#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2gt3 n LEU 2 N 0.00 3.56 -4.69 2.46 4.32 -1.26 -5.02 117.00 116.36 2gt3 n LEU 2 Ca 0.00 -2.50 -0.33 0.00 -0.02 0.00 0.00 56.01 53.16 2gt3 n LEU 2 Cb 0.00 -0.41 0.14 0.00 -1.62 0.00 0.00 43.42 41.53 2gt3 n LEU 2 CO 0.00 0.71 0.75 -0.36 -1.22 0.00 0.00 177.39 177.27 2gt3 s PHE 3 N -1.91 1.74 -0.20 -1.77 0.40 -1.26 -5.02 117.98 109.96 2gt3 s PHE 3 Ca 0.35 1.71 0.00 0.00 -0.60 0.00 0.00 56.93 58.38 2gt3 s PHE 3 Cb 0.24 -3.45 0.05 0.00 0.51 0.00 0.00 43.02 40.37 2gt3 s PHE 3 CO 0.14 -2.86 -0.06 0.16 0.70 0.00 0.00 175.22 173.29 2gt3 s ASP 4 N -2.28 3.41 -0.16 1.36 1.47 -1.26 -4.98 116.67 114.23 2gt3 s ASP 4 Ca 0.72 -0.95 0.02 0.00 1.18 0.00 0.00 52.55 53.51 2gt3 s ASP 4 Cb -0.27 -1.09 0.24 0.00 -0.34 0.00 0.00 42.92 41.46 2gt3 s ASP 4 CO 0.53 -0.20 1.32 0.29 0.68 0.00 0.00 175.17 177.79 2gt3 n LYS 5 N 4.75 1.47 -0.08 2.11 5.02 -1.26 -3.99 118.16 126.17 2gt3 n LYS 5 Ca -0.12 -1.09 0.06 0.00 -2.02 0.00 0.00 58.31 55.14 2gt3 n LYS 5 Cb 0.46 -1.43 0.25 0.00 -0.02 0.00 0.00 35.03 34.28 2gt3 n LYS 5 CO 0.00 0.00 0.00 0.36 -0.52 0.00 0.00 177.40 177.24 2gt3 n LYS 6 N -0.09 1.48 -1.56 1.97 -0.00 -1.26 -4.82 118.16 113.88 2gt3 n LYS 6 Ca 0.21 -0.73 -0.32 0.00 -0.00 0.00 0.00 58.31 57.47 2gt3 n LYS 6 Cb 0.92 -1.25 -0.04 0.00 -0.00 0.00 0.00 35.03 34.66 2gt3 n LYS 6 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.40 175.82 2gt3 s HIS 7 N -1.78 1.09 0.32 5.58 2.46 -1.26 -4.91 115.29 116.79 2gt3 s HIS 7 Ca 0.22 1.65 0.09 0.00 0.47 0.00 0.00 55.06 57.48 2gt3 s HIS 7 Cb 0.11 -3.56 -0.04 0.00 -0.13 0.00 0.00 32.58 28.96 2gt3 s HIS 7 CO 0.16 -2.35 0.08 -0.51 -2.47 0.00 0.00 174.74 169.66 2gt3 s LEU 8 N 12.70 3.21 0.42 8.88 2.01 -1.26 -5.08 118.68 139.56 2gt3 s LEU 8 Ca 0.96 -0.76 -0.23 0.00 0.01 0.00 0.00 54.13 54.11 2gt3 s LEU 8 Cb -0.16 -1.68 -0.12 0.00 0.01 0.00 0.00 46.19 44.24 2gt3 s LEU 8 CO 0.22 -0.20 0.70 0.55 1.01 0.00 0.00 176.35 178.64 2gt3 n VAL 9 N -1.05 2.05 -1.96 -1.59 3.14 -1.26 -4.91 118.33 112.75 2gt3 n VAL 9 Ca -0.04 -0.50 -0.33 0.00 -2.96 0.00 0.00 64.34 60.51 2gt3 n VAL 9 Cb 0.61 -0.73 0.02 0.00 -1.06 0.00 0.00 33.84 32.68 2gt3 n VAL 9 CO 0.00 0.00 0.00 -0.44 -6.46 0.00 0.00 176.83 169.93 2gt3 s SER 10 N -0.90 5.48 0.20 6.55 0.01 -1.26 -4.79 113.70 118.99 2gt3 s SER 10 Ca 0.64 1.96 0.05 0.00 1.31 0.00 0.00 55.95 59.90 2gt3 s SER 10 Cb -0.59 -2.55 0.09 0.00 0.21 0.00 0.00 66.02 63.19 2gt3 s SER 10 CO 0.57 -1.37 1.45 1.55 0.41 0.00 0.00 173.24 175.85 2gt3 h PRO 11 N 0.41 0.14 0.00 12.44 0.13 -1.92 0.52 132.00 143.72 2gt3 h PRO 11 Ca -0.47 -0.14 -0.09 0.00 -0.87 0.00 0.00 66.00 64.43 2gt3 h PRO 11 Cb 1.24 0.04 -0.01 0.00 0.13 0.00 0.00 31.00 32.39 2gt3 h PRO 11 CO 0.56 0.85 -0.44 0.00 -0.23 0.00 0.00 178.00 178.74 2gt3 h ALA 12 N 1.10 0.86 0.07 -0.56 0.00 -1.99 -3.16 119.26 115.57 2gt3 h ALA 12 Ca -0.03 -0.40 -0.33 0.00 0.00 0.00 0.00 54.91 54.15 2gt3 h ALA 12 Cb 1.37 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 19.06 2gt3 h ALA 12 CO 0.11 0.55 -1.87 -0.25 0.00 0.00 0.00 179.25 177.79 2gt3 n ASP 13 N -3.41 1.54 -4.40 0.00 8.00 -1.14 -4.93 116.55 112.21 2gt3 n ASP 13 Ca 0.01 0.30 -0.34 0.00 0.71 0.00 0.00 54.79 55.47 2gt3 n ASP 13 Cb 0.60 -0.49 0.11 0.00 -0.02 0.00 0.00 41.12 41.32 2gt3 n ASP 13 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2gt3 n ALA 14 N -2.79 -2.55 -1.73 2.24 0.00 0.18 -4.93 120.51 110.93 2gt3 n ALA 14 Ca -0.25 -0.54 -0.33 0.00 0.00 0.00 0.00 53.44 52.31 2gt3 n ALA 14 Cb 1.05 -1.77 -0.01 0.00 0.00 0.00 0.00 19.45 18.72 2gt3 n ALA 14 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 2gt3 s LEU 15 N -0.44 3.67 0.00 0.00 1.02 -0.54 -4.93 118.68 117.47 2gt3 s LEU 15 Ca 0.58 1.90 0.22 0.00 0.02 0.00 0.00 54.13 56.84 2gt3 s LEU 15 Cb -0.24 -4.55 0.96 0.00 0.02 0.00 0.00 46.19 42.39 2gt3 s LEU 15 CO 0.67 -1.01 1.70 -0.81 0.02 0.00 0.00 176.35 176.92 2gt3 n PRO 16 N -1.51 0.05 -0.77 1.29 -0.04 -1.26 -4.30 135.00 128.47 2gt3 n PRO 16 Ca 0.09 0.12 0.10 0.00 -0.04 0.00 0.00 63.50 63.77 2gt3 n PRO 16 Cb 0.52 -1.50 -0.03 0.00 -0.04 0.00 0.00 33.50 32.46 2gt3 n PRO 16 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2gt3 n GLY 17 N 0.73 -1.68 3.47 0.55 0.00 -1.26 -4.19 105.19 102.81 2gt3 n GLY 17 Ca 0.06 -1.17 -0.23 0.00 0.00 0.00 0.00 46.02 44.68 2gt3 n GLY 17 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 2gt3 s ARG 18 N -1.29 1.73 -0.69 1.61 1.70 -1.25 -4.95 118.95 115.80 2gt3 s ARG 18 Ca 0.00 -1.99 -0.17 0.00 -0.47 0.00 0.00 55.73 53.10 2gt3 s ARG 18 Cb 0.00 -0.75 0.14 0.00 -0.57 0.00 0.00 34.95 33.77 2gt3 s ARG 18 CO 0.00 -0.29 0.75 0.54 -1.08 0.00 0.00 175.30 175.22 2gt3 s ASN 19 N -3.52 6.40 -0.29 -2.89 4.22 -1.26 -4.41 114.94 113.20 2gt3 s ASN 19 Ca 0.32 -1.92 -0.02 0.00 -2.14 0.00 0.00 52.86 49.10 2gt3 s ASN 19 Cb 0.07 -2.28 0.12 0.00 1.28 0.00 0.00 41.25 40.44 2gt3 s ASN 19 CO 0.15 -0.92 0.22 0.42 -2.04 0.00 0.00 177.10 174.93 2gt3 s THR 20 N 1.83 -0.26 0.34 0.54 -4.23 -1.26 -5.14 115.64 107.45 2gt3 s THR 20 Ca 0.15 -0.58 -0.27 0.00 -1.18 0.00 0.00 61.69 59.81 2gt3 s THR 20 Cb -0.19 -0.97 -0.09 0.00 1.34 0.00 0.00 72.50 72.59 2gt3 s THR 20 CO -0.01 -0.56 1.07 -2.16 -0.54 0.00 0.00 174.62 172.42 2gt3 s PRO 21 N 2.25 4.42 -0.13 3.99 0.04 -1.26 -4.86 135.00 139.44 2gt3 s PRO 21 Ca 0.09 1.65 -0.10 0.00 0.04 0.00 0.00 61.00 62.68 2gt3 s PRO 21 Cb -0.15 -2.88 -0.05 0.00 0.04 0.00 0.00 34.50 31.46 2gt3 s PRO 21 CO -0.34 0.05 0.21 -1.64 0.04 0.00 0.00 177.00 175.32 2gt3 s MET 22 N -1.94 3.88 0.41 4.56 -1.94 -1.26 -5.08 119.30 117.94 2gt3 s MET 22 Ca 0.51 -0.03 -0.23 0.00 -1.71 0.00 0.00 55.69 54.22 2gt3 s MET 22 Cb -0.27 -3.31 -0.09 0.00 2.01 0.00 0.00 34.83 33.17 2gt3 s MET 22 CO 0.34 0.52 1.05 -1.25 -0.01 0.00 0.00 175.02 175.67 2gt3 s PRO 23 N -0.33 4.10 0.07 2.03 0.04 -1.26 -4.92 135.00 134.73 2gt3 s PRO 23 Ca 0.15 1.50 0.07 0.00 0.04 0.00 0.00 61.00 62.76 2gt3 s PRO 23 Cb -0.13 -2.47 -0.03 0.00 0.04 0.00 0.00 34.50 31.91 2gt3 s PRO 23 CO 0.04 -0.20 -0.19 0.08 0.04 0.00 0.00 177.00 176.77 2gt3 s VAL 24 N -1.70 1.58 0.58 -0.36 1.01 -1.26 -4.20 120.40 116.04 2gt3 s VAL 24 Ca 0.59 -1.35 -0.16 0.00 0.00 0.00 0.00 61.98 61.06 2gt3 s VAL 24 Cb -0.21 -1.42 -0.04 0.00 0.00 0.00 0.00 36.38 34.70 2gt3 s VAL 24 CO 0.27 0.01 1.05 0.00 0.00 0.00 0.00 175.10 176.43 2gt3 s ALA 25 N -1.02 2.78 0.10 5.51 0.00 -1.26 -4.97 121.76 122.90 2gt3 s ALA 25 Ca 0.05 0.40 -0.16 0.00 0.00 0.00 0.00 51.96 52.25 2gt3 s ALA 25 Cb -0.09 -3.23 -0.06 0.00 0.00 0.00 0.00 23.12 19.74 2gt3 s ALA 25 CO 0.03 -0.72 1.51 1.15 0.00 0.00 0.00 175.76 177.73 2gt3 h THR 26 N 0.58 1.28 -2.25 0.00 2.02 -2.00 -3.44 112.91 109.09 2gt3 h THR 26 Ca -0.47 -1.12 -0.55 0.00 0.77 0.00 0.00 66.41 65.03 2gt3 h THR 26 Cb 1.22 1.34 -0.13 0.00 -1.74 0.00 0.00 68.15 68.83 2gt3 h THR 26 CO 0.58 0.37 -0.61 -0.76 0.37 0.00 0.00 175.52 175.46 2gt3 s LEU 27 N -9.30 2.55 1.09 2.58 1.43 -1.26 -3.50 118.68 112.27 2gt3 s LEU 27 Ca -0.13 -1.35 -0.12 0.00 -1.03 0.00 