#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2g3p s THR 3 N 0.00 1.65 0.14 2.62 -4.23 -1.26 -4.99 115.64 109.57 2g3p s THR 3 Ca 0.00 -1.82 -0.15 0.00 -1.18 0.00 0.00 61.69 58.54 2g3p s THR 3 Cb 0.00 -2.47 0.02 0.00 1.34 0.00 0.00 72.50 71.39 2g3p s THR 3 CO 0.00 0.00 1.70 0.58 -0.54 0.00 0.00 174.62 176.36 2g3p h VAL 4 N 1.30 1.20 -0.71 2.29 2.07 -1.99 -1.70 116.25 118.71 2g3p h VAL 4 Ca -0.42 -0.61 0.00 0.00 0.82 0.00 0.00 66.70 66.49 2g3p h VAL 4 Cb 1.29 0.76 -0.03 0.00 -1.52 0.00 0.00 31.29 31.79 2g3p h VAL 4 CO 0.71 0.23 0.46 -0.08 0.02 0.00 0.00 177.57 178.91 2g3p h GLU 5 N 0.59 0.94 -0.36 1.57 4.81 -1.99 -1.47 114.58 118.68 2g3p h GLU 5 Ca 0.15 -0.06 -0.09 0.00 -0.13 0.00 0.00 59.36 59.23 2g3p h GLU 5 Cb 0.18 -0.21 -0.02 0.00 0.63 0.00 0.00 28.75 29.34 2g3p h GLU 5 CO -0.01 0.63 -0.14 0.66 -0.73 0.00 0.00 179.01 179.42 2g3p h SER 6 N 0.96 0.62 -0.16 1.04 4.64 -1.88 -2.29 113.55 116.49 2g3p h SER 6 Ca 0.26 -0.18 -0.03 0.00 -0.47 0.00 0.00 61.79 61.37 2g3p h SER 6 Cb -0.09 -0.17 -0.01 0.00 -0.31 0.00 0.00 62.40 61.82 2g3p h SER 6 CO -0.05 0.79 -0.01 0.00 -0.87 0.00 0.00 176.83 176.69 2g3p h LEU 8 N 0.03 0.00 0.00 0.00 3.38 -1.15 -1.35 115.31 116.22 2g3p h LEU 8 Ca 0.04 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.01 2g3p h LEU 8 Cb 0.39 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.14 2g3p h LEU 8 CO 0.01 0.05 -0.13 0.00 0.09 0.00 0.00 178.44 178.47 2g3p h ALA 9 N 1.95 0.93 -2.97 1.53 0.00 -1.32 -3.47 119.26 115.90 2g3p h ALA 9 Ca -0.00 0.00 -0.54 0.00 0.00 0.00 0.00 54.91 54.37 2g3p h ALA 9 Cb 0.21 0.00 0.14 0.00 0.00 0.00 0.00 17.79 18.14 2g3p h ALA 9 CO 0.01 0.00 0.50 0.15 0.00 0.00 0.00 179.25 179.91 2g3p s LYS 10 N -3.17 2.79 0.57 0.00 1.02 -0.51 -4.96 119.74 115.48 2g3p s LYS 10 Ca 0.08 1.97 -0.17 0.00 0.02 0.00 0.00 55.97 57.87 2g3p s LYS 10 Cb 0.09 -1.91 -0.04 0.00 -0.52 0.00 0.00 37.83 35.44 2g3p s LYS 10 CO 0.65 -1.39 1.06 -1.25 -0.92 0.00 0.00 175.35 173.51 2g3p s PRO 11 N -3.32 3.38 0.47 -1.68 0.04 -1.26 -4.80 135.00 127.83 2g3p s PRO 11 Ca 0.79 1.27 -0.23 0.00 0.04 0.00 0.00 61.00 62.87 2g3p s PRO 11 Cb -0.34 -2.04 -0.07 0.00 0.04 0.00 0.00 34.50 32.09 2g3p s PRO 11 CO 0.37 -0.76 1.21 -1.01 0.04 0.00 0.00 177.00 176.84 2g3p s HIS 12 N -2.31 2.79 -0.06 0.56 3.76 -1.26 -4.80 115.29 113.97 2g3p s HIS 12 Ca 0.65 1.50 0.02 0.00 -0.15 0.00 0.00 55.06 57.09 2g3p s HIS 12 Cb -0.17 -3.47 0.01 0.00 1.11 0.00 0.00 32.58 30.07 2g3p s HIS 12 CO 0.33 -1.76 -0.11 -0.08 -0.85 0.00 0.00 174.74 172.28 2g3p s THR 13 N -1.48 1.01 -0.66 1.30 -1.32 -0.28 -4.94 115.64 109.27 2g3p s THR 13 Ca 0.64 -0.42 -0.18 0.00 -1.21 0.00 0.00 61.69 60.52 2g3p s THR 13 Cb -0.31 -0.93 0.12 0.00 -1.51 0.00 0.00 72.50 69.87 2g3p s THR 13 CO 0.38 0.32 0.76 -0.70 -2.21 0.00 0.00 174.62 173.17 2g3p s GLU 14 N 0.62 3.18 0.17 7.08 2.12 -1.26 -0.83 118.70 129.77 2g3p s GLU 14 Ca -0.12 -1.53 -0.23 0.00 0.36 0.00 0.00 54.97 53.45 2g3p s GLU 14 Cb -0.15 -4.37 0.08 0.00 0.26 0.00 0.00 34.13 29.95 2g3p s GLU 14 CO 0.03 -1.54 1.03 1.21 -0.54 0.00 0.00 175.26 175.45 2g3p s ASN 15 N 3.45 -0.04 -0.02 -1.70 3.84 -0.85 -4.91 114.94 114.70 2g3p s ASN 15 Ca 0.15 -0.58 -0.25 0.00 0.21 0.00 0.00 52.86 52.39 2g3p s ASN 15 Cb -0.20 0.48 -0.04 0.00 -0.55 0.00 0.00 41.25 40.94 2g3p s ASN 15 CO 0.02 -0.93 0.77 -0.44 -2.79 0.00 0.00 177.10 173.73 2g3p s SER 16 N -3.27 7.13 0.02 -4.21 0.01 -1.26 -2.57 113.70 109.54 2g3p s SER 16 Ca 0.19 1.35 0.09 0.00 1.31 0.00 0.00 55.95 58.89 2g3p s SER 16 Cb -0.02 -2.46 -0.02 0.00 0.21 0.00 0.00 66.02 63.73 2g3p s SER 16 CO 0.04 -0.10 -0.26 -0.36 0.41 0.00 0.00 173.24 172.97 2g3p s PHE 17 N 0.57 2.29 0.49 2.43 0.40 -0.34 -1.13 117.98 122.68 2g3p s PHE 17 Ca 0.40 -0.42 0.06 0.00 -0.60 0.00 0.00 56.93 56.38 2g3p s PHE 17 Cb -0.19 -1.41 0.01 0.00 0.51 0.00 0.00 43.02 41.94 2g3p s PHE 17 CO 0.21 0.06 0.36 -0.08 0.70 0.00 0.00 175.22 176.47 2g3p s THR 18 N -0.72 2.00 -1.37 0.64 -1.32 -1.26 -1.42 115.64 112.19 2g3p s THR 18 Ca 0.11 -1.49 -0.07 0.00 -1.21 0.00 0.00 61.69 59.03 2g3p s THR 18 Cb -0.10 -2.49 0.03 0.00 -1.51 0.00 0.00 72.50 68.43 2g3p s THR 18 CO 0.01 0.00 0.99 0.59 -2.21 0.00 0.00 174.62 174.00 2g3p n ASN 19 N -1.63 -4.05 -4.75 8.08 5.03 -0.53 -4.76 115.26 112.65 2g3p n ASN 19 Ca -0.00 -0.69 -0.40 0.00 0.87 0.00 0.00 54.58 54.36 2g3p n ASN 19 Cb 0.64 -4.49 -0.06 0.00 -1.02 0.00 0.00 39.78 34.84 2g3p n ASN 19 CO 0.00 0.00 0.00 -0.69 -1.83 0.00 0.00 177.26 174.74 2g3p s VAL 20 N -3.39 4.01 0.19 2.41 1.01 -0.74 -4.67 120.40 119.21 2g3p s VAL 20 Ca 0.39 2.03 0.07 0.00 0.00 0.00 0.00 61.98 64.47 2g3p s VAL 20 Cb -0.18 -4.29 -0.05 0.00 0.00 0.00 0.00 36.38 31.86 2g3p s VAL 20 CO 0.78 0.48 -0.14 -1.66 0.00 0.00 0.00 175.10 174.56 2g3p s TRP 21 N -1.18 1.66 -0.04 5.22 -2.14 -0.26 -4.66 118.94 117.54 2g3p s TRP 21 Ca 0.41 -0.58 0.04 0.00 2.66 0.00 0.00 56.10 58.63 2g3p s TRP 21 Cb -0.27 -0.78 -0.00 0.00 -3.10 0.00 0.00 33.47 29.32 2g3p s TRP 21 CO 0.33 0.32 -0.15 0.21 -2.66 0.00 0.00 176.95 175.00 2g3p s LYS 22 N -3.52 1.53 0.03 3.25 2.20 -1.26 -0.57 119.74 121.40 2g3p s LYS 22 Ca 0.20 -0.51 -0.30 0.00 -0.36 0.00 0.00 55.97 55.00 2g3p s LYS 22 Cb -0.01 -1.35 -0.06 0.00 -1.51 0.00 0.00 37.83 34.90 2g3p s LYS 22 CO 0.06 0.20 1.42 0.34 -0.36 0.00 0.00 175.35 177.00 2g3p s ASP 23 N 0.11 6.83 0.44 1.43 -1.08 0.74 -4.91 116.67 120.23 2g3p s ASP 23 Ca -0.04 2.18 0.30 0.00 -0.52 0.00 0.00 52.55 54.48 2g3p s ASP 23 Cb -0.11 -2.57 1.27 0.00 -1.46 0.00 0.00 42.92 40.06 2g3p s ASP 23 CO 0.02 -0.72 1.90 0.44 0.52 0.00 0.00 175.17 177.33 2g3p h ASP 24 N 7.66 0.00 0.01 -0.34 3.32 -1.93 0.18 116.42 125.33 2g3p h ASP 24 Ca -0.39 0.00 -0.33 0.00 0.02 0.00 0.00 57.03 56.33 2g3p h ASP 24 Cb 1.19 0.00 -0.05 0.00 0.22 0.00 0.00 39.33 40.69 2g3p h ASP 24 CO 0.90 0.00 -1.82 1.17 -1.72 0.00 0.00 179.24 177.76 2g3p n LYS 25 N -2.76 0.60 0.05 3.56 4.81 -1.26 -3.65 118.16 119.52 2g3p n LYS 25 Ca 0.01 0.42 0.11 0.00 -0.87 0.00 0.00 58.31 57.98 2g3p n LYS 25 Cb 0.26 -1.65 0.03 0.00 0.02 0.00 0.00 35.03 33.69 2g3p n LYS 25 CO 0.00 0.00 0.00 0.25 1.17 0.00 0.00 177.40 178.82 2g3p n THR 26 N -4.20 0.31 -1.70 3.15 -2.24 -1.23 -4.88 114.28 103.49 2g3p n THR 26 Ca -0.40 -0.35 -0.12 0.00 -2.27 0.00 0.00 64.05 60.91 2g3p n THR 26 Cb 0.81 -0.02 -0.03 0.00 -2.10 0.00 0.00 70.33 68.98 2g3p n THR 26 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 2g3p n LEU 27 N -2.21 -1.13 -4.81 3.22 4.77 0.64 -4.85 117.00 112.64 2g3p n LEU 27 Ca 0.01 0.16 -0.35 0.00 -0.03 0.00 0.00 56.01 55.80 2g3p n LEU 27 Cb 0.48 -1.83 -0.06 0.00 -2.33 0.00 0.00 43.42 39.67 2g3p