 -0.37 0.00 0.00 57.07 57.31 3g1p s TYR 150 Cb -0.03 -0.08 -0.04 0.00 -0.40 0.00 0.00 41.96 41.40 3g1p s TYR 150 CO 0.40 -0.07 0.56 -1.17 -1.57 0.00 0.00 175.55 173.70 3g1p s LEU 151 N 0.58 4.31 -0.19 -1.29 2.96 -0.26 -0.59 118.68 124.20 3g1p s LEU 151 Ca -0.05 0.98 -0.02 0.00 -0.22 0.00 0.00 54.13 54.82 3g1p s LEU 151 Cb -0.06 -2.84 -0.01 0.00 0.50 0.00 0.00 46.19 43.78 3g1p s LEU 151 CO -0.02 -0.01 -0.08 -0.76 -1.32 0.00 0.00 176.35 174.16 3g1p s LEU 152 N 0.52 2.79 -0.02 -0.68 1.43 0.76 -1.15 118.68 122.33 3g1p s LEU 152 Ca 0.30 -0.38 0.02 0.00 -1.03 0.00 0.00 54.13 53.03 3g1p s LEU 152 Cb -0.16 -1.68 0.01 0.00 0.03 0.00 0.00 46.19 44.38 3g1p s LEU 152 CO 0.14 0.04 -0.06 -0.70 0.23 0.00 0.00 176.35 176.00 3g1p s GLU 153 N 1.08 0.70 0.09 1.70 2.12 0.40 -0.80 118.70 123.98 3g1p s GLU 153 Ca 0.00 -0.19 0.00 0.00 0.36 0.00 0.00 54.97 55.14 3g1p s GLU 153 Cb -0.15 -0.68 0.00 0.00 0.26 0.00 0.00 34.13 33.56 3g1p s GLU 153 CO -0.01 0.05 0.00 0.25 -0.54 0.00 0.00 175.26 175.01 3g1p n THR 154 N 3.40 0.00 -0.34 -1.70 -2.24 -0.35 -1.54 114.28 111.51 3g1p n THR 154 Ca -0.19 -0.45 0.08 0.00 -2.27 0.00 0.00 64.05 61.22 3g1p n THR 154 Cb 0.54 0.09 0.25 0.00 -2.10 0.00 0.00 70.33 69.11 3g1p n THR 154 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3g1p h ALA 155 N 1.05 1.45 0.00 6.98 0.00 -2.01 -3.28 119.26 123.46 3g1p h ALA 155 Ca -0.08 0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.88 3g1p h ALA 155 Cb 0.24 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 17.90 3g1p h ALA 155 CO 0.13 0.08 0.00 -2.39 0.00 0.00 0.00 179.25 177.07 3g1p n HIS 156 N -4.73 0.00 -4.34 0.00 1.44 -1.26 -5.07 115.22 101.26 3g1p n HIS 156 Ca 0.19 0.00 -0.26 0.00 -2.01 0.00 0.00 57.72 55.63 3g1p n HIS 156 Cb 0.41 0.00 -0.13 0.00 0.12 0.00 0.00 29.99 30.40 3g1p n HIS 156 CO 0.00 0.00 0.00 -1.12 -2.81 0.00 0.00 176.34 172.41 3g1p s SER 157 N -0.79 2.94 -0.06 4.39 0.01 -1.24 -5.08 113.70 113.87 3g1p s SER 157 Ca 0.00 -0.72 -0.03 0.00 1.31 0.00 0.00 55.95 56.51 3g1p s SER 157 Cb 0.00 -0.18 0.04 0.00 0.21 0.00 0.00 66.02 66.09 3g1p s SER 157 CO 0.00 0.12 0.12 -0.60 0.41 0.00 0.00 173.24 173.29 3g1p s ARG 158 N -2.00 -0.01 -0.04 12.44 3.52 -1.26 -1.22 118.95 130.39 3g1p s ARG 158 Ca 0.10 0.47 0.03 0.00 -0.13 0.00 0.00 55.73 56.21 3g1p s ARG 158 Cb -0.10 -0.35 -0.00 0.00 -1.56 0.00 0.00 34.95 32.94 3g1p s ARG 158 CO 0.05 -0.30 -0.14 0.08 -0.81 0.00 0.00 175.30 174.18 3g1p s VAL 159 N 2.14 1.15 -0.12 7.11 1.01 0.01 -1.04 120.40 130.66 3g1p s VAL 159 Ca 0.03 -0.56 -0.02 0.00 0.00 0.00 0.00 61.98 61.42 3g1p s VAL 159 Cb -0.12 -1.00 -0.03 0.00 0.00 0.00 0.00 36.38 35.23 3g1p s VAL 159 CO -0.05 0.34 -0.03 0.00 0.00 0.00 0.00 175.10 175.37 3g1p s ALA 160 N 0.11 3.11 -0.33 5.51 0.00 -0.27 -0.17 121.76 129.71 3g1p s ALA 160 Ca -0.03 -0.83 -0.03 0.00 0.00 0.00 0.00 51.96 51.07 3g1p s ALA 160 Cb -0.10 -1.48 0.06 0.00 0.00 0.00 0.00 23.12 21.60 3g1p s ALA 160 CO 0.01 0.41 0.07 -0.46 0.00 0.00 0.00 175.76 175.80 3g1p s TRP 161 N -0.30 3.32 -0.63 0.00 -0.11 0.24 -0.42 118.94 121.04 3g1p s TRP 161 Ca 0.05 -1.83 0.05 0.00 1.22 0.00 0.00 56.10 55.59 3g1p s TRP 161 Cb -0.12 -2.38 0.17 0.00 -1.50 0.00 0.00 33.47 29.63 3g1p s TRP 161 CO 0.02 -0.81 0.44 -0.51 -4.62 0.00 0.00 176.95 171.47 3g1p s LEU 162 N 1.28 4.10 -0.08 5.86 1.43 0.72 -1.20 118.68 130.79 3g1p s LEU 162 Ca -0.02 -3.61 -0.18 0.00 -1.03 