0.00 54.13 51.49 2gt3 s LEU 27 Cb 0.09 -0.67 0.24 0.00 0.03 0.00 0.00 46.19 45.88 2gt3 s LEU 27 CO 0.79 -0.50 1.06 -2.28 0.23 0.00 0.00 176.35 175.65 2gt3 s HIS 28 N -2.98 1.64 -0.02 0.29 5.65 0.24 -4.77 115.29 115.34 2gt3 s HIS 28 Ca 0.35 1.17 -0.08 0.00 0.25 0.00 0.00 55.06 56.74 2gt3 s HIS 28 Cb 0.09 -3.16 -0.05 0.00 -1.18 0.00 0.00 32.58 28.28 2gt3 s HIS 28 CO 0.16 -3.45 0.51 0.00 -0.65 0.00 0.00 174.74 171.32 2gt3 h ALA 29 N -2.31 -0.47 0.02 1.58 0.00 -1.93 -2.73 119.26 113.42 2gt3 h ALA 29 Ca -0.58 -0.07 -0.26 0.00 0.00 0.00 0.00 54.91 54.01 2gt3 h ALA 29 Cb 1.33 0.12 -0.03 0.00 0.00 0.00 0.00 17.79 19.20 2gt3 h ALA 29 CO 0.52 -0.44 -1.40 0.28 0.00 0.00 0.00 179.25 178.20 2gt3 n VAL 30 N -3.80 1.57 0.01 0.00 0.31 -1.26 -4.07 118.33 111.08 2gt3 n VAL 30 Ca -0.04 -0.13 0.09 0.00 -0.01 0.00 0.00 64.34 64.26 2gt3 n VAL 30 Cb 0.12 -1.99 0.51 0.00 -0.91 0.00 0.00 33.84 31.57 2gt3 n VAL 30 CO 0.00 0.00 0.00 -1.13 -1.32 0.00 0.00 176.83 174.38 2gt3 h ASN 31 N -0.85 0.31 -1.03 4.52 -1.24 -1.92 -3.44 115.58 111.94 2gt3 h ASN 31 Ca -0.37 -0.00 -0.24 0.00 0.71 0.00 0.00 56.30 56.40 2gt3 h ASN 31 Cb 1.42 -0.07 -0.10 0.00 0.73 0.00 0.00 38.32 40.31 2gt3 h ASN 31 CO -0.18 0.21 -0.22 0.61 -1.29 0.00 0.00 177.43 176.56 2gt3 n GLY 32 N -1.52 1.12 3.99 1.57 0.00 -1.03 -4.80 105.19 104.53 2gt3 n GLY 32 Ca 0.05 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.90 2gt3 n GLY 32 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 2gt3 s HIS 33 N -1.94 2.89 -0.22 1.61 5.65 -1.26 -4.27 115.29 117.74 2gt3 s HIS 33 Ca 0.00 -0.36 -0.38 0.00 0.25 0.00 0.00 55.06 54.57 2gt3 s HIS 33 Cb 0.00 -2.25 -0.14 0.00 -1.18 0.00 0.00 32.58 29.01 2gt3 s HIS 33 CO 0.00 -0.28 1.80 -1.13 -0.65 0.00 0.00 174.74 174.48 2gt3 n SER 34 N -1.76 2.74 -0.06 9.88 3.41 -1.26 0.79 113.62 127.35 2gt3 n SER 34 Ca 0.05 1.04 -0.09 0.00 -0.26 0.00 0.00 58.87 59.61 2gt3 n SER 34 Cb 0.59 -1.21 -0.08 0.00 -0.26 0.00 0.00 64.21 63.24 2gt3 n SER 34 CO 0.00 0.00 0.00 -0.03 -0.16 0.00 0.00 175.04 174.85 2gt3 h MET 35 N 7.93 0.00 0.15 4.33 4.05 -1.85 -3.40 114.93 126.14 2gt3 h MET 35 Ca -0.47 0.00 -0.01 0.00 -0.28 0.00 0.00 59.70 58.94 2gt3 h MET 35 Cb 1.30 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 32.10 2gt3 h MET 35 CO 0.96 0.61 -0.07 1.79 0.23 0.00 0.00 176.91 180.43 2gt3 h THR 36 N -1.00 0.79 -2.83 -0.77 1.35 -1.87 -3.45 112.91 105.13 2gt3 h THR 36 Ca -0.00 -1.17 -0.58 0.00 -0.55 0.00 0.00 66.41 64.11 2gt3 h THR 36 Cb 0.61 1.36 0.09 0.00 -1.73 0.00 0.00 68.15 68.48 2gt3 h THR 36 CO -0.00 0.21 0.53 -3.20 -0.25 0.00 0.00 175.52 172.82 2gt3 n ASN 37 N -4.90 2.60 -4.19 5.36 2.85 -1.26 -4.99 115.26 110.73 2gt3 n ASN 37 Ca -0.07 1.16 -0.28 0.00 -0.11 0.00 0.00 54.58 55.28 2gt3 n ASN 37 Cb 0.26 -1.43 -0.16 0.00 1.24 0.00 0.00 39.78 39.69 2gt3 n ASN 37 CO 0.00 0.00 0.00 -0.69 -2.11 0.00 0.00 177.26 174.46 2gt3 s VAL 38 N -0.45 1.69 0.28 3.44 1.01 -1.26 -4.77 120.40 120.33 2gt3 s VAL 38 Ca 0.64 -0.86 -0.29 0.00 0.00 0.00 0.00 61.98 61.47 2gt3 s VAL 38 Cb -0.63 -1.44 -0.09 0.00 0.00 0.00 0.00 36.38 34.21 2gt3 s VAL 38 CO 0.54 0.48 1.08 -2.16 0.00 0.00 0.00 175.10 175.04 2gt3 s PRO 39 N -0.00 4.66 0.16 2.72 0.04 -1.26 -4.96 135.00 136.36 2gt3 s PRO 39 Ca -0.05 1.76 -0.32 0.00 0.04 0.00 0.00 61.00 62.43 2gt3 s PRO 39 Cb -0.13 -3.18 -0.11 0.00 0.04 0.00 0.00 34.50 31.12 2gt3 s PRO 39 CO 0.03 0.24 1.79 -0.25 0.04 0.00 0.00 177.00 178.86 2gt3 n ASP 40 N 1.19 4.04 0.00 6.66 8.00 -1.26 -1.47 116.55 133.71 2gt3 n ASP 40 Ca -0.01 1.02 0.00 0.00 0.71 0.00 0.00 54.79 56.51 2gt3 n ASP 40 Cb 0.45 -1.56 0.00 0.00 -0.02 0.00 0.00 41.12 39.99 2gt3 n ASP 40 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2gt3 n GLY 41 N 4.12 2.65 3.93 0.44 0.00 -1.26 -5.08 105.19 109.99 2gt3 n GLY 41 Ca 0.17 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.94 2gt3 n GLY 41 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 2gt3 s MET 42 N -0.41 2.99 0.14 1.61 0.00 -0.54 -4.17 119.30 118.92 2gt3 s MET 42 Ca 0.00 -0.16 -0.01 0.00 0.00 0.00 0.00 55.69 55.52 2gt3 s MET 42 Cb 0.00 -2.37 -0.04 0.00 0.00 0.00 0.00 34.83 32.42 2gt3 s MET 42 CO 0.00 -0.54 0.05 -1.21 0.00 0.00 0.00 175.02 173.31 2gt3 s GLU 43 N -4.84 0.95 0.16 4.11 2.02 0.17 -4.93 118.70 116.35 2gt3 s GLU 43 Ca 0.52 -1.45 0.09 0.00 0.02 0.00 0.00 54.97 54.14 2gt3 s GLU 43 Cb -0.10 0.15 -0.04 0.00 0.10 0.00 0.00 34.13 34.24 2gt3 s GLU 43 CO 0.43 -0.24 -0.10 0.42 0.02 0.00 0.00 175.26 175.79 2gt3 s ILE 44 N -3.98 3.19 -0.07 -1.63 1.01 -1.26 -1.28 121.20 117.18 2gt3 s ILE 44 Ca 0.24 -1.59 -0.03 0.00 0.00 0.00 0.00 60.65 59.27 2gt3 s ILE 44 Cb 0.07 -2.56 0.04 0.00 0.01 0.00 0.00 42.46 40.03 2gt3 s ILE 44 CO 0.02 -0.06 0.15 0.00 0.00 0.00 0.00 174.94 175.04 2gt3 s ALA 45 N -1.59 -0.21 -0.21 9.38 0.00 0.37 -4.69 121.76 124.81 2gt3 s ALA 45 Ca 0.24 0.62 -0.15 0.00 0.00 0.00 0.00 51.96 52.67 2gt3 s ALA 45 Cb -0.09 -0.58 -0.04 0.00 0.00 0.00 0.00 23.12 22.40 2gt3 s ALA 45 CO 0.15 -0.31 0.35 0.42 0.00 0.00 0.00 175.76 176.37 2gt3 s ILE 46 N 1.59 5.23 0.03 0.00 1.01 -1.07 0.50 121.20 128.49 2gt3 s ILE 46 Ca -0.05 0.59 0.02 0.00 0.00 0.00 0.00 60.65 61.22 2gt3 s ILE 46 Cb -0.12 -3.68 -0.02 0.00 0.01 0.00 0.00 42.46 38.65 2gt3 s ILE 46 CO -0.06 0.27 -0.07 -0.36 0.00 0.00 0.00 174.94 174.72 2gt3 s PHE 47 N 1.29 0.58 -0.09 3.97 0.08 -0.61 -1.26 117.98 121.94 2gt3 s PHE 47 Ca 0.16 -0.39 -0.00 0.00 0.12 0.00 0.00 56.93 56.82 2gt3 s PHE 47 Cb -0.14 -0.36 0.02 0.00 -0.57 0.00 0.00 43.02 41.97 2gt3 s PHE 47 CO 0.07 -0.07 -0.06 0.00 -0.10 0.00 0.00 175.22 175.07 2gt3 s ALA 48 N -1.04 1.12 -0.25 5.36 0.00 -0.78 0.13 121.76 126.30 2gt3 s ALA 48 Ca -0.07 -0.40 0.22 0.00 0.00 0.00 0.00 51.96 51.72 2gt3 s ALA 48 Cb -0.08 -0.81 0.49 0.00 0.00 0.00 0.00 23.12 22.73 2gt3 s ALA 48 CO 0.00 -0.35 1.15 -1.33 0.00 0.00 0.00 175.76 175.23 2gt3 n MET 49 N 4.83 1.57 0.00 0.00 2.81 -1.23 -2.42 117.12 122.68 2gt3 n MET 49 Ca -0.13 -3.22 0.00 0.00 -1.81 0.00 0.00 57.70 52.54 2gt3 n MET 49 Cb 0.50 -1.33 0.00 0.00 -0.71 0.00 0.00 33.22 31.68 2gt3 n MET 49 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 2gt3 n GLY 50 N -0.59 2.64 3.33 3.03 0.00 -1.15 -4.76 105.19 107.69 2gt3 n GLY 50 Ca 0.05 -0.29 -0.56 0.00 0.00 0.00 0.00 46.02 45.22 2gt3 n GLY 50 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2gt3 n PHE 52 N 8.51 0.00 0.24 0.00 1.16 -1.26 -2.55 117.46 123.55 2gt3 n PHE 52 Ca 0.49 0.00 -0.10 0.00 -1.87 0.00 0.00 57.45 55.97 2gt3 n PHE 52 Cb 0.07 -0.10 -0.05 0.00 -1.61 0.00 0.00 39.48 37.79 2gt3 n PHE 52 CO 0.00 0.00 0.00 -1.49 -1.87 0.00 0.00 176.76 173.40 2gt3 h TRP 53 N 0.85 -0.61 0.01 2.97 6.55 -1.91 -1.81 115.95 122.01 2gt3 h TRP 53 Ca 0.00 -0.01 -0.14 0.00 0.95 0.00 0.00 58.89 59.68 2gt3 h TRP 53 Cb 0.32 0.20 0.01 0.00 -0.86 0.00 0.00 29.16 28.84 2gt3 h TRP 53 CO 0.00 -0.38 -0.57 0.78 -1.05 0.00 0.00 178.44 177.22 2gt3 h GLY 54 N -1.15 0.41 0.20 1.49 0.00 -1.83 -2.39 103.07 99.80 2gt3 h GLY 54 Ca -0.07 -0.74 0.15 0.00 0.00 0.00 