#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3g33 s TYR 11 N 0.00 2.37 -0.25 2.89 2.02 -1.26 -4.73 117.35 118.38 3g33 s TYR 11 Ca 0.00 -0.35 -0.10 0.00 -0.37 0.00 0.00 57.07 56.26 3g33 s TYR 11 Cb 0.00 -1.25 -0.05 0.00 -0.40 0.00 0.00 41.96 40.26 3g33 s TYR 11 CO 0.00 0.39 0.14 -2.00 -1.57 0.00 0.00 175.55 172.51 3g33 s GLU 12 N -2.22 3.94 -0.05 -0.62 2.12 -0.89 -4.93 118.70 116.05 3g33 s GLU 12 Ca 0.17 -0.33 -0.18 0.00 0.36 0.00 0.00 54.97 54.98 3g33 s GLU 12 Cb -0.10 -3.51 -0.05 0.00 0.26 0.00 0.00 34.13 30.73 3g33 s GLU 12 CO 0.08 -0.05 0.50 -1.25 -0.54 0.00 0.00 175.26 173.99 3g33 s PRO 13 N 1.36 4.22 0.00 4.30 0.05 -1.26 0.31 135.00 143.98 3g33 s PRO 13 Ca 0.07 0.53 0.00 0.00 0.05 0.00 0.00 61.00 61.65 3g33 s PRO 13 Cb -0.15 -3.35 0.00 0.00 0.05 0.00 0.00 34.50 31.06 3g33 s PRO 13 CO 0.06 0.37 0.00 0.28 0.05 0.00 0.00 177.00 177.77 3g33 n VAL 14 N 2.85 0.00 -4.35 -0.36 0.31 -0.33 -4.93 118.33 111.53 3g33 n VAL 14 Ca -0.09 0.00 -0.21 0.00 -0.01 0.00 0.00 64.34 64.03 3g33 n VAL 14 Cb 0.52 -0.54 -0.08 0.00 -0.91 0.00 0.00 33.84 32.82 3g33 n VAL 14 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3g33 s ALA 15 N -1.86 2.13 -0.00 3.52 0.00 -1.00 -5.04 121.76 119.51 3g33 s ALA 15 Ca 0.00 -1.78 0.03 0.00 0.00 0.00 0.00 51.96 50.21 3g33 s ALA 15 Cb 0.00 1.24 -0.01 0.00 0.00 0.00 0.00 23.12 24.35 3g33 s ALA 15 CO 0.00 -0.55 -0.10 -2.00 0.00 0.00 0.00 175.76 173.11 3g33 s GLU 16 N -3.60 0.80 0.17 0.00 2.12 -1.26 -0.44 118.70 116.49 3g33 s GLU 16 Ca 0.35 -0.39 -0.03 0.00 0.36 0.00 0.00 54.97 55.27 3g33 s GLU 16 Cb 0.03 -0.77 -0.05 0.00 0.26 0.00 0.00 34.13 33.60 3g33 s GLU 16 CO 0.22 0.21 0.38 0.42 -0.54 0.00 0.00 175.26 175.95 3g33 s ILE 17 N -0.30 5.18 1.14 -3.70 1.01 0.16 -4.86 121.20 119.83 3g33 s ILE 17 Ca 0.03 -0.14 -0.18 0.00 0.00 0.00 0.00 60.65 60.36 3g33 s ILE 17 Cb -0.04 -3.67 0.13 0.00 0.01 0.00 0.00 42.46 38.89 3g33 s ILE 17 CO -0.00 -0.06 0.11 0.61 0.00 0.00 0.00 174.94 175.59 3g33 n GLY 18 N -0.26 -2.50 3.58 6.18 0.00 -1.26 -4.00 105.19 106.94 3g33 n GLY 18 Ca -0.03 -0.84 -0.34 0.00 0.00 0.00 0.00 46.02 44.80 3g33 n GLY 18 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3g33 s VAL 19 N -2.24 4.32 0.00 1.61 1.01 -1.26 -4.31 120.40 119.53 3g33 s VAL 19 Ca 0.57 -0.21 0.00 0.00 0.00 0.00 0.00 61.98 62.34 3g33 s VAL 19 Cb -0.13 -2.90 0.00 0.00 0.00 0.00 0.00 36.38 33.35 3g33 s VAL 19 CO 0.65 0.50 0.00 0.61 0.00 0.00 0.00 175.10 176.86 3g33 n GLY 20 N 3.29 2.47 1.98 4.51 0.00 -1.26 -5.00 105.19 111.18 3g33 n GLY 20 Ca -0.17 -0.14 -0.23 0.00 0.00 0.00 0.00 46.02 45.48 3g33 n GLY 20 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3g33 n ALA 21 N -3.00 5.47 -1.41 4.61 0.00 -1.26 -4.36 120.51 120.56 3g33 n ALA 21 Ca 0.00 -3.31 0.00 0.00 0.00 0.00 0.00 53.44 50.13 3g33 n ALA 21 Cb 0.00 -1.21 0.00 0.00 0.00 0.00 0.00 19.45 18.24 3g33 n ALA 21 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 3g33 n TYR 22 N -0.99 0.00 -1.80 0.00 4.01 -1.26 -5.03 117.16 112.08 3g33 n TYR 22 Ca 0.52 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 58.26 3g33 n TYR 22 Cb 1.06 0.03 0.00 0.00 -0.31 0.00 0.00 39.34 40.12 3g33 n TYR 22 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3g33 n GLY 23 N 0.00 -1.64 3.65 2.72 0.00 -1.26 -4.85 105.19 103.81 3g33 n GLY 23 Ca 0.00 -1.68 -0.43 0.00 0.00 0.00 0.00 46.02 43.91 3g33 n GLY 23 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3g33 s THR 24 N 0.00 4.00 -0.32 2.61 -4.23 -1.26 -4.19 115.64 112.25 3g33 s THR 24 Ca 0.00 1.20 -0.09 0.00 -1.18 0.00 0.00 61.69 61.61 3g33 s THR 24 Cb 0.00 -3.82 0.00 0.00 1.34 0.00 0.00 72.50 70.02 3g33 s THR 24 CO 0.00 -0.16 0.15 -0.69 -0.54 0.00 0.00 174.62 173.38 3g33 s VAL 25 N 3.92 4.47 0.06 2.29 1.01 -1.26 -4.49 120.40 126.41 3g33 s VAL 25 Ca 0.62 -0.58 -0.20 0.00 0.00 0.00 0.00 61.98 61.82 3g33 s VAL 25 Cb -0.25 -3.34 -0.06 0.00 0.00 0.00 0.00 36.38 32.73 3g33 s VAL 25 CO 0.21 -0.00 0.59 -0.31 0.00 0.00 0.00 175.10 175.59 3g33 s TYR 26 N 1.58 3.79 -0.24 5.22 2.02 -0.27 -0.66 117.35 128.78 3g33 s TYR 26 Ca 0.04 1.29 -0.16 0.00 -0.37 0.00 0.00 57.07 57.87 3g33 s TYR 26 Cb -0.18 -2.55 -0.04 0.00 -0.40 0.00 0.00 41.96 38.80 3g33 s TYR 26 CO 0.06 0.53 0.40 0.21 -1.57 0.00 0.00 175.55 175.17 3g33 s LYS 27 N -0.90 4.08 0.26 -0.62 2.20 0.41 0.24 119.74 125.41 3g33 s LYS 27 Ca 0.30 0.14 0.03 0.00 -0.36 0.00 0.00 55.97 56.08 3g33 s LYS 27 Cb -0.20 -3.61 -0.05 0.00 -1.51 0.00 0.00 37.83 32.46 3g33 s LYS 27 CO 0.19 -0.19 0.04 0.00 -0.36 0.00 0.00 175.35 175.03 3g33 s ALA 28 N 1.80 1.88 -0.10 3.13 0.00 0.19 -1.18 121.76 127.49 3g33 s ALA 28 Ca 0.17 -1.85 -0.02 0.00 0.00 0.00 0.00 51.96 50.26 3g33 s ALA 28 Cb -0.15 0.70 -0.03 0.00 0.00 0.00 0.00 23.12 23.64 3g33 s ALA 28 CO 0.09 -0.33 -0.02 1.03 0.00 0.00 0.00 175.76 176.53 3g33 s ARG 29 N -3.93 3.09 -0.53 0.00 0.52 0.91 -0.38 118.95 118.63 3g33 s ARG 29 Ca 0.33 -0.46 -0.20 0.00 -0.52 0.00 0.00 55.73 54.88 3g33 s ARG 29 Cb 0.07 -2.78 0.06 0.00 0.52 0.00 0.00 34.95 32.82 3g33 s ARG 29 CO 0.11 0.60 0.71 0.34 0.02 0.00 0.00 175.30 177.08 3g33 s ASP 30 N -0.60 6.24 0.00 0.23 -1.08 -0.80 -2.10 116.67 118.56 3g33 s ASP 30 Ca 0.10 -0.87 0.00 0.00 -0.52 0.00 0.00 52.55 51.26 3g33 s ASP 30 Cb -0.12 -2.32 0.00 0.00 -1.46 0.00 0.00 42.92 39.02 3g33 s ASP 30 CO 0.02 -1.00 0.72 -2.65 0.52 0.00 0.00 175.17 172.78 3g33 n PRO 31 N 6.50 0.00 -0.05 4.34 -0.02 -1.26 -0.89 135.00 143.62 3g33 n PRO 31 Ca -0.05 0.25 -0.05 0.00 -2.02 0.00 0.00 63.50 61.63 3g33 n PRO 31 Cb 0.45 -1.54 -0.02 0.00 -0.02 0.00 0.00 33.50 32.38 3g33 n PRO 31 CO 0.00 0.00 0.00 0.72 1.98 0.00 0.00 175.50 178.20 3g33 n HIS 32 N -1.22 0.15 0.13 6.00 8.25 -1.26 -4.69 115.22 122.57 3g33 n HIS 32 Ca 0.00 0.06 0.00 0.00 -0.26 0.00 0.00 57.72 57.53 3g33 n HIS 32 Cb 0.04 -0.38 0.05 0.00 1.12 0.00 0.00 29.99 30.82 3g33 n HIS 32 CO 0.00 0.00 0.00 0.66 0.64 0.00 0.00 176.34 177.64 3g33 h SER 33 N -0.63 0.00 0.00 0.41 4.64 -1.94 -3.47 113.55 112.57 3g33 h SER 33 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3g33 h SER 33 Cb 0.55 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.64 3g33 h SER 33 CO 0.00 0.62 0.00 0.61 -0.87 0.00 0.00 176.83 177.19 3g33 n GLY 34 N 1.01 1.16 3.83 -0.77 0.00 -0.06 -5.03 105.19 105.32 3g33 n GLY 34 Ca 0.01 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.70 3g33 n GLY 34 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3g33 s HIS 35 N -3.46 3.34 0.19 1.61 3.76 -1.26 -4.80 115.29 114.67 3g33 s HIS 35 Ca 0.00 1.55 -0.20 0.00 -0.15 0.00 0.00 55.06 56.26 3g33 s HIS 35 Cb 0.00 -2.84 -0.08 0.00 1.11 0.00 0.00 32.58 30.77 3g33 s HIS 35 CO 0.00 -0.28 0.70 -0.06 -0.85 0.00 0.00 174.74 174.25 3g33 s PHE 36 N -2.35 3.70 0.08 1.40 0.08 -1.26 -1.89 117.98 117.73 3g33 s PHE 36 Ca 0.61 1.39 0.08 0.00 0.12 0.00 0.00 56.93 59.13 3g33 s PHE 36 Cb -0.10 -2.61 -0.03 0.00 -0.57 0.00 0.00 43.02 39.71 3g33 s PHE 36 CO 0.21 0.40 -0.20 0.14 -0.10 0.00 0.00 175.22 175.67 3g33 s VAL 37 N -1.42 1.61 -0.56 -0.44 -7.23 0.49 -3.09 120.40 109.77 3g33 s VAL 37 Ca 0.40 -1.41 -0.17 0.00 -1.81 0.00 0.00 61.98 58.99 3g33 s VAL 37 Cb -0.18 -1.46 0.11 0.00 0.56 0.00 0.00 36.38 35.42 3g33 s VAL 37 CO 0.21 -0.01 0.58 0.00 -0.31 0.00 0.00 175.10 175.58 3g33 s ALA 38 N -1.07 3.54 -0.02 1.32 0.00 -0.19 -0.63 121.76 124.71 3g33 s ALA 38 Ca 0.06 -2.36 -0.30 0.00 0.00 0.00 0.00 51.96 49.35 3g33 s ALA 38 Cb -0.10 -3.37 -0.04 0.00 0.00 0.00 0.00 23.12 19.61 3g33 s ALA 38 CO 0.03 -2.15 1.27 -0.51 0.00 0.00 0.00 175.76 174.41 3g33 s LEU 39 N 2.09 4.31 -0.15 0.00 1.43 0.14 -1.81 118.68 124.69 3g33 s LEU 39 Ca 0.07 1.96 -0.01 0.00 -1.03 0.00 0.00 54.13 55.11 3g33 s LEU 39 Cb -0.27 -3.56 0.04 0.00 0.03 0.00 0.00 46.19 42.43 3g33 s LEU 39 CO 0.05 -0.61 -0.02 -0.75 0.23 0.00 0.00 176.35 175.24 3g33 s LYS 40 N 2.08 1.10 -0.01 1.70 2.20 -0.74 -1.12 119.74 124.95 3g33 s LYS 40 Ca 0.59 -0.35 0.00 0.00 -0.36 0.00 0.00 55.97 55.85 3g33 s LYS 40 Cb -0.28 -1.78 -0.04 0.00 -1.51 0.00 0.00 37.83 34.22 3g33 s LYS 40 CO 0.25 -0.44 0.05 -1.12 -0.36 0.00 0.00 175.35 173.73 3g33 