#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 2.24 -4.08 -3.43 4.77 -1.26 -5.05 117.00 110.19 2gt3 n LEU 2 Ca 0.00 0.06 -0.07 0.00 -0.03 0.00 0.00 56.01 55.96 2gt3 n LEU 2 Cb 0.00 -0.61 -0.10 0.00 -2.33 0.00 0.00 43.42 40.38 2gt3 n LEU 2 CO 0.00 0.62 -0.36 -0.36 -1.33 0.00 0.00 177.39 175.96 2gt3 s PHE 3 N -2.36 0.51 -0.39 -1.77 0.40 -1.26 -5.07 117.98 108.04 2gt3 s PHE 3 Ca -0.26 -0.99 0.10 0.00 -0.60 0.00 0.00 56.93 55.18 2gt3 s PHE 3 Cb 0.08 -0.37 0.44 0.00 0.51 0.00 0.00 43.02 43.68 2gt3 s PHE 3 CO 0.39 -0.34 1.06 -0.25 0.70 0.00 0.00 175.22 176.77 2gt3 n ASP 4 N 0.29 3.56 -1.45 1.36 8.00 -1.26 -4.83 116.55 122.22 2gt3 n ASP 4 Ca -0.15 -3.34 -0.09 0.00 0.71 0.00 0.00 54.79 51.92 2gt3 n ASP 4 Cb 0.60 -0.48 0.06 0.00 -0.02 0.00 0.00 41.12 41.29 2gt3 n ASP 4 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 2gt3 n LYS 5 N -0.36 1.45 0.01 -1.24 4.76 -1.26 -4.07 118.16 117.45 2gt3 n LYS 5 Ca 0.29 -1.09 0.09 0.00 -2.87 0.00 0.00 58.31 54.73 2gt3 n LYS 5 Cb 0.73 -1.43 0.41 0.00 -1.84 0.00 0.00 35.03 32.91 2gt3 n LYS 5 CO 0.00 0.00 0.00 0.36 -1.37 0.00 0.00 177.40 176.39 2gt3 n LYS 6 N -0.09 0.02 -1.90 1.97 2.85 -1.26 -3.86 118.16 115.89 2gt3 n LYS 6 Ca 0.22 0.20 -0.41 0.00 -1.05 0.00 0.00 58.31 57.26 2gt3 n LYS 6 Cb 0.92 -1.54 -0.01 0.00 -0.65 0.00 0.00 35.03 33.75 2gt3 n LYS 6 CO 0.00 0.00 0.00 -1.58 -0.05 0.00 0.00 177.40 175.77 2gt3 s HIS 7 N -3.03 2.83 0.36 5.58 2.46 -1.26 -4.94 115.29 117.30 2gt3 s HIS 7 Ca 0.09 1.05 0.05 0.00 0.47 0.00 0.00 55.06 56.72 2gt3 s HIS 7 Cb 0.12 -3.93 -0.07 0.00 -0.13 0.00 0.00 32.58 28.57 2gt3 s HIS 7 CO 0.36 -2.91 0.03 -0.48 -2.47 0.00 0.00 174.74 169.27 2gt3 s LEU 8 N -1.07 2.48 0.26 8.88 2.34 -1.26 -4.62 118.68 125.70 2gt3 s LEU 8 Ca 0.57 -1.36 0.10 0.00 0.06 0.00 0.00 54.13 53.50 2gt3 s LEU 8 Cb -0.45 -0.61 -0.05 0.00 -0.56 0.00 0.00 46.19 44.52 2gt3 s LEU 8 CO 0.51 -0.53 -0.17 0.54 -1.06 0.00 0.00 176.35 175.65 2gt3 s VAL 9 N -3.04 2.21 0.44 1.48 0.11 -1.26 -5.10 120.40 115.24 2gt3 s VAL 9 Ca 0.36 -2.32 0.08 0.00 -2.93 0.00 0.00 61.98 57.16 2gt3 s VAL 9 Cb 0.09 -2.26 0.01 0.00 -1.53 0.00 0.00 36.38 32.68 2gt3 s VAL 9 CO 0.16 -0.43 0.49 -0.44 -3.33 0.00 0.00 175.10 171.55 2gt3 s SER 10 N -3.46 5.26 0.04 3.54 0.01 -1.26 -4.81 113.70 113.02 2gt3 s SER 10 Ca 0.28 -0.66 -0.17 0.00 1.31 0.00 0.00 55.95 56.70 2gt3 s SER 10 Cb -0.03 -0.45 -0.21 0.00 0.21 0.00 0.00 66.02 65.54 2gt3 s SER 10 CO 0.13 -0.79 1.17 1.55 0.41 0.00 0.00 173.24 175.70 2gt3 h PRO 11 N 0.78 0.54 0.00 12.44 0.13 -1.92 0.77 132.00 144.73 2gt3 h PRO 11 Ca -0.39 -0.53 0.00 0.00 -0.87 0.00 0.00 66.00 64.21 2gt3 h PRO 11 Cb 1.28 0.14 0.00 0.00 0.13 0.00 0.00 31.00 32.54 2gt3 h PRO 11 CO 0.51 1.16 0.00 0.00 -0.23 0.00 0.00 178.00 179.44 2gt3 n ALA 12 N -2.59 1.93 -0.10 -0.56 0.00 -1.26 -2.86 120.51 115.07 2gt3 n ALA 12 Ca -0.10 0.01 -0.15 0.00 0.00 0.00 0.00 53.44 53.20 2gt3 n ALA 12 Cb 0.71 -1.40 -0.14 0.00 0.00 0.00 0.00 19.45 18.62 2gt3 n ALA 12 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 2gt3 n ASP 13 N -2.06 1.36 -4.42 0.00 8.00 -1.15 -4.97 116.55 113.29 2gt3 n ASP 13 Ca 0.04 -0.03 -0.35 0.00 0.71 0.00 0.00 54.79 55.16 2gt3 n ASP 13 Cb 0.30 -0.03 0.08 0.00 -0.02 0.00 0.00 41.12 41.45 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 -3.04 -2.08 -1.63 2.24 0.00 0.27 -4.90 120.51 111.36 2gt3 n ALA 14 Ca -0.39 -0.38 -0.33 0.00 0.00 0.00 0.00 53.44 52.34 2gt3 n ALA 14 Cb 1.05 -1.79 0.02 0.00 0.00 0.00 0.00 19.45 18.73 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 -0.02 3.53 0.00 0.00 1.02 -0.10 -4.91 118.68 118.21 2gt3 s LEU 15 Ca 0.61 2.00 0.23 0.00 0.02 0.00 0.00 54.13 56.99 2gt3 s LEU 15 Cb -0.30 -4.56 1.22 0.00 0.02 0.00 0.00 46.19 42.58 2gt3 s LEU 15 CO 0.62 -1.38 1.76 -0.81 0.02 0.00 0.00 176.35 176.56 2gt3 n PRO 16 N -1.97 0.43 -0.32 1.29 -0.04 -1.26 -4.03 135.00 129.10 2gt3 n PRO 16 Ca 0.10 0.05 0.04 0.00 -0.04 0.00 0.00 63.50 63.66 2gt3 n PRO 16 Cb 0.52 -1.50 -0.01 0.00 -0.04 0.00 0.00 33.50 32.47 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 0.62 -0.88 3.00 0.55 0.00 -1.26 -4.13 105.19 103.07 2gt3 n GLY 17 Ca 0.13 -0.76 -0.10 0.00 0.00 0.00 0.00 46.02 45.29 2gt3 n GLY 17 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2gt3 s ARG 18 N -0.57 0.35 -0.84 1.61 0.52 -1.21 -4.89 118.95 113.92 2gt3 s ARG 18 Ca 0.00 -0.61 -0.25 0.00 -0.52 0.00 0.00 55.73 54.35 2gt3 s ARG 18 Cb 0.00 -0.01 -0.07 0.00 0.52 0.00 0.00 34.95 35.39 2gt3 s ARG 18 CO 0.00 -0.02 2.08 0.54 0.02 0.00 0.00 175.30 177.92 2gt3 s ASN 19 N -1.38 4.80 -0.33 0.23 4.22 -1.26 -4.50 114.94 116.72 2gt3 s ASN 19 Ca -0.13 -0.35 0.01 0.00 -2.14 0.00 0.00 52.86 50.25 2gt3 s ASN 19 Cb -0.09 -2.55 0.10 0.00 1.28 0.00 0.00 41.25 39.99 2gt3 s ASN 19 CO -0.01 -3.02 0.09 -0.89 -2.04 0.00 0.00 177.10 171.24 2gt3 s THR 20 N 11.32 1.47 0.26 0.54 2.01 -1.26 -5.11 115.64 124.86 2gt3 s THR 20 Ca 0.77 -1.87 -0.30 0.00 0.31 0.00 0.00 61.69 60.60 2gt3 s THR 20 Cb -0.09 -2.10 -0.09 0.00 0.01 0.00 0.00 72.50 70.23 2gt3 s THR 20 CO 0.04 -0.66 1.08 -2.16 -0.69 0.00 0.00 174.62 172.23 2gt3 s PRO 21 N 1.23 4.65 -0.08 4.92 0.04 -1.26 -4.84 135.00 139.67 2gt3 s PRO 21 Ca 0.11 1.76 0.01 0.00 0.04 0.00 0.00 61.00 62.91 2gt3 s PRO 21 Cb -0.19 -3.21 -0.03 0.00 0.04 0.00 0.00 34.50 31.11 2gt3 s PRO 21 CO -0.17 0.22 -0.08 -1.64 0.04 0.00 0.00 177.00 175.37 2gt3 s MET 22 N -1.22 2.87 0.43 4.56 -1.94 -1.26 -5.11 119.30 117.64 2gt3 s MET 22 Ca 0.45 -0.57 -0.23 0.00 -1.71 0.00 0.00 55.69 53.64 2gt3 s MET 22 Cb -0.31 -2.61 -0.09 0.00 2.01 0.00 0.00 34.83 33.83 2gt3 s MET 22 CO 0.39 0.58 1.05 -1.25 -0.01 0.00 0.00 175.02 175.78 2gt3 s PRO 23 N -0.59 4.02 -0.03 2.03 0.04 -1.26 -4.97 135.00 134.24 2gt3 s PRO 23 Ca 0.09 1.45 0.04 0.00 0.04 0.00 0.00 61.00 62.62 2gt3 s PRO 23 Cb -0.12 -2.36 -0.03 0.00 0.04 0.00 0.00 34.50 32.03 2gt3 s PRO 23 CO 0.02 -0.26 -0.12 0.08 0.04 0.00 0.00 177.00 176.76 2gt3 s VAL 24 N -1.78 3.23 0.85 -0.36 1.01 -1.26 -4.77 120.40 117.31 2gt3 s VAL 24 Ca 0.62 -0.77 -0.12 0.00 0.00 0.00 0.00 61.98 61.71 2gt3 s VAL 24 Cb -0.20 -2.31 0.11 0.00 0.00 0.00 0.00 36.38 33.97 2gt3 s VAL 24 CO 0.25 0.52 1.19 0.00 0.00 0.00 0.00 175.10 177.05 2gt3 s ALA 25 N -0.82 1.70 0.03 5.51 0.00 -1.26 -4.94 121.76 121.97 2gt3 s ALA 25 Ca 0.13 0.77 -0.06 0.00 0.00 0.00 0.00 51.96 52.80 2gt3 s ALA 25 Cb -0.11 -3.48 -0.30 0.00 0.00 0.00 0.00 23.12 19.23 2gt3 s ALA 25 CO 0.03 -2.48 0.98 1.15 0.00 0.00 0.00 175.76 175.44 2gt3 h THR 26 N -1.26 1.30 -4.00 0.00 2.02 -1.99 -3.45 112.91 105.53 2gt3 h THR 26 Ca -0.45 -2.87 -0.19 0.00 0.77 0.00 0.00 66.41 63.67 2gt3 h THR 26 Cb 1.29 2.88 -0.20 0.00 -1.74 0.00 0.00 68.15 70.38 2gt3 h THR 26 CO 0.44 0.85 -0.71 -0.76 0.37 0.00 0.00 175.52 175.72 2gt3 s LEU 27 N -7.17 2.28 1.08 2.58 1.43 -1.26 -4.13 118.68 113.50 2gt3 s LEU 27 Ca -0.07 -0.59 -0.16 0.00 -1.03 0.00 0.00 