0.00 47.33 46.67 2gt3 h GLY 54 CO 0.11 0.65 0.43 -2.08 0.00 0.00 0.00 176.54 175.66 2gt3 h VAL 55 N -0.19 0.71 -0.05 4.60 2.07 -1.64 0.63 116.25 122.38 2gt3 h VAL 55 Ca -0.08 -0.21 -0.01 0.00 0.82 0.00 0.00 66.70 67.23 2gt3 h VAL 55 Cb 1.30 0.05 -0.00 0.00 -1.52 0.00 0.00 31.29 31.12 2gt3 h VAL 55 CO 0.11 0.11 -0.02 -0.08 0.02 0.00 0.00 177.57 177.72 2gt3 h GLU 56 N 0.61 0.09 -0.05 1.57 4.81 -1.36 -1.97 114.58 118.28 2gt3 h GLU 56 Ca 0.47 -0.04 0.03 0.00 -0.13 0.00 0.00 59.36 59.69 2gt3 h GLU 56 Cb 0.68 -0.00 -0.04 0.00 0.63 0.00 0.00 28.75 30.02 2gt3 h GLU 56 CO -0.37 0.45 -0.15 -0.09 -0.73 0.00 0.00 179.01 178.12 2gt3 h ARG 57 N -0.28 -0.21 -0.76 1.92 2.43 -0.65 1.09 114.38 117.92 2gt3 h ARG 57 Ca 0.01 0.01 0.13 0.00 -0.81 0.00 0.00 59.98 59.33 2gt3 h ARG 57 Cb 0.42 0.05 -0.05 0.00 -0.42 0.00 0.00 29.97 29.97 2gt3 h ARG 57 CO 0.01 -0.14 0.50 1.25 -1.51 0.00 0.00 179.97 180.08 2gt3 h LEU 58 N -0.22 0.46 0.04 3.80 6.46 0.19 1.36 115.31 127.39 2gt3 h LEU 58 Ca 0.06 0.02 -0.24 0.00 -0.12 0.00 0.00 57.88 57.61 2gt3 h LEU 58 Cb 0.31 -0.07 0.02 0.00 -0.73 0.00 0.00 40.66 40.19 2gt3 h LEU 58 CO -0.18 0.25 -0.94 -0.26 -0.62 0.00 0.00 178.44 176.69 2gt3 h PHE 59 N 0.50 0.88 -0.16 1.25 0.04 -0.27 -1.42 116.94 117.76 2gt3 h PHE 59 Ca 0.37 -0.50 -0.03 0.00 2.80 0.00 0.00 57.97 60.61 2gt3 h PHE 59 Cb 0.74 -0.09 -0.01 0.00 2.20 0.00 0.00 35.95 38.79 2gt3 h PHE 59 CO -0.00 1.34 -0.02 2.35 -0.60 0.00 0.00 178.31 181.38 2gt3 h TRP 60 N 0.17 0.32 0.00 -0.55 2.91 0.27 -1.86 115.95 117.22 2gt3 h TRP 60 Ca -0.13 -0.06 0.00 0.00 1.13 0.00 0.00 58.89 59.83 2gt3 h TRP 60 Cb 1.63 -0.08 0.00 0.00 -0.51 0.00 0.00 29.16 30.20 2gt3 h TRP 60 CO 0.13 0.53 0.00 1.04 -1.03 0.00 0.00 178.44 179.11 2gt3 n GLN 61 N -4.72 0.44 -2.23 2.65 1.13 0.45 -4.76 117.38 110.34 2gt3 n GLN 61 Ca -0.05 0.06 -0.41 0.00 -1.94 0.00 0.00 57.00 54.66 2gt3 n GLN 61 Cb 0.24 -1.50 -0.03 0.00 0.11 0.00 0.00 30.24 29.06 2gt3 n GLN 61 CO 0.00 0.00 0.00 -1.17 -1.44 0.00 0.00 177.06 174.45 2gt3 s LEU 62 N -2.35 4.45 -0.36 1.08 0.20 -0.54 -4.95 118.68 116.23 2gt3 s LEU 62 Ca 0.24 2.50 -0.29 0.00 0.69 0.00 0.00 54.13 57.27 2gt3 s LEU 62 Cb 0.14 -3.63 0.00 0.00 -0.43 0.00 0.00 46.19 42.27 2gt3 s LEU 62 CO 0.28 -0.44 1.38 -2.16 -0.29 0.00 0.00 176.35 175.12 2gt3 s PRO 63 N -1.16 3.72 0.00 0.98 0.04 -1.26 -2.42 135.00 134.90 2gt3 s PRO 63 Ca 0.50 1.09 0.00 0.00 0.04 0.00 0.00 61.00 62.64 2gt3 s PRO 63 Cb -0.37 -3.97 0.00 0.00 0.04 0.00 0.00 34.50 30.20 2gt3 s PRO 63 CO 0.45 -1.38 0.00 0.41 0.04 0.00 0.00 177.00 176.52 2gt3 n GLY 64 N 4.76 1.15 3.59 0.56 0.00 -1.26 -4.72 105.19 109.26 2gt3 n GLY 64 Ca 0.16 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.78 2gt3 n GLY 64 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2gt3 s VAL 65 N -2.00 5.12 0.06 1.61 1.01 -1.01 -2.58 120.40 122.61 2gt3 s VAL 65 Ca 0.00 0.50 -0.17 0.00 0.00 0.00 0.00 61.98 62.30 2gt3 s VAL 65 Cb 0.00 -3.79 -0.14 0.00 0.00 0.00 0.00 36.38 32.44 2gt3 s VAL 65 CO 0.00 0.03 1.31 0.22 0.00 0.00 0.00 175.10 176.66 2gt3 h TYR 66 N 8.25 0.68 -2.41 5.22 3.20 0.19 -3.46 116.97 128.64 2gt3 h TYR 66 Ca -0.30 -0.25 0.11 0.00 3.14 0.00 0.00 58.73 61.42 2gt3 h TYR 66 Cb 1.15 -0.12 -0.13 0.00 1.54 0.00 0.00 36.73 39.16 2gt3 h TYR 66 CO 0.74 0.99 0.45 -1.12 -1.64 0.00 0.00 178.16 177.57 2gt3 s SER 67 N -6.51 -0.35 0.30 -2.11 0.01 -1.01 -4.92 113.70 99.10 2gt3 s SER 67 Ca -0.13 -0.10 0.03 0.00 1.31 0.00 0.00 55.95 57.06 2gt3 s SER 67 Cb 0.06 0.44 -0.06 0.00 0.21 0.00 0.00 66.02 66.68 2gt3 s SER 67 CO 0.81 -0.74 0.06 0.42 0.41 0.00 0.00 173.24 174.19 2gt3 s THR 68 N -3.26 1.04 0.10 1.44 -4.23 -1.26 0.10 115.64 109.57 2gt3 s THR 68 Ca 0.06 -2.01 -0.12 0.00 -1.18 0.00 0.00 61.69 58.44 2gt3 s THR 68 Cb -0.01 -2.70 0.01 0.00 1.34 0.00 0.00 72.50 71.14 2gt3 s THR 68 CO -0.07 -0.04 0.28 0.00 -0.54 0.00 0.00 174.62 174.25 2gt3 s ALA 69 N -3.41 -0.55 -0.02 3.99 0.00 0.31 -4.93 121.76 117.15 2gt3 s ALA 69 Ca 0.36 -0.34 0.05 0.00 0.00 0.00 0.00 51.96 52.03 2gt3 s ALA 69 Cb 0.08 0.56 -0.03 0.00 0.00 0.00 0.00 23.12 23.73 2gt3 s ALA 69 CO 0.14 -0.56 -0.18 0.00 0.00 0.00 0.00 175.76 175.17 2gt3 s ALA 70 N -3.74 2.55 0.10 0.00 0.00 -1.26 0.46 121.76 119.86 2gt3 s ALA 70 Ca 0.03 -1.07 -0.25 0.00 0.00 0.00 0.00 51.96 50.67 2gt3 s ALA 70 Cb 0.03 -0.82 0.09 0.00 0.00 0.00 0.00 23.12 22.42 2gt3 s ALA 70 CO -0.11 0.56 1.14 0.20 0.00 0.00 0.00 175.76 177.55 2gt3 s GLY 71 N -0.92 -0.03 0.09 0.00 0.00 -0.48 0.46 107.32 106.44 2gt3 s GLY 71 Ca 0.12 -0.10 0.09 0.00 0.00 0.00 0.00 44.72 44.83 2gt3 s GLY 71 CO 0.02 3.24 -0.24 -2.52 0.00 0.00 0.00 173.10 173.60 2gt3 s TYR 72 N -2.19 2.05 0.09 1.90 -0.85 -0.72 -0.75 117.35 116.88 2gt3 s TYR 72 Ca 0.23 -0.40 -0.26 0.00 -0.52 0.00 0.00 57.07 56.12 2gt3 s TYR 72 Cb -0.01 -1.15 0.09 0.00 0.38 0.00 0.00 41.96 41.26 2gt3 s TYR 72 CO 0.02 0.21 1.10 -0.08 -1.52 0.00 0.00 175.55 175.28 2gt3 s THR 73 N -1.00 0.00 0.00 -3.49 -1.32 -0.60 -2.63 115.64 106.61 2gt3 s THR 73 Ca 0.10 -0.48 0.00 0.00 -1.21 0.00 0.00 61.69 60.10 2gt3 s THR 73 Cb -0.10 -2.19 0.00 0.00 -1.51 0.00 0.00 72.50 68.71 2gt3 s THR 73 CO 0.04 0.00 0.00 0.61 -2.21 0.00 0.00 174.62 173.06 2gt3 n GLY 74 N -0.54 0.34 1.11 6.08 0.00 -1.26 0.14 105.19 111.07 2gt3 n GLY 74 Ca -0.06 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.88 2gt3 n GLY 74 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2gt3 n GLY 75 N -1.74 3.10 0.06 -0.02 0.00 -0.51 -4.33 105.19 101.75 2gt3 n GLY 75 Ca 0.00 -2.21 -0.06 0.00 0.00 0.00 0.00 46.02 43.74 2gt3 n GLY 75 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 2gt3 n TYR 76 N -0.82 0.00 -1.62 1.61 9.36 -0.82 -4.76 117.16 120.11 2gt3 n TYR 76 Ca -0.01 0.00 -0.54 0.00 3.32 0.00 0.00 57.90 60.67 2gt3 n TYR 76 Cb 0.18 -0.55 -0.07 0.00 -0.63 0.00 0.00 39.34 38.28 2gt3 n TYR 76 CO 0.00 0.00 0.00 2.41 0.22 0.00 0.00 176.86 179.49 2gt3 n THR 77 N -2.51 0.33 -2.50 2.97 -1.04 -1.19 -4.89 114.28 105.45 2gt3 n THR 77 Ca -0.20 -0.12 -0.40 0.00 -2.04 0.00 0.00 64.05 61.29 2gt3 n THR 77 Cb 0.84 -1.49 -0.04 0.00 -1.82 0.00 0.00 70.33 67.82 2gt3 n THR 77 CO 0.00 0.00 0.00 -2.16 -0.64 0.00 0.00 175.07 172.27 2gt3 s PRO 78 N 4.51 4.64 -1.15 -2.82 0.04 -1.26 -3.77 135.00 135.19 2gt3 s PRO 78 Ca 1.01 1.76 -0.29 0.00 0.04 0.00 0.00 61.00 63.51 2gt3 s PRO 78 Cb -0.93 -3.22 0.04 0.00 0.04 0.00 0.00 34.50 30.43 2gt3 s PRO 78 CO 0.58 0.18 0.66 0.09 0.04 0.00 0.00 177.00 178.56 2gt3 n ASN 79 N 1.60 -4.21 -4.72 6.66 3.02 -1.26 -3.82 115.26 112.53 2gt3 n ASN 79 Ca 0.00 -1.26 -0.29 0.00 -0.03 0.00 0.00 54.58 53.00 2gt3 n ASN 79 Cb 0.45 -1.58 0.14 0.00 -0.61 0.00 0.00 39.78 38.19 2gt3 n ASN 79 CO 0.00 0.00 0.00 -2.16 -2.62 0.00 0.00 177.26 172.48 2gt3 s PRO 80 N -7.06 1.02 0.30 3.52 0.04 -1.25 -4.10 135.00 127.47 2gt3 s PRO 80 Ca 0.41 0.24 0.07 0.00 0.04 0.00 0.00 61.00 61.76 2gt3 s PRO 80 Cb -0.23 -1.83 -0.06 0.00 0.04 0.00 0.00 34.50 32.42 2gt3 s PRO 80 CO 0.96 -2.27 -0.06 0.95 0.04 0.00 0.00 177.00 176.63 2gt3 