s SER 41 N 1.76 5.48 -0.01 1.43 0.01 -1.26 0.04 113.70 121.14 3g33 s SER 41 Ca 0.02 0.10 -0.03 0.00 1.31 0.00 0.00 55.95 57.35 3g33 s SER 41 Cb -0.15 -1.53 0.00 0.00 0.21 0.00 0.00 66.02 64.55 3g33 s SER 41 CO -0.07 0.28 0.06 0.68 0.41 0.00 0.00 173.24 174.60 3g33 s VAL 42 N -1.15 0.03 -0.23 3.43 -7.23 -0.16 -4.96 120.40 110.14 3g33 s VAL 42 Ca 0.21 -0.28 -0.15 0.00 -1.81 0.00 0.00 61.98 59.96 3g33 s VAL 42 Cb -0.12 -0.18 -0.04 0.00 0.56 0.00 0.00 36.38 36.60 3g33 s VAL 42 CO 0.12 -0.15 0.36 0.00 -0.31 0.00 0.00 175.10 175.11 3g33 s ARG 43 N -0.46 4.12 0.46 4.82 1.70 -1.26 0.31 118.95 128.63 3g33 s ARG 43 Ca -0.05 0.09 0.07 0.00 -0.47 0.00 0.00 55.73 55.36 3g33 s ARG 43 Cb -0.03 -3.57 -0.01 0.00 -0.57 0.00 0.00 34.95 30.77 3g33 s ARG 43 CO 0.00 -0.09 0.31 0.08 -1.08 0.00 0.00 175.30 174.52 3g33 s VAL 44 N 1.47 2.13 -0.07 4.99 1.01 0.61 -4.84 120.40 125.69 3g33 s VAL 44 Ca 0.16 -1.53 -0.30 0.00 0.00 0.00 0.00 61.98 60.31 3g33 s VAL 44 Cb -0.15 -2.66 -0.02 0.00 0.00 0.00 0.00 36.38 33.55 3g33 s VAL 44 CO 0.08 0.00 1.07 -2.84 0.00 0.00 0.00 175.10 173.41 3g33 s PRO 45 N -4.10 4.42 -0.06 2.72 0.02 -1.26 -1.03 135.00 135.70 3g33 s PRO 45 Ca 0.39 1.49 0.09 0.00 0.02 0.00 0.00 61.00 62.99 3g33 s PRO 45 Cb -0.00 -3.53 -0.13 0.00 0.02 0.00 0.00 34.50 30.86 3g33 s PRO 45 CO 0.23 -0.32 0.10 -1.71 -0.33 0.00 0.00 177.00 174.96 3g33 n ASN 46 N 4.91 2.68 -3.92 2.53 5.15 -1.26 -4.45 115.26 120.90 3g33 n ASN 46 Ca 0.09 0.00 -0.13 0.00 -0.60 0.00 0.00 54.58 53.94 3g33 n ASN 46 Cb 0.48 0.99 -0.14 0.00 -0.53 0.00 0.00 39.78 40.59 3g33 n ASN 46 CO 0.00 0.00 0.00 -0.83 1.40 0.00 0.00 177.26 177.83 3g33 s GLY 47 N -3.80 0.15 0.47 8.20 0.00 -1.26 -3.92 107.32 107.16 3g33 s GLY 47 Ca -0.04 -0.18 0.00 0.00 0.00 0.00 0.00 44.72 44.50 3g33 s GLY 47 CO 0.40 -0.17 0.01 0.61 0.00 0.00 0.00 173.10 173.95 3g33 n GLY 48 N 2.83 3.57 1.03 0.20 0.00 -1.19 -4.80 105.19 106.82 3g33 n GLY 48 Ca -0.14 -2.34 0.08 0.00 0.00 0.00 0.00 46.02 43.62 3g33 n GLY 48 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3g33 n GLY 49 N -0.74 1.59 2.39 -0.02 0.00 -1.26 -3.71 105.19 103.44 3g33 n GLY 49 Ca -0.19 -0.58 -0.02 0.00 0.00 0.00 0.00 46.02 45.23 3g33 n GLY 49 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3g33 n GLY 50 N 1.26 2.30 0.00 -0.02 0.00 -1.26 -5.10 105.19 102.36 3g33 n GLY 50 Ca 0.18 -1.22 0.00 0.00 0.00 0.00 0.00 46.02 44.98 3g33 n GLY 50 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3g33 n GLY 51 N -0.41 1.03 3.68 -0.02 0.00 -1.24 -4.94 105.19 103.28 3g33 n GLY 51 Ca 0.12 -1.72 -0.48 0.00 0.00 0.00 0.00 46.02 43.94 3g33 n GLY 51 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3g33 n GLY 52 N 1.09 1.28 3.17 -0.02 0.00 -1.26 -3.19 105.19 106.25 3g33 n GLY 52 Ca 0.00 0.80 -0.08 0.00 0.00 0.00 0.00 46.02 46.73 3g33 n GLY 52 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3g33 s GLY 53 N 2.90 0.48 0.04 -0.02 0.00 -1.25 -4.84 107.32 104.63 3g33 s GLY 53 Ca 0.88 -1.06 0.06 0.00 0.00 0.00 0.00 44.72 44.60 3g33 s GLY 53 CO 0.48 -1.13 -0.12 1.08 0.00 0.00 0.00 173.10 173.41 3g33 s LEU 54 N -2.94 2.91 -0.36 0.66 1.43 -1.26 -4.12 118.68 115.00 3g33 s LEU 54 Ca 0.11 -0.32 -0.28 0.00 -1.03 0.00 0.00 54.13 52.61 3g33 s LEU 54 Cb 0.06 -1.70 -0.01 0.00 0.03 0.00 0.00 46.19 44.57 3g33 s LEU 54 CO -0.07 0.24 1.68 -2.16 0.23 0.00 0.00 176.35 176.28 3g33 s PRO 55 N -1.63 3.40 0.28 1.29 0.04 -1.26 -4.84 135.00 132.28 3g33 s PRO 55 Ca 0.17 1.27 -0.00 0.00 0.04 0.00 0.00 61.00 62.48 3g33 s PRO 55 Cb -0.11 -4.15 0.64 0.00 0.04 0.00 0.00 34.50 30.92 3g33 s PRO 55 CO 0.08 -1.78 1.65 0.82 0.04 0.00 0.00 177.00 177.81 3g33 h ILE 56 N 6.70 0.33 0.00 0.56 2.04 -1.99 0.16 117.51 125.30 3g33 h ILE 56 Ca -0.32 -0.06 -0.01 0.00 1.00 0.00 0.00 64.86 65.47 3g33 h ILE 56 Cb 1.15 0.12 -0.00 0.00 -0.74 0.00 0.00 36.82 37.35 3g33 h ILE 56 CO 1.05 0.03 -0.04 0.77 0.00 0.00 0.00 178.15 179.96 3g33 h SER 57 N 0.19 0.00 0.14 1.72 4.64 -1.97 -1.13 113.55 117.13 3g33 h SER 57 Ca 0.52 0.00 -0.21 0.00 -0.47 0.00 0.00 