54.13 52.28 2gt3 s LEU 27 Cb 0.06 0.04 0.13 0.00 0.03 0.00 0.00 46.19 46.46 2gt3 s LEU 27 CO 0.88 -0.32 0.37 1.57 0.23 0.00 0.00 176.35 179.09 2gt3 n HIS 28 N 1.34 -1.26 0.12 0.29 -0.00 0.34 -4.76 115.22 111.29 2gt3 n HIS 28 Ca -0.22 0.11 -0.06 0.00 -0.00 0.00 0.00 57.72 57.55 2gt3 n HIS 28 Cb 0.56 -1.67 -0.03 0.00 -0.00 0.00 0.00 29.99 28.86 2gt3 n HIS 28 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 2gt3 h ALA 29 N -2.09 -0.49 0.02 1.57 0.00 -1.94 -2.70 119.26 113.64 2gt3 h ALA 29 Ca -0.53 -0.08 -0.27 0.00 0.00 0.00 0.00 54.91 54.03 2gt3 h ALA 29 Cb 1.33 0.14 -0.04 0.00 0.00 0.00 0.00 17.79 19.23 2gt3 h ALA 29 CO 0.40 -0.46 -1.49 0.28 0.00 0.00 0.00 179.25 177.98 2gt3 n VAL 30 N -4.12 1.57 0.19 0.00 0.31 -1.26 -4.06 118.33 110.96 2gt3 n VAL 30 Ca -0.04 -0.15 0.12 0.00 -0.01 0.00 0.00 64.34 64.26 2gt3 n VAL 30 Cb 0.14 -1.98 0.69 0.00 -0.91 0.00 0.00 33.84 31.78 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 -0.84 0.00 -1.76 4.52 -0.73 -1.91 -3.44 115.58 111.42 2gt3 h ASN 31 Ca -0.39 0.00 -0.22 0.00 1.87 0.00 0.00 56.30 57.56 2gt3 h ASN 31 Cb 1.44 0.00 -0.08 0.00 0.27 0.00 0.00 38.32 39.95 2gt3 h ASN 31 CO -0.19 0.00 -0.21 0.61 -0.37 0.00 0.00 177.43 177.27 2gt3 n GLY 32 N -1.54 0.86 4.00 1.57 0.00 -1.02 -4.79 105.19 104.28 2gt3 n GLY 32 Ca 0.01 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.85 2gt3 n GLY 32 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2gt3 s HIS 33 N -1.99 2.93 -0.07 1.61 4.02 -1.26 -4.35 115.29 116.18 2gt3 s HIS 33 Ca 0.00 -0.31 -0.30 0.00 1.02 0.00 0.00 55.06 55.48 2gt3 s HIS 33 Cb 0.00 -2.26 -0.04 0.00 -1.02 0.00 0.00 32.58 29.26 2gt3 s HIS 33 CO 0.00 -0.30 1.32 -1.12 1.02 0.00 0.00 174.74 175.66 2gt3 s SER 34 N -4.29 6.92 0.01 1.40 0.01 -1.26 0.13 113.70 116.62 2gt3 s SER 34 Ca 0.52 1.91 -0.17 0.00 1.31 0.00 0.00 55.95 59.51 2gt3 s SER 34 Cb -0.10 -2.55 -0.35 0.00 0.21 0.00 0.00 66.02 63.23 2gt3 s SER 34 CO 0.33 -0.71 0.98 0.24 0.41 0.00 0.00 173.24 174.49 2gt3 h MET 35 N 7.98 0.49 0.07 12.44 2.86 -1.86 -3.35 114.93 133.55 2gt3 h MET 35 Ca -0.33 -0.84 -0.00 0.00 -2.06 0.00 0.00 59.70 56.46 2gt3 h MET 35 Cb 1.15 0.31 0.00 0.00 0.06 0.00 0.00 31.60 33.12 2gt3 h MET 35 CO 0.92 1.40 -0.03 1.79 1.06 0.00 0.00 176.91 182.05 2gt3 h THR 36 N 0.03 1.19 -2.50 2.22 1.35 -1.88 -3.43 112.91 109.89 2gt3 h THR 36 Ca -0.23 -1.00 -0.54 0.00 -0.55 0.00 0.00 66.41 64.09 2gt3 h THR 36 Cb 2.05 1.83 0.06 0.00 -1.73 0.00 0.00 68.15 70.36 2gt3 h THR 36 CO 0.25 0.24 0.95 -3.20 -0.25 0.00 0.00 175.52 173.51 2gt3 n ASN 37 N -4.92 3.69 -4.01 5.36 2.85 -1.26 -4.98 115.26 111.99 2gt3 n ASN 37 Ca -0.08 1.06 -0.30 0.00 -0.11 0.00 0.00 54.58 55.15 2gt3 n ASN 37 Cb 0.24 -1.52 -0.16 0.00 1.24 0.00 0.00 39.78 39.58 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 1.20 1.60 0.47 3.44 1.01 -1.26 -4.84 120.40 122.02 2gt3 s VAL 38 Ca 0.77 -0.75 -0.21 0.00 0.00 0.00 0.00 61.98 61.79 2gt3 s VAL 38 Cb -0.57 -1.56 -0.09 0.00 0.00 0.00 0.00 36.38 34.17 2gt3 s VAL 38 CO 0.35 0.38 1.04 -2.16 0.00 0.00 0.00 175.10 174.70 2gt3 s PRO 39 N 1.46 3.88 0.17 2.72 0.04 -1.26 -4.94 135.00 137.06 2gt3 s PRO 39 Ca 0.03 1.39 -0.34 0.00 0.04 0.00 0.00 61.00 62.12 2gt3 s PRO 39 Cb -0.14 -2.18 -0.14 0.00 0.04 0.00 0.00 34.50 32.08 2gt3 s PRO 39 CO -0.10 -0.37 1.52 -0.25 0.04 0.00 0.00 177.00 177.84 2gt3 n ASP 40 N -0.79 2.87 0.00 6.66 8.00 -1.26 -0.33 116.55 131.71 2gt3 n ASP 40 Ca 0.08 1.10 0.00 0.00 0.71 0.00 0.00 54.79 56.68 2gt3 n ASP 40 Cb 0.52 -1.40 0.00 0.00 -0.02 0.00 0.00 41.12 40.22 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 3.07 3.18 3.77 0.44 0.00 -1.26 -5.03 105.19 109.36 2gt3 n GLY 41 Ca 0.16 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.80 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 -0.46 4.08 0.05 1.61 0.00 0.55 -4.01 119.30 121.12 2gt3 s MET 42 Ca 0.00 1.81 -0.01 0.00 0.00 0.00 0.00 55.69 57.49 2gt3 s MET 42 Cb 0.00 -2.67 -0.04 0.00 0.00 0.00 0.00 34.83 32.12 2gt3 s MET 42 CO 0.00 -0.29 -0.03 -2.00 0.00 0.00 0.00 175.02 172.70 2gt3 s GLU 43 N -2.30 0.61 0.18 4.11 2.12 -0.21 -4.86 118.70 118.36 2gt3 s GLU 43 Ca 0.57 -1.21 0.08 0.00 0.36 0.00 0.00 54.97 54.77 2gt3 s GLU 43 Cb -0.30 0.19 -0.04 0.00 0.26 0.00 0.00 34.13 34.24 2gt3 s GLU 43 CO 0.38 -0.10 -0.02 0.42 -0.54 0.00 0.00 175.26 175.39 2gt3 s ILE 44 N -3.85 3.57 -0.03 -3.70 1.01 -1.26 -0.21 121.20 116.72 2gt3 s ILE 44 Ca 0.07 -1.51 -0.01 0.00 0.00 0.00 0.00 60.65 59.19 2gt3 s ILE 44 Cb 0.07 -2.79 0.03 0.00 0.01 0.00 0.00 42.46 39.78 2gt3 s ILE 44 CO -0.10 -0.13 0.06 0.00 0.00 0.00 0.00 174.94 174.78 2gt3 s ALA 45 N -1.76 0.10 -0.20 9.38 0.00 0.50 -4.65 121.76 125.13 2gt3 s ALA 45 Ca 0.27 0.30 -0.17 0.00 0.00 0.00 0.00 51.96 52.37 2gt3 s ALA 45 Cb -0.09 -0.44 -0.04 0.00 0.00 0.00 0.00 23.12 22.55 2gt3 s ALA 45 CO 0.18 -0.29 0.44 0.42 0.00 0.00 0.00 175.76 176.51 2gt3 s ILE 46 N 1.58 5.17 0.05 0.00 1.01 -1.07 0.14 121.20 128.07 2gt3 s ILE 46 Ca -0.03 0.79 0.02 0.00 0.00 0.00 0.00 60.65 61.43 2gt3 s ILE 46 Cb -0.12 -3.77 -0.03 0.00 0.01 0.00 0.00 42.46 38.55 2gt3 s ILE 46 CO -0.03 0.22 -0.07 -0.36 0.00 0.00 0.00 174.94 174.70 2gt3 s PHE 47 N 1.45 0.63 -0.19 3.97 0.08 -0.34 -0.92 117.98 122.66 2gt3 s PHE 47 Ca 0.21 -0.58 -0.03 0.00 0.12 0.00 0.00 56.93 56.65 2gt3 s PHE 47 Cb -0.15 -0.38 0.06 0.00 -0.57 0.00 0.00 43.02 41.98 2gt3 s PHE 47 CO 0.09 -0.12 0.03 0.00 -0.10 0.00 0.00 175.22 175.12 2gt3 s ALA 48 N -1.79 1.03 -0.21 5.36 0.00 -0.75 0.73 121.76 126.13 2gt3 s ALA 48 Ca -0.07 -0.70 0.18 0.00 0.00 0.00 0.00 51.96 51.36 2gt3 s ALA 48 Cb -0.07 -1.18 0.47 0.00 0.00 0.00 0.00 23.12 22.34 2gt3 s ALA 48 CO -0.01 -1.15 1.15 -0.12 0.00 0.00 0.00 175.76 175.63 2gt3 n MET 49 N 5.04 1.91 0.00 0.00 1.56 -1.25 -2.52 117.12 121.86 2gt3 n MET 49 Ca -0.09 -3.39 0.00 0.00 -0.27 0.00 0.00 57.70 53.95 2gt3 n MET 49 Cb 0.47 -1.50 0.00 0.00 2.15 0.00 0.00 33.22 34.34 2gt3 n MET 49 CO 0.00 0.00 0.00 0.41 -0.73 0.00 0.00 175.97 175.65 2gt3 n GLY 50 N -0.49 1.55 3.28 -5.12 0.00 -1.24 -4.78 105.19 98.40 2gt3 n GLY 50 Ca 0.18 -0.47 -0.59 0.00 0.00 0.00 0.00 46.02 45.13 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 7.65 0.06 0.31 0.00 1.16 -1.26 -2.64 117.46 122.74 2gt3 n PHE 52 Ca 0.53 0.02 -0.16 0.00 -1.87 0.00 0.00 57.45 55.97 2gt3 n PHE 52 Cb -0.01 -0.39 -0.08 0.00 -1.61 0.00 0.00 39.48 37.38 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 0.00 -0.73 0.01 2.97 6.55 -1.90 0.15 115.95 123.00 2gt3 h TRP 53 Ca 0.00 -0.02 -0.09 0.00 0.95 0.00 0.00 58.89 59.74 2gt3 h TRP 53 Cb 0.52 0.24 0.01 0.00 -0.86 0.00 0.00 29.16 29.07 2gt3 h TRP 53 CO 0.00 -0.41 -0.34 0.78 -1.05 0.00 0.00 178.44 177.42 2gt3 h GLY 54 N -0.92 0.24 0.08 1.49 0.00 -1.84 -2.65 103.07 99.46 2gt3 h GLY 54 Ca -0.08 -0.44 0.03 0.00 0.00 0.00 0.00 47.33 46.84 2gt3 h GLY 54 CO 0.13 0.39 -0.48 -2.08 0.00 0.00 0.00 176.54 174.49 2gt3 