n LEU 27 CO 0.40 -0.40 0.55 -1.81 -1.33 0.00 0.00 177.39 174.79 2g3p s ASP 28 N -2.71 7.11 -0.11 -1.43 1.01 -1.25 -4.72 116.67 114.58 2g3p s ASP 28 Ca 0.00 1.61 -0.03 0.00 0.71 0.00 0.00 52.55 54.84 2g3p s ASP 28 Cb 0.00 -2.50 -0.03 0.00 1.01 0.00 0.00 42.92 41.40 2g3p s ASP 28 CO 0.00 -0.10 0.00 -0.13 0.21 0.00 0.00 175.17 175.15 2g3p s ARG 29 N -2.33 3.24 0.14 8.23 0.52 -1.26 -0.18 118.95 127.31 2g3p s ARG 29 Ca 0.50 -0.42 0.04 0.00 -0.52 0.00 0.00 55.73 55.33 2g3p s ARG 29 Cb -0.15 -2.87 -0.04 0.00 0.52 0.00 0.00 34.95 32.40 2g3p s ARG 29 CO 0.20 0.56 -0.08 0.71 0.02 0.00 0.00 175.30 176.72 2g3p s TYR 30 N -0.49 1.19 0.00 -0.53 2.02 0.27 -1.33 117.35 118.49 2g3p s TYR 30 Ca 0.09 -0.83 -0.28 0.00 -0.37 0.00 0.00 57.07 55.68 2g3p s TYR 30 Cb -0.12 -0.63 0.09 0.00 -0.40 0.00 0.00 41.96 40.89 2g3p s TYR 30 CO 0.02 -0.00 0.77 0.00 -1.57 0.00 0.00 175.55 174.77 2g3p s ALA 31 N -3.43 -1.77 -0.10 3.71 0.00 -0.74 -1.10 121.76 118.33 2g3p s ALA 31 Ca 0.17 1.04 -0.06 0.00 0.00 0.00 0.00 51.96 53.11 2g3p s ALA 31 Cb 0.04 0.26 -0.04 0.00 0.00 0.00 0.00 23.12 23.37 2g3p s ALA 31 CO 0.00 -0.57 0.12 -0.80 0.00 0.00 0.00 175.76 174.51 2g3p s ASN 32 N -2.01 6.16 -0.29 0.00 0.01 -1.26 -0.68 114.94 116.86 2g3p s ASN 32 Ca -0.01 0.39 -0.14 0.00 -0.71 0.00 0.00 52.86 52.40 2g3p s ASN 32 Cb -0.01 -1.94 0.11 0.00 0.41 0.00 0.00 41.25 39.82 2g3p s ASN 32 CO -0.04 0.39 0.70 -0.47 -1.51 0.00 0.00 177.10 176.18 2g3p s TYR 33 N -1.02 -1.14 -1.48 2.20 5.04 -0.49 -4.81 117.35 115.65 2g3p s TYR 33 Ca 0.16 2.12 -0.01 0.00 -2.44 0.00 0.00 57.07 56.90 2g3p s TYR 33 Cb -0.12 0.68 0.00 0.00 0.35 0.00 0.00 41.96 42.87 2g3p s TYR 33 CO 0.05 -0.56 0.09 0.39 -1.34 0.00 0.00 175.55 174.17 2g3p n GLU 34 N 4.75 -1.89 -0.85 4.97 1.02 -1.26 -2.06 120.64 125.32 2g3p n GLU 34 Ca -0.16 0.84 0.00 0.00 -0.02 0.00 0.00 57.16 57.82 2g3p n GLU 34 Cb 0.55 -5.34 0.00 0.00 -0.02 0.00 0.00 31.44 26.63 2g3p n GLU 34 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2g3p n GLY 35 N -1.08 0.74 3.43 0.62 0.00 -1.26 -4.90 105.19 102.73 2g3p n GLY 35 Ca -0.19 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.60 2g3p n GLY 35 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2g3p s LEU 37 N -3.27 4.29 0.09 0.00 2.96 0.16 -1.40 118.68 121.51 2g3p s LEU 37 Ca 0.26 0.61 0.09 0.00 -0.22 0.00 0.00 54.13 54.86 2g3p s LEU 37 Cb -0.05 -2.42 -0.03 0.00 0.50 0.00 0.00 46.19 44.19 2g3p s LEU 37 CO 0.12 0.14 -0.23 0.26 -1.32 0.00 0.00 176.35 175.32 2g3p s TRP 38 N 0.15 1.97 -0.09 5.38 0.52 0.14 -0.53 118.94 126.48 2g3p s TRP 38 Ca 0.19 -0.40 0.03 0.00 0.02 0.00 0.00 56.10 55.94 2g3p s TRP 38 Cb -0.14 -1.11 0.00 0.00 -1.15 0.00 0.00 33.47 31.08 2g3p s TRP 38 CO 0.06 0.20 -0.21 1.21 0.02 0.00 0.00 176.95 178.23 2g3p s ASN 39 N -1.69 2.77 0.17 2.95 3.04 0.19 -1.79 114.94 120.58 2g3p s ASN 39 Ca 0.09 -0.50 -0.30 0.00 0.04 0.00 0.00 52.86 52.19 2g3p s ASN 39 Cb -0.10 -1.27 -0.07 0.00 -1.54 0.00 0.00 41.25 38.27 2g3p s ASN 39 CO 0.04 0.12 1.09 0.00 -3.04 0.00 0.00 177.10 175.31 2g3p s ALA 40 N 0.45 3.36 -0.26 1.71 0.00 -0.44 -1.59 121.76 124.99 2g3p s ALA 40 Ca -0.17 0.79 -0.05 0.00 0.00 0.00 0.00 51.96 52.53 2g3p s ALA 40 Cb -0.17 -3.35 0.01 0.00 0.00 0.00 0.00 23.12 19.60 2g3p s ALA 40 CO 0.07 -0.20 0.02 0.95 0.00 0.00 0.00 175.76 176.60 2g3p s THR 41 N -0.16 3.59 0.00 0.00 -4.23 -0.03 -4.68 115.64 110.12 2g3p s THR 41 Ca 0.49 -0.68 0.00 0.00 -1.18 0.00 0.00 61.69 60.33 2g3p s THR 41 Cb -0.29 -2.78 0.00 0.00 1.34 0.00 0.00 72.50 70.77 2g3p s THR 41 CO 0.34 0.21 0.00 0.61 -0.54 0.00 0.00 174.62 175.25 2g3p n GLY 42 N 4.81 1.26 0.00 3.99 0.00 -1.26 -4.36 105.19 109.63 2g3p n GLY 42 Ca -0.16 -0.45 0.00 0.00 0.00 0.00 0.00 46.02 45.41 2g3p n GLY 42 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 2g3p n VAL 43 N 0.00 0.00 -5.09 1.61 0.24 -1.26 -4.82 118.33 109.00 2g3p n VAL 43 Ca 0.00 0.00 -0.28 0.00 -2.04 0.00 0.00 64.34 62.02 2g3p n VAL 43 Cb 0.00 0.00 -0.16 0.00 -1.47 0.00 0.00 33.84 32.21 2g3p n VAL 43 CO 0.00 0.00 0.00 -0.69 -2.14 0.00 0.00 176.83 174.00 2g3p s VAL 44 N 0.00 1.75 -0.23 3.34 1.01 -1.26 -4.40 120.40 120.61 2g3p s VAL 44 Ca 0.00 -0.96 0.00 0.00 0.00 0.00 0.00 61.98 61.03 2g3p s VAL 44 Cb 0.00 -1.46 0.03 0.00 0.00 0.00 0.00 36.38 34.96 2g3p s VAL 44 CO 0.00 0.49 -0.11 -0.69 0.00 0.00 0.00 175.10 174.79 2g3p s VAL 45 N -0.53 2.48 0.28 2.92 1.01 -0.48 0.73 120.40 126.81 2g3p s VAL 45 Ca 0.09 -1.13 0.08 0.00 0.00 0.00 0.00 61.98 61.01 2g3p s VAL 45 Cb -0.09 -2.24 -0.06 0.00 0.00 0.00 0.00 36.38 33.99 2g3p s VAL 45 CO -0.01 0.25 -0.08 0.00 0.00 0.00 0.00 175.10 175.26 2g3p s THR 47 N -2.92 1.79 0.09 0.00 -4.23 -0.70 0.21 115.64 109.88 2g3p s THR 47 Ca 0.29 0.00 -0.34 0.00 -1.18 0.00 0.00 61.69 60.46 2g3p s THR 47 Cb 0.02 -2.58 -0.15 0.00 1.34 0.00 0.00 72.50 71.13 2g3p s THR 47 CO 0.12 0.00 1.58 1.23 -0.54 0.00 0.00 174.62 177.01 2g3p h GLY 48 N -2.19 -1.09 -0.92 3.99 0.00 -1.93 -3.40 103.07 97.53 2g3p h GLY 48 Ca -0.48 0.54 -0.40 0.00 0.00 0.00 0.00 47.33 46.99 2g3p h GLY 48 CO 0.43 -0.34 0.06 0.51 0.00 0.00 0.00 176.54 177.21 2g3p s ASP 49 N -4.49 0.25 -0.57 0.19 1.47 -1.26 -4.85 116.67 107.40 2g3p s ASP 49 Ca -0.17 0.65 0.02 0.00 1.18 0.00 0.00 52.55 54.22 2g3p s ASP 49 Cb 0.05 -0.88 0.42 0.00 -0.34 0.00 0.00 42.92 42.17 2g3p s ASP 49 CO 0.62 -4.54 1.60 1.21 0.68 0.00 0.00 175.17 174.74 2g3p n GLU 50 N -5.04 3.11 0.12 2.11 2.13 -1.26 -4.61 120.64 117.20 2g3p n GLU 50 Ca 0.14 -3.87 -0.24 0.00 0.66 0.00 0.00 57.16 53.85 2g3p n GLU 50 Cb 0.60 -2.27 -0.16 0.00 0.27 0.00 0.00 31.44 29.88 2g3p n GLU 50 CO 0.00 0.00 0.00 1.79 -0.41 0.00 0.00 177.13 178.51 2g3p h THR 51 N 1.95 1.28 -4.16 6.31 1.35 -1.86 -3.39 112.91 114.40 2g3p h THR 51 Ca 0.46 -2.65 -0.59 0.00 -0.55 0.00 0.00 66.41 63.09 2g3p h THR 51 Cb 0.78 3.04 -0.25 0.00 -1.73 0.00 0.00 68.15 69.99 2g3p h THR 51 CO 1.17 0.80 -0.84 -1.10 -0.25 0.00 0.00 175.52 175.30 2g3p s GLN 52 N -2.57 1.39 -0.06 4.72 -0.21 -1.26 -1.45 119.66 120.22 2g3p s GLN 52 Ca -0.11 -0.97 -0.04 0.00 0.02 0.00 0.00 55.36 54.27 2g3p s GLN 52 Cb 0.04 -1.52 0.02 0.00 1.00 0.00 0.00 33.01 32.55 2g3p s GLN 52 CO 0.92 0.39 0.14 0.00 -2.12 0.00 0.00 175.29 174.61 2g3p s TYR 54 N 0.53 3.26 -3.65 0.00 6.14 0.16 -1.20 117.35 122.59 2g3p s TYR 54 Ca -0.04 0.19 0.00 0.00 0.64 0.00 0.00 57.07 57.86 2g3p s TYR 54 Cb -0.05 -1.91 0.00 0.00 0.42 0.00 0.00 41.96 40.42 2g3p s TYR 54 CO -0.02 0.40 0.00 0.41 0.64 0.00 0.00 175.55 176.98 2g3p n GLY 55 N 2.58 -1.10 3.53 8.97 0.00 -1.06 -1.39 105.19 116.72 2g3p n GLY 55 Ca -0.18 -1.07 -0.43 0.00 0.00 0.00 0.00 46.02 44.33 