61.79 61.63 3g33 h SER 57 Cb 1.01 0.00 0.02 0.00 -0.31 0.00 0.00 62.40 63.12 3g33 h SER 57 CO -0.65 0.04 -0.91 0.74 -0.87 0.00 0.00 176.83 175.18 3g33 h THR 58 N 0.00 1.46 -0.06 2.95 2.02 -1.01 -2.71 112.91 115.56 3g33 h THR 58 Ca -0.00 -2.49 -0.08 0.00 0.77 0.00 0.00 66.41 64.61 3g33 h THR 58 Cb 0.08 3.07 -0.01 0.00 -1.74 0.00 0.00 68.15 69.55 3g33 h THR 58 CO 0.01 0.72 -0.33 0.58 0.37 0.00 0.00 175.52 176.87 3g33 h VAL 59 N -0.22 1.26 0.15 3.16 2.07 -1.11 -1.92 116.25 119.63 3g33 h VAL 59 Ca -0.15 -1.21 -0.01 0.00 0.82 0.00 0.00 66.70 66.15 3g33 h VAL 59 Cb 1.69 1.58 0.00 0.00 -1.52 0.00 0.00 31.29 33.04 3g33 h VAL 59 CO 0.17 0.36 -0.07 0.03 0.02 0.00 0.00 177.57 178.08 3g33 h ARG 60 N 0.09 -0.19 -0.13 1.57 3.08 -1.29 -2.40 114.38 115.12 3g33 h ARG 60 Ca 0.01 0.01 -0.07 0.00 0.07 0.00 0.00 59.98 60.00 3g33 h ARG 60 Cb 0.63 0.04 -0.01 0.00 0.08 0.00 0.00 29.97 30.71 3g33 h ARG 60 CO 0.05 0.24 -0.26 0.93 -1.07 0.00 0.00 179.97 179.86 3g33 h GLU 61 N -0.73 0.23 -0.25 0.04 5.08 -1.43 0.28 114.58 117.79 3g33 h GLU 61 Ca -0.02 -0.07 -0.15 0.00 -1.00 0.00 0.00 59.36 58.11 3g33 h GLU 61 Cb 0.52 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.74 3g33 h GLU 61 CO 0.03 0.48 -0.46 0.28 -1.00 0.00 0.00 179.01 178.34 3g33 h VAL 62 N 0.21 1.30 0.00 3.13 2.07 -1.44 -2.38 116.25 119.13 3g33 h VAL 62 Ca 0.03 -1.66 -0.13 0.00 0.82 0.00 0.00 66.70 65.76 3g33 h VAL 62 Cb 0.57 1.60 -0.02 0.00 -1.52 0.00 0.00 31.29 31.92 3g33 h VAL 62 CO 0.04 0.53 -0.64 0.00 0.02 0.00 0.00 177.57 177.52 3g33 h ALA 63 N 0.96 0.87 -0.30 1.67 0.00 -0.85 -2.58 119.26 119.03 3g33 h ALA 63 Ca 0.03 -0.58 -0.12 0.00 0.00 0.00 0.00 54.91 54.24 3g33 h ALA 63 Cb 1.01 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.68 3g33 h ALA 63 CO 0.09 0.80 -0.33 1.25 0.00 0.00 0.00 179.25 181.06 3g33 h LEU 64 N 0.00 0.67 0.00 0.00 5.85 -0.31 -2.38 115.31 119.14 3g33 h LEU 64 Ca -0.01 -0.27 -0.00 0.00 0.84 0.00 0.00 57.88 58.44 3g33 h LEU 64 Cb 1.18 -0.19 0.00 0.00 0.37 0.00 0.00 40.66 42.03 3g33 h LEU 64 CO 0.08 0.95 -0.00 -0.07 -0.34 0.00 0.00 178.44 179.06 3g33 h LEU 65 N 0.55 -0.00 -1.25 2.25 4.07 -1.35 -3.04 115.31 116.54 3g33 h LEU 65 Ca 0.06 -0.43 0.19 0.00 0.08 0.00 0.00 57.88 57.78 3g33 h LEU 65 Cb 0.83 0.00 -0.09 0.00 1.08 0.00 0.00 40.66 42.48 3g33 h LEU 65 CO 0.07 0.43 0.61 0.03 -1.08 0.00 0.00 178.44 178.50 3g33 h ARG 66 N -0.44 0.59 -0.72 1.13 2.47 -1.43 -0.42 114.38 115.57 3g33 h ARG 66 Ca -0.00 -0.04 -0.01 0.00 -1.26 0.00 0.00 59.98 58.67 3g33 h ARG 66 Cb 0.43 -0.13 -0.03 0.00 -1.65 0.00 0.00 29.97 28.59 3g33 h ARG 66 CO 0.00 0.39 0.40 -0.09 0.56 0.00 0.00 179.97 181.23 3g33 h ARG 67 N 0.61 1.00 -0.81 0.04 2.43 -1.35 -2.69 114.38 113.61 3g33 h ARG 67 Ca 0.52 -0.11 0.04 0.00 -0.81 0.00 0.00 59.98 59.62 3g33 h ARG 67 Cb 1.00 -0.20 -0.05 0.00 -0.42 0.00 0.00 29.97 30.30 3g33 h ARG 67 CO -0.27 0.74 0.51 -0.07 -1.51 0.00 0.00 179.97 179.36 3g33 h LEU 68 N 0.99 0.82 -1.39 3.80 4.07 -0.96 -1.80 115.31 120.83 3g33 h LEU 68 Ca 0.25 0.01 0.30 0.00 0.08 0.00 0.00 57.88 58.52 3g33 h LEU 68 Cb 0.02 -0.17 -0.10 0.00 1.08 0.00 0.00 40.66 41.50 3g33 h LEU 68 CO -0.04 0.55 0.71 -0.08 -1.08 0.00 0.00 178.44 178.50 3g33 h GLU 69 N 0.96 0.30 -0.58 1.13 4.81 -1.30 0.28 114.58 120.18 3g33 h GLU 69 Ca 0.34 -0.02 0.05 0.00 -0.13 0.00 0.00 59.36 59.60 3g33 h GLU 69 Cb 0.08 -0.07 -0.05 0.00 0.63 0.00 0.00 28.75 29.34 3g33 h GLU 69 CO -0.14 0.20 0.30 0.00 -0.73 0.00 0.00 179.01 178.65 3g33 h ALA 70 N 1.61 0.76 0.00 2.92 0.00 -1.39 -0.93 119.26 122.22 3g33 h ALA 70 Ca 0.64 0.02 -0.01 0.00 0.00 0.00 0.00 54.91 55.56 3g33 h ALA 70 Cb 1.76 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 19.46 3g33 h ALA 70 CO -0.31 -0.03 -0.07 0.74 0.00 0.00 0.00 179.25 179.57 3g33 h PHE 71 N 0.58 0.00 -6.17 0.00 0.04 -1.05 -3.46 116.94 106.87 3g33 h PHE 71 Ca 0.26 0.00 -0.43 0.00 2.80 0.00 0.00 57.97 60.60 3g33 h PHE 71 Cb 0.16 0.00 0.05 0.00 2.20 0.00 0.00 35.95 38.36 3g33 h PHE 71 CO -0.09 0.07 -0.87 0.39 -0.60 0.00 0.00 178.31 177.20 3g33 