h VAL 55 N -0.46 0.07 -0.74 4.60 2.07 -1.58 1.64 116.25 121.85 2gt3 h VAL 55 Ca -0.05 0.00 0.12 0.00 0.82 0.00 0.00 66.70 67.59 2gt3 h VAL 55 Cb 1.12 0.07 -0.05 0.00 -1.52 0.00 0.00 31.29 30.90 2gt3 h VAL 55 CO 0.07 0.00 0.49 1.05 0.02 0.00 0.00 177.57 179.20 2gt3 h GLU 56 N -0.64 0.53 -0.20 1.57 -0.00 -0.82 -0.66 114.58 114.38 2gt3 h GLU 56 Ca 0.03 -0.03 -0.11 0.00 -0.00 0.00 0.00 59.36 59.25 2gt3 h GLU 56 Cb 0.70 -0.12 -0.00 0.00 -0.00 0.00 0.00 28.75 29.33 2gt3 h GLU 56 CO -0.34 0.35 -0.31 -0.09 -0.00 0.00 0.00 179.01 178.63 2gt3 h ARG 57 N 0.55 0.56 0.07 1.06 2.43 -0.47 -0.93 114.38 117.65 2gt3 h ARG 57 Ca 0.35 -0.34 0.02 0.00 -0.81 0.00 0.00 59.98 59.21 2gt3 h ARG 57 Cb 0.61 0.03 -0.04 0.00 -0.42 0.00 0.00 29.97 30.16 2gt3 h ARG 57 CO -0.12 0.94 -0.30 1.25 -1.51 0.00 0.00 179.97 180.23 2gt3 h LEU 58 N 0.23 -0.87 -1.45 3.80 5.85 0.37 0.35 115.31 123.59 2gt3 h LEU 58 Ca 0.02 0.11 -0.02 0.00 0.84 0.00 0.00 57.88 58.82 2gt3 h LEU 58 Cb 0.89 0.34 -0.02 0.00 0.37 0.00 0.00 40.66 42.24 2gt3 h LEU 58 CO 0.07 -0.38 0.12 -0.26 -0.34 0.00 0.00 178.44 177.65 2gt3 h PHE 59 N -0.49 0.48 -0.70 1.25 0.04 -1.28 0.46 116.94 116.70 2gt3 h PHE 59 Ca 0.04 -0.02 -0.05 0.00 2.80 0.00 0.00 57.97 60.75 2gt3 h PHE 59 Cb 0.54 -0.15 -0.03 0.00 2.20 0.00 0.00 35.95 38.51 2gt3 h PHE 59 CO -0.29 0.40 0.25 2.35 -0.60 0.00 0.00 178.31 180.42 2gt3 h TRP 60 N 0.49 1.10 0.00 -0.55 2.91 0.14 -1.86 115.95 118.17 2gt3 h TRP 60 Ca 0.12 -0.10 -0.04 0.00 1.13 0.00 0.00 58.89 60.00 2gt3 h TRP 60 Cb 0.13 -0.32 -0.01 0.00 -0.51 0.00 0.00 29.16 28.45 2gt3 h TRP 60 CO 0.00 0.86 -0.21 1.96 -1.03 0.00 0.00 178.44 180.03 2gt3 h GLN 61 N 1.02 0.00 -6.77 2.65 1.08 0.69 -3.46 115.11 110.32 2gt3 h GLN 61 Ca 0.23 0.00 -0.54 0.00 -1.45 0.00 0.00 58.65 56.89 2gt3 h GLN 61 Cb 0.25 0.00 0.08 0.00 -0.05 0.00 0.00 27.48 27.77 2gt3 h GLN 61 CO -0.01 0.21 0.86 1.28 -0.95 0.00 0.00 178.83 180.22 2gt3 n LEU 62 N -3.17 4.22 -4.62 1.46 4.77 0.15 -4.90 117.00 114.91 2gt3 n LEU 62 Ca 0.03 1.14 -0.43 0.00 -0.03 0.00 0.00 56.01 56.72 2gt3 n LEU 62 Cb 0.59 -1.58 -0.02 0.00 -2.33 0.00 0.00 43.42 40.08 2gt3 n LEU 62 CO 0.36 0.09 1.18 -2.16 -1.33 0.00 0.00 177.39 175.53 2gt3 s PRO 63 N -0.44 3.80 0.00 3.23 0.04 -1.26 -2.67 135.00 137.70 2gt3 s PRO 63 Ca 0.65 1.18 0.00 0.00 0.04 0.00 0.00 61.00 62.87 2gt3 s PRO 63 Cb -0.51 -3.94 0.00 0.00 0.04 0.00 0.00 34.50 30.09 2gt3 s PRO 63 CO 0.48 -1.27 0.00 0.41 0.04 0.00 0.00 177.00 176.66 2gt3 n GLY 64 N 4.57 1.03 3.58 0.56 0.00 -1.26 -4.64 105.19 109.03 2gt3 n GLY 64 Ca 0.16 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.77 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 -1.67 5.06 0.05 1.61 1.01 -1.09 -2.60 120.40 122.77 2gt3 s VAL 65 Ca 0.00 0.52 -0.17 0.00 0.00 0.00 0.00 61.98 62.33 2gt3 s VAL 65 Cb 0.00 -3.88 -0.18 0.00 0.00 0.00 0.00 36.38 32.32 2gt3 s VAL 65 CO 0.00 -0.07 1.24 0.22 0.00 0.00 0.00 175.10 176.49 2gt3 h TYR 66 N 8.29 0.76 -1.90 5.22 3.20 0.19 -3.48 116.97 129.25 2gt3 h TYR 66 Ca -0.29 -0.34 0.19 0.00 3.14 0.00 0.00 58.73 61.44 2gt3 h TYR 66 Cb 1.14 -0.12 -0.16 0.00 1.54 0.00 0.00 36.73 39.13 2gt3 h TYR 66 CO 0.74 1.12 0.65 -1.12 -1.64 0.00 0.00 178.16 177.91 2gt3 s SER 67 N -6.74 -0.23 0.30 -2.11 0.01 -1.07 -4.91 113.70 98.94 2gt3 s SER 67 Ca -0.12 -0.06 0.04 0.00 1.31 0.00 0.00 55.95 57.12 2gt3 s SER 67 Cb 0.06 0.28 -0.06 0.00 0.21 0.00 0.00 66.02 66.51 2gt3 s SER 67 CO 0.84 -0.47 0.04 0.42 0.41 0.00 0.00 173.24 174.47 2gt3 s THR 68 N -2.80 1.16 0.02 1.44 -4.23 -1.26 0.42 115.64 110.38 2gt3 s THR 68 Ca 0.08 -2.02 -0.10 0.00 -1.18 0.00 0.00 61.69 58.48 2gt3 s THR 68 Cb -0.00 -2.66 0.01 0.00 1.34 0.00 0.00 72.50 71.19 2gt3 s THR 68 CO -0.06 -0.10 0.19 0.00 -0.54 0.00 0.00 174.62 174.12 2gt3 s ALA 69 N -3.33 -0.42 -0.07 3.99 0.00 0.12 -4.96 121.76 117.10 2gt3 s ALA 69 Ca 0.34 -0.12 0.00 0.00 0.00 0.00 0.00 51.96 52.18 2gt3 s ALA 69 Cb 0.08 0.18 -0.03 0.00 0.00 0.00 0.00 23.12 23.35 2gt3 s ALA 69 CO 0.14 -0.29 -0.07 0.00 0.00 0.00 0.00 175.76 175.54 2gt3 s ALA 70 N -1.92 2.99 0.02 0.00 0.00 -1.26 -0.96 121.76 120.62 2gt3 s ALA 70 Ca -0.10 -0.88 -0.03 0.00 0.00 0.00 0.00 51.96 50.95 2gt3 s ALA 70 Cb -0.04 -1.25 0.01 0.00 0.00 0.00 0.00 23.12 21.83 2gt3 s ALA 70 CO -0.00 0.55 0.13 0.41 0.00 0.00 0.00 175.76 176.84 2gt3 n GLY 71 N 2.31 1.11 3.15 0.00 0.00 -0.76 0.12 105.19 111.12 2gt3 n GLY 71 Ca -0.18 -0.93 -0.16 0.00 0.00 0.00 0.00 46.02 44.75 2gt3 n GLY 71 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2gt3 s TYR 72 N -5.08 1.08 0.07 1.61 2.02 -0.88 -2.59 117.35 113.59 2gt3 s TYR 72 Ca 0.03 -0.50 -0.27 0.00 -0.37 0.00 0.00 57.07 55.96 2gt3 s TYR 72 Cb -0.00 -0.61 0.08 0.00 -0.40 0.00 0.00 41.96 41.03 2gt3 s TYR 72 CO 0.01 0.02 0.92 -0.08 -1.57 0.00 0.00 175.55 174.84 2gt3 s THR 73 N -1.52 0.00 0.00 -0.71 -1.32 -0.74 -2.14 115.64 109.22 2gt3 s THR 73 Ca -0.02 -0.32 0.00 0.00 -1.21 0.00 0.00 61.69 60.14 2gt3 s THR 73 Cb -0.09 -1.48 0.00 0.00 -1.51 0.00 0.00 72.50 69.43 2gt3 s THR 73 CO 0.02 0.00 0.00 0.61 -2.21 0.00 0.00 174.62 173.04 2gt3 n GLY 74 N -0.36 2.37 3.58 6.08 0.00 -1.26 0.18 105.19 115.78 2gt3 n GLY 74 Ca -0.08 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.75 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 -0.57 1.36 0.05 -0.02 0.00 -1.20 -4.55 105.19 100.26 2gt3 n GLY 75 Ca 0.00 -2.13 -0.03 0.00 0.00 0.00 0.00 46.02 43.86 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 -2.43 0.00 -1.65 1.61 4.19 -1.09 -4.80 117.16 113.00 2gt3 n TYR 76 Ca 0.15 0.00 -0.53 0.00 3.31 0.00 0.00 57.90 60.83 2gt3 n TYR 76 Cb 0.55 -0.63 -0.06 0.00 0.49 0.00 0.00 39.34 39.69 2gt3 n TYR 76 CO 0.00 0.00 0.00 2.41 0.91 0.00 0.00 176.86 180.18 2gt3 n THR 77 N -2.41 0.38 -2.46 2.97 -1.04 -1.25 -4.89 114.28 105.58 2gt3 n THR 77 Ca -0.18 -0.11 -0.42 0.00 -2.04 0.00 0.00 64.05 61.30 2gt3 n THR 77 Cb 0.82 -1.53 -0.03 0.00 -1.82 0.00 0.00 70.33 67.77 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 4.26 4.47 -0.98 -2.82 0.04 -1.26 -3.72 135.00 134.99 2gt3 s PRO 78 Ca 0.99 1.73 -0.10 0.00 0.04 0.00 0.00 61.00 63.65 2gt3 s PRO 78 Cb -0.90 -3.34 -0.02 0.00 0.04 0.00 0.00 34.50 30.28 2gt3 s PRO 78 CO 0.58 -0.18 0.77 0.09 0.04 0.00 0.00 177.00 178.30 2gt3 n ASN 79 N 3.64 -6.16 -4.81 6.66 4.13 -1.26 -3.36 115.26 114.10 2gt3 n ASN 79 Ca 0.08 -0.72 -0.30 0.00 1.68 0.00 0.00 54.58 55.32 2gt3 n ASN 79 Cb 0.47 -4.01 0.08 0.00 -1.54 0.00 0.00 39.78 34.78 2gt3 n ASN 79 CO 0.00 0.00 0.00 -2.16 0.28 0.00 0.00 177.26 175.38 2gt3 s PRO 80 N -4.79 2.29 0.18 3.52 0.04 -1.24 -4.48 135.00 130.52 2gt3 s PRO 80 Ca 0.29 0.71 0.10 0.00 0.04 0.00 0.00 61.00 62.14 2gt3 s PRO 80 Cb -0.08 -1.94 -0.04 0.00 0.04 0.00 0.00 34.50 32.48 2gt3 s PRO 80 CO 0.81 -1.49 -0.21 0.95 0.04 0.00 0.00 177.00 177.10 2gt3 s THR 81 N -3.13 2.11 0.27 1.26 -4.23 -1.26 -5.02 115.64 105.64 2gt3 s THR 81 Ca 0.60 -1.99 0.00 0.00 -1.18 0.00 0.00 61.69 59.13 2gt3 s THR 81 Cb -0.14 -1.99 0.25 0.00 1.34 0.00 0.00 72.50 71.96 2gt3 s THR 81 CO 0.54 -0.22 1.75 0.22 -0.54 0.00 0.00 174.62 176.37 2gt3 h TYR 82 N 3.20 0.76 -0.12 3.99 3.20 -1.98 0.20 116.97 126.21 2gt3 h TYR 82 Ca -0.44 0.04 -0.01 0.00 3.14 0.00 0.00 58.73 61.46 2gt3 h TYR 82 Cb 1.21 -0.20 -0.01 0.00 1.54 0.00 0.00 36.73 39.27 2gt3 h TYR 82 CO 0.69 0.14 0.04 -0.09 -1.64 0.00 0.00 178.16 177.30 2gt3 h ARG 83 N 0.58 0.18 -0.16 1.82 2.43 -1.98 0.12 114.38 117.38 2gt3 h ARG 83 Ca 0.49 -0.04 0.03 0.00 -0.81 0.00 0.00 59.98 59.65 2gt3 h ARG 83 Cb 0.75 -0.03 -0.03 0.00 -0.42 0.00 0.00 29.97 30.24 2gt3 h ARG 83 CO -0.40 0.31 -0.03 0.93 -1.51 0.00 0.00 179.97 179.26 2gt3 h GLU 84 N 0.02 0.01 -0.43 0.20 5.08 -1.56 -1.75 114.58 116.16 2gt3 h GLU 84 Ca 0.04 -0.00 0.02 0.00 -1.00 0.00 0.00 59.36 58.42 2gt3 h GLU 84 Cb 0.20 -0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.42 2gt3 h GLU 84 CO -0.00 0.00 0.25 0.28 -1.00 0.00 0.00 179.01 178.54 2gt3 h VAL 85 N 0.01 1.05 -1.00 3.13 2.07 -0.57 0.28 116.25 121.21 2gt3 h VAL 85 Ca 0.08 -0.17 0.27 0.00 0.82 0.00 0.00 66.70 67.69 2gt3 h VAL 85 Cb 0.11 0.49 -0.06 0.00 -1.52 0.00 0.00 31.29 30.31 2gt3 h VAL 85 CO -0.16 0.09 0.69 0.00 0.02 0.00 0.00 177.57 178.21 2gt3 h SER 87 N 0.20 -0.00 0.00 0.00 0.87 -0.11 -3.48 113.55 111.03 2gt3 h SER 87 Ca 0.52 -0.50 0.00 0.00 -1.23 0.00 0.00 61.79 60.58 2gt3 h SER 87 Cb 1.66 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.62 2gt3 h SER 87 CO -0.13 0.50 0.00 0.61 -0.53 0.00 0.00 176.83 177.28 2gt3 n GLY 88 N 0.25 0.99 1.72 5.77 0.00 0.88 -4.97 105.19 109.84 2gt3 n GLY 88 Ca -0.08 -0.01 0.09 0.00 0.00 0.00 0.00 46.02 46.01 2gt3 n GLY 88 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2gt3 n ASP 89 N 0.02 5.15 -0.02 1.61 9.92 -1.25 -4.14 116.55 127.84 2gt3 n ASP 89 Ca 0.00 -2.61 -0.02 0.00 -0.53 0.00 0.00 54.79 51.63 2gt3 n ASP 89 Cb 0.00 -0.62 -0.02 0.00 -0.64 0.00 0.00 41.12 39.83 2gt3 n ASP 89 CO 0.00 0.00 0.00 0.35 0.13 0.00 0.00 177.20 177.68 2gt3 n THR 90 N 1.00 0.23 0.00 -3.53 -2.24 -1.26 -0.92 114.28 107.56 2gt3 n THR 90 Ca 0.27 -0.12 0.00 0.00 -2.27 0.00 0.00 64.05 61.93 2gt3 n THR 90 Cb 1.00 -0.78 0.00 0.00 -2.10 0.00 0.00 70.33 68.45 2gt3 n THR 90 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2gt3 n GLY 91 N 3.05 1.73 3.76 3.38 0.00 -1.26 -2.66 105.19 113.18 2gt3 n GLY 91 Ca -0.06 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.58 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 -2.50 2.52 0.38 1.61 3.76 -1.26 -3.28 115.29 116.52 2gt3 s HIS 92 Ca 0.00 1.46 0.08 0.00 -0.15 0.00 0.00 55.06 56.45 2gt3 s HIS 92 Cb 0.00 -3.59 -0.07 0.00 1.11 0.00 0.00 32.58 30.03 2gt3 s HIS 92 CO 0.00 -2.27 -0.03 0.00 -0.85 0.00 0.00 174.74 171.59 2gt3 s ALA 93 N -1.44 3.09 -0.16 -1.40 0.00 0.49 -4.60 121.76 117.75 2gt3 s ALA 93 Ca 0.70 -2.22 -0.29 0.00 0.00 0.00 0.00 51.96 50.14 2gt3 s ALA 93 Cb -0.34 0.08 -0.02 0.00 0.00 0.00 0.00 23.12 22.83 2gt3 s ALA 93 CO 0.40 -0.04 1.37 -1.21 0.00 0.00 0.00 175.76 176.28 2gt3 s GLU 94 N -3.67 4.16 0.03 0.00 2.02 -0.25 -1.79 118.70 119.20 2gt3 s GLU 94 Ca 0.34 1.74 -0.01 0.00 0.02 0.00 0.00 54.97 57.06 2gt3 s GLU 94 Cb 0.07 -3.84 -0.02 0.00 0.10 0.00 0.00 34.13 30.44 2gt3 s GLU 94 CO 0.17 -0.81 -0.00 0.00 0.02 0.00 0.00 175.26 174.64 2gt3 s ALA 95 N 3.81 0.17 -0.03 5.21 0.00 -1.07 -3.86 121.76 125.99 2gt3 s ALA 95 Ca 0.60 -0.72 -0.04 0.00 0.00 0.00 0.00 51.96 51.80 2gt3 s ALA 95 Cb -0.24 0.19 0.01 0.00 0.00 0.00 0.00 23.12 23.08 2gt3 s ALA 95 CO 0.19 -0.24 0.10 0.14 0.00 0.00 0.00 175.76 175.96 2gt3 s VAL 96 N -2.24 0.01 -0.08 0.00 -7.23 0.22 -1.82 120.40 109.26 2gt3 s VAL 96 Ca -0.09 -0.11 -0.20 0.00 -1.81 0.00 0.00 61.98 59.78 2gt3 s VAL 96 Cb -0.04 -0.19 -0.04 0.00 0.56 0.00 0.00 36.38 36.67 2gt3 s VAL 96 CO -0.04 -0.06 0.56 -0.13 -0.31 0.00 0.00 175.10 175.12 2gt3 s ARG 97 N -0.15 4.36 -0.17 4.82 0.52 -0.13 -1.20 118.95 127.00 2gt3 s ARG 97 Ca -0.02 0.61 0.00 0.00 -0.52 0.00 0.00 55.73 55.80 2gt3 s ARG 97 Cb -0.02 -3.42 0.00 0.00 0.52 0.00 0.00 34.95 32.03 2gt3 s ARG 97 CO 0.00 0.17 -0.15 0.42 0.02 0.00 0.00 175.30 175.76 2gt3 s ILE 98 N 0.53 2.60 -0.34 1.52 1.09 0.38 0.16 121.20 127.13 2gt3 s ILE 98 Ca 0.30 -0.78 -0.12 0.00 -1.10 0.00 0.00 60.65 58.95 2gt3 s ILE 98 Cb -0.16 -2.11 -0.01 0.00 -1.06 0.00 0.00 42.46 39.12 2gt3 s ILE 98 CO 0.14 0.51 0.22 -0.69 -0.10 0.00 0.00 174.94 175.02 2gt3 s VAL 99 N 0.98 5.08 0.17 2.92 1.01 0.17 0.19 120.40 130.91 2gt3 s VAL 99 Ca -0.02 -0.35 0.04 0.00 0.00 0.00 0.00 61.98 61.66 2gt3 s VAL 99 Cb -0.15 -3.64 -0.05 0.00 0.00 0.00 0.00 36.38 32.55 2gt3 s VAL 99 CO -0.03 -0.03 -0.08 -0.72 0.00 0.00 0.00 175.10 174.24 2gt3 s TYR 100 N 1.68 1.36 -0.10 5.22 1.13 0.70 0.20 117.35 127.54 2gt3 s TYR 100 Ca 0.05 -0.79 -0.01 0.00 -1.41 0.00 0.00 57.07 54.92 2gt3 s TYR 100 Cb -0.18 -0.71 -0.03 0.00 -1.10 0.00 0.00 41.96 39.94 2gt3 s TYR 100 CO 0.09 0.07 -0.04 0.34 -2.51 0.00 0.00 175.55 173.50 2gt3 s ASP 101 N -3.21 4.84 0.00 -0.18 -1.08 -1.07 -1.05 116.67 114.92 2gt3 s ASP 101 Ca 0.20 -0.01 0.22 0.00 -0.52 0.00 0.00 52.55 52.44 2gt3 s ASP 101 Cb 0.03 -1.43 1.04 0.00 -1.46 0.00 0.00 42.92 41.10 2gt3 s ASP 101 CO 0.03 0.31 1.72 -0.81 0.52 0.00 0.00 175.17 176.94 2gt3 n PRO 102 N 2.59 0.17 0.06 4.34 -0.04 -1.23 -0.50 135.00 140.40 2gt3 n PRO 102 Ca -0.18 0.10 0.12 0.00 -0.04 0.00 0.00 63.50 63.50 2gt3 n PRO 102 Cb 0.53 -1.50 0.19 0.00 -0.04 0.00 0.00 33.50 32.68 2gt3 n PRO 102 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 2gt3 n SER 103 N -1.39 0.68 0.01 3.54 2.88 -1.26 -4.51 113.62 113.57 2gt3 n SER 103 Ca 0.08 0.12 -0.02 0.00 -1.33 0.00 0.00 58.87 57.73 2gt3 n SER 103 Cb 0.22 0.11 -0.01 0.00 -0.75 0.00 0.00 64.21 63.78 2gt3 n SER 103 CO 0.00 0.00 0.00 0.52 -1.23 0.00 0.00 175.04 174.33 2gt3 n VAL 104 N -2.06 0.93 -4.19 2.46 0.31 -0.93 -5.08 118.33 109.76 2gt3 n VAL 104 Ca 0.04 0.28 -0.24 0.00 -0.01 0.00 0.00 64.34 64.41 2gt3 n VAL 104 Cb 0.43 -1.59 -0.07 0.00 -0.91 0.00 0.00 33.84 31.70 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 -1.87 2.81 0.37 2.52 2.07 0.35 -4.95 121.20 122.51 2gt3 s ILE 105 Ca -0.05 -1.79 0.08 0.00 -1.41 0.00 0.00 60.65 57.48 2gt3 s ILE 105 Cb 0.01 -2.92 -0.05 0.00 0.13 0.00 0.00 42.46 39.63 2gt3 s ILE 105 CO 0.08 -0.17 0.11 -0.94 -1.91 0.00 0.00 174.94 172.10 2gt3 s SER 106 N -3.81 4.36 0.12 4.50 1.04 -1.26 -3.48 113.70 115.18 2gt3 s SER 106 Ca 0.37 -1.01 -0.12 0.00 0.48 0.00 0.00 55.95 55.67 2gt3 s SER 106 Cb -0.01 -0.54 -0.07 0.00 0.10 0.00 0.00 66.02 65.50 2gt3 s SER 106 CO 0.21 -0.39 1.43 0.10 0.98 0.00 0.00 173.24 175.57 2gt3 h TYR 107 N 1.60 1.06 -0.35 5.02 -0.00 -1.97 -2.98 116.97 119.36 2gt3 h TYR 107 Ca -0.43 -0.35 -0.03 0.00 0.00 0.00 0.00 58.73 57.92 2gt3 h TYR 107 Cb 1.25 -0.21 -0.02 0.00 0.00 0.00 0.00 36.73 37.75 