s THR 81 N -3.30 1.74 0.44 1.26 -4.23 -1.26 -5.00 115.64 105.29 2gt3 s THR 81 Ca 0.65 -2.13 0.17 0.00 -1.18 0.00 0.00 61.69 59.20 2gt3 s THR 81 Cb -0.14 -2.53 0.37 0.00 1.34 0.00 0.00 72.50 71.54 2gt3 s THR 81 CO 0.53 -0.25 1.92 0.22 -0.54 0.00 0.00 174.62 176.51 2gt3 h TYR 82 N 2.20 0.42 0.03 3.99 3.20 -1.99 -0.96 116.97 123.86 2gt3 h TYR 82 Ca -0.41 0.01 -0.00 0.00 3.14 0.00 0.00 58.73 61.48 2gt3 h TYR 82 Cb 1.24 -0.13 0.00 0.00 1.54 0.00 0.00 36.73 39.38 2gt3 h TYR 82 CO 0.69 0.15 -0.01 0.00 -1.64 0.00 0.00 178.16 177.35 2gt3 h ARG 83 N 0.35 -0.04 -0.20 1.82 2.47 -1.98 0.70 114.38 117.52 2gt3 h ARG 83 Ca 0.36 0.00 0.05 0.00 -1.26 0.00 0.00 59.98 59.13 2gt3 h ARG 83 Cb 0.91 0.01 -0.05 0.00 -1.65 0.00 0.00 29.97 29.19 2gt3 h ARG 83 CO -0.10 0.26 -0.10 0.93 0.56 0.00 0.00 179.97 181.52 2gt3 h GLU 84 N -0.34 -0.08 -0.74 0.04 5.08 -1.62 -1.08 114.58 115.85 2gt3 h GLU 84 Ca -0.00 0.01 0.01 0.00 -1.00 0.00 0.00 59.36 58.37 2gt3 h GLU 84 Cb 0.32 0.02 -0.04 0.00 0.50 0.00 0.00 28.75 29.55 2gt3 h GLU 84 CO 0.01 -0.05 0.48 0.28 -1.00 0.00 0.00 179.01 178.73 2gt3 h VAL 85 N -0.08 1.18 -0.94 3.13 2.07 -1.24 -0.15 116.25 120.20 2gt3 h VAL 85 Ca 0.11 -0.34 0.19 0.00 0.82 0.00 0.00 66.70 67.48 2gt3 h VAL 85 Cb 0.25 0.11 -0.08 0.00 -1.52 0.00 0.00 31.29 30.04 2gt3 h VAL 85 CO -0.25 0.18 0.61 0.00 0.02 0.00 0.00 177.57 178.13 2gt3 h SER 87 N 0.56 0.04 0.00 0.00 0.87 0.12 -3.48 113.55 111.66 2gt3 h SER 87 Ca 0.51 -0.50 0.00 0.00 -1.23 0.00 0.00 61.79 60.57 2gt3 h SER 87 Cb 1.04 -0.01 0.00 0.00 -0.44 0.00 0.00 62.40 62.99 2gt3 h SER 87 CO -0.25 0.53 0.00 0.61 -0.53 0.00 0.00 176.83 177.19 2gt3 n GLY 88 N 0.26 0.85 1.70 5.77 0.00 0.03 -4.94 105.19 108.86 2gt3 n GLY 88 Ca -0.08 0.00 0.04 0.00 0.00 0.00 0.00 46.02 45.98 2gt3 n GLY 88 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2gt3 n ASP 89 N 0.00 4.87 -0.08 1.61 4.64 -1.25 -3.98 116.55 122.36 2gt3 n ASP 89 Ca 0.00 -2.82 -0.09 0.00 -1.38 0.00 0.00 54.79 50.49 2gt3 n ASP 89 Cb 0.00 -0.67 -0.09 0.00 -1.04 0.00 0.00 41.12 39.32 2gt3 n ASP 89 CO 0.00 0.00 0.00 1.07 -0.82 0.00 0.00 177.20 177.45 2gt3 n THR 90 N 0.42 0.94 -0.15 5.18 5.66 -1.26 -1.47 114.28 123.60 2gt3 n THR 90 Ca 0.25 -0.46 0.00 0.00 -3.05 0.00 0.00 64.05 60.79 2gt3 n THR 90 Cb 1.08 -0.89 0.00 0.00 -1.55 0.00 0.00 70.33 68.97 2gt3 n THR 90 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 2gt3 n GLY 91 N 2.45 1.06 3.81 1.09 0.00 -1.26 -1.95 105.19 110.39 2gt3 n GLY 91 Ca -0.26 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.39 2gt3 n GLY 91 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2gt3 s HIS 92 N -2.57 3.67 0.38 1.61 3.76 -1.26 -1.42 115.29 119.46 2gt3 s HIS 92 Ca 0.00 1.41 0.08 0.00 -0.15 0.00 0.00 55.06 56.40 2gt3 s HIS 92 Cb 0.00 -2.63 -0.07 0.00 1.11 0.00 0.00 32.58 30.99 2gt3 s HIS 92 CO 0.00 0.36 -0.03 0.00 -0.85 0.00 0.00 174.74 174.21 2gt3 s ALA 93 N -1.48 3.05 -0.26 -1.40 0.00 0.37 -4.71 121.76 117.32 2gt3 s ALA 93 Ca 0.42 -2.21 -0.29 0.00 0.00 0.00 0.00 51.96 49.88 2gt3 s ALA 93 Cb -0.17 0.10 -0.01 0.00 0.00 0.00 0.00 23.12 23.04 2gt3 s ALA 93 CO 0.21 -0.04 1.36 -1.21 0.00 0.00 0.00 175.76 176.08 2gt3 s GLU 94 N -3.67 3.94 0.28 0.00 0.41 -0.78 -1.55 118.70 117.32 2gt3 s GLU 94 Ca 0.34 1.40 0.07 0.00 -0.41 0.00 0.00 54.97 56.36 2gt3 s GLU 94 Cb 0.07 -3.90 -0.06 0.00 -1.78 0.00 0.00 34.13 28.46 2gt3 s GLU 94 CO 0.17 -1.10 -0.06 0.00 -0.49 0.00 0.00 175.26 173.78 2gt3 s ALA 95 N 4.42 2.39 -0.07 5.21 0.00 0.07 -3.58 121.76 130.21 2gt3 s ALA 95 Ca 0.59 -1.92 -0.05 0.00 0.00 0.00 0.00 51.96 50.59 2gt3 s ALA 95 Cb -0.19 0.17 0.03 0.00 0.00 0.00 0.00 23.12 23.13 2gt3 s ALA 95 CO 0.23 -0.06 0.17 0.14 0.00 0.00 0.00 175.76 176.24 2gt3 s VAL 96 N -2.98 -0.02 -0.09 0.00 -7.23 0.34 -1.39 120.40 109.03 2gt3 s VAL 96 Ca 0.30 0.08 -0.24 0.00 -1.81 0.00 0.00 61.98 60.30 2gt3 s VAL 96 Cb 0.04 -0.26 -0.03 0.00 0.56 0.00 0.00 36.38 36.69 2gt3 s VAL 96 CO 0.12 0.03 0.76 -0.60 -0.31 0.00 0.00 175.10 175.10 2gt3 s ARG 97 N 0.62 4.41 -0.13 4.82 3.52 0.17 -1.58 118.95 130.77 2gt3 s ARG 97 Ca -0.04 0.95 0.01 0.00 -0.13 0.00 0.00 55.73 56.52 2gt3 s ARG 97 Cb -0.06 -3.48 -0.00 0.00 -1.56 0.00 0.00 34.95 29.84 2gt3 s ARG 97 CO -0.03 -0.05 -0.18 0.42 -0.81 0.00 0.00 175.30 174.65 2gt3 s ILE 98 N 1.19 2.51 -0.27 4.11 1.09 0.18 0.11 121.20 130.13 2gt3 s ILE 98 Ca 0.39 -0.84 -0.03 0.00 -1.10 0.00 0.00 60.65 59.07 2gt3 s ILE 98 Cb -0.18 -2.03 0.02 0.00 -1.06 0.00 0.00 42.46 39.21 2gt3 s ILE 98 CO 0.17 0.53 -0.01 -0.69 -0.10 0.00 0.00 174.94 174.85 2gt3 s VAL 99 N 0.61 3.25 0.15 2.92 1.01 0.12 0.14 120.40 128.59 2gt3 s VAL 99 Ca -0.10 -0.93 0.00 0.00 0.00 0.00 0.00 61.98 60.96 2gt3 s VAL 99 Cb -0.16 -2.67 -0.04 0.00 0.00 0.00 0.00 36.38 33.51 2gt3 s VAL 99 CO 0.03 0.15 0.04 -0.72 0.00 0.00 0.00 175.10 174.59 2gt3 s TYR 100 N 1.38 1.04 -0.12 5.22 1.13 -0.41 0.20 117.35 125.79 2gt3 s TYR 100 Ca 0.01 -1.14 -0.05 0.00 -1.41 0.00 0.00 57.07 54.47 2gt3 s TYR 100 Cb -0.17 -0.59 -0.04 0.00 -1.10 0.00 0.00 41.96 40.06 2gt3 s TYR 100 CO -0.02 -0.38 0.09 0.34 -2.51 0.00 0.00 175.55 173.06 2gt3 s ASP 101 N -3.11 5.93 0.00 -0.18 2.15 -1.06 -0.66 116.67 119.73 2gt3 s ASP 101 Ca 0.25 0.32 0.22 0.00 0.43 0.00 0.00 52.55 53.76 2gt3 s ASP 101 Cb 0.07 -1.86 1.05 0.00 -0.30 0.00 0.00 42.92 41.87 2gt3 s ASP 101 CO 0.03 0.37 1.72 -0.81 -0.17 0.00 0.00 175.17 176.31 2gt3 n PRO 102 N 2.24 0.17 0.06 4.34 -0.04 -1.23 -0.52 135.00 140.02 2gt3 n PRO 102 Ca -0.19 0.10 0.03 0.00 -0.04 0.00 0.00 63.50 63.39 2gt3 n PRO 102 Cb 0.54 -1.50 -0.06 0.00 -0.04 0.00 0.00 33.50 32.45 2gt3 n PRO 102 CO 0.00 0.00 0.00 1.03 -0.04 0.00 0.00 175.50 176.49 2gt3 h SER 103 N 0.00 0.00 0.00 3.54 0.87 -1.93 -3.41 113.55 112.62 2gt3 h SER 103 Ca 0.00 0.00 -0.05 0.00 -1.23 0.00 0.00 61.79 60.51 2gt3 h SER 103 Cb 0.29 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 62.24 2gt3 h SER 103 CO 0.00 0.45 -1.15 0.52 -0.53 0.00 0.00 176.83 176.12 2gt3 n VAL 104 N -2.87 1.50 -4.47 2.23 0.31 -1.00 -5.04 118.33 108.99 2gt3 n VAL 104 Ca -0.07 0.09 -0.25 0.00 -0.01 0.00 0.00 64.34 64.10 2gt3 n VAL 104 Cb 0.77 -2.30 -0.10 0.00 -0.91 0.00 0.00 33.84 31.30 2gt3 n VAL 104 CO 0.00 0.00 0.00 -0.51 -1.32 0.00 0.00 176.83 175.00 2gt3 s ILE 105 N -2.86 2.43 0.29 2.52 2.07 0.33 -4.95 121.20 121.03 2gt3 s ILE 105 Ca -0.30 -2.20 0.09 0.00 -1.41 0.00 0.00 60.65 56.84 2gt3 s ILE 105 Cb 0.05 -2.60 -0.06 0.00 0.13 0.00 0.00 42.46 39.99 2gt3 s ILE 105 CO 0.43 -0.26 -0.12 -0.94 -1.91 0.00 0.00 174.94 172.14 2gt3 s SER 106 N -3.61 3.26 0.34 4.50 1.04 -1.26 -3.49 113.70 114.48 2gt3 s SER 106 Ca 0.32 -1.13 0.03 0.00 0.48 0.00 0.00 55.95 55.65 2gt3 s SER 106 Cb -0.00 -0.26 0.60 0.00 0.10 0.00 0.00 66.02 66.46 2gt3 s SER 106 CO 0.17 -0.17 1.93 0.10 0.98 0.00 0.00 173.24 176.24 2gt3 h TYR 107 N 2.23 0.69 -0.32 5.02 -0.00 -1.96 -2.16 116.97 120.48 2gt3 h TYR 107 Ca -0.40 -0.03 -0.00 0.00 0.00 0.00 0.00 58.73 58.29 2gt3 h TYR 107 Cb 1.24 -0.22 -0.02 0.00 0.00 0.00 0.00 36.73 