n GLU 72 N -3.70 -3.46 -2.42 1.51 1.02 -0.36 -4.93 120.64 108.31 3g33 n GLU 72 Ca -0.02 0.55 -0.41 0.00 -0.02 0.00 0.00 57.16 57.26 3g33 n GLU 72 Cb 0.17 -4.82 -0.04 0.00 -0.02 0.00 0.00 31.44 26.74 3g33 n GLU 72 CO 0.00 0.00 0.00 -1.58 1.18 0.00 0.00 177.13 176.73 3g33 s HIS 73 N -3.67 3.48 -1.05 -0.32 2.46 -1.26 -4.93 115.29 110.00 3g33 s HIS 73 Ca 0.15 1.49 0.19 0.00 0.47 0.00 0.00 55.06 57.36 3g33 s HIS 73 Cb -0.05 -3.38 0.84 0.00 -0.13 0.00 0.00 32.58 29.86 3g33 s HIS 73 CO 0.84 -1.01 1.62 -2.30 -2.47 0.00 0.00 174.74 171.42 3g33 n PRO 74 N 2.36 0.03 -0.34 2.88 -0.02 -1.26 -3.39 135.00 135.27 3g33 n PRO 74 Ca 0.03 0.16 0.08 0.00 -2.02 0.00 0.00 63.50 61.76 3g33 n PRO 74 Cb 0.45 -1.50 0.22 0.00 -0.02 0.00 0.00 33.50 32.65 3g33 n PRO 74 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 3g33 n ASN 75 N -1.47 3.46 -3.93 2.55 5.03 -1.26 -4.61 115.26 115.03 3g33 n ASN 75 Ca 0.05 -2.83 -0.13 0.00 0.87 0.00 0.00 54.58 52.54 3g33 n ASN 75 Cb 0.22 -0.46 -0.13 0.00 -1.02 0.00 0.00 39.78 38.38 3g33 n ASN 75 CO 0.00 0.00 0.00 0.68 -1.83 0.00 0.00 177.26 176.11 3g33 s VAL 76 N -2.48 0.18 0.28 2.41 -7.23 -1.22 -1.14 120.40 111.21 3g33 s VAL 76 Ca 0.36 -0.32 -0.29 0.00 -1.81 0.00 0.00 61.98 59.92 3g33 s VAL 76 Cb 0.29 -0.20 -0.10 0.00 0.56 0.00 0.00 36.38 36.92 3g33 s VAL 76 CO 0.09 -0.09 1.32 -0.69 -0.31 0.00 0.00 175.10 175.41 3g33 s VAL 77 N -0.42 2.87 0.04 1.32 1.01 0.24 -4.74 120.40 120.72 3g33 s VAL 77 Ca -0.03 0.81 -0.13 0.00 0.00 0.00 0.00 61.98 62.62 3g33 s VAL 77 Cb -0.03 -3.51 -0.06 0.00 0.00 0.00 0.00 36.38 32.77 3g33 s VAL 77 CO -0.00 0.17 0.43 -0.13 0.00 0.00 0.00 175.10 175.56 3g33 s ARG 78 N -1.15 3.89 -0.77 2.72 0.52 -1.26 -4.91 118.95 117.98 3g33 s ARG 78 Ca 0.52 0.36 -0.19 0.00 -0.52 0.00 0.00 55.73 55.91 3g33 s ARG 78 Cb -0.39 -3.12 0.13 0.00 0.52 0.00 0.00 34.95 32.09 3g33 s ARG 78 CO 0.47 0.62 0.92 -1.17 0.02 0.00 0.00 175.30 176.16 3g33 s LEU 79 N -1.44 5.33 0.03 2.53 2.96 -1.26 -0.03 118.68 126.80 3g33 s LEU 79 Ca 0.28 -1.81 -0.24 0.00 -0.22 0.00 0.00 54.13 52.14 3g33 s LEU 79 Cb -0.16 -2.34 -0.17 0.00 0.50 0.00 0.00 46.19 44.02 3g33 s LEU 79 CO 0.16 -1.06 1.46 0.24 -1.32 0.00 0.00 176.35 175.83 3g33 h MET 80 N 8.88 0.04 -3.91 1.98 2.86 -1.09 -3.45 114.93 120.25 3g33 h MET 80 Ca -0.05 -0.01 -0.11 0.00 -2.06 0.00 0.00 59.70 57.47 3g33 h MET 80 Cb 1.05 -0.00 -0.11 0.00 0.06 0.00 0.00 31.60 32.59 3g33 h MET 80 CO 1.06 0.33 -0.28 0.34 1.06 0.00 0.00 176.91 179.41 3g33 s ASP 81 N -5.54 -0.00 -0.04 1.22 2.15 -1.00 -5.02 116.67 108.44 3g33 s ASP 81 Ca -0.15 -0.98 -0.02 0.00 0.43 0.00 0.00 52.55 51.83 3g33 s ASP 81 Cb 0.04 0.49 0.03 0.00 -0.30 0.00 0.00 42.92 43.18 3g33 s ASP 81 CO 0.68 -0.99 0.06 -0.69 -0.17 0.00 0.00 175.17 174.06 3g33 s VAL 82 N -4.02 -0.11 0.07 1.11 1.01 -1.26 -0.59 120.40 116.60 3g33 s VAL 82 Ca 0.23 0.36 0.06 0.00 0.00 0.00 0.00 61.98 62.63 3g33 s VAL 82 Cb 0.02 -0.15 -0.04 0.00 0.00 0.00 0.00 36.38 36.22 3g33 s VAL 82 CO 0.06 0.15 -0.10 0.00 0.00 0.00 0.00 175.10 175.21 3g33 s ALA 84 N -1.12 0.09 -0.03 0.00 0.00 -1.26 0.61 121.76 120.06 3g33 s ALA 84 Ca 0.19 0.16 -0.01 0.00 0.00 0.00 0.00 51.96 52.31 3g33 s ALA 84 Cb -0.11 -0.16 0.03 0.00 0.00 0.00 0.00 23.12 22.88 3g33 s ALA 84 CO 0.11 -0.06 0.04 0.99 0.00 0.00 0.00 175.76 176.84 3g33 s THR 85 N 0.65 -0.07 -1.33 0.00 2.01 -0.77 -5.01 115.64 111.11 3g33 s THR 85 Ca -0.06 0.27 -0.14 0.00 0.31 0.00 0.00 61.69 62.08 3g33 s THR 85 Cb -0.08 -0.10 0.11 0.00 0.01 0.00 0.00 72.50 72.43 3g33 s THR 85 CO -0.02 0.11 1.88 -1.54 -0.69 0.00 0.00 174.62 174.36 3g33 n SER 86 N 4.46 4.69 -0.03 3.53 3.41 -1.26 -1.56 113.62 126.86 3g33 n SER 86 Ca -0.22 -2.96 -0.14 0.00 -0.26 0.00 0.00 58.87 55.30 3g33 n SER 86 Cb 0.50 -1.61 -0.10 0.00 -0.26 0.00 0.00 64.21 62.73 3g33 n SER 86 CO 0.00 0.00 0.00 0.03 -0.16 0.00 0.00 175.04 174.91 3g33 h ARG 87 N 6.49 0.10 -6.57 4.33 3.08 -1.94 -3.45 114.38 116.43 3g33 h ARG 87 Ca 0.45 -0.07 -0.51 0.00 0.07 0.00 0.00 59.98 59.92 3g33 h ARG 87 Cb 0.73 0.01 -0.00 0.00 0.08 