2g3p n GLY 55 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2g3p s THR 56 N -3.00 4.53 -0.12 2.61 2.01 -1.26 -2.01 115.64 118.40 2g3p s THR 56 Ca 0.00 0.34 -0.06 0.00 0.31 0.00 0.00 61.69 62.27 2g3p s THR 56 Cb 0.00 -4.43 -0.04 0.00 0.01 0.00 0.00 72.50 68.04 2g3p s THR 56 CO 0.00 -0.91 0.11 0.26 -0.69 0.00 0.00 174.62 173.39 2g3p s TRP 57 N 3.58 3.48 -0.07 4.92 0.52 -0.01 -0.85 118.94 130.50 2g3p s TRP 57 Ca 0.30 0.42 0.06 0.00 0.02 0.00 0.00 56.10 56.89 2g3p s TRP 57 Cb -0.13 -1.94 -0.01 0.00 -1.15 0.00 0.00 33.47 30.25 2g3p s TRP 57 CO 0.21 0.61 -0.25 0.08 0.02 0.00 0.00 176.95 177.62 2g3p s VAL 58 N -0.78 2.07 0.05 4.03 1.01 -0.62 -1.12 120.40 125.04 2g3p s VAL 58 Ca 0.13 -1.05 -0.31 0.00 0.00 0.00 0.00 61.98 60.76 2g3p s VAL 58 Cb -0.12 -1.75 -0.05 0.00 0.00 0.00 0.00 36.38 34.45 2g3p s VAL 58 CO 0.03 0.57 1.20 -2.16 0.00 0.00 0.00 175.10 174.74 2g3p s PRO 59 N -0.07 4.43 0.00 2.72 0.04 -1.26 -0.63 135.00 140.22 2g3p s PRO 59 Ca -0.07 1.76 0.00 0.00 0.04 0.00 0.00 61.00 62.74 2g3p s PRO 59 Cb -0.15 -3.37 0.00 0.00 0.04 0.00 0.00 34.50 31.03 2g3p s PRO 59 CO 0.05 -0.27 0.16 0.44 0.04 0.00 0.00 177.00 177.42 2g3p n ILE 60 N 3.98 0.00 -3.63 0.56 -5.35 0.31 -4.66 119.36 110.57 2g3p n ILE 60 Ca 0.09 -0.43 0.00 0.00 -0.27 0.00 0.00 62.75 62.14 2g3p n ILE 60 Cb 0.46 1.05 0.00 0.00 -1.74 0.00 0.00 39.64 39.41 2g3p n ILE 60 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2g3p n GLY 61 N 0.54 -0.85 3.80 3.28 0.00 -1.22 -4.94 105.19 105.79 2g3p n GLY 61 Ca 0.00 -0.99 -0.34 0.00 0.00 0.00 0.00 46.02 44.69 2g3p n GLY 61 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2g3p s LEU 62 N 0.00 3.88 0.58 0.99 1.43 -1.26 0.39 118.68 124.69 2g3p s LEU 62 Ca 0.00 1.94 -0.20 0.00 -1.03 0.00 0.00 54.13 54.83 2g3p s LEU 62 Cb 0.00 -4.51 -0.04 0.00 0.03 0.00 0.00 46.19 41.67 2g3p s LEU 62 CO 0.00 -0.73 1.33 0.00 0.23 0.00 0.00 176.35 177.18 2g3p n ALA 63 N -0.84 1.43 -2.40 4.21 0.00 -0.43 -3.56 120.51 118.92 2g3p n ALA 63 Ca 0.09 0.08 -0.30 0.00 0.00 0.00 0.00 53.44 53.31 2g3p n ALA 63 Cb 0.52 -2.34 -0.14 0.00 0.00 0.00 0.00 19.45 17.49 2g3p n ALA 63 CO 0.00 0.00 0.00 0.96 0.00 0.00 0.00 177.50 178.46 2g3p s ILE 64 N -1.32 2.41 0.46 0.00 -4.36 -1.26 -4.85 121.20 112.28 2g3p s ILE 64 Ca 0.75 -1.37 -0.24 0.00 -0.26 0.00 0.00 60.65 59.53 2g3p s ILE 64 Cb -0.40 -1.99 -0.08 0.00 1.25 0.00 0.00 42.46 41.23 2g3p s ILE 64 CO 0.46 0.31 1.30 -0.81 0.24 0.00 0.00 174.94 176.44 2g3p n PRO 65 N 1.55 1.89 0.00 0.37 -0.04 -1.26 -4.49 135.00 133.02 2g3p n PRO 65 Ca -0.17 0.68 0.00 0.00 -0.04 0.00 0.00 63.50 63.97 2g3p n PRO 65 Cb 0.52 -2.46 0.00 0.00 -0.04 0.00 0.00 33.50 31.53 2g3p n PRO 65 CO 0.00 0.00 0.00 -1.91 -0.04 0.00 0.00 175.50 173.55 2g3p n GLU 66 N -0.27 0.00 -3.40 0.54 0.00 -1.26 -5.20 120.64 111.05 2g3p n GLU 66 Ca 0.07 0.00 0.00 0.00 0.00 0.00 0.00 57.16 57.23 2g3p n GLU 66 Cb 0.41 0.00 0.00 0.00 0.00 0.00 0.00 31.44 31.85 2g3p n GLU 66 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.13 177.22 2g3p n ASN 67 N 0.00 0.00 -3.60 4.31 3.02 -1.26 -5.11 115.26 112.62 2g3p n ASN 67 Ca 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.55 2g3p n ASN 67 Cb 0.00 0.00 -0.01 0.00 -0.61 0.00 0.00 39.78 39.16 2g3p n ASN 67 CO 0.00 0.00 0.00 -2.84 -2.62 0.00 0.00 177.26 171.80 2g3p s PRO 90 N -1.24 0.20 0.00 3.52 0.01 -1.26 -4.50 135.00 131.73 2g3p s PRO 90 Ca 0.00 -0.10 0.00 0.00 0.01 0.00 0.00 61.00 60.91 2g3p s PRO 90 Cb 0.00 0.07 0.00 0.00 0.01 0.00 0.00 34.50 34.58 2g3p s PRO 90 CO 0.00 -0.09 0.00 -1.91 0.01 0.00 0.00 177.00 175.01 2g3p n GLU 91 N -0.30 0.00 0.00 5.54 4.07 -1.26 -5.09 120.64 123.60 2g3p n GLU 91 Ca -0.04 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 57.06 2g3p n GLU 91 Cb 0.61 0.00 0.00 0.00 -0.06 0.00 0.00 31.44 31.99 2g3p n GLU 91 CO 0.00 0.00 0.00 0.66 -0.06 0.00 0.00 177.13 177.73 2g3p n TYR 92 N 0.00 0.00 -2.25 4.31 4.01 -1.26 -5.12 117.16 116.86 2g3p n TYR 92 Ca 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.74 2g3p n TYR 92 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.03 2g3p n TYR 92 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 2g3p n GLY 93 N 0.00 4.51 0.09 2.72 0.00 -1.26 -4.98 105.19 106.27 2g3p n GLY 93 Ca 0.00 -1.99 0.01 0.00 0.00 0.00 0.00 46.02 44.04 2g3p n GLY 93 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2g3p n ASP 94 N 0.00 1.81 -4.83 1.61 9.92 -1.26 -2.53 116.55 121.26 2g3p n ASP 94 Ca 0.00 -1.69 -0.36 0.00 -0.53 0.00 0.00 54.79 52.21 2g3p n ASP 94 Cb 0.00 -0.02 -0.07 0.00 -0.64 0.00 0.00 41.12 40.39 2g3p n ASP 94 CO 0.00 0.00 0.00 -0.89 0.13 0.00 0.00 177.20 176.44 2g3p s THR 95 N -0.71 5.46 0.30 -3.53 2.01 -1.26 -4.55 115.64 113.35 2g3p s THR 95 Ca 0.03 0.24 -0.29 0.00 0.31 0.00 0.00 61.69 61.98 2g3p s THR 95 Cb 0.02 -3.44 -0.13 0.00 0.01 0.00 0.00 72.50 68.96 2g3p s THR 95 CO 0.02 0.56 1.31 -2.65 -0.69 0.00 0.00 174.62 173.18 2g3p n PRO 96 N 2.43 2.03 -4.32 4.92 -0.02 -1.26 -4.37 135.00 134.41 2g3p n PRO 96 Ca -0.18 0.71 -0.29 0.00 -2.02 0.00 0.00 63.50 61.72 2g3p n PRO 96 Cb 0.54 -2.31 -0.11 0.00 -0.02 0.00 0.00 33.50 31.60 2g3p n PRO 96 CO 0.00 0.00 0.00 0.96 1.98 0.00 0.00 175.50 178.44 2g3p s ILE 97 N -0.71 2.76 0.43 4.25 -4.36 -0.28 -4.87 121.20 118.41 2g3p s ILE 97 Ca 0.60 -1.61 -0.26 0.00 -0.26 0.00 0.00 60.65 59.13 2g3p s ILE 97 Cb -0.61 -2.28 -0.08 0.00 1.25 0.00 0.00 42.46 40.74 2g3p s ILE 97 CO 0.57 0.05 1.37 -2.84 0.24 0.00 0.00 174.94 174.33 2g3p s PRO 98 N -2.27 3.82 0.14 0.37 0.02 -1.26 0.07 135.00 135.89 2g3p s PRO 98 Ca 0.19 2.29 -0.04 0.00 0.02 0.00 0.00 61.00 63.46 2g3p s PRO 98 Cb -0.10 -2.70 0.02 0.00 0.02 0.00 0.00 34.50 31.73 2g3p s PRO 98 CO 0.10 -0.66 0.25 0.41 -0.33 0.00 0.00 177.00 176.77 2g3p n GLY 99 N 0.62 1.96 3.13 0.52 0.00 0.14 -4.57 105.19 107.00 2g3p n GLY 99 Ca 0.04 -1.20 -0.15 0.00 0.00 0.00 0.00 46.02 44.71 2g3p n GLY 99 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2g3p s TYR 100 N -5.92 0.95 -0.39 1.61 2.02 0.13 -1.14 117.35 114.61 2g3p s TYR 100 Ca 0.07 -0.57 -0.29 0.00 -0.37 0.00 0.00 57.07 55.92 2g3p s TYR 100 Cb -0.01 -0.54 0.01 0.00 -0.40 0.00 0.00 41.96 41.01 2g3p s TYR 100 CO 0.05 -0.02 1.45 0.99 -1.57 0.00 0.00 175.55 176.44 2g3p s THR 101 N -1.84 3.87 0.11 -0.71 2.01 0.20 -0.90 115.64 118.38 2g3p s THR 101 Ca -0.02 0.90 -0.26 0.00 0.31 0.00 0.00 61.69 62.62 2g3p s THR 101 Cb -0.07 -4.13 -0.07 0.00 0.01 0.00 0.00 72.50 68.24 2g3p s THR 101 CO 0.00 -0.69 0.82 -0.31 -0.69 0.00 0.00 174.62 173.75 2g3p s TYR 102 N 5.49 3.82 -0.09 4.92 1.51 0.23 -4.42 117.35 128.81 2g3p s TYR 102 Ca 0.63 1.61 -0.10 0.00 -1.01 0.00 0.00 57.07 58.20 2g3p s TYR 102 Cb -0.15 -2.86 -0.05 0.00 -0.11 0.00 0.00 41.96 38.80 2g3p s TYR 102 CO 0.32 0.35 0.23 0.42 -1.11 0.00 0.00 175.55 175.76 2g3p s ILE 103 N -0.45 5.34 -0.40 2.71 1.01 -1.26 -4.22 121.20 123.92 2g3p s ILE 103 Ca 0.39 0.43 -0.15 0.00 0.00 0.00 0.00 60.65 61.33 2g3p s ILE 103 Cb -0.22 -3.52 0.01 0.00 0.01 0.00 0.00 42.46 38.75 2g3p s ILE 103 CO 0.26 0.59 0.29 0.21 0.00 0.00 0.00 174.94 176.28 2g3p s ASN 104 N -0.90 6.10 0.58 3.58 3.84 -1.26 -4.95 114.94 121.94 2g3p s ASN 104 Ca 0.18 -0.82 0.28 0.00 0.21 0.00 0.00 52.86 52.70 2g3p s ASN 104 Cb -0.14 -2.16 1.75 0.00 -0.55 0.00 0.00 41.25 40.16 2g3p s ASN 104 CO 0.07 -0.42 2.23 -0.65 -2.79 0.00 0.00 177.10 175.54 2g3p h PRO 105 N 8.61 0.00 -0.70 0.43 0.11 -1.95 -2.52 132.00 135.98 2g3p h PRO 105 Ca -0.28 0.00 -0.49 0.00 0.11 0.00 0.00 66.00 65.35 2g3p h PRO 105 Cb 1.13 0.00 -0.32 0.00 0.11 0.00 0.00 31.00 31.92 2g3p h PRO 105 CO 0.71 0.00 -0.29 1.28 -0.21 0.00 0.00 178.00 179.49 2g3p n LEU 106 N -3.93 5.30 -0.15 2.35 4.77 -1.26 -0.54 117.00 123.55 2g3p n LEU 106 Ca -0.03 -4.43 0.15 0.00 -0.03 0.00 0.00 56.01 51.67 2g3p n LEU 106 Cb 0.10 -0.55 0.72 0.00 -2.33 0.00 0.00 43.42 41.37 2g3p n LEU 106 CO 0.28 1.78 0.96 -0.90 -1.33 0.00 0.00 177.39 178.19 2g3p n ASP 107 N -0.85 0.51 -0.18 -1.43 5.68 -0.95 -4.89 116.55 114.43 2g3p n ASP 107 Ca 0.45 -0.90 -0.02 0.00 -0.50 0.00 0.00 54.79 53.82 2g3p n ASP 107 Cb 0.90 -0.04 -0.01 0.00 -1.14 0.00 0.00 41.12 40.83 2g3p n ASP 107 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2g3p n GLY 108 N 1.16 0.56 0.04 6.12 0.00 -1.18 -4.92 105.19 106.98 2g3p n GLY 108 Ca 0.19 -0.40 0.13 0.00 0.00 0.00 0.00 46.02 45.94 2g3p n GLY 108 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2g3p n THR 109 N -2.81 0.29 -3.02 2.61 -2.24 -0.33 -4.07 114.28 104.71 2g3p n THR 109 Ca -0.02 -0.09 -0.17 0.00 -2.27 0.00 0.00 64.05 61.50 2g3p n THR 109 Cb 0.14 -0.57 -0.01 0.00 -2.10 0.00 0.00 70.33 67.78 2g3p n THR 109 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2g3p n TYR 110 N -1.81 -1.40 -2.01 4.78 9.36 0.56 -4.55 117.16 122.09 2g3p n TYR 110 Ca 0.06 -2.93 -0.41 0.00 3.32 0.00 0.00 57.90 57.94 2g3p n TYR 110 Cb 0.36 0.39 -0.02 0.00 -0.63 0.00 0.00 39.34 39.44 2g3p n TYR 110 CO 0.00 0.00 0.00 -1.25 0.22 0.00 0.00 176.86 175.83 2g3p s PRO 111 N -0.68 4.26 0.87 2.98 0.04 -1.26 -4.38 135.00 136.83 2g3p s PRO 111 Ca 0.34 2.30 -0.12 0.00 0.04 0.00 0.00 61.00 63.56 2g3p s PRO 111 Cb 0.23 -3.11 0.11 0.00 0.04 0.00 0.00 34.50 31.76 2g3p s PRO 111 CO -0.14 -0.43 1.09 -1.25 0.04 0.00 0.00 177.00 176.32 2g3p s PRO 112 N -0.31 1.52 -0.60 0.56 0.04 -1.26 -3.96 135.00 130.99 2g3p s PRO 112 Ca 0.60 0.76 0.00 0.00 0.04 0.00 0.00 61.00 62.40 2g3p s PRO 112 Cb -0.42 -1.84 0.00 0.00 0.04 0.00 0.00 34.50 32.28 2g3p s PRO 112 CO 0.43 -2.05 0.00 0.41 0.04 0.00 0.00 177.00 175.83 2g3p n GLY 113 N -1.44 0.61 3.65 0.56 0.00 0.25 -4.68 105.19 104.13 2g3p n GLY 113 Ca 0.07 -0.74 -0.29 0.00 0.00 0.00 0.00 46.02 45.06 2g3p n GLY 113 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2g3p s THR 114 N -2.25 1.13 0.12 2.61 -4.23 -0.52 -4.98 115.64 107.51 2g3p s THR 114 Ca 0.00 -2.00 -0.14 0.00 -1.18 0.00 0.00 61.69 58.37 2g3p s THR 114 Cb 0.00 -2.38 -0.06 0.00 1.34 0.00 0.00 72.50 71.40 2g3p s THR 114 CO 0.00 0.00 1.46 1.05 -0.54 0.00 0.00 174.62 176.59 2g3p h GLU 115 N 1.58 0.78 -0.27 3.99 4.11 -1.96 -2.84 114.58 119.97 2g3p h GLU 115 Ca -0.41 -0.38 -0.01 0.00 0.07 0.00 0.00 59.36 58.62 2g3p h GLU 115 Cb 1.29 -0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.53 2g3p h GLU 115 CO 0.70 1.00 0.12 -0.56 0.07 0.00 0.00 179.01 180.34 2g3p h GLN 116 N 0.56 0.39 -3.81 1.06 3.07 -1.97 -3.36 115.11 111.05 2g3p h GLN 116 Ca 0.06 -0.07 -0.64 0.00 0.09 0.00 0.00 58.65 58.10 2g3p h GLN 116 Cb 0.82 -0.07 -0.40 0.00 0.08 0.00 0.00 27.48 27.91 2g3p h GLN 116 CO 0.07 0.41 -0.69 1.21 0.09 0.00 0.00 178.83 179.92 2g3p s ASN 117 N -5.66 4.37 0.00 0.06 2.47 -1.22 -4.98 114.94 109.99 2g3p s ASN 117 Ca -0.13 -2.55 0.26 0.00 0.42 0.00 0.00 52.86 50.86 2g3p s ASN 117 Cb 0.08 -1.50 1.58 0.00 -1.45 0.00 0.00 41.25 39.96 2g3p s ASN 117 CO 0.72 -0.30 1.94 -0.81 -3.72 0.00 0.00 177.10 174.93 2g3p n PRO 118 N 3.71 0.86 -1.22 0.43 -0.04 -1.08 -1.16 135.00 136.50 2g3p n PRO 118 Ca 0.05 0.00 -0.35 0.00 -0.04 0.00 0.00 63.50 63.16 2g3p n PRO 118 Cb 0.37 -1.48 0.11 0.00 -0.04 0.00 0.00 33.50 32.45 2g3p n PRO 118 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2g3p n ALA 119 N -0.98 -0.30 -1.87 0.55 0.00 -1.26 -4.45 120.51 112.20 2g3p n ALA 119 Ca 0.20 -0.27 -0.42 0.00 0.00 0.00 0.00 53.44 52.95 2g3p n ALA 119 Cb 0.09 -2.15 -0.03 0.00 0.00 0.00 0.00 19.45 17.36 2g3p n ALA 119 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.50 178.71 2g3p s ASN 120 N -1.85 6.54 0.02 0.00 2.47 -1.26 -0.58 114.94 120.28 2g3p s ASN 120 Ca 0.72 2.62 0.27 0.00 0.42 0.00 0.00 52.86 56.89 2g3p s ASN 120 Cb -0.31 -2.58 1.12 0.00 -1.45 0.00 0.00 41.25 38.02 2g3p s ASN 120 CO 0.51 -0.89 1.85 -0.81 -3.72 0.00 0.00 177.10 174.04 2g3p n PRO 121 N 4.82 0.02 -2.98 0.43 -0.04 -1.26 -4.72 135.00 131.27 2g3p n PRO 121 Ca 0.15 0.06 -0.40 0.00 -0.04 0.00 0.00 63.50 63.27 2g3p n PRO 121 Cb 0.39 -1.53 -0.05 0.00 -0.04 0.00 0.00 33.50 32.27 2g3p n PRO 121 CO 0.00 0.00 0.00 -0.80 -0.04 0.00 0.00 175.50 174.66 2g3p s ASN 122 N -3.13 7.23 0.74 3.54 0.01 -1.26 -4.74 114.94 117.33 2g3p s ASN 122 Ca 0.13 1.47 -0.14 0.00 -0.71 0.00 0.00 52.86 53.61 2g3p s ASN 122 Cb 0.17 -2.47 0.05 0.00 0.41 0.00 0.00 41.25 39.40 2g3p s ASN 122 CO 0.50 0.03 1.15 -2.84 -1.51 0.00 0.00 177.10 174.43 2g3p s PRO 123 N -0.15 2.19 0.29 -0.60 0.02 -1.26 -4.71 135.00 130.79 2g3p s PRO 123 Ca 0.38 1.52 0.11 0.00 0.02 0.00 0.00 61.00 63.04 2g3p s PRO 123 Cb -0.21 -1.86 -0.05 0.00 0.02 0.00 0.00 34.50 32.40 2g3p s PRO 123 CO 0.23 -1.74 -0.15 -1.12 -0.33 0.00 0.00 177.00 173.89 2g3p s SER 124 N -2.51 3.76 -0.03 2.53 0.01 0.54 -4.96 113.70 113.04 2g3p s SER 124 Ca 0.69 -1.01 0.07 0.00 1.31 0.00 0.00 55.95 57.00 2g3p s SER 124 Cb -0.24 -0.38 -0.02 0.00 0.21 0.00 0.00 66.02 65.59 2g3p s SER 124 CO 0.48 -0.02 -0.24 -0.76 0.41 0.00 0.00 173.24 173.11 2g3p s LEU 125 N -3.56 2.18 -0.08 2.44 1.43 -1.26 -1.05 118.68 118.77 2g3p s LEU 125 Ca 0.31 -0.43 0.04 0.00 -1.03 0.00 0.00 54.13 53.02 2g3p s LEU 125 Cb -0.04 -1.39 0.00 0.00 0.03 0.00 0.00 46.19 44.80 2g3p s LEU 125 CO 0.16 0.31 -0.21 -1.61 0.23 0.00 0.00 176.35 175.24 2g3p s GLU 126 N -0.55 2.59 0.41 1.70 0.41 0.17 -4.94 118.70 118.50 2g3p s GLU 126 Ca 0.08 -0.75 0.17 0.00 -0.41 0.00 0.00 