37.74 2gt3 h TYR 107 CO 0.75 0.54 0.19 1.49 -0.00 0.00 0.00 178.16 181.13 2gt3 h GLU 108 N 0.69 0.44 -0.87 0.10 4.57 -1.96 -0.17 114.58 117.39 2gt3 h GLU 108 Ca 0.17 -0.04 0.01 0.00 -1.18 0.00 0.00 59.36 58.31 2gt3 h GLU 108 Cb 0.14 -0.09 -0.04 0.00 -0.16 0.00 0.00 28.75 28.60 2gt3 h GLU 108 CO -0.02 0.35 0.57 1.96 -1.18 0.00 0.00 179.01 180.69 2gt3 h GLN 109 N 0.41 1.16 -0.38 1.92 4.20 -1.87 -0.44 115.11 120.10 2gt3 h GLN 109 Ca 0.11 -0.08 -0.01 0.00 0.06 0.00 0.00 58.65 58.74 2gt3 h GLN 109 Cb 0.03 -0.26 -0.02 0.00 0.30 0.00 0.00 27.48 27.54 2gt3 h GLN 109 CO -0.02 0.77 0.21 -0.07 -0.67 0.00 0.00 178.83 179.05 2gt3 h LEU 110 N 1.19 0.47 -0.89 1.46 3.38 -0.95 -0.03 115.31 119.93 2gt3 h LEU 110 Ca 0.32 -0.09 0.04 0.00 0.09 0.00 0.00 57.88 58.24 2gt3 h LEU 110 Cb -0.12 -0.12 -0.05 0.00 0.09 0.00 0.00 40.66 40.45 2gt3 h LEU 110 CO -0.07 0.42 0.57 -0.07 0.09 0.00 0.00 178.44 179.39 2gt3 h LEU 111 N 0.48 0.95 -0.34 1.67 3.38 -0.42 -1.03 115.31 119.99 2gt3 h LEU 111 Ca 0.13 -0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.09 2gt3 h LEU 111 Cb 0.05 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 40.58 2gt3 h LEU 111 CO -0.02 0.64 0.17 -0.61 0.09 0.00 0.00 178.44 178.71 2gt3 h GLN 112 N 1.10 0.49 -0.95 1.13 4.15 -0.44 -2.17 115.11 118.42 2gt3 h GLN 112 Ca 0.36 -0.07 0.08 0.00 0.77 0.00 0.00 58.65 59.80 2gt3 h GLN 112 Cb 0.04 -0.09 -0.07 0.00 0.21 0.00 0.00 27.48 27.57 2gt3 h GLN 112 CO -0.13 0.43 0.61 -0.24 -1.93 0.00 0.00 178.83 177.57 2gt3 h VAL 113 N 0.42 1.02 0.12 2.39 3.04 -0.22 0.30 116.25 123.33 2gt3 h VAL 113 Ca 0.12 -0.35 0.01 0.00 -1.01 0.00 0.00 66.70 65.47 2gt3 h VAL 113 Cb 0.09 -0.10 -0.02 0.00 -2.01 0.00 0.00 31.29 29.26 2gt3 h VAL 113 CO -0.02 0.19 -0.16 0.15 -1.01 0.00 0.00 177.57 176.72 2gt3 h PHE 114 N 1.03 -0.41 0.00 3.17 3.04 -0.60 1.45 116.94 124.61 2gt3 h PHE 114 Ca 0.43 0.01 -0.02 0.00 3.98 0.00 0.00 57.97 62.36 2gt3 h PHE 114 Cb 0.30 0.17 -0.00 0.00 2.56 0.00 0.00 35.95 38.97 2gt3 h PHE 114 CO -0.00 -0.24 -0.09 -1.49 -2.02 0.00 0.00 178.31 174.47 2gt3 h TRP 115 N -0.33 0.00 -0.01 0.41 -0.00 -0.91 0.42 115.95 115.53 2gt3 h TRP 115 Ca 0.01 0.00 0.00 0.00 -0.00 0.00 0.00 58.89 58.90 2gt3 h TRP 115 Cb 0.33 0.00 0.00 0.00 -0.00 0.00 0.00 29.16 29.49 2gt3 h TRP 115 CO -0.15 0.09 -0.13 0.39 -0.00 0.00 0.00 178.44 178.64 2gt3 n GLU 116 N -3.33 1.45 -0.10 0.49 1.02 0.99 -3.94 120.64 117.23 2gt3 n GLU 116 Ca -0.01 -0.95 -0.12 0.00 -0.02 0.00 0.00 57.16 56.06 2gt3 n GLU 116 Cb 0.29 -1.48 -0.12 0.00 -0.02 0.00 0.00 31.44 30.11 2gt3 n GLU 116 CO 0.00 0.00 0.00 -1.71 1.18 0.00 0.00 177.13 176.60 2gt3 n ASN 117 N 0.06 1.59 -3.71 1.62 4.05 0.48 -4.78 115.26 114.56 2gt3 n ASN 117 Ca 0.15 -0.07 -0.02 0.00 0.45 0.00 0.00 54.58 55.10 2gt3 n ASN 117 Cb 0.40 0.22 -0.01 0.00 1.23 0.00 0.00 39.78 41.62 2gt3 n ASN 117 CO 0.00 0.00 0.00 -2.28 -3.05 0.00 0.00 177.26 171.93 2gt3 s HIS 118 N -2.43 -0.10 -0.23 1.20 5.04 -0.12 -4.01 115.29 114.63 2gt3 s HIS 118 Ca -0.20 -0.14 -0.13 0.00 -1.54 0.00 0.00 55.06 53.05 2gt3 s HIS 118 Cb 0.07 0.61 -0.04 0.00 0.04 0.00 0.00 32.58 33.25 2gt3 s HIS 118 CO 0.60 -0.64 0.28 0.16 -2.34 0.00 0.00 174.74 172.79 2gt3 s ASP 119 N -2.95 6.24 0.00 9.88 -4.77 -1.26 -4.09 116.67 119.72 2gt3 s ASP 119 Ca 0.13 0.27 0.00 0.00 -3.30 0.00 0.00 52.55 49.65 2gt3 s ASP 119 Cb 0.01 -2.17 0.00 0.00 -1.09 0.00 0.00 42.92 39.67 2gt3 s ASP 119 CO 0.00 -0.03 0.54 -0.81 0.70 0.00 0.00 175.17 175.57 2gt3 n PRO 120 N 4.56 0.75 -2.54 2.11 -0.04 -1.26 -3.47 135.00 135.10 2gt3 n PRO 120 Ca -0.12 0.00 -0.22 0.00 -0.04 0.00 0.00 63.50 63.13 2gt3 n PRO 120 Cb 0.51 -1.26 0.01 0.00 -0.04 0.00 0.00 33.50 32.72 2gt3 n PRO 120 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2gt3 n ALA 121 N 0.35 4.56 -0.97 0.55 0.00 -1.26 0.84 120.51 124.57 2gt3 n ALA 121 Ca 0.00 -3.97 0.09 0.00 0.00 0.00 0.00 53.44 49.56 2gt3 n ALA 121 Cb 0.27 -0.66 0.19 0.00 0.00 0.00 0.00 19.45 19.24 2gt3 n ALA 121 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.50 178.44 2gt3 n GLN 122 N -0.35 2.08 0.00 0.00 -0.06 -1.23 -4.80 117.38 113.03 2gt3 n GLN 122 Ca 0.30 -2.64 0.00 0.00 -2.00 0.00 0.00 57.00 52.66 2gt3 n GLN 122 Cb 0.71 -1.62 0.00 0.00 -4.06 0.00 0.00 30.24 25.26 2gt3 n GLN 122 CO 0.00 0.00 0.00 0.41 -0.20 0.00 0.00 177.06 177.27 2gt3 n GLY 123 N -0.96 1.14 2.06 1.69 0.00 -1.26 -2.28 105.19 105.58 2gt3 n GLY 123 Ca 0.18 -0.57 -0.14 0.00 0.00 0.00 0.00 46.02 45.48 2gt3 n GLY 123 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 2gt3 n MET 124 N 1.57 2.10 -3.61 1.61 2.81 -1.26 -4.63 117.12 115.72 2gt3 n MET 124 Ca 0.00 -1.18 -0.13 0.00 -1.81 0.00 0.00 57.70 54.58 2gt3 n MET 124 Cb 0.00 -2.04 -0.05 0.00 -0.71 0.00 0.00 33.22 30.42 2gt3 n MET 124 CO 0.00 0.00 0.00 1.03 1.51 0.00 0.00 175.97 178.51 2gt3 s ARG 125 N 0.75 1.02 -0.12 0.03 3.00 -0.97 -2.62 118.95 120.04 2gt3 s ARG 125 Ca 0.66 -0.37 -0.05 0.00 0.00 0.00 0.00 55.73 55.97 2gt3 s ARG 125 Cb 0.32 0.46 0.06 0.00 0.00 0.00 0.00 34.95 35.79 2gt3 s ARG 125 CO -0.02 -0.37 0.27 -1.14 0.00 0.00 0.00 175.30 174.03 2gt3 s GLN 126 N -2.75 0.20 7.89 3.54 -0.44 -0.97 -4.63 119.66 122.50 2gt3 s GLN 126 Ca -0.04 0.65 0.00 0.00 -2.50 0.00 0.00 55.36 53.47 2gt3 s GLN 126 Cb -0.00 -0.07 0.00 0.00 -1.64 0.00 0.00 33.01 31.30 2gt3 s GLN 126 CO -0.04 -0.21 0.00 0.41 0.50 0.00 0.00 175.29 175.94 2gt3 n GLY 127 N 4.72 3.60 0.95 2.59 0.00 -1.26 -1.59 105.19 114.20 2gt3 n GLY 127 Ca -0.17 -0.06 0.06 0.00 0.00 0.00 0.00 46.02 45.85 2gt3 n GLY 127 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 2gt3 n ASN 128 N 8.35 3.67 -4.52 1.61 5.15 -1.26 -4.97 115.26 123.30 2gt3 n ASN 128 Ca 0.00 -3.14 -0.31 0.00 -0.60 0.00 0.00 54.58 50.52 2gt3 n ASN 128 Cb 0.00 -0.56 -0.12 0.00 -0.53 0.00 0.00 39.78 38.57 2gt3 n ASN 128 CO 0.00 0.00 0.00 -1.81 1.40 0.00 0.00 177.26 176.85 2gt3 s ASP 129 N -2.02 4.16 -0.05 1.20 -0.00 -0.62 -5.12 116.67 114.22 2gt3 s ASP 129 Ca 0.43 -0.29 0.06 0.00 -0.00 0.00 0.00 52.55 52.75 2gt3 s ASP 129 Cb 0.35 -0.83 -0.02 0.00 -0.00 0.00 0.00 42.92 42.43 2gt3 s ASP 129 CO 0.08 0.27 -0.22 -1.38 -0.00 0.00 0.00 175.17 173.92 2gt3 s HIS 130 N -0.94 2.48 0.00 4.23 -3.43 -1.26 -2.30 115.29 114.07 2gt3 s HIS 130 Ca 0.15 -0.52 0.00 0.00 -0.80 0.00 0.00 55.06 53.89 2gt3 s HIS 130 Cb -0.11 -1.59 0.00 0.00 -1.43 0.00 0.00 32.58 29.45 2gt3 s HIS 130 CO 0.06 -0.08 0.00 0.41 -2.00 0.00 0.00 174.74 173.13 2gt3 n GLY 131 N 2.70 3.76 0.00 -1.38 0.00 -1.08 -4.95 105.19 104.25 2gt3 n GLY 131 Ca -0.17 -0.57 0.08 0.00 0.00 0.00 0.00 46.02 45.36 2gt3 n GLY 131 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 2gt3 n THR 132 N -1.11 0.49 1.22 2.61 -1.04 -1.25 -1.50 114.28 113.69 2gt3 n THR 132 Ca 0.00 0.12 0.13 0.00 -2.04 0.00 0.00 64.05 62.26 2gt3 n THR 132 Cb 0.00 -0.84 0.32 0.00 -1.82 0.00 0.00 70.33 67.99 2gt3 n THR 132 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2gt3 n GLN 133 N -1.27 0.94 -1.40 -2.82 10.64 -1.26 -4.02 117.38 118.19 2gt3 n GLN 133 Ca 0.08 -0.60 -0.32 0.00 -1.83 0.00 0.00 57.00 54.33 2gt3 n GLN 133 Cb 0.13 -1.49 0.08 0.00 -0.86 0.00 0.00 30.24 28.11 2gt3 n GLN 133 CO 0.00 0.00 0.00 0.66 -1.83 0.00 0.00 177.06 175.89 2gt3 n TYR 134 N -0.50 3.11 -2.40 2.61 4.01 -0.56 -1.87 117.16 121.55 2gt3 n TYR 134 Ca 0.12 -2.79 -0.25 0.00 -0.16 0.00 0.00 57.90 54.81 2gt3 n TYR 134 Cb 0.37 -1.25 0.13 0.00 -0.31 0.00 0.00 39.34 38.28 2gt3 n TYR 134 CO 0.00 0.00 0.00 1.03 -0.46 0.00 0.00 176.86 177.43 2gt3 s ARG 135 N -3.74 1.43 -0.03 -0.72 0.52 -1.26 -3.38 118.95 111.78 2gt3 s ARG 135 Ca 0.62 -0.90 0.05 0.00 -0.52 0.00 0.00 55.73 54.98 2gt3 s ARG 135 Cb 0.49 -2.20 -0.01 0.00 0.52 0.00 0.00 34.95 33.76 2gt3 s ARG 135 CO 0.01 -1.69 -0.17 -1.54 0.02 0.00 0.00 175.30 171.93 2gt3 s SER 136 N -4.77 2.08 -0.09 0.23 1.04 -1.26 -2.95 113.70 107.98 2gt3 s SER 136 Ca 0.68 -0.33 -0.28 0.00 0.48 0.00 0.00 55.95 56.50 2gt3 s SER 136 Cb -0.05 -0.45 0.07 0.00 0.10 0.00 0.00 66.02 65.68 2gt3 s SER 136 CO 0.47 0.17 0.65 0.00 0.98 0.00 0.00 173.24 175.51 2gt3 s ALA 137 N -0.12 -1.66 -0.10 5.32 0.00 -1.02 -2.24 121.76 121.95 2gt3 s ALA 137 Ca 0.00 1.37 -0.01 0.00 0.00 0.00 0.00 51.96 53.32 2gt3 s ALA 137 Cb -0.10 -0.25 -0.03 0.00 0.00 0.00 0.00 23.12 22.75 2gt3 s ALA 137 CO 0.01 -0.35 -0.06 0.42 0.00 0.00 0.00 175.76 175.78 2gt3 s ILE 138 N -0.85 3.74 -0.49 0.00 1.01 -0.86 -1.87 121.20 121.88 2gt3 s ILE 138 Ca -0.09 -0.45 0.03 0.00 0.00 0.00 0.00 60.65 60.15 2gt3 s ILE 138 Cb -0.02 -2.56 0.15 0.00 0.01 0.00 0.00 42.46 40.05 2gt3 s ILE 138 CO 0.07 0.57 0.33 -0.31 0.00 0.00 0.00 174.94 175.60 2gt3 s TYR 139 N -0.43 2.01 0.97 3.97 2.02 -0.39 -2.62 117.35 122.89 2gt3 s TYR 139 Ca 0.06 -2.56 -0.14 0.00 -0.37 0.00 0.00 57.07 54.06 2gt3 s TYR 139 Cb -0.12 -1.73 0.17 0.00 -0.40 0.00 0.00 41.96 39.88 2gt3 s TYR 139 CO 0.02 -0.74 1.17 -1.25 -1.57 0.00 0.00 175.55 173.18 2gt3 s PRO 140 N -0.12 0.64 -0.03 -1.71 0.04 -1.26 -2.60 135.00 129.96 2gt3 s PRO 140 Ca 0.24 0.09 0.09 0.00 0.04 0.00 0.00 61.00 61.46 2gt3 s PRO 140 Cb -0.11 -1.80 -0.14 0.00 0.04 0.00 0.00 34.50 32.49 2gt3 s PRO 140 CO -0.10 -2.50 0.17 1.28 0.04 0.00 0.00 177.00 175.89 2gt3 n LEU 141 N -3.93 0.00 -4.63 -3.56 7.99 -1.26 -2.96 117.00 108.64 2gt3 n LEU 141 Ca 0.09 0.00 -0.24 0.00 -0.01 0.00 0.00 56.01 55.85 2gt3 n LEU 141 Cb 0.59 0.05 -0.08 0.00 -0.11 0.00 0.00 43.42 43.88 2gt3 n LEU 141 CO 0.53 0.05 -0.31 0.42 -1.51 0.00 0.00 177.39 176.57 2gt3 s THR 142 N -2.56 2.79 0.20 -5.08 -4.23 -1.26 -5.01 115.64 100.49 2gt3 s THR 142 Ca -0.04 -1.98 0.06 0.00 -1.18 0.00 0.00 61.69 58.56 2gt3 s THR 142 Cb 0.05 -2.78 -0.11 0.00 1.34 0.00 0.00 72.50 71.01 2gt3 s THR 142 CO 0.39 -0.25 1.46 1.55 -0.54 0.00 0.00 174.62 177.24 2gt3 h PRO 143 N 1.84 0.11 -0.04 3.99 0.13 -2.00 -2.83 132.00 133.20 2gt3 h PRO 143 Ca -0.43 -0.10 -0.08 0.00 -0.87 0.00 0.00 66.00 64.51 2gt3 h PRO 143 Cb 1.25 0.03 -0.01 0.00 0.13 0.00 0.00 31.00 32.40 2gt3 h PRO 143 CO 0.65 0.83 -0.36 0.93 -0.23 0.00 0.00 178.00 179.82 2gt3 h GLU 144 N 0.07 0.08 -0.09 0.86 5.08 -1.99 -1.40 114.58 117.18 2gt3 h GLU 144 Ca -0.02 -0.03 -0.24 0.00 -1.00 0.00 0.00 59.36 58.07 2gt3 h GLU 144 Cb 1.37 -0.00 0.01 0.00 0.50 0.00 0.00 28.75 30.62 2gt3 h GLU 144 CO 0.11 0.43 -0.88 1.96 -1.00 0.00 0.00 179.01 179.64 2gt3 h GLN 145 N 0.07 0.71 0.13 2.33 4.20 -1.95 -1.42 115.11 119.18 2gt3 h GLN 145 Ca 0.01 -0.65 -0.01 0.00 0.06 0.00 0.00 58.65 58.06 2gt3 h GLN 145 Cb 0.67 0.16 0.00 0.00 0.30 0.00 0.00 27.48 28.61 2gt3 h GLN 145 CO 0.05 1.25 -0.06 0.22 -0.67 0.00 0.00 178.83 179.62 2gt3 h ASP 146 N 0.46 -0.15 -0.50 1.46 1.82 -1.24 0.28 116.42 118.54 2gt3 h ASP 146 Ca -0.08 -0.15 0.03 0.00 -0.39 0.00 0.00 57.03 56.45 2gt3 h ASP 146 Cb 1.51 0.04 -0.04 0.00 0.68 0.00 0.00 39.33 41.52 2gt3 h ASP 146 CO 0.17 0.06 0.28 0.00 -1.61 0.00 0.00 179.24 178.14 2gt3 h ALA 147 N 0.48 0.65 -0.57 -0.78 0.00 -1.32 0.12 119.26 117.83 2gt3 h ALA 147 Ca -0.02 0.00 0.02 0.00 0.00 0.00 0.00 54.91 54.91 2gt3 h ALA 147 Cb 0.29 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 17.93 2gt3 h ALA 147 CO 0.03 -0.03 0.36 0.00 0.00 0.00 0.00 179.25 179.60 2gt3 h ALA 148 N 1.24 0.73 0.20 0.00 0.00 -1.06 0.76 119.26 121.13 2gt3 h ALA 148 Ca 0.21 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.10 2gt3 h ALA 148 Cb 0.06 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.65 2gt3 h ALA 148 CO -0.12 0.10 -0.18 0.00 0.00 0.00 0.00 179.25 179.06 2gt3 h ALA 149 N 1.24 -0.37 -0.47 0.00 0.00 0.49 1.10 119.26 121.24 2gt3 h ALA 149 Ca 0.22 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 55.08 2gt3 h ALA 149 Cb -0.02 0.25 -0.02 0.00 0.00 0.00 0.00 17.79 18.00 2gt3 h ALA 149 CO -0.08 -0.73 0.30 0.00 0.00 0.00 0.00 179.25 178.74 2gt3 h ARG 150 N -0.40 0.62 -0.31 0.00 2.47 -0.37 0.62 114.38 117.01 2gt3 h ARG 150 Ca -0.00 -0.04 -0.00 0.00 -1.26 0.00 0.00 59.98 58.67 2gt3 h ARG 150 Cb 0.37 -0.14 -0.02 0.00 -1.65 0.00 0.00 29.97 28.54 2gt3 h ARG 150 CO -0.04 0.42 0.19 0.00 0.56 0.00 0.00 179.97 181.11 2gt3 h ALA 151 N 1.16 0.40 -0.74 0.04 0.00 0.92 0.41 119.26 121.45 2gt3 h ALA 151 Ca 0.17 -0.05 -0.05 0.00 0.00 0.00 0.00 54.91 54.98 2gt3 h ALA 151 Cb -0.05 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 17.58 2gt3 h ALA 151 CO -0.04 -0.10 0.25 0.66 0.00 0.00 0.00 179.25 180.03 2gt3 h SER 152 N 0.40 1.05 0.16 0.00 4.64 0.17 0.21 113.55 120.18 2gt3 h SER 152 Ca 0.11 -0.18 -0.01 0.00 -0.47 0.00 0.00 61.79 61.24 2gt3 h SER 152 Cb 0.02 -0.27 0.00 0.00 -0.31 0.00 0.00 62.40 61.83 2gt3 h SER 152 CO -0.02 0.96 -0.08 0.25 -0.87 0.00 0.00 176.83 177.07 2gt3 h LEU 153 N 1.09 -0.18 -1.49 5.97 6.46 0.79 0.51 115.31 128.45 2gt3 h LEU 153 Ca 0.24 -0.15 0.00 0.00 -0.12 0.00 0.00 57.88 57.85 2gt3 h LEU 153 Cb 0.27 0.05 -0.03 0.00 -0.73 0.00 0.00 40.66 40.23 2gt3 h LEU 153 CO -0.01 0.05 0.33 -0.08 -0.62 0.00 0.00 178.44 178.11 2gt3 h GLU 154 N -0.41 0.67 -0.03 1.25 4.57 0.00 0.22 114.58 120.86 2gt3 h GLU 154 Ca -0.02 -0.04 -0.17 0.00 -1.18 0.00 0.00 59.36 57.95 2gt3 h GLU 154 Cb 0.32 -0.15 -0.01 0.00 -0.16 0.00 0.00 28.75 28.75 2gt3 h GLU 154 CO 0.04 0.45 -0.74 0.00 -1.18 0.00 0.00 179.01 177.58 2gt3 h ARG 155 N 0.69 0.19 -0.02 1.92 2.47 -0.26 -3.13 114.38 116.25 2gt3 h ARG 155 Ca 0.19 -0.17 -0.18 0.00 -1.26 0.00 0.00 59.98 58.56 2gt3 h ARG 155 Cb -0.07 0.04 -0.01 0.00 -1.65 0.00 0.00 29.97 28.27 2gt3 h ARG 155 CO -0.04 0.84 -0.80 0.35 0.56 0.00 0.00 179.97 180.89 2gt3 h PHE 156 N 0.13 0.29 -1.00 3.04 3.57 0.13 -2.98 116.94 120.12 2gt3 h PHE 156 Ca -0.02 -0.15 0.18 0.00 3.53 0.00 0.00 57.97 61.51 2gt3 h PHE 156 Cb 1.30 -0.04 -0.10 0.00 2.79 0.00 0.00 35.95 39.91 2gt3 h PHE 156 CO 0.02 0.91 0.62 0.37 -2.23 0.00 0.00 178.31 178.00 2gt3 h GLN 157 N 0.13 0.75 0.03 1.11 -0.00 -0.56 0.30 115.11 116.87 2gt3 h GLN 157 Ca -0.03 -0.05 -0.23 0.00 -0.00 0.00 0.00 58.65 58.35 2gt3 h GLN 157 Cb 1.39 -0.17 -0.00 0.00 0.00 0.00 0.00 27.48 28.69 2gt3 h GLN 157 CO 0.12 0.50 -0.99 0.00 0.00 0.00 0.00 178.83 178.46 2gt3 h ALA 158 N 1.62 0.36 