0.00 0.00 29.97 30.79 3g33 h ARG 87 CO 1.60 0.69 -0.10 0.99 -1.07 0.00 0.00 179.97 182.09 3g33 s THR 88 N -3.77 4.99 -0.48 2.04 2.01 -1.25 -5.01 115.64 114.18 3g33 s THR 88 Ca -0.16 0.09 0.24 0.00 0.31 0.00 0.00 61.69 62.16 3g33 s THR 88 Cb 0.02 -3.75 0.21 0.00 0.01 0.00 0.00 72.50 68.98 3g33 s THR 88 CO 0.70 -0.41 1.47 0.44 -0.69 0.00 0.00 174.62 176.14 3g33 h ASP 89 N 1.44 0.00 -0.22 3.53 3.32 -2.02 -3.28 116.42 119.19 3g33 h ASP 89 Ca -0.48 -0.03 0.00 0.00 0.02 0.00 0.00 57.03 56.54 3g33 h ASP 89 Cb 1.19 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.74 3g33 h ASP 89 CO 0.65 0.02 0.00 0.54 -1.72 0.00 0.00 179.24 178.73 3g33 n ARG 90 N -2.70 1.90 -3.39 3.56 3.00 -1.26 -4.84 116.66 112.93 3g33 n ARG 90 Ca 0.03 -1.81 -0.04 0.00 -0.01 0.00 0.00 57.85 56.02 3g33 n ARG 90 Cb 0.50 -1.35 0.02 0.00 0.00 0.00 0.00 32.46 31.64 3g33 n ARG 90 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.63 176.78 3g33 n GLU 91 N 0.95 0.67 -3.85 5.56 0.28 -1.24 -4.00 120.64 118.99 3g33 n GLU 91 Ca 0.13 -1.42 -0.12 0.00 -0.16 0.00 0.00 57.16 55.58 3g33 n GLU 91 Cb 0.45 1.86 -0.12 0.00 1.43 0.00 0.00 31.44 35.06 3g33 n GLU 91 CO 0.00 0.00 0.00 -1.50 -0.16 0.00 0.00 177.13 175.47 3g33 s ILE 92 N -2.18 0.02 -0.31 3.84 2.07 -0.20 -3.96 121.20 120.48 3g33 s ILE 92 Ca 0.17 -0.17 -0.13 0.00 -1.41 0.00 0.00 60.65 59.11 3g33 s ILE 92 Cb -0.03 -0.19 -0.03 0.00 0.13 0.00 0.00 42.46 42.34 3g33 s ILE 92 CO 0.06 -0.09 0.28 -0.54 -1.91 0.00 0.00 174.94 172.74 3g33 s LYS 93 N -0.27 3.75 -0.26 3.50 1.02 -0.60 0.22 119.74 127.11 3g33 s LYS 93 Ca -0.03 -0.36 -0.10 0.00 0.02 0.00 0.00 55.97 55.50 3g33 s LYS 93 Cb -0.02 -3.73 -0.04 0.00 -0.52 0.00 0.00 37.83 33.51 3g33 s LYS 93 CO 0.00 -0.35 0.15 0.08 -0.92 0.00 0.00 175.35 174.31 3g33 s VAL 94 N 1.87 5.07 -0.32 3.17 1.01 0.15 -1.86 120.40 129.49 3g33 s VAL 94 Ca 0.09 0.08 -0.10 0.00 0.00 0.00 0.00 61.98 62.06 3g33 s VAL 94 Cb -0.16 -3.38 -0.00 0.00 0.00 0.00 0.00 36.38 32.83 3g33 s VAL 94 CO 0.11 0.31 0.16 -0.89 0.00 0.00 0.00 175.10 174.79 3g33 s THR 95 N 1.44 4.62 -0.31 3.92 2.01 0.20 -0.99 115.64 126.54 3g33 s THR 95 Ca 0.07 -0.47 -0.19 0.00 0.31 0.00 0.00 61.69 61.41 3g33 s THR 95 Cb -0.15 -3.38 -0.01 0.00 0.01 0.00 0.00 72.50 68.96 3g33 s THR 95 CO 0.07 0.03 0.56 -0.76 -0.69 0.00 0.00 174.62 173.83 3g33 s LEU 96 N 1.61 4.17 -0.68 4.42 1.02 0.11 -0.19 118.68 129.14 3g33 s LEU 96 Ca 0.04 0.31 -0.21 0.00 0.02 0.00 0.00 54.13 54.30 3g33 s LEU 96 Cb -0.17 -2.70 0.09 0.00 0.02 0.00 0.00 46.19 43.43 3g33 s LEU 96 CO 0.06 -0.42 0.90 -0.69 0.02 0.00 0.00 176.35 176.22 3g33 s VAL 97 N 2.46 4.57 0.38 -1.59 1.01 0.24 -1.79 120.40 125.68 3g33 s VAL 97 Ca 0.22 -0.79 -0.03 0.00 0.00 0.00 0.00 61.98 61.38 3g33 s VAL 97 Cb -0.15 -4.63 -0.04 0.00 0.00 0.00 0.00 36.38 31.55 3g33 s VAL 97 CO 0.12 -1.35 0.65 -0.36 0.00 0.00 0.00 175.10 174.15 3g33 s PHE 98 N 3.34 3.52 -0.01 5.22 0.08 -0.75 -0.49 117.98 128.89 3g33 s PHE 98 Ca 0.20 0.61 -0.30 0.00 0.12 0.00 0.00 56.93 57.57 3g33 s PHE 98 Cb -0.17 -2.11 -0.06 0.00 -0.57 0.00 0.00 43.02 40.11 3g33 s PHE 98 CO 0.06 -0.02 1.50 -2.00 -0.10 0.00 0.00 175.22 174.66 3g33 s GLU 99 N -4.27 4.24 0.00 0.44 2.12 0.95 -1.02 118.70 121.16 3g33 s GLU 99 Ca 0.44 2.08 -0.15 0.00 0.36 0.00 0.00 54.97 57.70 3g33 s GLU 99 Cb -0.10 -3.68 -0.06 0.00 0.26 0.00 0.00 34.13 30.55 3g33 s GLU 99 CO 0.38 -0.68 0.42 -1.58 -0.54 0.00 0.00 175.26 173.25 3g33 s HIS 100 N 2.90 3.73 -0.16 5.30 5.65 -1.18 -4.67 115.29 126.86 3g33 s HIS 100 Ca 0.68 1.01 -0.04 0.00 0.25 0.00 0.00 55.06 56.95 3g33 s HIS 100 Cb -0.33 -2.30 0.08 0.00 -1.18 0.00 0.00 32.58 28.84 3g33 s HIS 100 CO 0.28 0.63 0.25 0.54 -0.65 0.00 0.00 174.74 175.79 3g33 s VAL 101 N -1.05 -0.38 0.08 0.89 0.11 -1.26 -4.87 120.40 113.92 3g33 s VAL 101 Ca 0.24 0.11 -0.34 0.00 -2.93 0.00 0.00 61.98 59.06 3g33 s VAL 101 Cb -0.17 -0.55 -0.17 0.00 -1.53 0.00 0.00 36.38 33.96 3g33 s VAL 101 CO 0.14 -0.02 1.59 0.44 -3.33 0.00 0.00 175.10 173.92 3g33 h ASP 102 N 8.30 -1.08 -3.09 3.54 5.19 -1.98 -3.44 