54.97 54.07 2g3p s GLU 126 Cb -0.11 -2.02 0.90 0.00 -1.78 0.00 0.00 34.13 31.12 2g3p s GLU 126 CO 0.00 0.16 1.87 0.93 -0.49 0.00 0.00 175.26 177.73 2g3p h GLU 127 N 6.69 0.00 -3.83 1.61 5.08 -1.86 0.26 114.58 122.53 2g3p h GLU 127 Ca -0.24 0.00 -0.13 0.00 -1.00 0.00 0.00 59.36 57.99 2g3p h GLU 127 Cb 1.22 0.00 -0.18 0.00 0.50 0.00 0.00 28.75 30.29 2g3p h GLU 127 CO 0.47 0.30 -0.55 -1.54 -1.00 0.00 0.00 179.01 176.69 2g3p s SER 128 N -6.65 0.19 0.06 1.42 1.04 -1.26 -4.78 113.70 103.73 2g3p s SER 128 Ca -0.02 -0.54 -0.34 0.00 0.48 0.00 0.00 55.95 55.53 2g3p s SER 128 Cb 0.13 0.21 -0.13 0.00 0.10 0.00 0.00 66.02 66.33 2g3p s SER 128 CO 0.68 -0.48 1.68 0.00 0.98 0.00 0.00 173.24 176.10 2g3p n GLN 129 N 0.86 2.12 -0.84 4.02 1.13 -1.26 -4.90 117.38 118.51 2g3p n GLN 129 Ca -0.19 0.77 -0.32 0.00 -1.94 0.00 0.00 57.00 55.31 2g3p n GLN 129 Cb 0.58 -2.56 0.15 0.00 0.11 0.00 0.00 30.24 28.52 2g3p n GLN 129 CO 0.00 0.00 0.00 -0.35 -1.44 0.00 0.00 177.06 175.27 2g3p n PRO 130 N 4.57 -0.22 0.11 -1.09 -0.05 -1.26 -4.94 135.00 132.13 2g3p n PRO 130 Ca 0.19 0.01 0.12 0.00 -0.05 0.00 0.00 63.50 63.77 2g3p n PRO 130 Cb 0.29 -2.36 0.25 0.00 -0.05 0.00 0.00 33.50 31.62 2g3p n PRO 130 CO 0.00 0.00 0.00 -0.07 -0.05 0.00 0.00 175.50 175.38 2g3p h LEU 131 N -1.51 0.00 -4.91 1.53 3.38 -1.89 -3.38 115.31 108.53 2g3p h LEU 131 Ca -0.44 -0.06 -0.73 0.00 0.09 0.00 0.00 57.88 56.73 2g3p h LEU 131 Cb 1.28 0.00 -0.30 0.00 0.09 0.00 0.00 40.66 41.73 2g3p h LEU 131 CO 0.42 0.03 0.69 -0.46 0.09 0.00 0.00 178.44 179.22 2g3p n ASN 132 N -2.42 6.94 -4.80 -0.43 6.94 -1.25 -3.81 115.26 116.44 2g3p n ASN 132 Ca 0.04 -3.81 -0.22 0.00 -0.02 0.00 0.00 54.58 50.57 2g3p n ASN 132 Cb 0.46 -0.94 -0.05 0.00 -2.36 0.00 0.00 39.78 36.89 2g3p n ASN 132 CO 0.00 0.00 0.00 0.42 -1.03 0.00 0.00 177.26 176.65 2g3p s THR 133 N -5.17 4.31 0.04 5.53 -4.23 -1.26 -4.55 115.64 110.30 2g3p s THR 133 Ca 0.51 -1.46 0.02 0.00 -1.18 0.00 0.00 61.69 59.58 2g3p s THR 133 Cb 0.43 -3.33 -0.02 0.00 1.34 0.00 0.00 72.50 70.91 2g3p s THR 133 CO -0.37 -0.35 -0.08 0.72 -0.54 0.00 0.00 174.62 174.00 2g3p s PHE 134 N -2.16 0.67 -0.22 3.99 -0.71 -0.13 -1.45 117.98 117.97 2g3p s PHE 134 Ca 0.33 -0.48 -0.07 0.00 -1.04 0.00 0.00 56.93 55.67 2g3p s PHE 134 Cb -0.08 -0.40 -0.03 0.00 -1.21 0.00 0.00 43.02 41.30 2g3p s PHE 134 CO 0.24 -0.08 0.05 1.41 -1.34 0.00 0.00 175.22 175.50 2g3p s MET 135 N -1.52 3.70 -0.09 1.99 1.75 0.42 -0.24 119.30 125.31 2g3p s MET 135 Ca -0.09 -0.47 -0.01 0.00 -1.25 0.00 0.00 55.69 53.87 2g3p s MET 135 Cb -0.10 -3.23 0.03 0.00 2.84 0.00 0.00 34.83 34.37 2g3p s MET 135 CO 0.00 -0.04 -0.04 0.12 -0.65 0.00 0.00 175.02 174.41 2g3p s PHE 136 N 1.20 1.04 -1.46 4.11 5.36 -0.68 -2.14 117.98 125.41 2g3p s PHE 136 Ca 0.04 -0.43 -0.04 0.00 -0.96 0.00 0.00 56.93 55.54 2g3p s PHE 136 Cb -0.14 -0.99 0.03 0.00 -0.34 0.00 0.00 43.02 41.58 2g3p s PHE 136 CO 0.03 -0.40 0.54 1.04 -1.46 0.00 0.00 175.22 174.96 2g3p n GLN 137 N 4.96 -3.55 -1.51 10.12 6.02 -1.26 -1.32 117.38 130.84 2g3p n GLN 137 Ca -0.11 0.43 -0.17 0.00 -0.01 0.00 0.00 57.00 57.14 2g3p n GLN 137 Cb 0.50 -4.74 -0.07 0.00 1.02 0.00 0.00 30.24 26.95 2g3p n GLN 137 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 177.06 176.14 2g3p n ASN 138 N -2.93 -5.09 -4.44 1.08 4.13 -1.26 -5.00 115.26 101.75 2g3p n ASN 138 Ca -0.22 0.43 -0.29 0.00 1.68 0.00 0.00 54.58 56.17 2g3p n ASN 138 Cb 0.64 -4.12 -0.12 0.00 -1.54 0.00 0.00 39.78 34.64 2g3p n ASN 138 CO 0.00 0.00 0.00 0.20 0.28 0.00 0.00 177.26 177.74 2g3p s ASN 139 N -2.81 3.62 -0.22 6.41 0.01 -0.43 -5.12 114.94 116.39 2g3p s ASN 139 Ca 0.00 -0.64 -0.09 0.00 -0.71 0.00 0.00 52.86 51.43 2g3p s ASN 139 Cb 0.00 -0.40 -0.04 0.00 0.41 0.00 0.00 41.25 41.22 2g3p s ASN 139 CO 0.00 0.18 0.10 -0.60 -1.51 0.00 0.00 177.10 175.28 2g3p s ARG 140 N -2.06 3.92 0.25 -0.60 3.52 -1.26 -1.69 118.95 121.02 2g3p s ARG 140 Ca 0.16 -0.36 0.11 0.00 -0.13 0.00 0.00 55.73 55.51 2g3p s ARG 140 Cb -0.10 -3.37 -0.05 0.00 -1.56 0.00 0.00 34.95 29.87 2g3p s ARG 140 CO 0.08 0.06 -0.19 -0.06 -0.81 0.00 0.00 175.30 174.38 2g3p s PHE 141 N 0.99 2.11 0.04 5.12 0.08 0.66 -0.30 117.98 126.69 2g3p s PHE 141 Ca 0.05 -0.40 0.05 0.00 0.12 0.00 0.00 56.93 56.75 2g3p s PHE 141 Cb -0.14 -0.94 -0.02 0.00 -0.57 0.00 0.00 43.02 41.35 2g3p s PHE 141 CO 0.03 0.59 -0.15 1.03 -0.10 0.00 0.00 175.22 176.62 2g3p s ARG 142 N -3.46 1.01 -0.16 0.44 0.52 -0.52 -0.95 118.95 115.83 2g3p s ARG 142 Ca 0.27 -0.80 0.02 0.00 -0.52 0.00 0.00 55.73 54.69 2g3p s ARG 142 Cb -0.04 -1.04 0.02 0.00 0.52 0.00 0.00 34.95 34.41 2g3p s ARG 142 CO 0.12 0.26 -0.20 1.21 0.02 0.00 0.00 175.30 176.71 2g3p s ASN 143 N -1.18 3.05 -0.58 0.23 2.47 -1.26 -1.33 114.94 116.33 2g3p s ASN 143 Ca 0.02 -0.61 0.04 0.00 0.42 0.00 0.00 52.86 52.74 2g3p s ASN 143 Cb -0.08 -1.42 0.15 0.00 -1.45 0.00 0.00 41.25 38.44 2g3p s ASN 143 CO 0.01 0.03 0.35 -0.13 -3.72 0.00 0.00 177.10 173.63 2g3p s ARG 144 N 1.12 2.10 -1.34 0.43 0.52 -0.19 -4.81 118.95 116.78 2g3p s ARG 144 Ca -0.00 -2.85 -0.02 0.00 -0.52 0.00 0.00 55.73 52.34 2g3p s ARG 144 Cb -0.14 -3.28 0.01 0.00 0.52 0.00 0.00 34.95 32.07 2g3p s ARG 144 CO -0.08 -1.18 0.71 1.04 0.02 0.00 0.00 175.30 175.81 2g3p n GLN 145 N 2.71 -4.88 -0.12 3.54 6.02 -1.26 -1.95 117.38 121.44 2g3p n GLN 145 Ca 0.11 0.60 0.00 0.00 -0.01 0.00 0.00 57.00 57.70 2g3p n GLN 145 Cb 0.33 -5.17 0.00 0.00 1.02 0.00 0.00 30.24 26.42 2g3p n GLN 145 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2g3p n GLY 146 N -1.62 0.84 3.54 1.08 0.00 -1.26 -5.04 105.19 102.73 2g3p n GLY 146 Ca -0.26 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.36 2g3p n GLY 146 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2g3p s ALA 147 N -2.43 3.51 -0.10 4.61 0.00 -0.82 -5.07 121.76 121.46 2g3p s ALA 147 Ca 0.00 -1.32 -0.07 0.00 0.00 0.00 0.00 51.96 50.57 2g3p s ALA 147 Cb 0.00 -2.64 -0.04 0.00 0.00 0.00 0.00 23.12 20.44 2g3p s ALA 147 CO 0.00 -0.89 0.16 -0.51 0.00 0.00 0.00 175.76 174.52 2g3p s LEU 148 N 1.74 4.40 0.13 0.00 1.43 -1.26 -1.02 118.68 124.09 2g3p s LEU 148 Ca 0.06 0.50 0.05 0.00 -1.03 0.00 0.00 54.13 53.72 2g3p s LEU 148 Cb -0.17 -2.14 -0.04 0.00 0.03 0.00 0.00 46.19 43.87 2g3p s LEU 148 CO 0.11 0.39 -0.13 0.42 0.23 0.00 0.00 176.35 177.37 2g3p s THR 149 N -1.05 1.27 0.03 5.49 -4.23 -0.44 -1.32 115.64 115.38 2g3p s THR 149 Ca 0.16 -1.80 0.05 0.00 -1.18 0.00 0.00 61.69 58.92 2g3p s THR 149 Cb -0.12 -1.60 -0.02 0.00 1.34 0.00 0.00 72.50 72.10 2g3p s THR 149 CO 0.06 -0.51 -0.14 0.54 -0.54 0.00 0.00 174.62 174.02 2g3p s VAL 150 N -2.45 1.15 -0.15 2.29 0.11 0.12 -1.44 