0.41 3.38 0.00 -1.63 -2.73 119.26 120.68 2gt3 h ALA 158 Ca 0.55 -0.76 -0.01 0.00 0.00 0.00 0.00 54.91 54.69 2gt3 h ALA 158 Cb 0.85 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.59 2gt3 h ALA 158 CO -0.34 0.91 -0.32 0.00 0.00 0.00 0.00 179.25 179.49 2gt3 h ALA 159 N 0.80 -0.74 -0.41 0.00 0.00 -0.38 -1.85 119.26 116.68 2gt3 h ALA 159 Ca -0.08 -0.13 0.01 0.00 0.00 0.00 0.00 54.91 54.72 2gt3 h ALA 159 Cb 1.65 0.44 -0.02 0.00 0.00 0.00 0.00 17.79 19.85 2gt3 h ALA 159 CO 0.16 -0.94 0.27 0.00 0.00 0.00 0.00 179.25 178.74 2gt3 h MET 160 N -0.73 0.49 -0.90 0.00 -0.00 -0.93 -0.97 114.93 111.90 2gt3 h MET 160 Ca -0.04 -0.03 0.08 0.00 -0.00 0.00 0.00 59.70 59.72 2gt3 h MET 160 Cb 0.63 -0.11 -0.06 0.00 -0.00 0.00 0.00 31.60 32.06 2gt3 h MET 160 CO -0.01 0.32 0.58 -0.07 -0.00 0.00 0.00 176.91 177.74 2gt3 h LEU 161 N 0.50 0.85 -1.48 -0.10 -0.00 -1.03 0.41 115.31 114.47 2gt3 h LEU 161 Ca 0.16 0.02 -0.05 0.00 -0.00 0.00 0.00 57.88 58.00 2gt3 h LEU 161 Cb 0.01 -0.16 -0.01 0.00 -0.00 0.00 0.00 40.66 40.50 2gt3 h LEU 161 CO -0.04 0.52 -0.23 0.00 -0.00 0.00 0.00 178.44 178.70 2gt3 h ALA 162 N 1.53 1.21 0.00 1.53 0.00 -0.49 -0.29 119.26 122.76 2gt3 h ALA 162 Ca 0.40 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 55.11 2gt3 h ALA 162 Cb 0.31 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.06 2gt3 h ALA 162 CO -0.16 0.28 0.00 0.00 0.00 0.00 0.00 179.25 179.37 2gt3 n ALA 163 N -2.31 2.42 -1.60 0.00 0.00 0.14 -4.85 120.51 114.31 2gt3 n ALA 163 Ca -0.01 -0.14 -0.00 0.00 0.00 0.00 0.00 53.44 53.29 2gt3 n ALA 163 Cb 0.35 -1.46 -0.00 0.00 0.00 0.00 0.00 19.45 18.33 2gt3 n ALA 163 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 2gt3 n ASP 164 N -1.25 -1.87 -4.52 0.00 2.03 -0.12 -5.00 116.55 105.81 2gt3 n ASP 164 Ca 0.14 0.00 -0.43 0.00 0.52 0.00 0.00 54.79 55.03 2gt3 n ASP 164 Cb 0.21 -0.57 -0.06 0.00 -0.72 0.00 0.00 41.12 39.98 2gt3 n ASP 164 CO 0.00 0.00 0.00 -1.81 -1.92 0.00 0.00 177.20 173.47 2gt3 s ASP 165 N -2.99 6.36 0.00 1.67 1.01 -0.76 -4.87 116.67 117.09 2gt3 s ASP 165 Ca 0.00 -0.28 0.30 0.00 0.71 0.00 0.00 52.55 53.28 2gt3 s ASP 165 Cb 0.00 -2.36 1.42 0.00 1.01 0.00 0.00 42.92 42.99 2gt3 s ASP 165 CO 0.00 -0.91 1.96 -0.90 0.21 0.00 0.00 175.17 175.53 2gt3 n ASP 166 N 6.62 0.54 -4.55 0.27 5.68 -1.26 -4.31 116.55 119.54 2gt3 n ASP 166 Ca 0.00 -0.92 -0.41 0.00 -0.50 0.00 0.00 54.79 52.97 2gt3 n ASP 166 Cb 0.48 -0.04 -0.03 0.00 -1.14 0.00 0.00 41.12 40.39 2gt3 n ASP 166 CO 0.00 0.00 0.00 -0.13 -1.33 0.00 0.00 177.20 175.74 2gt3 s ARG 167 N -2.21 3.19 0.53 0.11 3.00 -1.26 -4.98 118.95 117.33 2gt3 s ARG 167 Ca 0.37 -0.28 -0.22 0.00 0.00 0.00 0.00 55.73 55.60 2gt3 s ARG 167 Cb 0.21 -4.34 -0.05 0.00 0.00 0.00 0.00 34.95 30.76 2gt3 s ARG 167 CO 0.41 -2.21 1.32 -1.58 0.00 0.00 0.00 175.30 173.23 2gt3 s HIS 168 N 5.95 2.41 0.27 -0.53 2.46 -1.26 -4.75 115.29 119.83 2gt3 s HIS 168 Ca 0.39 1.41 -0.30 0.00 0.47 0.00 0.00 55.06 57.03 2gt3 s HIS 168 Cb -0.07 -3.71 -0.13 0.00 -0.13 0.00 0.00 32.58 28.54 2gt3 s HIS 168 CO 0.12 -2.60 1.39 -0.89 -2.47 0.00 0.00 174.74 170.29 2gt3 n ILE 169 N -0.93 1.25 -0.07 0.89 5.41 -1.26 -4.56 119.36 120.09 2gt3 n ILE 169 Ca 0.10 -0.31 -0.09 0.00 1.00 0.00 0.00 62.75 63.44 2gt3 n ILE 169 Cb 0.46 -1.53 -0.07 0.00 -0.71 0.00 0.00 39.64 37.79 2gt3 n ILE 169 CO 0.00 0.00 0.00 1.07 0.00 0.00 0.00 176.55 177.62 2gt3 n THR 170 N 1.48 0.79 -1.27 1.39 5.66 0.25 -4.87 114.28 117.71 2gt3 n THR 170 Ca 0.09 -0.31 -0.39 0.00 -3.05 0.00 0.00 64.05 60.39 2gt3 n THR 170 Cb 0.33 -0.98 0.01 0.00 -1.55 0.00 0.00 70.33 68.15 2gt3 n THR 170 CO 0.00 0.00 0.00 1.07 -3.05 0.00 0.00 175.07 173.09 2gt3 n THR 171 N -2.88 0.16 -4.30 1.09 5.66 -0.01 -4.65 114.28 109.35 2gt3 n THR 171 Ca -0.24 -0.50 -0.22 0.00 -3.05 0.00 0.00 64.05 60.03 2gt3 n THR 171 Cb 0.77 -0.04 -0.12 0.00 -1.55 0.00 0.00 70.33 69.39 2gt3 n THR 171 CO 0.00 0.00 0.00 -1.83 -3.05 0.00 0.00 175.07 170.19 2gt3 s GLU 172 N -1.06 1.16 -0.10 1.09 -1.05 -0.95 -4.98 118.70 112.82 2gt3 s GLU 172 Ca 0.58 -1.26 0.02 0.00 -0.15 0.00 0.00 54.97 54.16 2gt3 s GLU 172 Cb -0.51 -1.30 -0.02 0.00 -0.44 0.00 0.00 34.13 31.86 2gt3 s GLU 172 CO 0.65 0.28 -0.15 0.42 0.95 0.00 0.00 175.26 177.42 2gt3 s ILE 173 N -1.60 2.94 0.15 1.83 1.01 -1.26 -2.03 121.20 122.25 2gt3 s ILE 173 Ca 0.10 -0.72 -0.14 0.00 0.00 0.00 0.00 60.65 59.89 2gt3 s ILE 173 Cb -0.08 -2.20 0.02 0.00 0.01 0.00 0.00 42.46 40.21 2gt3 s ILE 173 CO 0.05 0.55 0.38 0.00 0.00 0.00 0.00 174.94 175.92 2gt3 s ALA 174 N -0.02 -0.62 0.42 9.38 0.00 -1.08 -4.99 121.76 124.86 2gt3 s ALA 174 Ca -0.04 -0.37 -0.26 0.00 0.00 0.00 0.00 51.96 51.29 2gt3 s ALA 174 Cb -0.14 0.75 -0.09 0.00 0.00 0.00 0.00 23.12 23.64 2gt3 s ALA 174 CO 0.04 -0.68 1.41 -1.71 0.00 0.00 0.00 175.76 174.83 2gt3 n ASN 175 N -0.24 3.28 -4.59 0.00 2.85 -1.26 -4.26 115.26 111.05 2gt3 n ASN 175 Ca -0.12 1.15 -0.54 0.00 -0.11 0.00 0.00 54.58 54.95 2gt3 n ASN 175 Cb 0.63 -1.59 -0.07 0.00 1.24 0.00 0.00 39.78 40.00 2gt3 n ASN 175 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 2gt3 n ALA 176 N -0.04 -1.45 -2.61 5.20 0.00 -1.16 -4.91 120.51 115.55 2gt3 n ALA 176 Ca 0.04 0.52 -0.22 0.00 0.00 0.00 0.00 53.44 53.79 2gt3 n ALA 176 Cb 0.40 -2.02 -0.04 0.00 0.00 0.00 0.00 19.45 17.79 2gt3 n ALA 176 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 2gt3 s THR 177 N 0.75 3.77 -0.72 0.00 -4.23 -1.26 -5.04 115.64 108.90 2gt3 s THR 177 Ca 0.88 -1.43 -0.26 0.00 -1.18 0.00 0.00 61.69 59.70 2gt3 s THR 177 Cb -1.04 -3.22 0.00 0.00 1.34 0.00 0.00 72.50 69.58 2gt3 s THR 177 CO 0.52 -0.24 1.59 -2.16 -0.54 0.00 0.00 174.62 173.78 2gt3 s PRO 178 N -3.92 2.93 0.05 3.99 0.04 -1.26 -4.98 135.00 131.85 2gt3 s PRO 178 Ca 0.38 0.06 -0.04 0.00 0.04 0.00 0.00 61.00 61.44 2gt3 s PRO 178 Cb -0.06 -4.41 -0.05 0.00 0.04 0.00 0.00 34.50 30.02 2gt3 s PRO 178 CO 0.25 -2.49 0.26 -0.59 0.04 0.00 0.00 177.00 174.48 2gt3 s PHE 179 N 7.41 3.53 -0.02 0.56 -0.12 -1.26 -4.87 117.98 123.21 2gt3 s PHE 179 Ca 0.52 0.45 0.02 0.00 -0.05 0.00 0.00 56.93 57.86 2gt3 s PHE 179 Cb -0.09 -1.90 -0.03 0.00 -0.63 0.00 0.00 43.02 40.36 2gt3 s PHE 179 CO 0.15 0.57 -0.04 0.71 -0.05 0.00 0.00 175.22 176.56 2gt3 s TYR 180 N -1.44 2.99 0.46 3.49 2.02 -1.08 -4.92 117.35 118.87 2gt3 s TYR 180 Ca 0.32 0.04 -0.24 0.00 -0.37 0.00 0.00 57.07 56.83 2gt3 s TYR 180 Cb -0.13 -1.67 -0.07 0.00 -0.40 0.00 0.00 41.96 39.69 2gt3 s TYR 180 CO 0.22 0.41 1.24 0.71 -1.57 0.00 0.00 175.55 176.55 2gt3 s TYR 181 N -0.97 2.76 0.57 2.71 1.51 -1.26 -1.76 117.35 120.91 2gt3 s TYR 181 Ca 0.16 1.47 -0.03 0.00 -1.01 0.00 0.00 57.07 57.67 2gt3 s TYR 181 Cb -0.11 -3.54 0.02 0.00 -0.11 0.00 0.00 41.96 38.21 2gt3 s TYR 181 CO 0.06 -1.92 0.83 0.00 -1.11 0.00 0.00 175.55 173.41 2gt3 s ALA 182 N -1.40 3.54 0.91 3.71 0.00 0.17 -4.67 121.76 124.01 2gt3 s ALA 182 Ca 0.63 -0.98 -0.15 0.00 0.00 0.00 0.00 51.96 51.45 2gt3 s ALA 182 Cb -0.34 -2.36 -0.06 0.00 0.00 0.00 0.00 23.12 20.37 2gt3 s ALA 182 CO 0.42 -0.77 -0.09 -1.91 0.00 0.00 