116.42 123.87 3g33 h ASP 102 Ca -0.16 0.07 -0.53 0.00 -0.62 0.00 0.00 57.03 55.79 3g33 h ASP 102 Cb 1.13 0.33 0.01 0.00 0.18 0.00 0.00 39.33 40.98 3g33 h ASP 102 CO 0.20 -0.63 0.65 -1.58 -3.12 0.00 0.00 179.24 174.77 3g33 s GLN 103 N -5.98 4.37 0.41 3.56 0.74 -1.26 -4.97 119.66 116.53 3g33 s GLN 103 Ca -0.18 1.91 0.03 0.00 0.05 0.00 0.00 55.36 57.17 3g33 s GLN 103 Cb 0.04 -3.33 0.03 0.00 1.10 0.00 0.00 33.01 30.86 3g33 s GLN 103 CO 0.62 -0.36 0.28 -0.40 -0.55 0.00 0.00 175.29 174.87 3g33 n ASP 104 N 4.09 2.38 0.06 6.67 5.75 -1.26 -0.42 116.55 133.82 3g33 n ASP 104 Ca 0.10 -2.44 -0.05 0.00 -0.01 0.00 0.00 54.79 52.40 3g33 n ASP 104 Cb 0.44 -0.00 0.16 0.00 -1.03 0.00 0.00 41.12 40.69 3g33 n ASP 104 CO 0.00 0.00 0.00 0.25 -0.11 0.00 0.00 177.20 177.34 3g33 h LEU 105 N 0.00 0.37 -0.23 -2.12 6.46 -0.73 -1.88 115.31 117.18 3g33 h LEU 105 Ca -0.27 -0.17 -0.02 0.00 -0.12 0.00 0.00 57.88 57.30 3g33 h LEU 105 Cb 0.95 -0.10 -0.01 0.00 -0.73 0.00 0.00 40.66 40.77 3g33 h LEU 105 CO 0.42 0.78 0.06 0.03 -0.62 0.00 0.00 178.44 179.11 3g33 h ARG 106 N 0.28 0.36 0.00 1.25 3.08 -1.86 -0.39 114.38 117.10 3g33 h ARG 106 Ca 0.02 -0.09 -0.03 0.00 0.07 0.00 0.00 59.98 59.95 3g33 h ARG 106 Cb 0.92 -0.05 -0.00 0.00 0.08 0.00 0.00 29.97 30.92 3g33 h ARG 106 CO 0.08 0.47 -0.14 1.79 -1.07 0.00 0.00 179.97 181.10 3g33 h THR 107 N 0.19 0.38 -0.03 2.04 1.35 -1.87 0.45 112.91 115.42 3g33 h THR 107 Ca 0.07 -0.84 -0.24 0.00 -0.55 0.00 0.00 66.41 64.85 3g33 h THR 107 Cb 0.27 1.62 0.01 0.00 -1.73 0.00 0.00 68.15 68.32 3g33 h THR 107 CO 0.00 0.14 -0.95 0.22 -0.25 0.00 0.00 175.52 174.67 3g33 h TYR 108 N 0.00 0.89 0.00 4.73 3.20 -0.97 -2.71 116.97 122.11 3g33 h TYR 108 Ca -0.00 -0.47 -0.06 0.00 3.14 0.00 0.00 58.73 61.34 3g33 h TYR 108 Cb 0.61 -0.11 -0.01 0.00 1.54 0.00 0.00 36.73 38.76 3g33 h TYR 108 CO 0.00 1.29 -0.43 -0.07 -1.64 0.00 0.00 178.16 177.32 3g33 h LEU 109 N 0.36 0.00 -0.71 2.82 3.38 -0.77 -3.29 115.31 117.11 3g33 h LEU 109 Ca -0.10 0.00 -0.13 0.00 0.09 0.00 0.00 57.88 57.74 3g33 h LEU 109 Cb 1.59 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 42.33 3g33 h LEU 109 CO 0.18 0.29 -0.44 -0.78 0.09 0.00 0.00 178.44 177.77 3g33 h ASP 110 N 0.00 0.49 -2.21 -0.43 1.82 -0.05 -2.99 116.42 113.05 3g33 h ASP 110 Ca -0.01 -0.23 -0.77 0.00 -0.39 0.00 0.00 57.03 55.62 3g33 h ASP 110 Cb 1.23 -0.14 -0.29 0.00 0.68 0.00 0.00 39.33 40.81 3g33 h ASP 110 CO 0.04 0.87 0.81 2.29 -1.61 0.00 0.00 179.24 181.63 3g33 n LYS 111 N -4.00 4.81 -5.12 0.28 2.85 -1.03 -4.97 118.16 110.97 3g33 n LYS 111 Ca -0.02 -4.54 -0.32 0.00 -1.05 0.00 0.00 58.31 52.38 3g33 n LYS 111 Cb 0.53 -2.41 -0.17 0.00 -0.65 0.00 0.00 35.03 32.33 3g33 n LYS 111 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 3g33 s ALA 112 N -4.19 2.23 1.23 0.58 0.00 -1.13 -4.96 121.76 115.52 3g33 s ALA 112 Ca 0.42 -0.97 -0.17 0.00 0.00 0.00 0.00 51.96 51.24 3g33 s ALA 112 Cb 0.24 -0.88 0.30 0.00 0.00 0.00 0.00 23.12 22.78 3g33 s ALA 112 CO -0.17 0.26 1.02 -2.14 0.00 0.00 0.00 175.76 174.73 3g33 s PRO 113 N 0.38 -1.46 0.13 0.00 0.02 -1.26 -4.79 135.00 128.02 3g33 s PRO 113 Ca -0.17 0.36 -0.29 0.00 0.02 0.00 0.00 61.00 60.92 3g33 s PRO 113 Cb -0.18 -1.53 -0.08 0.00 0.02 0.00 0.00 34.50 32.73 3g33 s PRO 113 CO 0.08 -3.96 1.50 -1.35 -0.33 0.00 0.00 177.00 172.93 3g33 h PRO 114 N -2.78 -0.19 -0.19 5.54 0.11 -2.02 0.15 132.00 132.63 3g33 h PRO 114 Ca -0.52 0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.60 3g33 h PRO 114 Cb 1.33 0.04 0.00 0.00 0.11 0.00 0.00 31.00 32.48 3g33 h PRO 114 CO 0.42 -0.13 0.00 -2.30 -0.21 0.00 0.00 178.00 175.78 3g33 n PRO 115 N -5.11 0.64 0.00 1.05 -0.02 -1.26 -4.95 135.00 125.34 3g33 n PRO 115 Ca -0.01 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.47 3g33 n PRO 115 Cb 0.28 -1.10 0.00 0.00 -0.02 0.00 0.00 33.50 32.66 3g33 n PRO 115 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3g33 n GLY 116 N 0.15 1.69 3.79 -1.23 0.00 0.53 -4.60 105.19 105.52 3g33 n GLY 116 Ca 0.00 -0.54 -0.37 0.00 0.00 0.00 0.00 46.02 45.10 