120.40 120.03 2g3p s VAL 150 Ca 0.11 -0.94 -0.29 0.00 -2.93 0.00 0.00 61.98 57.93 2g3p s VAL 150 Cb -0.03 -1.02 -0.04 0.00 -1.53 0.00 0.00 36.38 33.76 2g3p s VAL 150 CO 0.02 0.08 1.61 -0.47 -3.33 0.00 0.00 175.10 173.01 2g3p s TYR 151 N -0.75 2.11 -0.39 1.54 5.04 0.59 -0.67 117.35 124.82 2g3p s TYR 151 Ca 0.03 0.45 0.05 0.00 -2.44 0.00 0.00 57.07 55.16 2g3p s TYR 151 Cb -0.07 -3.91 0.46 0.00 0.35 0.00 0.00 41.96 38.79 2g3p s TYR 151 CO 0.01 -3.20 1.40 0.25 -1.34 0.00 0.00 175.55 172.67 2g3p n THR 152 N 5.96 2.80 -2.00 4.34 -2.24 0.04 -4.75 114.28 118.44 2g3p n THR 152 Ca 0.18 -3.91 0.00 0.00 -2.27 0.00 0.00 64.05 58.05 2g3p n THR 152 Cb 0.44 -1.15 0.00 0.00 -2.10 0.00 0.00 70.33 67.53 2g3p n THR 152 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2g3p n GLY 153 N -0.76 -2.25 3.93 3.38 0.00 -1.24 -4.19 105.19 104.05 2g3p n GLY 153 Ca 0.49 -1.54 -0.28 0.00 0.00 0.00 0.00 46.02 44.69 2g3p n GLY 153 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2g3p s THR 154 N -0.45 5.21 0.12 2.61 -4.23 -1.26 -1.44 115.64 116.21 2g3p s THR 154 Ca 0.00 -0.36 0.03 0.00 -1.18 0.00 0.00 61.69 60.18 2g3p s THR 154 Cb 0.00 -3.73 -0.04 0.00 1.34 0.00 0.00 72.50 70.07 2g3p s THR 154 CO 0.00 -0.16 -0.07 0.68 -0.54 0.00 0.00 174.62 174.53 2g3p s VAL 155 N -1.85 0.85 0.23 2.29 -7.23 -0.29 -4.92 120.40 109.47 2g3p s VAL 155 Ca 0.38 -1.98 0.10 0.00 -1.81 0.00 0.00 61.98 58.67 2g3p s VAL 155 Cb -0.11 -1.80 -0.05 0.00 0.56 0.00 0.00 36.38 34.98 2g3p s VAL 155 CO 0.29 -0.78 -0.18 0.42 -0.31 0.00 0.00 175.10 174.54 2g3p s THR 156 N -3.53 2.11 -0.05 5.32 -4.23 -1.26 -0.49 115.64 113.51 2g3p s THR 156 Ca 0.15 -2.23 -0.02 0.00 -1.18 0.00 0.00 61.69 58.41 2g3p s THR 156 Cb 0.04 -2.12 0.03 0.00 1.34 0.00 0.00 72.50 71.80 2g3p s THR 156 CO -0.02 -0.43 0.11 -1.58 -0.54 0.00 0.00 174.62 172.16 2g3p s GLN 157 N -3.36 0.06 0.05 3.99 -0.44 -0.04 -4.97 119.66 114.93 2g3p s GLN 157 Ca 0.24 0.30 0.00 0.00 -2.50 0.00 0.00 55.36 53.40 2g3p s GLN 157 Cb -0.04 -0.18 0.00 0.00 -1.64 0.00 0.00 33.01 31.15 2g3p s GLN 157 CO 0.10 -0.15 0.00 0.41 0.50 0.00 0.00 175.29 176.15 2g3p n GLY 158 N 4.09 -1.55 2.98 2.59 0.00 -1.26 -1.28 105.19 110.76 2g3p n GLY 158 Ca -0.26 -1.48 -0.12 0.00 0.00 0.00 0.00 46.02 44.17 2g3p n GLY 158 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2g3p s THR 159 N -1.45 0.02 -0.81 2.61 2.01 -1.26 -4.32 115.64 112.43 2g3p s THR 159 Ca 0.00 -0.19 -0.01 0.00 0.31 0.00 0.00 61.69 61.80 2g3p s THR 159 Cb 0.00 -0.18 0.00 0.00 0.01 0.00 0.00 72.50 72.33 2g3p s THR 159 CO 0.00 -0.10 0.65 -0.67 -0.69 0.00 0.00 174.62 173.81 2g3p n ASP 160 N 2.68 -5.96 -4.94 3.53 2.03 -1.26 -4.57 116.55 108.07 2g3p n ASP 160 Ca -0.15 -0.64 -0.26 0.00 0.52 0.00 0.00 54.79 54.26 2g3p n ASP 160 Cb 0.58 -3.10 -0.03 0.00 -0.72 0.00 0.00 41.12 37.86 2g3p n ASP 160 CO 0.00 0.00 0.00 -2.16 -1.92 0.00 0.00 177.20 173.12 2g3p s PRO 161 N -4.30 3.47 -0.11 -0.67 0.04 -1.26 -5.13 135.00 127.05 2g3p s PRO 161 Ca 0.03 -0.50 -0.30 0.00 0.04 0.00 0.00 61.00 60.27 2g3p s PRO 161 Cb -0.01 -2.89 -0.02 0.00 0.04 0.00 0.00 34.50 31.62 2g3p s PRO 161 CO 0.84 0.44 1.15 0.08 0.04 0.00 0.00 177.00 179.55 2g3p s VAL 162 N -1.85 4.42 -0.10 -0.36 1.01 -1.26 -4.74 120.40 117.52 2g3p s VAL 162 Ca 0.36 1.73 -0.16 0.00 0.00 0.00 0.00 61.98 63.91 2g3p s VAL 162 Cb -0.11 -4.11 -0.05 0.00 0.00 0.00 0.00 36.38 32.11 2g3p s VAL 162 CO 0.29 -0.04 0.41 -0.54 0.00 0.00 0.00 175.10 175.22 2g3p s LYS 163 N 2.51 4.21 -0.11 2.72 1.02 -0.40 -4.94 119.74 124.74 2g3p s LYS 163 Ca 0.53 0.34 -0.02 0.00 0.02 0.00 0.00 55.97 56.84 2g3p s LYS 163 Cb -0.22 -3.38 -0.03 0.00 -0.52 0.00 0.00 37.83 33.69 2g3p s LYS 163 CO 0.18 0.32 -0.02 0.99 -0.92 0.00 0.00 175.35 175.89 2g3p s THR 164 N 0.14 4.06 0.11 2.17 2.01 -1.26 -0.87 115.64 122.01 2g3p s THR 164 Ca 0.23 -0.32 0.07 0.00 0.31 0.00 0.00 61.69 61.97 2g3p s THR 164 Cb -0.15 -2.73 -0.04 0.00 0.01 0.00 0.00 72.50 69.59 2g3p s THR 164 CO 0.09 0.55 -0.16 -0.31 -0.69 0.00 0.00 174.62 174.10 2g3p s TYR 165 N -0.34 1.52 -0.25 4.92 2.02 0.36 -4.75 117.35 120.83 2g3p s TYR 165 Ca 0.06 -0.49 -0.14 0.00 -0.37 0.00 0.00 57.07 56.14 2g3p s TYR 165 Cb -0.12 -0.81 -0.04 0.00 -0.40 0.00 0.00 41.96 40.59 2g3p s TYR 165 CO 0.02 0.17 0.30 0.71 -1.57 0.00 0.00 175.55 175.18 2g3p s TYR 166 N -1.68 3.29 -0.17 2.71 1.51 0.91 -1.14 117.35 122.78 2g3p s TYR 166 Ca 0.07 0.38 -0.11 0.00 -1.01 0.00 0.00 57.07 56.40 2g3p s TYR 166 Cb -0.07 -2.46 -0.05 0.00 -0.11 0.00 0.00 41.96 39.27 2g3p s TYR 166 CO 0.04 -0.09 0.20 -1.14 -1.11 0.00 0.00 175.55 173.45 2g3p s GLN 167 N 1.58 4.11 -0.22 -0.62 0.74 -0.52 -0.65 119.66 124.08 2g3p s GLN 167 Ca 0.13 -0.07 -0.04 0.00 0.05 0.00 0.00 55.36 55.43 2g3p s GLN 167 Cb -0.15 -3.39 -0.01 0.00 1.10 0.00 0.00 33.01 30.57 2g3p s GLN 167 CO 0.08 0.35 -0.05 0.71 -0.55 0.00 0.00 175.29 175.83 2g3p s TYR 168 N 0.18 2.95 -0.10 1.67 1.51 -0.22 -0.78 117.35 122.56 2g3p s TYR 168 Ca 0.12 -0.97 -0.01 0.00 -1.01 0.00 0.00 57.07 55.20 2g3p s TYR 168 Cb -0.12 -2.10 -0.03 0.00 -0.11 0.00 0.00 41.96 39.60 2g3p s TYR 168 CO 0.01 -0.56 -0.04 0.99 -1.11 0.00 0.00 175.55 174.85 2g3p s THR 169 N 1.47 3.94 0.20 -0.71 2.01 0.15 -0.34 115.64 122.36 2g3p s THR 169 Ca 0.06 -0.37 -0.33 0.00 0.31 0.00 0.00 61.69 61.36 2g3p s THR 169 Cb -0.14 -2.66 -0.13 0.00 0.01 0.00 0.00 72.50 69.57 2g3p s THR 169 CO -0.04 0.57 1.54 -0.81 -0.69 0.00 0.00 174.62 175.19 2g3p n PRO 170 N 2.62 2.22 -2.13 4.92 -0.04 -1.26 0.13 135.00 141.46 2g3p n PRO 170 Ca -0.18 0.80 -0.41 0.00 -0.04 0.00 0.00 63.50 63.67 2g3p n PRO 170 Cb 0.53 -2.54 -0.02 0.00 -0.04 0.00 0.00 33.50 31.42 2g3p n PRO 170 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 2g3p s VAL 171 N 0.55 2.86 -0.08 0.52 1.01 -0.44 -4.81 120.40 120.01 2g3p s VAL 171 Ca 0.74 0.79 0.12 0.00 0.00 0.00 0.00 61.98 63.63 2g3p s VAL 171 Cb -0.64 -3.50 0.19 0.00 0.00 0.00 0.00 36.38 32.43 2g3p s VAL 171 CO 0.42 0.15 1.08 -1.54 0.00 0.00 0.00 175.10 175.22 2g3p n SER 172 N 1.66 1.97 -4.61 3.32 3.41 0.30 -4.62 113.62 115.05 2g3p n SER 172 Ca 0.03 -2.67 -0.39 0.00 -0.26 0.00 0.00 58.87 55.58 2g3p n SER 172 Cb 0.42 -0.30 -0.08 0.00 -0.26 0.00 0.00 64.21 63.99 2g3p n SER 172 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 2g3p s SER 173 N -2.18 6.32 0.17 4.04 0.15 -1.00 -0.32 113.70 120.88 2g3p s SER 173 Ca 0.21 0.38 -0.12 0.00 0.70 0.00 0.00 55.95 57.11 2g3p s SER 173 Cb 0.18 -2.23 0.07 0.00 -1.71 0.00 0.00 66.02 62.33 2g3p s SER 173 CO 0.02 -0.21 1.74 0.50 1.20 0.00 0.00 173.24 176.49 2g3p h LYS 174 N 8.07 0.85 -0.89 5.44 1.63 -1.88 -2.54 116.57 127.26 2g3p h