0.00 0.00 54.13 49.29 3g1p s LEU 162 Cb -0.20 -1.40 0.04 0.00 0.03 0.00 0.00 46.19 44.66 3g1p s LEU 162 CO -0.00 -0.12 0.43 -0.55 0.23 0.00 0.00 176.35 176.34 3g1p s SER 163 N -1.04 -0.38 0.04 2.29 0.15 -1.26 -1.31 113.70 112.18 3g1p s SER 163 Ca 0.25 0.52 -0.15 0.00 0.70 0.00 0.00 55.95 57.28 3g1p s SER 163 Cb -0.05 0.60 -0.06 0.00 -1.71 0.00 0.00 66.02 64.79 3g1p s SER 163 CO -0.15 -0.36 0.46 -1.81 1.20 0.00 0.00 173.24 172.58 3g1p s ASP 164 N -0.68 6.86 -0.04 5.45 1.01 -1.26 -4.70 116.67 123.31 3g1p s ASP 164 Ca -0.08 1.04 -0.30 0.00 0.71 0.00 0.00 52.55 53.92 3g1p s ASP 164 Cb -0.03 -2.28 0.07 0.00 1.01 0.00 0.00 42.92 41.69 3g1p s ASP 164 CO 0.04 0.28 0.69 0.28 0.21 0.00 0.00 175.17 176.67 3g1p s THR 165 N -1.16 0.00 -0.33 -1.27 -1.32 -1.25 -4.62 115.64 105.70 3g1p s THR 165 Ca 0.27 0.00 -0.00 0.00 -1.21 0.00 0.00 61.69 60.75 3g1p s THR 165 Cb -0.17 -1.00 0.08 0.00 -1.51 0.00 0.00 72.50 69.90 3g1p s THR 165 CO 0.16 0.00 0.05 0.00 -2.21 0.00 0.00 174.62 172.61 3g1p s ALA 166 N -1.44 2.88 0.13 11.08 0.00 -0.35 -1.10 121.76 132.97 3g1p s ALA 166 Ca -0.09 -2.12 0.00 0.00 0.00 0.00 0.00 51.96 49.75 3g1p s ALA 166 Cb -0.00 -2.01 0.00 0.00 0.00 0.00 0.00 23.12 21.11 3g1p s ALA 166 CO 0.07 -1.48 0.00 0.41 0.00 0.00 0.00 175.76 174.76 3g1p n GLY 167 N 4.51 -1.78 3.07 0.00 0.00 -1.26 -4.60 105.19 105.12 3g1p n GLY 167 Ca -0.07 -1.24 -0.20 0.00 0.00 0.00 0.00 46.02 44.51 3g1p n GLY 167 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3g1p s LEU 168 N 0.00 2.04 0.68 0.99 1.43 -1.26 -4.32 118.68 118.24 3g1p s LEU 168 Ca 0.00 -0.23 -0.17 0.00 -1.03 0.00 0.00 54.13 52.70 3g1p s LEU 168 Cb 0.00 -0.58 0.00 0.00 0.03 0.00 0.00 46.19 45.64 3g1p s LEU 168 CO 0.00 0.13 1.18 -2.65 0.23 0.00 0.00 176.35 175.23 3g1p n PRO 169 N 2.70 0.85 -0.16 1.29 -0.02 -1.26 -4.70 135.00 133.70 3g1p n PRO 169 Ca -0.14 0.35 -0.02 0.00 -2.02 0.00 0.00 63.50 61.66 3g1p n PRO 169 Cb 0.56 -2.42 0.06 0.00 -0.02 0.00 0.00 33.50 31.69 3g1p n PRO 169 CO 0.00 0.00 0.00 1.49 1.98 0.00 0.00 175.50 178.97 3g1p h GLU 170 N 0.18 0.15 -0.46 -0.52 4.81 -1.99 -0.32 114.58 116.44 3g1p h GLU 170 Ca -0.49 -0.01 -0.08 0.00 -0.13 0.00 0.00 59.36 58.65 3g1p h GLU 170 Cb 1.34 -0.03 -0.02 0.00 0.63 0.00 0.00 28.75 30.66 3g1p h GLU 170 CO 0.51 0.10 -0.03 -0.22 -0.73 0.00 0.00 179.01 178.64 3g1p h LYS 171 N 0.16 0.77 -0.28 1.92 3.64 -1.98 -0.68 116.57 120.12 3g1p h LYS 171 Ca 0.26 -0.21 -0.06 0.00 -1.27 0.00 0.00 60.65 59.36 3g1p h LYS 171 Cb 0.38 -0.08 -0.01 0.00 -0.41 0.00 0.00 32.23 32.10 3g1p h LYS 171 CO -0.39 0.79 -0.07 1.15 -2.27 0.00 0.00 179.45 178.66 3g1p h THR 172 N 0.71 1.28 -0.09 1.00 2.02 -1.69 -0.96 112.91 115.19 3g1p h THR 172 Ca 0.14 -1.11 0.02 0.00 0.77 0.00 0.00 66.41 66.23 3g1p h THR 172 Cb 0.48 1.42 -0.02 0.00 -1.74 0.00 0.00 68.15 68.29 3g1p h THR 172 CO 0.02 0.35 -0.03 0.25 0.37 0.00 0.00 175.52 176.49 3g1p h LEU 173 N 0.31 -0.09 -0.88 2.58 5.85 -0.86 -1.00 115.31 121.22 3g1p h LEU 173 Ca 0.07 0.03 -0.01 0.00 0.84 0.00 0.00 57.88 58.81 3g1p h LEU 173 Cb 0.56 0.06 -0.04 0.00 0.37 0.00 0.00 40.66 41.60 3g1p h LEU 173 CO 0.03 -0.03 0.50 0.50 -0.34 0.00 0.00 178.44 179.10 3g1p h LYS 174 N -0.01 1.21 -0.66 1.25 3.64 -1.13 -0.84 116.57 120.04 3g1p h LYS 174 Ca 0.04 -0.13 -0.00 0.00 -1.27 0.00 0.00 60.65 59.29 3g1p h LYS 174 Cb 0.07 -0.24 -0.03 0.00 -0.41 0.00 0.00 32.23 31.61 3g1p h LYS 174 