2gt3 h TYR 107 CO 0.66 1.17 0.11 1.05 -0.00 0.00 0.00 178.16 181.14 2gt3 h GLU 108 N 0.66 0.51 -0.46 0.10 4.11 -1.94 -1.81 114.58 115.75 2gt3 h GLU 108 Ca 0.04 -0.07 -0.02 0.00 0.07 0.00 0.00 59.36 59.38 2gt3 h GLU 108 Cb 1.04 -0.09 -0.02 0.00 0.50 0.00 0.00 28.75 30.18 2gt3 h GLU 108 CO 0.10 0.46 0.23 1.96 0.07 0.00 0.00 179.01 181.83 2gt3 h GLN 109 N 0.50 0.66 -0.14 1.06 4.20 -1.94 0.29 115.11 119.74 2gt3 h GLN 109 Ca 0.12 -0.09 -0.00 0.00 0.06 0.00 0.00 58.65 58.73 2gt3 h GLN 109 Cb 0.16 -0.12 -0.01 0.00 0.30 0.00 0.00 27.48 27.82 2gt3 h GLN 109 CO -0.01 0.55 0.07 -0.07 -0.67 0.00 0.00 178.83 178.71 2gt3 h LEU 110 N 0.60 0.18 -0.56 1.46 3.38 -1.28 0.18 115.31 119.26 2gt3 h LEU 110 Ca 0.16 -0.10 0.08 0.00 0.09 0.00 0.00 57.88 58.11 2gt3 h LEU 110 Cb 0.10 -0.05 -0.06 0.00 0.09 0.00 0.00 40.66 40.75 2gt3 h LEU 110 CO -0.02 0.23 0.23 -0.07 0.09 0.00 0.00 178.44 178.89 2gt3 h LEU 111 N 0.12 0.25 -1.15 1.67 3.38 -1.09 0.35 115.31 118.84 2gt3 h LEU 111 Ca 0.05 0.06 -0.01 0.00 0.09 0.00 0.00 57.88 58.07 2gt3 h LEU 111 Cb 0.09 0.03 -0.04 0.00 0.09 0.00 0.00 40.66 40.84 2gt3 h LEU 111 CO -0.01 0.16 0.42 1.56 0.09 0.00 0.00 178.44 180.67 2gt3 h GLN 112 N 0.42 1.01 -0.77 1.13 7.50 -0.53 -1.53 115.11 122.34 2gt3 h GLN 112 Ca 0.27 -0.10 -0.03 0.00 0.50 0.00 0.00 58.65 59.29 2gt3 h GLN 112 Cb 0.30 -0.21 -0.04 0.00 0.05 0.00 0.00 27.48 27.58 2gt3 h GLN 112 CO -0.26 0.72 0.35 0.28 -1.50 0.00 0.00 178.83 178.42 2gt3 h VAL 113 N 1.02 1.25 -0.81 -0.54 2.07 0.99 1.52 116.25 121.75 2gt3 h VAL 113 Ca 0.26 -0.72 -0.01 0.00 0.82 0.00 0.00 66.70 67.05 2gt3 h VAL 113 Cb -0.01 0.28 -0.04 0.00 -1.52 0.00 0.00 31.29 30.00 2gt3 h VAL 113 CO -0.05 0.30 0.45 0.15 0.02 0.00 0.00 177.57 178.44 2gt3 h PHE 114 N 1.11 1.09 0.00 1.57 3.57 -0.07 1.50 116.94 125.71 2gt3 h PHE 114 Ca 0.26 -0.02 -0.06 0.00 3.53 0.00 0.00 57.97 61.69 2gt3 h PHE 114 Cb 0.14 -0.35 -0.01 0.00 2.79 0.00 0.00 35.95 38.52 2gt3 h PHE 114 CO 0.01 0.75 -0.81 -1.49 -2.23 0.00 0.00 178.31 174.55 2gt3 h TRP 115 N 1.12 0.00 -0.06 0.41 -0.00 -0.88 -1.90 115.95 114.64 2gt3 h TRP 115 Ca 0.29 0.00 0.00 0.00 -0.00 0.00 0.00 58.89 59.18 2gt3 h TRP 115 Cb 0.02 0.00 0.00 0.00 -0.00 0.00 0.00 29.16 29.18 2gt3 h TRP 115 CO 0.01 0.22 0.00 0.39 -0.00 0.00 0.00 178.44 179.06 2gt3 n GLU 116 N -2.91 1.87 -0.06 0.49 1.02 0.51 -4.18 120.64 117.39 2gt3 n GLU 116 Ca -0.01 -1.28 -0.12 0.00 -0.02 0.00 0.00 57.16 55.73 2gt3 n GLU 116 Cb 0.65 -1.46 -0.05 0.00 -0.02 0.00 0.00 31.44 30.56 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 0.54 1.37 -4.11 1.62 2.85 0.50 -4.92 115.26 113.12 2gt3 n ASN 117 Ca 0.17 0.10 -0.10 0.00 -0.11 0.00 0.00 54.58 54.64 2gt3 n ASN 117 Cb 0.42 -0.32 -0.09 0.00 1.24 0.00 0.00 39.78 41.03 2gt3 n ASN 117 CO 0.00 0.00 0.00 -2.28 -2.11 0.00 0.00 177.26 172.87 2gt3 s HIS 118 N -2.22 0.80 -0.19 1.20 2.46 -0.72 -4.47 115.29 112.16 2gt3 s HIS 118 Ca -0.17 -1.13 -0.22 0.00 0.47 0.00 0.00 55.06 54.02 2gt3 s HIS 118 Cb 0.06 -0.35 -0.02 0.00 -0.13 0.00 0.00 32.58 32.14 2gt3 s HIS 118 CO 0.23 -0.64 0.68 -0.51 -2.47 0.00 0.00 174.74 172.02 2gt3 s ASP 119 N -3.06 6.76 0.00 9.88 1.11 -1.26 -4.02 116.67 126.08 2gt3 s ASP 119 Ca 0.27 0.92 0.21 0.00 0.18 0.00 0.00 52.55 54.13 2gt3 s ASP 119 Cb 0.06 -2.38 1.23 0.00 1.07 0.00 0.00 42.92 42.90 2gt3 s ASP 119 CO 0.05 -0.30 1.65 -0.81 1.18 0.00 0.00 175.17 176.94 2gt3 n PRO 120 N 5.07 0.75 -2.20 8.23 -0.04 -1.26 -3.33 135.00 142.21 2gt3 n PRO 120 Ca 0.00 0.00 -0.34 0.00 -0.04 0.00 0.00 63.50 63.12 2gt3 n PRO 120 Cb 0.49 -1.43 0.02 0.00 -0.04 0.00 0.00 33.50 32.55 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 -0.93 5.84 0.66 0.55 0.00 -1.26 -1.88 120.51 123.48 2gt3 n ALA 121 Ca 0.15 -4.23 0.07 0.00 0.00 0.00 0.00 53.44 49.43 2gt3 n ALA 121 Cb 0.07 -1.32 -0.02 0.00 0.00 0.00 0.00 19.45 18.18 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 -0.50 1.88 0.00 0.00 7.27 -1.21 -4.83 117.38 119.99 2gt3 n GLN 122 Ca 0.47 -0.62 0.00 0.00 0.07 0.00 0.00 57.00 56.91 2gt3 n GLN 122 Cb 0.43 -1.22 0.00 0.00 2.41 0.00 0.00 30.24 31.86 2gt3 n GLN 122 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 2gt3 n GLY 123 N 1.14 2.11 1.92 1.69 0.00 -1.26 -2.67 105.19 108.12 2gt3 n GLY 123 Ca 0.05 -0.51 -0.12 0.00 0.00 0.00 0.00 46.02 45.44 2gt3 n GLY 123 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 173.32 174.47 2gt3 n MET 124 N 9.87 1.73 -3.82 1.61 -0.00 -1.26 -4.15 117.12 121.10 2gt3 n MET 124 Ca 0.00 -1.10 -0.10 0.00 -0.00 0.00 0.00 57.70 56.50 2gt3 n MET 124 Cb 0.00 -1.64 -0.08 0.00 -0.00 0.00 0.00 33.22 31.51 2gt3 n MET 124 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 175.97 177.00 2gt3 s ARG 125 N -0.51 0.79 -0.16 3.17 3.00 -0.81 -2.34 118.95 122.10 2gt3 s ARG 125 Ca 0.37 -0.72 -0.05 0.00 0.00 0.00 0.00 55.73 55.33 2gt3 s ARG 125 Cb 0.22 0.33 0.06 0.00 0.00 0.00 0.00 34.95 35.56 2gt3 s ARG 125 CO -0.04 -0.25 0.09 -1.14 0.00 0.00 0.00 175.30 173.95 2gt3 s GLN 126 N -3.07 0.06 6.22 3.54 2.00 0.12 -4.55 119.66 123.97 2gt3 s GLN 126 Ca -0.01 -0.04 0.00 0.00 -2.00 0.00 0.00 55.36 53.30 2gt3 s GLN 126 Cb 0.01 -1.72 0.00 0.00 0.80 0.00 0.00 33.01 32.10 2gt3 s GLN 126 CO -0.07 -0.64 0.00 0.41 -0.50 0.00 0.00 175.29 174.49 2gt3 n GLY 127 N 5.28 2.70 1.39 2.59 0.00 -1.26 0.50 105.19 116.38 2gt3 n GLY 127 Ca -0.07 0.31 0.08 0.00 0.00 0.00 0.00 46.02 46.35 2gt3 n GLY 127 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 2gt3 n ASN 128 N 9.78 4.57 -4.60 1.61 0.23 -1.26 -4.93 115.26 120.66 2gt3 n ASN 128 Ca 0.00 -2.61 -0.32 0.00 -0.53 0.00 0.00 54.58 51.12 2gt3 n ASN 128 Cb 0.00 -0.55 -0.10 0.00 -2.08 0.00 0.00 39.78 37.04 2gt3 n ASN 128 CO 0.00 0.00 0.00 -1.81 -0.93 0.00 0.00 177.26 174.52 2gt3 s ASP 129 N -1.12 4.63 0.08 0.53 1.11 0.18 -5.12 116.67 116.98 2gt3 s ASP 129 Ca 0.47 -0.14 0.10 0.00 0.18 0.00 0.00 52.55 53.16 2gt3 s ASP 129 Cb 0.32 -1.08 -0.03 0.00 1.07 0.00 0.00 42.92 43.20 2gt3 s ASP 129 CO 0.19 0.28 -0.27 -1.00 1.18 0.00 0.00 175.17 175.55 2gt3 s HIS 130 N -1.00 2.31 0.00 4.23 3.76 -1.26 -0.70 115.29 122.63 2gt3 s HIS 130 Ca 0.17 -0.40 0.00 0.00 -0.15 0.00 0.00 55.06 54.68 2gt3 s HIS 130 Cb -0.11 -1.32 0.00 0.00 1.11 0.00 0.00 32.58 32.25 2gt3 s HIS 130 CO 0.07 0.22 0.00 0.41 -0.85 0.00 0.00 174.74 174.60 2gt3 n GLY 131 N 1.38 4.24 0.00 -2.22 0.00 -0.99 -4.92 105.19 102.68 2gt3 n GLY 131 Ca -0.17 -0.94 0.09 0.00 0.00 0.00 0.00 46.02 45.00 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 -1.59 0.45 1.27 2.61 -1.04 -1.25 -1.74 114.28 112.99 2gt3 n THR 132 Ca 0.00 0.11 0.13 0.00 -2.04 0.00 0.00 64.05 62.25 2gt3 n THR 132 Cb 0.00 -0.79 0.36 0.00 -1.82 0.00 0.00 70.33 68.08 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 -1.31 1.17 -2.55 -2.82 3.00 -1.26 -4.20 117.38 109.41 2gt3 n GLN 133 Ca 0.09 -0.74 -0.31 0.00 -0.01 0.00 0.00 57.00 56.03 2gt3 n GLN 133 Cb 0.16 -1.48 -0.00 