LYS 174 Ca -0.31 -0.14 0.05 0.00 -0.85 0.00 0.00 60.65 59.39 2g3p h LYS 174 Cb 1.16 -0.14 -0.06 0.00 -0.60 0.00 0.00 32.23 32.58 2g3p h LYS 174 CO 0.67 0.72 0.57 0.00 -3.45 0.00 0.00 179.45 177.96 2g3p h ALA 175 N 1.09 1.19 -0.54 5.00 0.00 -1.95 0.20 119.26 124.25 2g3p h ALA 175 Ca 0.20 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 55.07 2g3p h ALA 175 Cb 0.17 -0.28 -0.03 0.00 0.00 0.00 0.00 17.79 17.65 2g3p h ALA 175 CO -0.02 0.38 0.30 1.98 0.00 0.00 0.00 179.25 181.88 2g3p h MET 176 N 1.07 0.76 -0.25 0.00 1.85 -1.87 -1.69 114.93 114.80 2g3p h MET 176 Ca 0.37 -0.09 -0.10 0.00 -0.61 0.00 0.00 59.70 59.26 2g3p h MET 176 Cb 0.08 -0.15 -0.01 0.00 0.43 0.00 0.00 31.60 31.95 2g3p h MET 176 CO -0.14 0.59 -0.29 1.88 -0.40 0.00 0.00 176.91 178.54 2g3p h TYR 177 N 0.73 0.57 -0.41 1.39 0.05 -0.98 -1.91 116.97 116.40 2g3p h TYR 177 Ca 0.19 -0.13 0.00 0.00 0.05 0.00 0.00 58.73 58.84 2g3p h TYR 177 Cb 0.05 -0.14 -0.02 0.00 1.01 0.00 0.00 36.73 37.63 2g3p h TYR 177 CO -0.01 0.74 0.26 -0.44 -1.05 0.00 0.00 178.16 177.66 2g3p h ASP 178 N 0.44 0.48 -0.23 3.88 3.32 -0.33 0.26 116.42 124.24 2g3p h ASP 178 Ca 0.06 -0.03 0.02 0.00 0.02 0.00 0.00 57.03 57.10 2g3p h ASP 178 Cb 0.73 -0.12 -0.02 0.00 0.22 0.00 0.00 39.33 40.13 2g3p h ASP 178 CO 0.06 0.36 0.07 0.00 -1.72 0.00 0.00 179.24 178.01 2g3p h ALA 179 N 1.14 0.25 -0.05 3.45 0.00 -1.05 0.13 119.26 123.12 2g3p h ALA 179 Ca 0.15 0.03 0.02 0.00 0.00 0.00 0.00 54.91 55.11 2g3p h ALA 179 Cb -0.04 0.02 -0.03 0.00 0.00 0.00 0.00 17.79 17.74 2g3p h ALA 179 CO -0.03 -0.35 -0.10 -0.92 0.00 0.00 0.00 179.25 177.85 2g3p h TYR 180 N 0.17 -0.25 0.00 0.00 3.20 -0.92 -2.05 116.97 117.13 2g3p h TYR 180 Ca 0.10 0.01 -0.02 0.00 3.14 0.00 0.00 58.73 61.96 2g3p h TYR 180 Cb 0.07 0.12 -0.00 0.00 1.54 0.00 0.00 36.73 38.46 2g3p h TYR 180 CO -0.13 -0.15 -0.10 -1.49 -1.64 0.00 0.00 178.16 174.66 2g3p h TRP 181 N -0.15 0.00 -0.04 -3.82 6.55 -0.14 -1.18 115.95 117.17 2g3p h TRP 181 Ca 0.05 0.00 0.00 0.00 0.95 0.00 0.00 58.89 59.89 2g3p h TRP 181 Cb 0.22 0.00 0.00 0.00 -0.86 0.00 0.00 29.16 28.52 2g3p h TRP 181 CO -0.18 0.10 0.00 0.09 -1.05 0.00 0.00 178.44 177.39 2g3p n ASN 182 N -3.49 0.38 -0.75 -3.49 3.02 0.42 -4.89 115.26 106.46 2g3p n ASN 182 Ca -0.01 -1.56 -0.08 0.00 -0.03 0.00 0.00 54.58 52.89 2g3p n ASN 182 Cb 0.24 -0.03 -0.02 0.00 -0.61 0.00 0.00 39.78 39.36 2g3p n ASN 182 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2g3p n GLY 183 N 0.83 0.58 0.08 7.41 0.00 -0.45 -4.93 105.19 108.71 2g3p n GLY 183 Ca 0.13 -0.62 0.13 0.00 0.00 0.00 0.00 46.02 45.65 2g3p n GLY 183 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2g3p n LYS 184 N -2.33 0.17 -0.73 1.61 4.76 -0.83 -3.45 118.16 117.37 2g3p n LYS 184 Ca -0.09 0.21 -0.02 0.00 -2.87 0.00 0.00 58.31 55.54 2g3p n LYS 184 Cb 0.40 -1.72 0.21 0.00 -1.84 0.00 0.00 35.03 32.07 2g3p n LYS 184 CO 0.00 0.00 0.00 1.19 -1.37 0.00 0.00 177.40 177.22 2g3p n PHE 185 N -2.01 1.00 0.12 2.13 3.72 -1.26 -4.47 117.46 116.67 2g3p n PHE 185 Ca 0.05 -1.48 0.05 0.00 -0.05 0.00 0.00 57.45 56.03 2g3p n PHE 185 Cb 0.35 -0.45 0.50 0.00 -0.94 0.00 0.00 39.48 38.94 2g3p n PHE 185 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 2g3p h ARG 186 N 1.08 0.29 0.00 -1.08 3.08 -1.93 0.19 114.38 116.01 2g3p h ARG 186 Ca 0.18 -0.02 0.00 0.00 0.07 0.00 0.00 59.98 60.20 2g3p h ARG 186 Cb 1.59 -0.06 0.00 0.00 0.08 0.00 0.00 29.97 31.58 2g3p h ARG 186 CO 0.34 0.22 -0.10 -0.40 -1.07 0.00 0.00 179.97 178.96 2g3p n ASP 187 N -4.48 0.28 0.00 7.04 5.75 -1.26 -4.48 116.55 119.40 2g3p n ASP 187 Ca 0.00 0.39 0.00 0.00 -0.01 0.00 0.00 54.79 55.17 2g3p n ASP 187 Cb 0.10 -0.42 0.00 0.00 -1.03 0.00 0.00 41.12 39.76 2g3p n ASP 187 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 2g3p n ALA 189 N -0.36 2.50 -1.65 0.00 0.00 0.57 -4.20 120.51 117.37 2g3p n ALA 189 Ca 0.00 -0.62 0.06 0.00 0.00 0.00 0.00 53.44 52.87 2g3p n ALA 189 Cb 0.00 -1.03 0.12 0.00 0.00 0.00 0.00 19.45 18.54 2g3p n ALA 189 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 2g3p n PHE 190 N 0.66 0.00 -4.09 0.00 3.72 -1.26 -4.60 117.46 111.88 2g3p n PHE 190 Ca 0.17 -0.89 -0.35 0.00 -0.05 0.00 0.00 57.45 56.33 2g3p n PHE 190 Cb 0.42 -0.16 -0.09 0.00 -0.94 0.00 0.00 39.48 38.71 2g3p n PHE 190 CO 0.00 0.00 0.00 -1.01 -0.05 0.00 0.00 176.76 175.70 2g3p s HIS 191 N -1.98 3.32 0.11 1.38 3.76 -1.26 -5.02 115.29 115.60 2g3p s HIS 191 Ca 0.28 0.24 -0.33 0.00 -0.15 0.00 0.00 55.06 55.11 2g3p s HIS 191 Cb 0.28 -1.94 -0.13 0.00 1.11 0.00 0.00 32.58 31.90 2g3p s HIS 191 CO -0.04 0.42 1.57 0.66 -0.85 0.00 0.00 174.74 176.51 2g3p h SER 192 N 5.70 -1.38 0.00 1.40 4.64 -1.95 -3.43 113.55 118.54 2g3p h SER 192 Ca -0.47 0.14 0.00 0.00 -0.47 0.00 0.00 61.79 61.00 2g3p h SER 192 Cb 1.19 0.51 0.00 0.00 -0.31 0.00 0.00 62.40 63.79 2g3p h SER 192 CO 0.62 -0.54 0.00 0.61 -0.87 0.00 0.00 176.83 176.65 2g3p n GLY 193 N -1.49 0.33 0.00 -0.77 0.00 -1.26 -3.74 105.19 98.26 2g3p n GLY 193 Ca -0.08 -1.10 0.00 0.00 0.00 0.00 0.00 46.02 44.84 2g3p n GLY 193 CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 173.32 175.29 2g3p n PHE 194 N 0.00 0.00 0.00 1.61 -1.74 -1.25 -4.88 117.46 111.20 2g3p n PHE 194 Ca 0.00 0.00 0.00 0.00 -0.56 0.00 0.00 57.45 56.89 2g3p n PHE 194 Cb 0.00 0.00 0.00 0.00 1.52 0.00 0.00 39.48 41.00 2g3p n PHE 194 CO 0.00 0.00 0.00 0.09 -0.56 0.00 0.00 176.76 176.29 2g3p n ASN 195 N 0.00 0.00 0.00 5.98 5.03 -1.26 -5.06 115.26 119.95 2g3p n ASN 195 Ca 0.00 0.00 0.00 0.00 0.87 0.00 0.00 54.58 55.45 2g3p n ASN 195 Cb 0.00 0.00 0.00 0.00 -1.02 0.00 0.00 39.78 38.76 2g3p n ASN 195 CO 0.00 0.00 0.00 -0.62 -1.83 0.00 0.00 177.26 174.81 2g3p n GLU 196 N -0.62 0.00 0.00 3.52 1.02 -1.26 -5.20 120.64 118.10 2g3p n GLU 196 Ca 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.14 2g3p n GLU 196 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.42 2g3p n GLU 196 CO 0.00 0.00 0.00 -0.25 1.18 0.00 0.00 177.13 178.06 2g3p n ASP 197 N 0.00 0.00 -4.78 1.62 8.00 -1.26 -4.88 116.55 115.25 2g3p n ASP 197 Ca 0.00 0.00 -0.35 0.00 0.71 0.00 0.00 54.79 55.15 2g3p n ASP 197 Cb 0.00 0.00 -0.03 0.00 -0.02 0.00 0.00 41.12 41.07 2g3p n ASP 197 CO 0.00 0.00 0.00 -2.16 -0.39 0.00 0.00 177.20 174.65 2g3p s PRO 198 N 4.95 3.84 -0.22 -0.24 0.04 -1.26 -4.71 135.00 137.40 2g3p s PRO 198 Ca 0.00 1.52 -0.28 0.00 0.04 0.00 0.00 61.00 62.28 2g3p s PRO 198 Cb 0.00 -2.28 0.00 0.00 0.04 0.00 0.00 34.50 32.27 2g3p s PRO 198 CO 0.00 -0.42 0.96 -0.06 0.04 0.00 0.00 177.00 177.52 2g3p s PHE 199 N -1.77 3.35 -0.32 0.56 0.08 -0.53 -4.80 117.98 114.54 2g3p s PHE 199 Ca 0.64 1.37 -0.28 0.00 0.12 0.00 0.00 56.93 58.78 2g3p s PHE 199 Cb -0.21 -3.19 0.01 0.00 -0.57 0.00 0.00 43.02 39.07 2g3p s PHE 199 CO 0.26 -0.43 1.02 0.08 -0.10 0.00 0.00 175.22 176.05 2g3p s VAL 200 N 2.97 4.55 0.49 -0.44 1.01 -1.26 -0.44 120.40 127.28 2g3p s VAL 200 Ca 0.41 1.60 -0.23 0.00 0.00 0.00 0.00 61.98 63.76 2g3p s VAL 200 Cb -0.15 -4.37 -0.06 0.00 0.00 0.00 0.00 36.38 31.79 2g3p s VAL 200 CO 0.07 -0.46 1.28 0.00 0.00 0.00 0.00 175.10 175.99 2g3p h GLU 202 N 1.87 0.54 -6.03 0.00 5.08 -1.91 -3.42 114.58 110.71 2g3p h GLU 202 Ca -0.50 -0.30 -0.57 0.00 -1.00 0.00 0.00 59.36 56.99 2g3p h GLU 202 Cb 1.27 0.02 -0.06 0.00 0.50 0.00 0.00 28.75 30.49 2g3p h GLU 202 CO 0.59 0.90 0.28 -0.47 -1.00 0.00 0.00 179.01 179.31 2g3p s TYR 203 N -4.11 3.51 -0.09 4.33 5.04 -1.26 -4.92 117.35 119.85 2g3p s TYR 203 Ca -0.07 1.31 0.12 0.00 -2.44 0.00 0.00 57.07 55.99 2g3p s TYR 203 Cb 0.12 -2.95 0.22 0.00 0.35 0.00 0.00 41.96 39.70 2g3p s TYR 203 CO 0.83 -0.09 1.11 1.04 -1.34 0.00 0.00 175.55 177.09 2g3p n GLN 204 N 4.55 0.80 0.00 4.97 1.13 -1.26 -4.82 117.38 122.75 2g3p n GLN 204 Ca 0.03 -2.10 0.00 0.00 -1.94 0.00 0.00 57.00 52.98 2g3p n GLN 204 Cb 0.50 -1.08 0.00 0.00 0.11 0.00 0.00 30.24 29.77 2g3p n GLN 204 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 2g3p n GLY 205 N -0.79 1.52 3.70 1.08 0.00 -1.26 -4.75 105.19 104.68 2g3p n GLY 205 Ca 0.10 -2.05 -0.42 0.00 0.00 0.00 0.00 46.02 43.65 2g3p n GLY 205 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 2g3p s GLN 206 N -1.90 4.29 0.42 1.61 2.00 -1.26 -4.82 119.66 119.99 2g3p s GLN 206 Ca 0.00 2.06 -0.26 0.00 -2.00 0.00 0.00 55.36 55.16 2g3p s GLN 206 Cb 0.00 -3.43 -0.09 0.00 0.80 0.00 0.00 33.01 30.29 2g3p s GLN 206 CO 0.00 -0.54 1.35 -1.12 -0.50 0.00 0.00 175.29 174.48 2g3p s SER 207 N 1.61 6.20 -0.27 6.67 0.01 -1.26 -0.63 113.70 126.03 2g3p s SER 207 Ca 0.66 2.75 -0.25 0.00 1.31 0.00 0.00 55.95 60.41 2g3p s SER 207 Cb -0.35 -2.64 0.10 0.00 0.21 0.00 0.00 66.02 63.34 2g3p s SER 207 CO 0.29 -0.94 0.92 -0.55 0.41 0.00 0.00 173.24 173.38 2g3p s SER 208 N -0.64 -0.55 0.30 2.44 0.15 -0.29 -4.79 113.70 110.31 2g3p s SER 208 Ca 0.58 1.04 -0.06 0.00 0.70 0.00 0.00 55.95 58.21 2g3p s SER 208 Cb -0.40 1.05 -0.06 0.00 -1.71 0.00 0.00 66.02 64.91 2g3p s SER 208 CO 0.52 -0.20 0.58 -1.81 1.20 0.00 0.00 173.24 173.53 2g3p s ASP 209 N 0.22 6.48 -0.18 5.45 1.11 -1.26 -0.69 116.67 127.79 2g3p s ASP 209 Ca 0.02 0.79 -0.05 0.00 0.18 0.00 0.00 52.55 53.49 2g3p s ASP 209 Cb -0.05 -2.18 -0.03 0.00 1.07 0.00 0.00 42.92 41.74 2g3p s ASP 209 CO -0.03 -0.21 -0.01 -0.76 1.18 0.00 0.00 175.17 175.34 2g3p s LEU 210 N -3.50 3.29 0.70 1.23 1.02 0.11 -4.89 118.68 116.64 2g3p s LEU 210 Ca 0.45 -0.16 -0.16 0.00 0.02 0.00 0.00 54.13 54.28 2g3p s LEU 210 Cb -0.11 -1.82 0.02 0.00 0.02 0.00 0.00 46.19 44.31 2g3p s LEU 210 CO 0.29 0.11 1.23 -2.16 0.02 0.00 0.00 176.35 175.84 2g3p s PRO 211 N 0.72 2.30 0.10 1.29 0.04 -1.26 -1.13 135.00 137.06 2g3p s PRO 211 Ca -0.00 1.86 0.03 0.00 0.04 0.00 0.00 61.00 62.92 2g3p s PRO 211 Cb -0.14 -1.84 -0.04 0.00 0.04 0.00 0.00 34.50 32.52 2g3p s PRO 211 CO 0.02 -1.73 -0.08 -0.65 0.04 0.00 0.00 177.00 174.59 2g3p s GLN 212 N -3.71 0.82 0.71 4.56 -1.52 -1.26 -4.54 119.66 114.72 2g3p s GLN 212 Ca 0.77 -1.21 -0.07 0.00 -1.95 0.00 0.00 55.36 52.91 2g3p s GLN 212 Cb -0.32 -0.38 0.06 0.00 -0.22 0.00 0.00 33.01 32.16 2g3p s GLN 212 CO 0.43 0.04 1.02 -1.25 -0.25 0.00 0.00 175.29 175.28 2g3p s PRO 213 N -3.15 2.16 0.62 2.91 0.04 -1.05 -4.50 135.00 132.03 2g3p s PRO 213 Ca 0.07 -0.27 -0.19 0.00 0.04 0.00 0.00 61.00 60.66 2g3p s PRO 213 Cb 0.00 -2.16 -0.02 0.00 0.04 0.00 0.00 34.50 32.35 2g3p s PRO 213 CO -0.02 -1.27 1.26 -1.25 0.04 0.00 0.00 177.00 175.77 2g3p s PRO 214 N -5.26 2.76 0.49 0.56 0.04 -1.26 -4.83 135.00 127.51 2g3p s PRO 214 Ca 0.60 1.98 0.28 0.00 0.04 0.00 0.00 61.00 63.91 2g3p s PRO 214 Cb -0.11 -1.91 1.12 0.00 0.04 0.00 0.00 34.50 33.65 2g3p s PRO 214 CO 0.45 -1.41 1.90 -0.39 0.04 0.00 0.00 177.00 177.59 2g3p h VAL 215 N 0.75 0.32 -0.40 -0.36 -1.51 -1.51 -2.72 116.25 110.82 2g3p h VAL 215 Ca -0.51 -0.84 0.00 0.00 -1.23 0.00 0.00 66.70 64.12 2g3p h VAL 215 Cb 1.32 1.64 0.00 0.00 -2.13 0.00 0.00 31.29 32.12 2g3p h VAL 215 CO 0.54 0.12 0.00 -3.20 -1.23 0.00 0.00 177.57 173.80 2g3p n ASN 216 N -3.28 2.83 0.12 4.19 4.05 -1.26 -4.63 115.26 117.29 2g3p n ASN 216 Ca 0.00 -2.20 -0.15 0.00 0.45 0.00 0.00 54.58 52.69 2g3p n ASN 216 Cb 0.37 -0.41 -0.08 0.00 1.23 0.00 0.00 39.78 40.90 2g3p n ASN 216 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 177.26 174.21 2g3p h ALA 217 N 3.56 -0.79 -1.28 5.20 0.00 -1.84 -3.44 119.26 120.66 2g3p h ALA 217 Ca 0.00 -0.08 -0.69 0.00 0.00 0.00 0.00 54.91 54.13 2g3p h ALA 217 Cb 0.86 0.72 0.08 0.00 0.00 0.00 0.00 17.79 19.46 2g3p h ALA 217 CO 0.11 -1.01 -0.08 0.00 0.00 0.00 0.00 179.25 178.26 2g3p n ALA 218 N -2.84 -2.32 0.12 0.00 0.00 -1.26 -4.85 120.51 109.36 2g3p n ALA 218 Ca -0.08 0.49 0.08 0.00 0.00 0.00 0.00 53.44 53.94 2g3p n ALA 218 Cb 0.39 -1.80 0.56 0.00 0.00 0.00 0.00 19.45 18.60 2g3p n ALA 218 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2g3p h ALA 219 N 2.34 1.96 0.00 0.00 0.00 -2.00 -2.40 119.26 119.16 2g3p h ALA 219 Ca -0.40 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.49 2g3p h ALA 219 Cb 1.40 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 19.13 2g3p h ALA 219 CO 0.63 0.01 -0.06 1.12 0.00 0.00 0.00 179.25 180.95 2g3p h HIS 220 N 0.21 0.00 0.00 0.00 -0.00 -1.95 -1.65 115.15 111.76 2g3p h HIS 220 Ca 0.10 0.00 0.00 0.00 -0.00 0.00 0.00 60.37 60.47 2g3p h HIS 220 Cb 0.13 0.00 0.00 0.00 -0.00 0.00 0.00 27.41 27.54 2g3p h HIS 220 CO -0.00 0.06 0.00 0.45 -0.00 0.00 0.00 177.93 178.44 2g3p h HIS 221 N 0.00 0.00 -0.40 6.12 -0.00 -1.74 -3.10 115.15 116.03 2g3p h HIS 221 Ca -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 60.37 60.37 2g3p h HIS 221 Cb 0.18 0.00 0.00 0.00 -0.00 0.00 0.00 27.41 27.59 2g3p h HIS 221 CO 0.00 0.00 0.00 0.72 -0.00 0.00 0.00 177.93 178.65 2g3p n HIS 222 N -3.00 0.77 0.00 2.45 -0.00 -0.63 -4.41 115.22 110.40 2g3p n HIS 222 Ca 0.00 -0.61 0.00 0.00 -0.00 0.00 0.00 57.72 57.11 2g3p n HIS 222 Cb 0.25 -0.13 0.00 0.00 -0.00 0.00 0.00 29.99 30.11 2g3p n HIS 222 CO 0.00 0.00 0.00 0.72 -0.00 0.00 0.00 176.34 177.06 2g3p n HIS 223 N 0.43 0.00 -0.09 4.41 8.25 -1.17 -4.45 115.22 122.59 2g3p n HIS 223 Ca 0.17 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.63 2g3p n HIS 223 Cb 0.62 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.73 2g3p n HIS 223 CO 0.00 0.00 0.00 -2.39 0.64 0.00 0.00 176.34 174.59