CO -0.09 0.87 0.40 0.35 -2.27 0.00 0.00 179.45 178.71 3g1p h PHE 175 N 1.22 0.87 -0.42 1.91 3.57 -0.82 -0.85 116.94 122.42 3g1p h PHE 175 Ca 0.31 -0.00 -0.11 0.00 3.53 0.00 0.00 57.97 61.70 3g1p h PHE 175 Cb -0.01 -0.29 -0.02 0.00 2.79 0.00 0.00 35.95 38.43 3g1p h PHE 175 CO 0.00 0.58 -0.18 -0.07 -2.23 0.00 0.00 178.31 176.42 3g1p h LEU 176 N 0.90 0.80 -0.98 0.59 3.38 -0.77 0.46 115.31 119.68 3g1p h LEU 176 Ca 0.24 -0.27 -0.02 0.00 0.09 0.00 0.00 57.88 57.92 3g1p h LEU 176 Cb -0.03 -0.22 -0.04 0.00 0.09 0.00 0.00 40.66 40.46 3g1p h LEU 176 CO -0.05 0.98 0.45 -0.09 0.09 0.00 0.00 178.44 179.82 3g1p h ARG 177 N 0.70 1.17 0.00 1.13 2.43 -0.78 -2.68 114.38 116.34 3g1p h ARG 177 Ca 0.11 -0.14 0.00 0.00 -0.81 0.00 0.00 59.98 59.14 3g1p h ARG 177 Cb 0.69 -0.23 0.00 0.00 -0.42 0.00 0.00 29.97 30.01 3g1p h ARG 177 CO 0.05 0.86 -0.10 0.09 -1.51 0.00 0.00 179.97 179.36 3g1p n ASN 178 N -4.34 0.74 -3.15 -3.80 3.02 -0.36 -3.95 115.26 103.42 3g1p n ASN 178 Ca 0.09 0.49 -0.23 0.00 -0.03 0.00 0.00 54.58 54.90 3g1p n ASN 178 Cb 0.10 -0.62 -0.05 0.00 -0.61 0.00 0.00 39.78 38.61 3g1p n ASN 178 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 3g1p n ASN 179 N -2.18 2.16 -4.67 6.41 3.02 0.12 -5.08 115.26 115.04 3g1p n ASN 179 Ca 0.05 -3.20 -0.45 0.00 -0.03 0.00 0.00 54.58 50.95 3g1p n ASN 179 Cb 0.42 -0.61 -0.04 0.00 -0.61 0.00 0.00 39.78 38.94 3g1p n ASN 179 CO 0.00 0.00 0.00 1.67 -2.62 0.00 0.00 177.26 176.31 3g1p n GLN 180 N 0.43 2.58 -2.61 3.52 7.27 -1.04 -4.74 117.38 122.78 3g1p n GLN 180 Ca 0.27 0.94 -0.40 0.00 0.07 0.00 0.00 57.00 57.88 3g1p n GLN 180 Cb 0.52 -2.84 -0.05 0.00 2.41 0.00 0.00 30.24 30.28 3g1p n GLN 180 CO 0.00 0.00 0.00 -2.14 0.07 0.00 0.00 177.06 174.99 3g1p s PRO 181 N 3.89 4.73 0.34 3.69 0.02 -1.26 -4.88 135.00 141.52 3g1p s PRO 181 Ca 0.89 1.63 0.14 0.00 0.02 0.00 0.00 61.00 63.68 3g1p s PRO 181 Cb -0.55 -3.26 0.60 0.00 0.02 0.00 0.00 34.50 31.32 3g1p s PRO 181 CO 0.45 0.31 1.73 1.96 -0.33 0.00 0.00 177.00 181.12 3g1p h GLN 182 N 4.31 0.00 -4.03 5.54 4.20 -1.44 -3.38 115.11 120.32 3g1p h GLN 182 Ca -0.45 0.00 -0.38 0.00 0.06 0.00 0.00 58.65 57.87 3g1p h GLN 182 Cb 1.21 0.00 -0.33 0.00 0.30 0.00 0.00 27.48 28.66 3g1p h GLN 182 CO 0.69 0.46 -0.77 0.08 -0.67 0.00 0.00 178.83 178.62 3g1p s VAL 183 N -3.82 0.45 -0.21 -0.54 1.01 -1.19 -3.25 120.40 112.85 3g1p s VAL 183 Ca -0.02 -0.11 0.01 0.00 0.00 0.00 0.00 61.98 61.87 3g1p s VAL 183 Cb 0.13 -0.48 0.05 0.00 0.00 0.00 0.00 36.38 36.08 3g1p s VAL 183 CO 0.72 0.19 -0.11 -0.32 0.00 0.00 0.00 175.10 175.59 3g1p s MET 184 N 0.74 2.13 -0.27 2.72 1.75 -0.46 -1.12 119.30 124.80 3g1p s MET 184 Ca -0.09 -0.96 -0.20 0.00 -1.25 0.00 0.00 55.69 53.18 3g1p s MET 184 Cb -0.12 -2.55 -0.02 0.00 2.84 0.00 0.00 34.83 34.98 3g1p s MET 184 CO -0.00 -0.45 0.61 0.08 -0.65 0.00 0.00 175.02 174.61 3g1p s VAL 185 N 1.32 4.98 -0.05 10.11 1.01 0.44 -0.64 120.40 137.57 3g1p s VAL 185 Ca -0.03 1.00 0.02 0.00 0.00 0.00 0.00 61.98 62.97 3g1p s VAL 185 Cb -0.17 -3.94 0.01 0.00 0.00 0.00 0.00 36.38 32.28 3g1p s VAL 185 CO -0.08 -0.02 -0.09 -0.32 0.00 0.00 0.00 175.10 174.59 3g1p s MET 186 N 2.51 1.22 -0.05 2.72 0.00 -0.32 -0.20 119.30 125.18 3g1p s MET 186 Ca 0.25 -0.29 -0.34 0.00 0.00 0.00 0.00 55.69 55.32 3g1p s MET 186 Cb -0.15 -1.09 -0.12 0.00 0.00 0.00 0.00 34.83 33.47 3g1p s MET 186 CO 0.10 0.02 1.87 -3.47 0.00 0.00 0.00 