0.00 0.00 0.00 0.00 30.24 28.91 2gt3 n GLN 133 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.06 177.72 2gt3 n TYR 134 N -0.27 3.46 -3.90 1.08 4.01 -0.71 -1.09 117.16 119.74 2gt3 n TYR 134 Ca 0.14 -3.18 -0.27 0.00 -0.16 0.00 0.00 57.90 54.43 2gt3 n TYR 134 Cb 0.37 -0.54 -0.00 0.00 -0.31 0.00 0.00 39.34 38.86 2gt3 n TYR 134 CO 0.00 0.00 0.00 -0.98 -0.46 0.00 0.00 176.86 175.42 2gt3 s ARG 135 N -3.72 2.24 -0.20 -0.72 1.70 -1.26 -1.92 118.95 115.08 2gt3 s ARG 135 Ca 0.48 -2.05 -0.02 0.00 -0.47 0.00 0.00 55.73 53.66 2gt3 s ARG 135 Cb 0.34 -2.08 -0.00 0.00 -0.57 0.00 0.00 34.95 32.63 2gt3 s ARG 135 CO -0.21 -0.66 -0.09 -1.12 -1.08 0.00 0.00 175.30 172.15 2gt3 s SER 136 N -4.30 4.04 -0.09 -2.89 0.01 -1.25 -3.65 113.70 105.56 2gt3 s SER 136 Ca 0.33 -0.42 -0.17 0.00 1.31 0.00 0.00 55.95 56.99 2gt3 s SER 136 Cb -0.02 -1.67 0.04 0.00 0.21 0.00 0.00 66.02 64.58 2gt3 s SER 136 CO 0.21 0.02 0.42 0.00 0.41 0.00 0.00 173.24 174.30 2gt3 s ALA 137 N 1.22 -1.07 -0.05 1.44 0.00 -1.05 -2.27 121.76 119.98 2gt3 s ALA 137 Ca 0.02 0.89 0.04 0.00 0.00 0.00 0.00 51.96 52.91 2gt3 s ALA 137 Cb -0.14 -0.30 -0.02 0.00 0.00 0.00 0.00 23.12 22.66 2gt3 s ALA 137 CO -0.03 -0.25 -0.16 0.42 0.00 0.00 0.00 175.76 175.73 2gt3 s ILE 138 N -0.60 2.86 -0.49 0.00 1.01 -0.92 -1.81 121.20 121.25 2gt3 s ILE 138 Ca -0.07 -0.79 0.03 0.00 0.00 0.00 0.00 60.65 59.82 2gt3 s ILE 138 Cb -0.03 -2.11 0.16 0.00 0.01 0.00 0.00 42.46 40.48 2gt3 s ILE 138 CO 0.03 0.58 0.34 -0.31 0.00 0.00 0.00 174.94 175.59 2gt3 s TYR 139 N -0.56 1.94 0.83 3.97 2.02 -0.09 -2.65 117.35 122.79 2gt3 s TYR 139 Ca 0.08 -2.56 -0.12 0.00 -0.37 0.00 0.00 57.07 54.10 2gt3 s TYR 139 Cb -0.11 -1.64 0.09 0.00 -0.40 0.00 0.00 41.96 39.90 2gt3 s TYR 139 CO 0.01 -0.74 1.11 -1.25 -1.57 0.00 0.00 175.55 173.11 2gt3 s PRO 140 N -0.18 1.84 -0.03 -1.71 0.04 -1.26 -2.61 135.00 131.10 2gt3 s PRO 140 Ca 0.26 0.55 0.09 0.00 0.04 0.00 0.00 61.00 61.93 2gt3 s PRO 140 Cb -0.08 -1.90 -0.13 0.00 0.04 0.00 0.00 34.50 32.43 2gt3 s PRO 140 CO -0.12 -1.77 0.16 1.28 0.04 0.00 0.00 177.00 176.59 2gt3 n LEU 141 N -3.52 0.00 -4.77 -3.56 7.99 -1.26 -3.58 117.00 108.29 2gt3 n LEU 141 Ca 0.07 0.00 -0.22 0.00 -0.01 0.00 0.00 56.01 55.85 2gt3 n LEU 141 Cb 0.57 0.04 -0.05 0.00 -0.11 0.00 0.00 43.42 43.87 2gt3 n LEU 141 CO 0.57 0.04 -0.20 0.42 -1.51 0.00 0.00 177.39 176.70 2gt3 s THR 142 N -2.53 4.01 0.09 -5.08 -4.23 -1.26 -5.02 115.64 101.62 2gt3 s THR 142 Ca -0.03 -1.55 0.16 0.00 -1.18 0.00 0.00 61.69 59.08 2gt3 s THR 142 Cb 0.05 -3.21 0.07 0.00 1.34 0.00 0.00 72.50 70.75 2gt3 s THR 142 CO 0.36 -0.33 1.60 1.55 -0.54 0.00 0.00 174.62 177.26 2gt3 h PRO 143 N 1.57 0.00 -0.01 3.99 0.13 -2.00 -2.88 132.00 132.81 2gt3 h PRO 143 Ca -0.47 0.00 -0.23 0.00 -0.87 0.00 0.00 66.00 64.43 2gt3 h PRO 143 Cb 1.24 0.00 0.01 0.00 0.13 0.00 0.00 31.00 32.38 2gt3 h PRO 143 CO 0.61 0.49 -0.94 0.93 -0.23 0.00 0.00 178.00 178.85 2gt3 h GLU 144 N 0.00 0.48 -0.51 0.86 5.08 -1.99 -2.64 114.58 115.87 2gt3 h GLU 144 Ca -0.00 -0.51 -0.08 0.00 -1.00 0.00 0.00 59.36 57.77 2gt3 h GLU 144 Cb 1.13 0.14 -0.02 0.00 0.50 0.00 0.00 28.75 30.50 2gt3 h GLU 144 CO 0.06 1.15 -0.01 0.37 -1.00 0.00 0.00 179.01 179.58 2gt3 h GLN 145 N 0.28 0.87 0.04 2.33 4.15 -1.96 0.19 115.11 121.01 2gt3 h GLN 145 Ca -0.09 -0.25 -0.00 0.00 0.77 0.00 0.00 58.65 59.08 2gt3 h GLN 145 Cb 1.58 -0.09 0.00 0.00 0.21 0.00 0.00 27.48 29.18 2gt3 h GLN 145 CO 0.17 0.87 -0.02 0.22 -1.93 0.00 0.00 178.83 178.14 2gt3 h ASP 146 N 0.80 -0.04 -0.74 -0.69 1.82 -1.50 0.92 116.42 116.99 2gt3 h ASP 146 Ca 0.15 -0.24 0.03 0.00 -0.39 0.00 0.00 57.03 56.58 2gt3 h ASP 146 Cb 0.49 0.01 -0.04 0.00 0.68 0.00 0.00 39.33 40.47 2gt3 h ASP 146 CO 0.02 0.22 0.49 0.00 -1.61 0.00 0.00 179.24 178.36 2gt3 h ALA 147 N 0.65 1.56 -0.05 -0.78 0.00 -1.31 0.59 119.26 119.92 2gt3 h ALA 147 Ca -0.00 -0.04 -0.19 0.00 0.00 0.00 0.00 54.91 54.68 2gt3 h ALA 147 Cb 0.28 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.80 2gt3 h ALA 147 CO 0.01 0.37 -0.78 0.00 0.00 0.00 0.00 179.25 178.85 2gt3 h ALA 148 N 1.57 0.58 0.30 0.00 0.00 -0.64 0.20 119.26 121.26 2gt3 h ALA 148 Ca 0.29 -0.64 -0.01 0.00 0.00 0.00 0.00 54.91 54.55 2gt3 h ALA 148 Cb 0.03 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.77 2gt3 h ALA 148 CO -0.08 0.80 -0.14 0.00 0.00 0.00 0.00 179.25 179.83 2gt3 h ALA 149 N 0.95 -0.40 -0.01 0.00 0.00 0.25 0.18 119.26 120.23 2gt3 h ALA 149 Ca -0.04 -0.19 -0.06 0.00 0.00 0.00 0.00 54.91 54.62 2gt3 h ALA 149 Cb 1.36 0.15 -0.01 0.00 0.00 0.00 0.00 17.79 19.30 2gt3 h ALA 149 CO 0.13 -0.53 -0.29 0.07 0.00 0.00 0.00 179.25 178.63 2gt3 h ARG 150 N -0.79 0.02 -0.10 0.00 0.11 0.05 -0.10 114.38 113.57 2gt3 h ARG 150 Ca -0.04 -0.01 -0.15 0.00 0.10 0.00 0.00 59.98 59.88 2gt3 h ARG 150 Cb 0.51 -0.00 -0.01 0.00 1.11 0.00 0.00 29.97 31.58 2gt3 h ARG 150 CO 0.07 0.31 -0.60 0.00 0.10 0.00 0.00 179.97 179.85 2gt3 h ALA 151 N 1.69 0.79 0.00 0.08 0.00 -0.52 -2.55 119.26 118.75 2gt3 h ALA 151 Ca 0.00 -0.54 -0.10 0.00 0.00 0.00 0.00 54.91 54.27 2gt3 h ALA 151 Cb 0.53 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.22 2gt3 h ALA 151 CO 0.04 0.72 -0.50 0.66 0.00 0.00 0.00 179.25 180.17 2gt3 h SER 152 N 0.26 0.00 -0.03 0.00 4.64 0.10 -2.10 113.55 116.41 2gt3 h SER 152 Ca -0.00 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.31 2gt3 h SER 152 Cb 1.12 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.21 2gt3 h SER 152 CO 0.10 0.50 -0.01 0.25 -0.87 0.00 0.00 176.83 176.80 2gt3 h LEU 153 N 0.00 0.07 -0.76 5.97 6.46 -0.78 -1.96 115.31 124.31 2gt3 h LEU 153 Ca -0.00 -0.36 -0.11 0.00 -0.12 0.00 0.00 57.88 57.28 2gt3 h LEU 153 Cb 1.26 -0.02 -0.01 0.00 -0.73 0.00 0.00 40.66 41.16 2gt3 h LEU 153 CO 0.06 0.41 -0.23 1.05 -0.62 0.00 0.00 178.44 179.12 2gt3 h GLU 154 N -0.28 0.70 -0.80 1.25 4.11 -1.49 -1.91 114.58 116.15 2gt3 h GLU 154 Ca 0.01 -0.27 0.05 0.00 0.07 0.00 0.00 59.36 59.22 2gt3 h GLU 154 Cb 0.38 -0.04 -0.06 0.00 0.50 0.00 0.00 28.75 29.54 2gt3 h GLU 154 CO 0.00 0.86 0.50 0.00 0.07 0.00 0.00 179.01 180.44 2gt3 h ARG 155 N 0.61 0.90 -0.16 1.06 2.47 -1.28 -1.64 114.38 116.33 2gt3 h ARG 155 Ca 0.09 -0.05 -0.16 0.00 -1.26 0.00 0.00 59.98 58.59 2gt3 h ARG 155 Cb 0.71 -0.20 -0.01 0.00 -1.65 0.00 0.00 29.97 28.82 2gt3 h ARG 155 CO 0.05 0.59 -0.57 0.35 0.56 0.00 0.00 179.97 180.96 2gt3 h PHE 156 N 0.92 0.63 -0.74 3.04 3.57 -1.12 -1.12 116.94 122.12 2gt3 h PHE 156 Ca 0.34 -0.23 0.13 0.00 3.53 0.00 0.00 57.97 61.75 2gt3 h PHE 156 Cb 0.13 -0.12 -0.09 0.00 2.79 0.00 0.00 35.95 38.66 2gt3 h PHE 156 CO -0.04 0.95 0.31 0.37 -2.23 0.00 0.00 178.31 177.67 2gt3 h GLN 157 N 0.38 0.46 0.11 1.11 4.15 -0.49 0.26 115.11 121.09 2gt3 h GLN 157 Ca 0.00 -0.03 -0.27 0.00 0.77 0.00 0.00 58.65 59.13 2gt3 h GLN 157 Cb 1.11 -0.10 -0.00 0.00 0.21 0.00 0.00 27.48 28.69 2gt3 h GLN 157 CO 0.10 0.30 -1.23 0.00 -1.93 