0.00 175.76 173.41 2gt3 n GLU 183 N -2.46 -0.07 0.02 0.00 4.07 -1.26 -4.55 120.64 116.39 2gt3 n GLU 183 Ca 0.05 0.00 -0.01 0.00 -0.06 0.00 0.00 57.16 57.15 2gt3 n GLU 183 Cb 0.59 -1.46 0.28 0.00 -0.06 0.00 0.00 31.44 30.79 2gt3 n GLU 183 CO 0.00 0.00 0.00 0.38 -0.06 0.00 0.00 177.13 177.45 2gt3 h ASP 184 N -1.07 0.45 -0.98 4.31 3.04 -1.92 0.37 116.42 120.62 2gt3 h ASP 184 Ca -0.44 -0.10 0.05 0.00 -3.24 0.00 0.00 57.03 53.30 2gt3 h ASP 184 Cb 1.31 -0.12 -0.06 0.00 -1.04 0.00 0.00 39.33 39.42 2gt3 h ASP 184 CO 0.32 0.59 0.64 0.44 -2.04 0.00 0.00 179.24 179.18 2gt3 h ASP 185 N 0.44 1.04 0.42 4.15 5.19 -1.96 -1.58 116.42 124.12 2gt3 h ASP 185 Ca 0.09 -0.00 -0.26 0.00 -0.62 0.00 0.00 57.03 56.23 2gt3 h ASP 185 Cb 0.44 -0.23 0.01 0.00 0.18 0.00 0.00 39.33 39.73 2gt3 h ASP 185 CO 0.02 0.69 -1.13 0.45 -3.12 0.00 0.00 179.24 176.16 2gt3 h HIS 186 N 1.19 0.64 -1.60 4.55 3.86 -1.70 -3.39 115.15 118.71 2gt3 h HIS 186 Ca 0.41 -0.40 -0.65 0.00 -1.16 0.00 0.00 60.37 58.57 2gt3 h HIS 186 Cb 0.09 -0.05 0.00 0.00 1.06 0.00 0.00 27.41 28.51 2gt3 h HIS 186 CO -0.00 1.26 1.27 0.94 0.86 0.00 0.00 177.93 182.27 2gt3 n GLN 187 N -3.67 1.61 -3.65 2.45 -0.06 0.05 -1.37 117.38 112.74 2gt3 n GLN 187 Ca -0.09 0.52 -0.24 0.00 -2.00 0.00 0.00 57.00 55.19 2gt3 n GLN 187 Cb 0.94 -2.62 0.04 0.00 -4.06 0.00 0.00 30.24 24.54 2gt3 n GLN 187 CO 0.00 0.00 0.00 1.04 -0.20 0.00 0.00 177.06 177.90 2gt3 n GLN 188 N 7.50 -3.24 -0.08 3.69 1.13 -1.26 -4.89 117.38 120.22 2gt3 n GLN 188 Ca 0.32 0.59 -0.10 0.00 -1.94 0.00 0.00 57.00 55.86 2gt3 n GLN 188 Cb 0.28 -4.88 -0.03 0.00 0.11 0.00 0.00 30.24 25.71 2gt3 n GLN 188 CO 0.00 0.00 0.00 -0.92 -1.44 0.00 0.00 177.06 174.70 2gt3 h TYR 189 N -1.76 0.42 0.00 1.08 5.03 -1.42 -1.38 116.97 118.93 2gt3 h TYR 189 Ca -0.63 -0.04 0.00 0.00 2.58 0.00 0.00 58.73 60.64 2gt3 h TYR 189 Cb 1.35 -0.12 0.00 0.00 1.55 0.00 0.00 36.73 39.51 2gt3 h TYR 189 CO 0.40 0.46 0.00 -0.11 -1.32 0.00 0.00 178.16 177.59 2gt3 n LEU 190 N -4.74 0.56 -0.01 2.82 -0.00 -1.26 -1.35 117.00 113.02 2gt3 n LEU 190 Ca -0.03 0.73 -0.17 0.00 -0.00 0.00 0.00 56.01 56.55 2gt3 n LEU 190 Cb 0.15 -0.77 -0.11 0.00 -0.00 0.00 0.00 43.42 42.70 2gt3 n LEU 190 CO 0.36 -0.85 0.30 -0.74 -0.00 0.00 0.00 177.39 176.46 2gt3 h HIS 191 N 0.00 0.49 0.00 1.96 -0.00 -1.59 -2.90 115.15 113.11 2gt3 h HIS 191 Ca 0.00 -0.27 -0.07 0.00 -0.00 0.00 0.00 60.37 60.03 2gt3 h HIS 191 Cb 0.08 -0.06 -0.01 0.00 -0.00 0.00 0.00 27.41 27.42 2gt3 h HIS 191 CO 0.00 1.08 -0.35 -0.22 -0.00 0.00 0.00 177.93 178.44 2gt3 h LYS 192 N -0.24 0.00 -3.12 5.26 3.64 -1.03 -3.38 116.57 117.70 2gt3 h LYS 192 Ca -0.06 0.00 -0.53 0.00 -1.27 0.00 0.00 60.65 58.79 2gt3 h LYS 192 Cb 1.21 0.00 -0.40 0.00 -0.41 0.00 0.00 32.23 32.63 2gt3 h LYS 192 CO 0.10 0.35 -0.77 0.54 -2.27 0.00 0.00 179.45 177.40 2gt3 s ASN 193 N -6.58 3.42 0.33 4.20 2.20 -0.73 -4.98 114.94 112.79 2gt3 s ASN 193 Ca -0.01 -1.23 0.17 0.00 -0.94 0.00 0.00 52.86 50.85 2gt3 s ASN 193 Cb 0.13 -0.50 0.44 0.00 -2.00 0.00 0.00 41.25 39.31 2gt3 s ASN 193 CO 0.69 -0.40 1.62 1.55 -2.94 0.00 0.00 177.10 177.61 2gt3 h PRO 194 N 8.31 0.00 -0.54 3.55 0.13 -1.71 -2.91 132.00 138.83 2gt3 h PRO 194 Ca -0.17 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.96 2gt3 h PRO 194 Cb 1.04 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.17 2gt3 h PRO 194 CO 0.41 0.45 0.00 2.48 -0.23 0.00 0.00 178.00 181.12 2gt3 n TYR 195 N -3.43 0.71 0.00 1.56 4.11 -1.26 -4.93 117.16 113.92 2gt3 n TYR 195 Ca 0.00 -0.36 0.00 0.00 -0.00 0.00 0.00 57.90 57.55 2gt3 n TYR 195 Cb 0.60 0.00 0.00 0.00 -0.00 0.00 0.00 39.34 39.94 2gt3 n TYR 195 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.86 177.27 2gt3 n GLY 196 N 1.53 -1.98 3.49 -7.48 0.00 -1.10 -4.77 105.19 94.89 2gt3 n GLY 196 Ca 0.21 -1.30 -0.53 0.00 0.00 0.00 0.00 46.02 44.41 2gt3 n GLY 196 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 2gt3 n TYR 197 N -0.35 1.70 -4.11 1.61 4.02 -1.26 -4.92 117.16 113.85 2gt3 n TYR 197 Ca 0.00 0.35 -0.08 0.00 -0.01 0.00 0.00 57.90 58.16 2gt3 n TYR 197 Cb 0.00 -2.51 -0.10 0.00 -0.02 0.00 0.00 39.34 36.71 2gt3 n TYR 197 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 2gt3 n GLY 199 N 0.07 0.56 0.33 0.00 0.00 -1.26 -5.08 105.19 99.81 2gt3 n GLY 199 Ca -0.13 -0.47 -0.17 0.00 0.00 0.00 0.00 46.02 45.25 2gt3 n GLY 199 CO 0.00 0.00 0.00 4.51 0.00 0.00 0.00 173.32 177.83 2gt3 n ILE 200 N 0.00 0.98 -1.63 -0.61 3.06 -1.26 -4.83 119.36 115.07 2gt3 n ILE 200 Ca 0.00 -0.29 -0.53 0.00 -2.50 0.00 0.00 62.75 59.43 2gt3 n ILE 200 Cb 0.00 -1.54 -0.06 0.00 0.54 0.00 0.00 39.64 38.58 2gt3 n ILE 200 CO 0.00 0.00 0.00 0.61 -2.50 0.00 0.00 176.55 174.66 2gt3 n GLY 201 N 2.14 0.93 0.00 4.50 0.00 -1.26 -4.77 105.19 106.72 2gt3 n GLY 201 Ca -0.34 0.92 0.00 0.00 0.00 0.00 0.00 46.02 46.60 2gt3 n GLY 201 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2gt3 n GLY 202 N 4.96 0.52 1.04 -0.02 0.00 -1.26 -5.11 105.19 105.33 2gt3 n GLY 202 Ca 0.30 0.48 0.00 0.00 0.00 0.00 0.00 46.02 46.80 2gt3 n GLY 202 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 2gt3 n ILE 203 N 0.00 0.89 0.00 -0.61 -0.00 -1.26 -4.62 119.36 113.77 2gt3 n ILE 203 Ca 0.00 0.30 0.00 0.00 -0.00 0.00 0.00 62.75 63.05 2gt3 n ILE 203 Cb 0.00 -1.42 0.00 0.00 -0.00 0.00 0.00 39.64 38.22 2gt3 n ILE 203 CO 0.00 0.00 0.00 0.61 -0.00 0.00 0.00 176.55 177.16 2gt3 n GLY 204 N 3.48 2.13 3.72 7.39 0.00 -1.26 -4.89 105.19 115.76 2gt3 n GLY 204 Ca 0.00 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.64 2gt3 n GLY 204 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2gt3 s VAL 205 N -2.12 5.15 0.10 1.61 1.01 -1.26 -4.92 120.40 119.97 2gt3 s VAL 205 Ca 0.00 1.07 0.00 0.00 0.00 0.00 0.00 61.98 63.05 2gt3 s VAL 205 Cb 0.00 -3.87 0.00 0.00 0.00 0.00 0.00 36.38 32.51 2gt3 s VAL 205 CO 0.00 0.31 0.00 0.00 0.00 0.00 0.00 175.10 175.41 2gt3 s LEU 207 N -6.97 2.26 0.98 0.00 0.05 -1.26 -5.12 118.68 108.61 2gt3 s LEU 207 Ca 0.00 -0.56 -0.15 0.00 0.05 0.00 0.00 54.13 53.48 2gt3 s LEU 207 Cb 0.00 0.13 0.18 0.00 -2.05 0.00 0.00 46.19 44.45 2gt3 s LEU 207 CO 0.00 -0.34 1.17 -2.16 -0.55 0.00 0.00 176.35 174.47 2gt3 s PRO 208 N -1.78 0.53 0.24 1.48 0.04 -1.26 -4.88 135.00 129.36 2gt3 s PRO 208 Ca -0.13 0.06 -0.04 0.00 0.04 0.00 0.00 61.00 60.93 2gt3 s PRO 208 Cb -0.08 -1.79 0.06 0.00 0.04 0.00 0.00 34.50 32.73 2gt3 s PRO 208 CO -0.02 -2.57 0.26 -0.35 0.04 0.00 0.00 177.00 174.36 2gt3 n PRO 209 N -3.98 -0.86 -0.05 0.56 -0.04 -1.26 -4.96 135.00 124.40 2gt3 n PRO 209 Ca 0.10 -0.41 -0.09 0.00 -0.04 0.00 0.00 63.50 63.06 2gt3 n PRO 209 Cb 0.59 -0.32 0.07 0.00 -0.04 0.00 0.00 33.50 33.80 2gt3 n PRO 209 CO 0.00 0.00 0.00 0.93 -0.04 0.00 0.00 175.50 176.39 2gt3 h GLU 210 N 0.00 0.70 0.00 0.54 5.08 -2.00 -3.51 114.58 115.39 2gt3 h GLU 210 Ca -0.09 -0.35 0.00 0.00 -1.00 0.00 0.00 59.36 57.92 2gt3 h GLU 210 Cb 0.26 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.51 2gt3 h GLU 210 CO 0.06 0.96 0.00 0.00 -1.00 0.00 0.00 179.01 179.03