175.02 173.53 3g1p n ASP 187 N 3.74 3.52 -3.35 1.11 -0.08 -0.43 -0.93 116.55 120.13 3g1p n ASP 187 Ca -0.23 0.97 -0.24 0.00 -1.51 0.00 0.00 54.79 53.78 3g1p n ASP 187 Cb 0.52 -1.40 -0.09 0.00 2.34 0.00 0.00 41.12 42.49 3g1p n ASP 187 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 3g1p h SER 189 N 6.08 0.61 -3.62 0.00 0.02 -1.31 -3.38 113.55 111.95 3g1p h SER 189 Ca 0.18 -0.37 -0.67 0.00 -0.84 0.00 0.00 61.79 60.08 3g1p h SER 189 Cb 0.96 -0.18 -0.19 0.00 0.14 0.00 0.00 62.40 63.13 3g1p h SER 189 CO 0.29 1.11 -0.81 -1.00 -1.14 0.00 0.00 176.83 175.28 3g1p s HIS 190 N -3.78 2.46 1.04 3.45 3.76 -1.09 -1.81 115.29 119.32 3g1p s HIS 190 Ca -0.07 -0.30 -0.12 0.00 -0.15 0.00 0.00 55.06 54.42 3g1p s HIS 190 Cb 0.10 -1.29 0.21 0.00 1.11 0.00 0.00 32.58 32.72 3g1p s HIS 190 CO 0.85 0.40 1.07 -1.25 -0.85 0.00 0.00 174.74 174.97 3g1p s PRO 191 N -2.27 0.09 0.17 8.40 0.04 -1.26 -1.76 135.00 138.41 3g1p s PRO 191 Ca 0.18 0.77 -0.33 0.00 0.04 0.00 0.00 61.00 61.65 3g1p s PRO 191 Cb -0.10 -1.68 -0.15 0.00 0.04 0.00 0.00 34.50 32.61 3g1p s PRO 191 CO 0.10 -3.03 1.29 -2.30 0.04 0.00 0.00 177.00 173.10 3g1p n PRO 192 N -4.42 1.43 -4.27 0.56 -0.02 -1.26 -4.11 135.00 122.91 3g1p n PRO 192 Ca 0.05 0.51 -0.15 0.00 -2.02 0.00 0.00 63.50 61.89 3g1p n PRO 192 Cb 0.55 -2.10 -0.10 0.00 -0.02 0.00 0.00 33.50 31.84 3g1p n PRO 192 CO 0.00 0.00 0.00 1.03 1.98 0.00 0.00 175.50 178.51 3g1p s ARG 193 N -0.08 1.18 -0.12 -0.52 1.81 -1.26 -4.96 118.95 115.01 3g1p s ARG 193 Ca 0.75 -1.58 -0.03 0.00 -1.72 0.00 0.00 55.73 53.15 3g1p s ARG 193 Cb -0.82 -0.38 0.05 0.00 -0.45 0.00 0.00 34.95 33.34 3g1p s ARG 193 CO 0.49 -0.12 0.06 0.00 -0.68 0.00 0.00 175.30 175.05 3g1p s ALA 194 N -3.58 0.52 0.00 2.13 0.00 -1.26 -4.84 121.76 114.74 3g1p s ALA 194 Ca 0.25 -0.20 0.00 0.00 0.00 0.00 0.00 51.96 52.01 3g1p s ALA 194 Cb 0.06 -0.89 0.00 0.00 0.00 0.00 0.00 23.12 22.29 3g1p s ALA 194 CO 0.06 -0.85 0.00 -3.47 0.00 0.00 0.00 175.76 171.50 3g1p n ASP 195 N 5.22 0.00 0.00 0.00 4.64 -1.26 -5.11 116.55 120.04 3g1p n ASP 195 Ca -0.06 0.00 0.00 0.00 -1.38 0.00 0.00 54.79 53.35 3g1p n ASP 195 Cb 0.49 0.00 0.00 0.00 -1.04 0.00 0.00 41.12 40.57 3g1p n ASP 195 CO 0.00 0.00 0.00 0.00 -0.82 0.00 0.00 177.20 176.38 3g1p n ALA 196 N -3.00 0.00 -1.56 -1.67 0.00 -1.26 -4.95 120.51 108.06 3g1p n ALA 196 Ca 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 53.44 53.32 3g1p n ALA 196 Cb 0.00 0.00 0.11 0.00 0.00 0.00 0.00 19.45 19.56 3g1p n ALA 196 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 3g1p n PRO 197 N 14.00 -0.68 0.03 0.00 -0.02 -1.26 -4.66 135.00 142.41 3g1p n PRO 197 Ca 0.00 -1.17 -0.21 0.00 -2.02 0.00 0.00 63.50 60.10 3g1p n PRO 197 Cb 0.00 -0.75 -0.14 0.00 -0.02 0.00 0.00 33.50 32.59 3g1p n PRO 197 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3g1p h ARG 198 N 0.00 0.28 0.00 -0.52 3.08 -1.96 -3.42 114.38 111.83 3g1p h ARG 198 Ca -0.24 -0.48 0.00 0.00 0.07 0.00 0.00 59.98 59.34 3g1p h ARG 198 Cb 0.66 0.18 0.00 0.00 0.08 0.00 0.00 29.97 30.89 3g1p h ARG 198 CO 0.17 1.23 -1.01 0.09 -1.07 0.00 0.00 179.97 179.38 3g1p n ASN 199 N -3.91 3.30 -3.89 7.04 4.13 -1.26 -4.62 115.26 116.04 3g1p n ASN 199 Ca -0.23 -0.11 -0.11 0.00 1.68 0.00 0.00 54.58 55.81 3g1p n ASN 199 Cb 0.91 1.16 -0.13 0.00 -1.54 0.00 0.00 39.78 40.18 3g1p n ASN 199 CO 0.00 0.00 0.00 -1.00 0.28 0.00 0.00 177.26 176.54 3g1p s HIS 