0.00 0.00 178.83 176.08 2gt3 h ALA 158 N 1.52 0.15 0.18 3.38 0.00 -1.41 -2.62 119.26 120.46 2gt3 h ALA 158 Ca 0.40 -0.91 0.01 0.00 0.00 0.00 0.00 54.91 54.41 2gt3 h ALA 158 Cb 0.57 0.00 -0.04 0.00 0.00 0.00 0.00 17.79 18.32 2gt3 h ALA 158 CO -0.37 1.03 -0.37 0.00 0.00 0.00 0.00 179.25 179.54 2gt3 h ALA 159 N 0.65 -0.67 -0.51 0.00 0.00 0.25 -0.87 119.26 118.10 2gt3 h ALA 159 Ca -0.12 -0.08 -0.06 0.00 0.00 0.00 0.00 54.91 54.65 2gt3 h ALA 159 Cb 1.94 0.59 -0.02 0.00 0.00 0.00 0.00 17.79 20.30 2gt3 h ALA 159 CO 0.19 -0.94 0.06 0.00 0.00 0.00 0.00 179.25 178.57 2gt3 h MET 160 N -0.63 0.82 -0.67 0.00 -0.00 -0.66 -2.68 114.93 111.10 2gt3 h MET 160 Ca 0.01 -0.19 0.13 0.00 -0.00 0.00 0.00 59.70 59.65 2gt3 h MET 160 Cb 0.64 -0.11 -0.09 0.00 -0.00 0.00 0.00 31.60 32.04 2gt3 h MET 160 CO -0.18 0.78 0.19 1.25 -0.00 0.00 0.00 176.91 178.95 2gt3 h LEU 161 N 0.77 0.09 -2.54 -0.10 5.85 -0.96 1.12 115.31 119.55 2gt3 h LEU 161 Ca 0.16 0.12 -0.00 0.00 0.84 0.00 0.00 57.88 59.00 2gt3 h LEU 161 Cb 0.38 0.14 -0.00 0.00 0.37 0.00 0.00 40.66 41.55 2gt3 h LEU 161 CO 0.01 0.03 -0.00 0.00 -0.34 0.00 0.00 178.44 178.14 2gt3 h ALA 162 N 1.52 1.44 -0.22 1.25 0.00 -0.83 0.72 119.26 123.15 2gt3 h ALA 162 Ca 0.36 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.27 2gt3 h ALA 162 Cb 0.55 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.34 2gt3 h ALA 162 CO -0.42 0.00 0.00 0.00 0.00 0.00 0.00 179.25 178.83 2gt3 n ALA 163 N -2.29 2.49 -1.14 0.00 0.00 0.37 -4.85 120.51 115.10 2gt3 n ALA 163 Ca -0.03 -0.49 -0.05 0.00 0.00 0.00 0.00 53.44 52.88 2gt3 n ALA 163 Cb 0.08 -1.05 -0.02 0.00 0.00 0.00 0.00 19.45 18.46 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 0.25 -3.64 -4.37 0.00 2.03 0.25 -4.97 116.55 106.10 2gt3 n ASP 164 Ca 0.13 0.12 -0.45 0.00 0.52 0.00 0.00 54.79 55.10 2gt3 n ASP 164 Cb 0.27 -1.55 -0.03 0.00 -0.72 0.00 0.00 41.12 39.09 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 -2.85 6.50 -0.12 1.67 1.01 -0.03 -4.84 116.67 118.00 2gt3 s ASP 165 Ca 0.00 -2.05 0.07 0.00 0.71 0.00 0.00 52.55 51.29 2gt3 s ASP 165 Cb 0.00 -2.29 0.44 0.00 1.01 0.00 0.00 42.92 42.08 2gt3 s ASP 165 CO 0.00 -0.90 1.17 -0.90 0.21 0.00 0.00 175.17 174.75 2gt3 n ASP 166 N 5.49 3.50 -4.31 0.27 5.68 -1.26 -3.21 116.55 122.71 2gt3 n ASP 166 Ca 0.07 -2.49 -0.34 0.00 -0.50 0.00 0.00 54.79 51.53 2gt3 n ASP 166 Cb 0.45 -0.59 0.12 0.00 -1.14 0.00 0.00 41.12 39.96 2gt3 n ASP 166 CO 0.00 0.00 0.00 0.54 -1.33 0.00 0.00 177.20 176.41 2gt3 n ARG 167 N 0.34 -0.49 -3.38 0.11 5.12 -1.26 -4.93 116.66 112.16 2gt3 n ARG 167 Ca 0.15 -0.11 -0.37 0.00 -1.93 0.00 0.00 57.85 55.58 2gt3 n ARG 167 Cb 0.75 -1.66 -0.06 0.00 -1.16 0.00 0.00 32.46 30.32 2gt3 n ARG 167 CO 0.00 0.00 0.00 -1.58 -1.93 0.00 0.00 177.63 174.12 2gt3 s HIS 168 N -2.29 3.49 -0.34 -1.55 5.65 -1.26 -5.03 115.29 113.96 2gt3 s HIS 168 Ca 0.53 0.79 -0.29 0.00 0.25 0.00 0.00 55.06 56.34 2gt3 s HIS 168 Cb -0.18 -2.49 0.01 0.00 -1.18 0.00 0.00 32.58 28.74 2gt3 s HIS 168 CO 0.69 0.18 1.29 -1.50 -0.65 0.00 0.00 174.74 174.76 2gt3 s ILE 169 N 0.61 4.13 -0.11 0.89 2.07 -1.26 -4.52 121.20 123.01 2gt3 s ILE 169 Ca 0.23 1.25 0.16 0.00 -1.41 0.00 0.00 60.65 60.87 2gt3 s ILE 169 Cb -0.14 -4.23 -0.23 0.00 0.13 0.00 0.00 42.46 37.99 2gt3 s ILE 169 CO 0.08 -0.58 0.47 0.35 -1.91 0.00 0.00 174.94 173.35 2gt3 n THR 170 N 6.41 1.39 -1.50 4.00 -2.24 -1.16 -4.95 114.28 116.23 2gt3 n THR 170 Ca 0.15 -0.79 -0.55 0.00 -2.27 0.00 0.00 64.05 60.59 2gt3 n THR 170 Cb 0.47 -0.74 -0.06 0.00 -2.10 0.00 0.00 70.33 67.90 2gt3 n THR 170 CO 0.00 0.00 0.00 1.07 -0.57 0.00 0.00 175.07 175.57 2gt3 n THR 171 N -2.88 0.58 -4.19 4.28 5.66 -0.78 -4.86 114.28 112.09 2gt3 n THR 171 Ca -0.21 -0.15 -0.20 0.00 -3.05 0.00 0.00 64.05 60.45 2gt3 n THR 171 Cb 1.04 -0.18 -0.16 0.00 -1.55 0.00 0.00 70.33 69.47 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 -0.25 0.83 -0.15 1.09 -1.05 -0.96 -5.00 118.70 113.21 2gt3 s GLU 172 Ca 0.82 -0.12 -0.04 0.00 -0.15 0.00 0.00 54.97 55.47 2gt3 s GLU 172 Cb -1.11 -0.82 -0.03 0.00 -0.44 0.00 0.00 34.13 31.73 2gt3 s GLU 172 CO 0.55 -0.06 0.00 0.42 0.95 0.00 0.00 175.26 177.13 2gt3 s ILE 173 N 0.82 4.26 0.12 1.83 1.01 -1.26 -2.18 121.20 125.81 2gt3 s ILE 173 Ca -0.11 -0.23 -0.09 0.00 0.00 0.00 0.00 60.65 60.22 2gt3 s ILE 173 Cb -0.14 -2.87 -0.00 0.00 0.01 0.00 0.00 42.46 39.46 2gt3 s ILE 173 CO 0.00 0.51 0.24 0.00 0.00 0.00 0.00 174.94 175.69 2gt3 s ALA 174 N 0.10 -0.16 0.31 9.38 0.00 -1.09 -4.99 121.76 125.32 2gt3 s ALA 174 Ca 0.02 -0.71 -0.27 0.00 0.00 0.00 0.00 51.96 51.00 2gt3 s ALA 174 Cb -0.13 0.66 -0.14 0.00 0.00 0.00 0.00 23.12 23.51 2gt3 s ALA 174 CO 0.02 -0.58 0.92 -1.71 0.00 0.00 0.00 175.76 174.41 2gt3 n ASN 175 N -0.14 0.86 -4.66 0.00 2.85 -1.26 -4.40 115.26 108.51 2gt3 n ASN 175 Ca -0.12 1.13 -0.50 0.00 -0.11 0.00 0.00 54.58 54.98 2gt3 n ASN 175 Cb 0.63 -1.25 -0.05 0.00 1.24 0.00 0.00 39.78 40.34 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 0.00 0.75 -1.95 5.20 0.00 -1.24 -4.94 120.51 118.33 2gt3 n ALA 176 Ca 0.10 0.23 -0.28 0.00 0.00 0.00 0.00 53.44 53.50 2gt3 n ALA 176 Cb 0.33 -2.48 0.06 0.00 0.00 0.00 0.00 19.45 17.36 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 4.61 2.92 -1.24 0.00 -4.23 -1.26 -4.94 115.64 111.49 2gt3 s THR 177 Ca 0.96 0.08 -0.20 0.00 -1.18 0.00 0.00 61.69 61.35 2gt3 s THR 177 Cb -0.77 -3.25 -0.01 0.00 1.34 0.00 0.00 72.50 69.81 2gt3 s THR 177 CO 0.53 -0.30 1.83 -2.16 -0.54 0.00 0.00 174.62 173.98 2gt3 s PRO 178 N -5.29 3.24 0.65 3.99 0.04 -1.26 -4.95 135.00 131.42 2gt3 s PRO 178 Ca 0.58 -1.57 -0.18 0.00 0.04 0.00 0.00 61.00 59.87 2gt3 s PRO 178 Cb -0.11 -5.39 -0.01 0.00 0.04 0.00 0.00 34.50 29.04 2gt3 s PRO 178 CO 0.48 -3.12 1.27 -0.59 0.04 0.00 0.00 177.00 175.08 2gt3 s PHE 179 N 7.63 2.10 -0.15 0.56 -0.12 -1.26 -4.85 117.98 121.89 2gt3 s PHE 179 Ca 0.61 1.50 0.00 0.00 -0.05 0.00 0.00 56.93 59.00 2gt3 s PHE 179 Cb 0.02 -3.64 0.02 0.00 -0.63 0.00 0.00 43.02 38.79 2gt3 s PHE 179 CO 0.10 -2.80 -0.14 0.71 -0.05 0.00 0.00 175.22 173.04 2gt3 s TYR 180 N -1.50 2.18 0.00 3.49 2.02 -0.91 -4.93 117.35 117.70 2gt3 s TYR 180 Ca 0.81 -1.22 -0.30 0.00 -0.37 0.00 0.00 57.07 55.99 2gt3 s TYR 180 Cb -0.36 -1.60 -0.09 0.00 -0.40 0.00 0.00 41.96 39.52 2gt3 s TYR 180 CO 0.40 -0.67 2.01 0.66 -1.57 0.00 0.00 175.55 176.38 2gt3 n TYR 181 N 4.75 2.44 -1.63 2.71 4.02 -1.26 -2.07 117.16 126.12 2gt3 n TYR 181 Ca -0.17 -0.34 -0.29 0.00 -0.01 0.00 0.00 57.90 57.09 2gt3 n TYR 181 Cb 0.50 -2.80 0.13 0.00 -0.02 0.00 0.00 39.34 37.15 2gt3 n TYR 181 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 2gt3 s ALA 182 N 4.98 1.99 0.74 -0.72 0.00 0.32 -4.83 121.76 124.23 2gt3 s ALA 182 Ca 0.91 -0.57 -0.15 0.00 0.00 0.00 0.00 51.96 52.15 2gt3 s ALA 182 Cb -0.43 -3.01 0.01 0.00 0.00 0.00 0.00 23.12 19.69 2gt3 s ALA 182 CO 0.41 -2.15 0.89 0.39 0.00 0.00 0.00 