200 N -2.12 0.05 0.68 3.10 3.76 -1.26 -3.31 115.29 116.19 3g1p s HIS 200 Ca -0.01 -0.10 -0.17 0.00 -0.15 0.00 0.00 55.06 54.64 3g1p s HIS 200 Cb 0.03 -0.05 0.01 0.00 1.11 0.00 0.00 32.58 33.68 3g1p s HIS 200 CO 0.18 -0.07 1.25 0.00 -0.85 0.00 0.00 174.74 175.24 3g1p s ASP 202 N -1.70 5.19 0.32 0.00 -4.77 -1.26 -1.48 116.67 112.97 3g1p s ASP 202 Ca 0.78 -0.75 0.01 0.00 -3.30 0.00 0.00 52.55 49.29 3g1p s ASP 202 Cb -0.33 -0.18 0.53 0.00 -1.09 0.00 0.00 42.92 41.85 3g1p s ASP 202 CO 0.41 -0.97 1.93 0.25 0.70 0.00 0.00 175.17 177.49 3g1p h LEU 203 N 0.60 0.75 -1.17 2.11 5.85 -1.49 -1.80 115.31 120.15 3g1p h LEU 203 Ca -0.37 -0.07 -0.05 0.00 0.84 0.00 0.00 57.88 58.24 3g1p h LEU 203 Cb 1.28 -0.19 -0.02 0.00 0.37 0.00 0.00 40.66 42.10 3g1p h LEU 203 CO 0.48 0.63 0.03 0.78 -0.34 0.00 0.00 178.44 180.02 3g1p h ASN 204 N 0.84 0.57 -0.36 1.25 2.35 -1.88 -0.83 115.58 117.52 3g1p h ASN 204 Ca 0.21 -0.10 -0.09 0.00 -0.55 0.00 0.00 56.30 55.77 3g1p h ASN 204 Cb 0.07 -0.15 -0.01 0.00 0.05 0.00 0.00 38.32 38.28 3g1p h ASN 204 CO -0.03 0.62 -0.11 0.74 -1.65 0.00 0.00 177.43 177.00 3g1p h THR 205 N 0.58 1.28 -0.74 2.81 2.02 -1.66 -0.57 112.91 116.63 3g1p h THR 205 Ca 0.13 -1.19 -0.04 0.00 0.77 0.00 0.00 66.41 66.07 3g1p h THR 205 Cb 0.32 1.30 -0.03 0.00 -1.74 0.00 0.00 68.15 68.00 3g1p h THR 205 CO 0.01 0.39 0.29 0.58 0.37 0.00 0.00 175.52 177.16 3g1p h VAL 206 N 0.50 1.25 -0.48 3.16 2.07 -1.11 -0.62 116.25 121.03 3g1p h VAL 206 Ca 0.09 -0.80 -0.00 0.00 0.82 0.00 0.00 66.70 66.80 3g1p h VAL 206 Cb 0.62 0.40 -0.02 0.00 -1.52 0.00 0.00 31.29 30.77 3g1p h VAL 206 CO 0.04 0.32 0.29 -0.07 0.02 0.00 0.00 177.57 178.17 3g1p h LEU 207 N 1.06 0.58 -0.86 2.57 3.38 -1.02 -1.29 115.31 119.74 3g1p h LEU 207 Ca 0.24 -0.06 0.00 0.00 0.09 0.00 0.00 57.88 58.16 3g1p h LEU 207 Cb 0.22 -0.15 -0.04 0.00 0.09 0.00 0.00 40.66 40.78 3g1p h LEU 207 CO -0.02 0.47 0.54 0.00 0.09 0.00 0.00 178.44 179.52 3g1p h ALA 208 N 1.14 1.09 -0.67 1.53 0.00 -0.71 -1.49 119.26 120.15 3g1p h ALA 208 Ca 0.17 -0.08 -0.08 0.00 0.00 0.00 0.00 54.91 54.92 3g1p h ALA 208 Cb -0.01 -0.35 -0.03 0.00 0.00 0.00 0.00 17.79 17.41 3g1p h ALA 208 CO -0.03 0.53 0.09 -0.07 0.00 0.00 0.00 179.25 179.77 3g1p h LEU 209 N 1.18 1.07 -0.14 0.00 3.38 -0.75 -2.87 115.31 117.17 3g1p h LEU 209 Ca 0.31 -0.27 0.00 0.00 0.09 0.00 0.00 57.88 58.01 3g1p h LEU 209 Cb -0.09 -0.29 0.00 0.00 0.09 0.00 0.00 40.66 40.38 3g1p h LEU 209 CO -0.06 1.07 0.00 -1.13 0.09 0.00 0.00 178.44 178.41 3g1p h ASN 210 N 1.04 0.00 -0.33 -0.43 -1.24 -0.85 -1.00 115.58 112.77 3g1p h ASN 210 Ca 0.20 0.00 0.05 0.00 0.71 0.00 0.00 56.30 57.26 3g1p h ASN 210 Cb 0.47 0.00 -0.02 0.00 0.73 0.00 0.00 38.32 39.50 3g1p h ASN 210 CO 0.02 0.00 0.22 1.56 -1.29 0.00 0.00 177.43 177.94 3g1p h GLN 211 N 0.00 0.21 0.00 6.67 4.20 -1.05 0.11 115.11 125.26 3g1p h GLN 211 Ca 0.00 -0.01 -0.21 0.00 0.06 0.00 0.00 58.65 58.49 3g1p h GLN 211 Cb 0.70 -0.05 -0.03 0.00 0.30 0.00 0.00 27.48 28.40 3g1p h GLN 211 CO 0.00 0.14 -1.19 0.28 -0.67 0.00 0.00 178.83 177.39 3g1p h VAL 212 N 0.21 0.83 -0.11 -0.54 2.07 -1.44 -3.41 116.25 113.87 3g1p h VAL 212 Ca 0.14 -2.07 -0.20 0.00 0.82 0.00 0.00 66.70 65.39 3g1p h VAL 212 Cb 0.30 2.02 0.00 0.00 -1.52 0.00 0.00 31.29 32.09 3g1p h VAL 212 CO -0.03 0.28 -0.76 0.40 0.02 0.00 0.00 177.57 177.49 3g1p h ILE 213 N -1.00 1.33 -4.64 4.57 2.04 -1.21 -3.45 117.51 115.15 3g1p h ILE 213 Ca -0.32 -2.07 -0.41 0.00 1.00 0.00 0.00 64.86 63.07 3g1p h ILE 213 Cb 1.23 2.06 0.07 0.00 -0.74 0.00 0.00 36.82 39.43 3g1p h ILE 213 CO -0.19 0.64 -0.62 0.54 0.00 0.00 0.00 178.15 178.52 3g1p n ARG 214 N -3.88 -5.21 -1.94 2.37 1.74 0.39 -4.74 116.66 105.39 3g1p n ARG 214 Ca -0.06 0.90 -0.41 0.00 -0.77 0.00 0.00 57.85 57.51 3g1p n ARG 214 Cb 0.73 -5.78 -0.02 0.00 -1.02 0.00 0.00 32.46 26.37 3g1p n ARG 214 CO 0.00 0.00 0.00 0.45 -1.52 0.00 0.00 177.63 176.56 3g1p s SER 215 N -2.77 6.57 0.00 0.55 0.15 -1.26 -4.91 113.70 112.03 3g1p s SER 215 Ca 0.34 2.76 0.27 0.00 0.70 0.00 0.00 55.95 60.01 3g1p s SER 215 Cb -0.15 -2.63 1.32 0.00 -1.71 0.00 0.00 66.02 62.85 3g1p s SER 215 CO 0.42 -0.76 1.91 -0.81 1.20 0.00 0.00 173.24 175.19 3g1p n PRO 216 N 2.23 0.31 -3.40 5.44 -0.04 -1.26 -4.55 135.00 133.73 3g1p n PRO 216 Ca 0.07 0.03 -0.16 0.00 -0.04 0.00 0.00 63.50 63.40 3g1p n PRO 216 Cb 0.39 -1.50 -0.10 0.00 -0.04 0.00 0.00 33.50 32.26 3g1p n PRO 216 CO 0.00 0.00 0.00 0.50 -0.04 0.00 0.00 175.50 175.96 3g1p s ARG 217 N -2.65 0.31 -0.22 0.54 3.52 -1.20 -4.70 118.95 114.55 3g1p s ARG 217 Ca 0.23 0.00 -0.08 0.00 -0.13 0.00 0.00 55.73 55.76 3g1p s ARG 217 Cb 0.18 -0.70 -0.04 0.00 -1.56 0.00 0.00 34.95 32.83 3g1p s ARG 217 CO 0.42 -0.93 0.08 0.08 -0.81 0.00 0.00 175.30 174.14 3g1p s VAL 218 N 2.39 4.61 -0.25 7.11 1.01 -0.05 -1.35 120.40 133.86 3g1p s VAL 218 Ca 0.09 -0.08 -0.05 0.00 0.00 0.00 0.00 61.98 61.94 3g1p s VAL 218 Cb -0.14 -3.12 0.00 0.00 0.00 0.00 0.00 36.38 33.12 3g1p s VAL 218 CO -0.28 0.39 -0.00 -0.63 0.00 0.00 0.00 175.10 174.58 3g1p s ILE 219 N 1.05 3.52 0.09 2.22 1.01 0.18 -1.01 121.20 128.26 3g1p s ILE 219 Ca 0.04 -0.64 -0.27 0.00 0.00 0.00 0.00 60.65 59.78 3g1p s ILE 219 Cb -0.14 -2.71 -0.06 0.00 0.01 0.00 0.00 42.46 39.56 3g1p s ILE 219 CO 0.03 0.26 0.83 -0.76 0.00 0.00 0.00 174.94 175.31 3g1p s LEU 220 N 1.46 4.49 0.00 2.97 1.43 0.27 -1.18 118.68 128.13 3g1p s LEU 220 Ca 0.04 1.60 0.03 0.00 -1.03 0.00 0.00 54.13 54.77 3g1p s LEU 220 Cb -0.16 -3.37 -0.01 0.00 0.03 0.00 0.00 46.19 42.68 3g1p s LEU 220 CO -0.01 0.02 0.13 1.07 0.23 0.00 0.00 176.35 177.79 3g1p n THR 221 N 2.58 0.00 -3.42 5.49 5.66 -0.11 -0.67 114.28 123.82 3g1p n THR 221 Ca -0.01 -1.20 -0.24 0.00 -3.05 0.00 0.00 64.05 59.55 3g1p n THR 221 Cb 0.50 0.57 0.07 0.00 -1.55 0.00 0.00 70.33 69.91 3g1p n THR 221 CO 0.00 0.00 0.00 1.57 -3.05 0.00 0.00 175.07 173.59 3g1p n HIS 222 N -0.34 -2.60 -2.57 1.09 -0.00 -0.36 -0.94 115.22 109.50 3g1p n HIS 222 Ca 0.02 0.86 -0.43 0.00 -0.00 0.00 0.00 57.72 58.18 3g1p n HIS 222 Cb 0.30 -4.87 -0.02 0.00 -0.00 0.00 0.00 29.99 25.40 3g1p n HIS 222 CO 0.00 0.00 0.00 0.42 -0.00 0.00 0.00 176.34 176.76 3g1p s ILE 223 N -3.28 4.52 0.67 3.57 -1.09 -0.04 -3.59 121.20 121.97 3g1p s ILE 223 Ca 0.50 1.82 -0.11 0.00 -2.23 0.00 0.00 60.65 60.63 3g1p s ILE 223 Cb -0.22 -4.17 -0.01 0.00 -1.58 0.00 0.00 42.46 36.48 3g1p s ILE 223 CO 0.62 -0.05 1.05 -0.94 -1.23 0.00 0.00 174.94 174.39 3g1p s SER 224 N 1.36 5.68 0.46 3.58 1.04 -0.75 -4.18 113.70 120.88 3g1p s SER 224 Ca 0.51 1.52 0.11 0.00 0.48 0.00 0.00 55.95 58.57 3g1p s SER 224 Cb -0.20 -2.46 1.03 0.00 0.10 0.00 0.00 66.02 64.49 3g1p s SER 224 CO 0.17 -1.24 2.09 1.12 0.98 0.00 0.00 173.24 176.35 3g1p h HIS 225 N -0.58 0.27 -0.50 5.02 2.07 -1.88 -0.95 115.15 118.60 3g1p h HIS 225 Ca -0.44 0.00 -0.12 0.00 -2.85 0.00 0.00 60.37 56.96 3g1p h HIS 225 Cb 1.21 -0.09 -0.02 0.00 2.57 0.00 0.00 27.41 31.08 3g1p h HIS 225 CO 0.63 0.19 -0.16 1.96 -3.07 0.00 0.00 177.93 177.48 3g1p h GLN 226 N 0.29 0.98 -0.49 5.12 7.50 -1.93 -0.66 115.11 125.91 3g1p h GLN 226 Ca 0.08 -0.38 -0.13 0.00 0.50 0.00 0.00 58.65 58.71 3g1p h GLN 226 Cb 0.00 -0.05 -0.01 0.00 0.05 0.00 0.00 27.48 27.47 3g1p h GLN 226 CO -0.01 1.05 -0.21 0.35 -1.50 0.00 0.00 178.83 178.52 3g1p h PHE 227 N 0.86 1.15 -0.49 2.96 3.57 -1.56 -1.19 116.94 122.24 3g1p h PHE 227 Ca 0.12 -0.27 0.03 0.00 3.53 0.00 0.00 57.97 61.38 3g1p h PHE 227 Cb 0.72 -0.27 -0.04 0.00 2.79 0.00 0.00 35.95 39.16 3g1p h PHE 227 CO 0.05 1.10 0.27 -0.44 -2.23 0.00 0.00 178.31 177.06 3g1p h ASP 228 N 0.87 0.42 -0.77 0.41 3.32 -0.94 0.11 116.42 119.84 3g1p h ASP 228 Ca 0.11 0.01 0.04 0.00 0.02 0.00 0.00 57.03 57.21 3g1p h ASP 228 Cb 0.78 -0.07 -0.05 0.00 0.22 0.00 0.00 39.33 40.21 3g1p h ASP 228 CO 0.07 0.30 0.48 0.00 -1.72 0.00 0.00 179.24 178.36 3g1p h ALA 229 N 1.24 1.01 -0.51 3.45 0.00 -0.86 -1.97 119.26 121.61 3g1p h ALA 229 Ca 0.21 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 55.07 3g1p h ALA 229 Cb 0.06 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.59 3g1p h ALA 229 CO -0.12 0.27 0.23 2.35 0.00 0.00 0.00 179.25 181.98 3g1p h TRP 230 N 0.93 0.75 0.00 0.00 7.01 -0.46 -2.43 115.95 121.75 3g1p h TRP 230 Ca 0.31 -0.05 -0.01 0.00 2.11 0.00 0.00 58.89 61.26 3g1p h TRP 230 Cb 0.04 -0.23 -0.00 0.00 -2.10 0.00 0.00 29.16 26.86 3g1p h TRP 230 CO -0.04 0.61 -0.04 -0.07 -2.79 0.00 0.00 178.44 176.11 3g1p h LEU 231 N 0.68 0.00 -1.82 0.65 3.38 -0.35 -0.74 115.31 117.12 3g1p h LEU 231 Ca 0.17 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.14 3g1p h LEU 231 Cb 0.15 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.90 3g1p h LEU 231 CO -0.02 0.04 -0.00 0.24 0.09 0.00 0.00 178.44 178.79 3g1p h MET 232 N 0.00 0.00 0.00 1.13 2.86 -0.85 -3.26 114.93 114.82 3g1p h MET 232 Ca -0.00 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.64 3g1p h MET 232 Cb 0.23 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.89 3g1p h MET 232 CO 0.01 0.00 0.00 0.39 1.06 0.00 0.00 176.91 178.37 3g1p n GLU 233 N -3.09 -0.36 -3.95 1.72 1.02 -0.39 -5.04 120.64 110.54 3g1p n GLU 233 Ca -0.00 -0.50 -0.12 0.00 -0.02 0.00 0.00 57.16 56.51 3g1p n GLU 233 Cb 0.25 -0.89 -0.14 0.00 -0.02 0.00 0.00 31.44 30.65 3g1p n GLU 233 CO 0.00 0.00 0.00 -0.80 1.18 0.00 0.00 177.13 177.51 3g1p s ASN 234 N -0.10 0.19 0.41 1.62 0.01 -0.55 -5.12 114.94 111.41 3g1p s ASN 234 Ca 0.00 -0.11 -0.08 0.00 -0.71 0.00 0.00 52.86 51.96 3g1p s ASN 234 Cb 0.00 0.00 -0.05 0.00 0.41 0.00 0.00 41.25 41.61 3g1p s ASN 234 CO 0.00 -0.03 0.75 0.00 -1.51 0.00 0.00 177.10 176.30 3g1p s ALA 235 N -0.27 3.40 0.27 0.60 0.00 -1.26 -4.55 121.76 119.94 3g1p s ALA 235 Ca -0.02 -0.34 -0.01 0.00 0.00 0.00 0.00 51.96 51.59 3g1p s ALA 235 Cb -0.02 -2.62 -0.04 0.00 0.00 0.00 0.00 23.12 20.44 3g1p s ALA 235 CO -0.00 -0.08 0.48 -0.51 0.00 0.00 0.00 175.76 175.64 3g1p s LEU 236 N -4.08 4.12 0.84 0.00 1.43 -1.26 -5.10 118.68 114.63 3g1p s LEU 236 Ca 0.49 0.46 -0.11 0.00 -1.03 0.00 0.00 54.13 53.94 3g1p s LEU 236 Cb -0.10 -3.27 0.09 0.00 0.03 0.00 0.00 46.19 42.94 3g1p s LEU 236 CO 0.35 -0.16 1.09 -2.84 0.23 0.00 0.00 176.35 175.02 3g1p s PRO 237 N -3.76 1.74 0.29 1.29 0.02 -1.26 -4.92 135.00 128.39 3g1p