175.76 175.31 2gt3 n GLU 183 N -3.66 0.39 0.06 0.00 4.71 -1.26 -4.70 120.64 116.18 2gt3 n GLU 183 Ca 0.07 0.19 0.02 0.00 -0.01 0.00 0.00 57.16 57.43 2gt3 n GLU 183 Cb 0.60 -2.16 0.38 0.00 -1.01 0.00 0.00 31.44 29.25 2gt3 n GLU 183 CO 0.00 0.00 0.00 0.22 0.09 0.00 0.00 177.13 177.44 2gt3 h ASP 184 N -0.42 0.35 -0.91 1.62 3.58 -1.90 -0.98 116.42 117.77 2gt3 h ASP 184 Ca -0.47 -0.05 0.19 0.00 0.42 0.00 0.00 57.03 57.13 2gt3 h ASP 184 Cb 1.33 -0.09 -0.07 0.00 1.72 0.00 0.00 39.33 42.22 2gt3 h ASP 184 CO 0.45 0.41 0.59 0.44 -2.88 0.00 0.00 179.24 178.25 2gt3 h ASP 185 N 0.37 0.46 0.08 2.28 5.19 -1.99 -1.34 116.42 121.48 2gt3 h ASP 185 Ca 0.09 0.05 -0.21 0.00 -0.62 0.00 0.00 57.03 56.33 2gt3 h ASP 185 Cb 0.24 -0.04 -0.00 0.00 0.18 0.00 0.00 39.33 39.70 2gt3 h ASP 185 CO 0.00 0.19 -1.08 0.45 -3.12 0.00 0.00 179.24 175.69 2gt3 h HIS 186 N 0.46 0.31 -2.11 4.55 3.86 -1.60 -3.41 115.15 117.21 2gt3 h HIS 186 Ca 0.47 -0.23 -0.63 0.00 -1.16 0.00 0.00 60.37 58.83 2gt3 h HIS 186 Cb 1.10 -0.01 0.07 0.00 1.06 0.00 0.00 27.41 29.62 2gt3 h HIS 186 CO -0.00 1.42 0.49 1.04 0.86 0.00 0.00 177.93 181.74 2gt3 n GLN 187 N -4.15 1.55 -4.04 2.45 6.02 -0.48 -1.08 117.38 117.65 2gt3 n GLN 187 Ca -0.22 0.55 -0.28 0.00 -0.01 0.00 0.00 57.00 57.04 2gt3 n GLN 187 Cb 0.79 -2.18 -0.03 0.00 1.02 0.00 0.00 30.24 29.84 2gt3 n GLN 187 CO 0.00 0.00 0.00 1.04 -1.01 0.00 0.00 177.06 177.09 2gt3 n GLN 188 N 2.31 -3.12 0.07 -1.09 3.00 -1.26 -4.86 117.38 112.42 2gt3 n GLN 188 Ca 0.15 0.38 -0.13 0.00 -0.01 0.00 0.00 57.00 57.39 2gt3 n GLN 188 Cb 0.26 -4.60 -0.08 0.00 0.00 0.00 0.00 30.24 25.81 2gt3 n GLN 188 CO 0.00 0.00 0.00 -0.92 0.00 0.00 0.00 177.06 176.14 2gt3 h TYR 189 N -1.76 -0.13 -0.49 1.08 5.03 -1.34 -2.03 116.97 117.33 2gt3 h TYR 189 Ca -0.62 -0.00 0.14 0.00 2.58 0.00 0.00 58.73 60.83 2gt3 h TYR 189 Cb 1.38 0.04 -0.02 0.00 1.55 0.00 0.00 36.73 39.68 2gt3 h TYR 189 CO 0.53 0.10 0.62 1.25 -1.32 0.00 0.00 178.16 179.33 2gt3 h LEU 190 N -0.34 0.00 0.07 2.82 7.12 -1.80 1.17 115.31 124.36 2gt3 h LEU 190 Ca -0.01 0.00 -0.29 0.00 0.13 0.00 0.00 57.88 57.71 2gt3 h LEU 190 Cb 0.28 0.00 0.03 0.00 -0.53 0.00 0.00 40.66 40.43 2gt3 h LEU 190 CO 0.02 0.00 -1.18 -0.74 -0.13 0.00 0.00 178.44 176.41 2gt3 h HIS 191 N 0.00 0.99 -0.34 1.25 -0.00 -1.71 -3.15 115.15 112.19 2gt3 h HIS 191 Ca 0.23 -0.60 -0.13 0.00 -0.00 0.00 0.00 60.37 59.87 2gt3 h HIS 191 Cb 1.46 -0.09 -0.01 0.00 -0.00 0.00 0.00 27.41 28.77 2gt3 h HIS 191 CO 0.00 1.44 -0.32 0.87 -0.00 0.00 0.00 177.93 179.92 2gt3 h LYS 192 N 0.30 0.74 -3.86 5.26 1.57 0.16 -3.37 116.57 117.38 2gt3 h LYS 192 Ca -0.17 -0.34 -0.64 0.00 -1.87 0.00 0.00 60.65 57.63 2gt3 h LYS 192 Cb 1.85 -0.01 -0.40 0.00 0.08 0.00 0.00 32.23 33.74 2gt3 h LYS 192 CO 0.23 0.96 -0.68 -0.80 -0.57 0.00 0.00 179.45 178.58 2gt3 s ASN 193 N -6.80 4.41 0.00 0.86 0.01 0.54 -4.92 114.94 109.03 2gt3 s ASN 193 Ca -0.09 -2.57 0.22 0.00 -0.71 0.00 0.00 52.86 49.71 2gt3 s ASN 193 Cb 0.12 -1.53 0.97 0.00 0.41 0.00 0.00 41.25 41.22 2gt3 s ASN 193 CO 0.84 -0.30 1.71 -0.81 -1.51 0.00 0.00 177.10 177.03 2gt3 n PRO 194 N 3.69 0.06 0.00 -0.60 -0.04 -1.19 -2.22 135.00 134.70 2gt3 n PRO 194 Ca 0.05 0.11 0.11 0.00 -0.04 0.00 0.00 63.50 63.73 2gt3 n PRO 194 Cb 0.37 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.33 2gt3 n PRO 194 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 2gt3 n TYR 195 N -1.46 0.00 0.00 0.54 4.01 -1.26 -4.95 117.16 114.04 2gt3 n TYR 195 Ca 0.06 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.80 2gt3 n TYR 195 Cb 0.24 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.27 2gt3 n TYR 195 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 2gt3 n GLY 196 N 1.41 -3.17 3.72 2.72 0.00 -0.94 -4.92 105.19 104.01 2gt3 n GLY 196 Ca 0.10 -1.07 -0.40 0.00 0.00 0.00 0.00 46.02 44.65 2gt3 n GLY 196 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 2gt3 s TYR 197 N 0.00 3.58 -0.06 1.61 -0.85 -1.26 -4.92 117.35 115.45 2gt3 s TYR 197 Ca 0.00 1.24 0.25 0.00 -0.52 0.00 0.00 57.07 58.04 2gt3 s TYR 197 Cb 0.00 -2.78 0.45 0.00 0.38 0.00 0.00 41.96 40.01 2gt3 s TYR 197 CO 0.00 0.11 1.16 0.00 -1.52 0.00 0.00 175.55 175.30 2gt3 s GLY 199 N -2.45 2.31 0.43 0.00 0.00 -1.26 -5.07 107.32 101.28 2gt3 s GLY 199 Ca 0.32 -2.97 -0.24 0.00 0.00 0.00 0.00 44.72 41.84 2gt3 s GLY 199 CO -0.14 1.10 1.11 -1.50 0.00 0.00 0.00 173.10 173.68 2gt3 s ILE 200 N 0.50 3.38 0.00 0.90 1.10 -1.26 -5.00 121.20 120.81 2gt3 s ILE 200 Ca 0.13 1.05 0.00 0.00 -0.51 0.00 0.00 60.65 61.32 2gt3 s ILE 200 Cb -0.21 -3.54 0.00 0.00 0.15 0.00 0.00 42.46 38.86 2gt3 s ILE 200 CO -0.04 0.00 0.00 0.61 -2.11 0.00 0.00 174.94 173.40 2gt3 n GLY 201 N 0.40 -0.84 0.00 1.50 0.00 -1.26 -5.02 105.19 99.97 2gt3 n GLY 201 Ca 0.06 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.08 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 0.00 4.10 1.20 -0.02 0.00 -1.26 -5.09 105.19 104.12 2gt3 n GLY 202 Ca 0.00 -0.44 0.00 0.00 0.00 0.00 0.00 46.02 45.58 2gt3 n GLY 202 CO 0.00 0.00 0.00 4.51 0.00 0.00 0.00 173.32 177.83 2gt3 n ILE 203 N -1.21 0.62 -2.49 -0.61 0.00 -1.26 -4.41 119.36 110.00 2gt3 n ILE 203 Ca 0.00 0.20 -0.21 0.00 0.00 0.00 0.00 62.75 62.75 2gt3 n ILE 203 Cb 0.00 -1.37 0.02 0.00 0.00 0.00 0.00 39.64 38.29 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 2.99 0.10 2.86 4.50 0.00 -1.26 -4.96 105.19 109.42 2gt3 n GLY 204 Ca 0.00 0.61 -0.13 0.00 0.00 0.00 0.00 46.02 46.50 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 -0.85 -0.02 -0.68 1.61 1.01 -1.26 -5.07 120.40 115.13 2gt3 s VAL 205 Ca 0.20 0.07 -0.27 0.00 0.00 0.00 0.00 61.98 61.99 2gt3 s VAL 205 Cb -0.02 -0.06 -0.13 0.00 0.00 0.00 0.00 36.38 36.17 2gt3 s VAL 205 CO 0.46 0.03 2.48 0.00 0.00 0.00 0.00 175.10 178.07 2gt3 h LEU 207 N 17.49 0.08 -9.91 0.00 6.46 -1.97 -3.37 115.31 124.09 2gt3 h LEU 207 Ca -0.15 0.10 -0.49 0.00 -0.12 0.00 0.00 57.88 57.22 2gt3 h LEU 207 Cb 1.25 0.12 0.02 0.00 -0.73 0.00 0.00 40.66 41.31 2gt3 h LEU 207 CO 1.23 0.05 0.43 -2.16 -0.62 0.00 0.00 178.44 177.37 2gt3 s PRO 208 N -6.10 4.33 -0.06 5.25 0.04 -1.26 -4.41 135.00 132.79 2gt3 s PRO 208 Ca -0.13 1.61 -0.10 0.00 0.04 0.00 0.00 61.00 62.42 2gt3 s PRO 208 Cb 0.17 -2.77 -0.06 0.00 0.04 0.00 0.00 34.50 31.88 2gt3 s PRO 208 CO 0.74 -0.01 0.41 -1.00 0.04 0.00 0.00 177.00 177.18 2gt3 h PRO 209 N 2.97 -0.32 -7.07 0.56 0.13 -1.88 -3.45 132.00 122.94 2gt3 h PRO 209 Ca -0.48 0.02 -0.50 0.00 -0.87 0.00 0.00 66.00 64.17 2gt3 h PRO 209 Cb 1.21 0.07 0.07 0.00 0.13 0.00 0.00 31.00 32.49 2gt3 h PRO 209 CO 0.64 -0.19 0.44 -2.00 -0.23 0.00 0.00 178.00 176.66 2gt3 s GLU 210 N -2.69 3.44 0.00 0.86 2.56 -1.26 -4.85 118.70 116.77 2gt3 s GLU 210 Ca -0.05 1.63 0.25 0.00 0.00 0.00 0.00 54.97 56.80 2gt3 s GLU 210 Cb 0.00 -2.08 0.36 0.00 2.00 0.00 0.00 34.13 34.42 2gt3 s GLU 210 CO 0.17 -0.78 1.36 0.00 -0.56 0.00 0.00 175.26 175.44