s PRO 237 Ca 0.40 1.02 -0.29 0.00 0.02 0.00 0.00 61.00 62.15 3g1p s PRO 237 Cb -0.10 -1.85 -0.14 0.00 0.02 0.00 0.00 34.50 32.43 3g1p s PRO 237 CO 0.32 -1.96 1.15 0.45 -0.33 0.00 0.00 177.00 176.62 3g1p n SER 238 N -3.72 1.88 0.00 2.53 2.88 -1.26 -2.26 113.62 113.68 3g1p n SER 238 Ca 0.08 1.18 0.00 0.00 -1.33 0.00 0.00 58.87 58.80 3g1p n SER 238 Cb 0.54 -1.35 0.00 0.00 -0.75 0.00 0.00 64.21 62.65 3g1p n SER 238 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 3g1p n GLY 239 N 1.27 0.93 3.29 0.46 0.00 -1.26 -5.04 105.19 104.84 3g1p n GLY 239 Ca 0.09 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.80 3g1p n GLY 239 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3g1p s PHE 240 N -3.06 2.27 0.11 1.61 0.08 -0.96 -0.87 117.98 117.16 3g1p s PHE 240 Ca 0.00 -0.45 -0.05 0.00 0.12 0.00 0.00 56.93 56.56 3g1p s PHE 240 Cb 0.00 -1.46 -0.02 0.00 -0.57 0.00 0.00 43.02 40.96 3g1p s PHE 240 CO 0.00 -0.05 0.12 -1.83 -0.10 0.00 0.00 175.22 173.36 3g1p s GLU 241 N -0.56 0.89 -0.18 0.44 -1.05 -0.18 -4.76 118.70 113.30 3g1p s GLU 241 Ca 0.09 -1.22 -0.09 0.00 -0.15 0.00 0.00 54.97 53.60 3g1p s GLU 241 Cb -0.10 0.29 -0.05 0.00 -0.44 0.00 0.00 34.13 33.83 3g1p s GLU 241 CO -0.01 -0.27 0.12 0.08 0.95 0.00 0.00 175.26 176.14 3g1p s VAL 242 N -3.96 5.30 0.90 1.83 1.01 -1.26 -0.57 120.40 123.65 3g1p s VAL 242 Ca 0.14 0.15 -0.11 0.00 0.00 0.00 0.00 61.98 62.16 3g1p s VAL 242 Cb 0.06 -3.39 0.13 0.00 0.00 0.00 0.00 36.38 33.18 3g1p s VAL 242 CO -0.04 0.47 1.09 -0.83 0.00 0.00 0.00 175.10 175.80 3g1p s GLY 243 N 0.12 1.63 0.03 4.51 0.00 0.16 -4.86 107.32 108.92 3g1p s GLY 243 Ca 0.08 0.07 -0.00 0.00 0.00 0.00 0.00 44.72 44.87 3g1p s GLY 243 CO -0.01 0.54 -0.03 -0.11 0.00 0.00 0.00 173.10 173.49 3g1p s PHE 244 N -2.86 0.39 0.15 1.90 -0.12 -1.26 -4.97 117.98 111.21 3g1p s PHE 244 Ca 0.64 -0.75 -0.32 0.00 -0.05 0.00 0.00 56.93 56.45 3g1p s PHE 244 Cb -0.19 -0.28 -0.12 0.00 -0.63 0.00 0.00 43.02 41.80 3g1p s PHE 244 CO 0.57 -0.26 1.76 -0.25 -0.05 0.00 0.00 175.22 177.00 3g1p n ASP 245 N 0.97 3.89 0.00 1.98 9.92 -1.26 -1.42 116.55 130.64 3g1p n ASP 245 Ca -0.20 1.03 0.00 0.00 -0.53 0.00 0.00 54.79 55.09 3g1p n ASP 245 Cb 0.57 -1.54 0.00 0.00 -0.64 0.00 0.00 41.12 39.52 3g1p n ASP 245 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 3g1p n GLY 246 N 4.04 1.02 3.70 0.44 0.00 0.13 -5.00 105.19 109.52 3g1p n GLY 246 Ca 0.17 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.75 3g1p n GLY 246 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 173.32 173.19 3g1p n MET 247 N -2.00 2.36 -4.38 1.61 0.00 -0.51 -4.68 117.12 109.52 3g1p n MET 247 Ca 0.00 0.85 -0.34 0.00 0.00 0.00 0.00 57.70 58.20 3g1p n MET 247 Cb 0.00 -2.60 -0.10 0.00 0.00 0.00 0.00 33.22 30.51 3g1p n MET 247 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 175.97 173.97 3g1p s GLU 248 N 0.25 3.24 -0.20 2.12 2.12 -1.26 -0.93 118.70 124.04 3g1p s GLU 248 Ca 0.72 -0.45 0.01 0.00 0.36 0.00 0.00 54.97 55.61 3g1p s GLU 248 Cb -0.60 -2.84 0.03 0.00 0.26 0.00 0.00 34.13 30.99 3g1p s GLU 248 CO 0.43 0.53 -0.17 0.42 -0.54 0.00 0.00 175.26 175.92 3g1p s ILE 249 N -0.41 2.05 0.00 -3.70 1.01 0.15 -4.99 121.20 115.31 3g1p s ILE 249 Ca 0.07 -1.10 0.00 0.00 0.00 0.00 0.00 60.65 59.62 3g1p s ILE 249 Cb -0.12 -1.94 0.00 0.00 0.01 0.00 0.00 42.46 40.41 3g1p s ILE 249 CO 0.02 0.38 0.48 0.61 0.00 0.00 0.00 174.94 176.43