3g33 n GLY 116 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3g33 s LEU 117 N 0.00 4.37 1.08 0.99 1.43 -1.26 -4.49 118.68 120.80 3g33 s LEU 117 Ca 0.00 0.78 -0.15 0.00 -1.03 0.00 0.00 54.13 53.73 3g33 s LEU 117 Cb 0.00 -2.52 0.14 0.00 0.03 0.00 0.00 46.19 43.84 3g33 s LEU 117 CO 0.00 0.20 0.41 -2.65 0.23 0.00 0.00 176.35 174.54 3g33 n PRO 118 N 2.69 -1.45 -0.05 1.29 -0.02 -1.26 -4.63 135.00 131.57 3g33 n PRO 118 Ca -0.12 -0.39 0.03 0.00 -2.02 0.00 0.00 63.50 60.99 3g33 n PRO 118 Cb 0.52 -1.89 0.37 0.00 -0.02 0.00 0.00 33.50 32.48 3g33 n PRO 118 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3g33 h ALA 119 N -2.10 1.62 0.04 3.55 0.00 -1.97 -2.34 119.26 118.05 3g33 h ALA 119 Ca -0.53 -0.05 -0.23 0.00 0.00 0.00 0.00 54.91 54.11 3g33 h ALA 119 Cb 1.33 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.91 3g33 h ALA 119 CO 0.40 0.34 -1.02 0.93 0.00 0.00 0.00 179.25 179.90 3g33 h GLU 120 N 0.67 0.20 -0.16 0.00 4.39 -1.98 -1.99 114.58 115.70 3g33 h GLU 120 Ca 0.18 -0.27 -0.08 0.00 0.34 0.00 0.00 59.36 59.53 3g33 h GLU 120 Cb -0.05 0.09 -0.00 0.00 -0.10 0.00 0.00 28.75 28.69 3g33 h GLU 120 CO -0.04 1.06 -0.20 1.15 -1.16 0.00 0.00 179.01 179.82 3g33 h THR 121 N 0.08 1.35 -0.31 1.13 2.02 -1.81 -0.91 112.91 114.47 3g33 h THR 121 Ca -0.07 -1.39 -0.10 0.00 0.77 0.00 0.00 66.41 65.62 3g33 h THR 121 Cb 1.71 1.88 -0.01 0.00 -1.74 0.00 0.00 68.15 69.99 3g33 h THR 121 CO 0.16 0.41 -0.21 0.40 0.37 0.00 0.00 175.52 176.65 3g33 h ILE 122 N 0.05 1.26 -0.09 3.11 2.04 -1.53 -1.76 117.51 120.60 3g33 h ILE 122 Ca 0.02 -1.24 0.02 0.00 1.00 0.00 0.00 64.86 64.65 3g33 h ILE 122 Cb 0.75 1.26 -0.02 0.00 -0.74 0.00 0.00 36.82 38.08 3g33 h ILE 122 CO 0.05 0.40 -0.01 0.50 0.00 0.00 0.00 178.15 179.09 3g33 h LYS 123 N 0.51 0.01 -0.44 2.37 3.64 -1.23 -0.60 116.57 120.84 3g33 h LYS 123 Ca 0.08 -0.00 -0.02 0.00 -1.27 0.00 0.00 60.65 59.44 3g33 h LYS 123 Cb 0.65 -0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 32.45 3g33 h LYS 123 CO 0.05 0.01 0.21 0.22 -2.27 0.00 0.00 179.45 177.66 3g33 h ASP 124 N 0.01 0.57 -0.87 4.20 3.58 -1.02 -1.11 116.42 121.77 3g33 h ASP 124 Ca 0.04 -0.13 0.03 0.00 0.42 0.00 0.00 57.03 57.39 3g33 h ASP 124 Cb 0.06 -0.15 -0.05 0.00 1.72 0.00 0.00 39.33 40.91 3g33 h ASP 124 CO -0.08 0.54 0.57 -0.07 -2.88 0.00 0.00 179.24 177.31 3g33 h LEU 125 N 0.56 0.95 -0.89 2.28 4.07 -1.09 -1.65 115.31 119.54 3g33 h LEU 125 Ca 0.15 -0.01 -0.12 0.00 0.08 0.00 0.00 57.88 57.98 3g33 h LEU 125 Cb 0.12 -0.22 -0.02 0.00 1.08 0.00 0.00 40.66 41.62 3g33 h LEU 125 CO -0.02 0.66 -0.55 0.24 -1.08 0.00 0.00 178.44 177.69 3g33 h MET 126 N 1.11 0.00 -0.07 1.13 2.86 -0.86 -1.74 114.93 117.35 3g33 h MET 126 Ca 0.34 0.00 -0.02 0.00 -2.06 0.00 0.00 59.70 57.97 3g33 h MET 126 Cb -0.02 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 31.64 3g33 h MET 126 CO -0.11 0.55 -0.02 -0.09 1.06 0.00 0.00 176.91 178.30 3g33 h ARG 127 N 0.00 0.14 -0.03 1.72 2.43 -0.33 -1.85 114.38 116.46 3g33 h ARG 127 Ca -0.01 -0.06 -0.09 0.00 -0.81 0.00 0.00 59.98 59.02 3g33 h ARG 127 Cb 0.98 -0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 30.51 3g33 h ARG 127 CO 0.07 0.49 -0.40 1.96 -1.51 0.00 0.00 179.97 180.58 3g33 h GLN 128 N -0.21 0.06 -0.51 0.20 4.20 -1.34 -1.20 115.11 116.31 3g33 h GLN 128 Ca 0.02 -0.03 -0.08 0.00 0.06 0.00 0.00 58.65 58.62 3g33 h GLN 128 Cb 0.44 -0.00 -0.02 0.00 0.30 0.00 0.00 27.48 28.20 3g33 h GLN 128 CO 0.01 0.46 -0.02 0.35 -0.67 0.00 0.00 178.83 178.95 3g33 h PHE 129 N 0.06 0.95 0.00 2.96 3.57 -1.17 -2.50 116.94 120.80 3g33 h PHE 129 Ca 0.00 -0.15 -0.07 0.00 3.53 0.00 0.00 57.97 61.29 3g33 h PHE 129 Cb 0.73 -0.25 -0.01 0.00 2.79 0.00 0.00 35.95 39.21 3g33 h PHE 129 CO 0.00 0.87 -0.74 -0.07 -2.23 0.00 0.00 178.31 176.14 3g33 h LEU 130 N 0.81 0.00 -0.25 0.59 3.38 -1.11 -2.98 115.31 115.75 3g33 h LEU 130 Ca 0.15 0.00 -0.07 0.00 0.09 0.00 0.00 57.88 58.05 3g33 h LEU 130 Cb 0.51 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.25 3g33 h LEU 130 CO 0.03 0.27 -0.10 0.03 0.09 0.00 0.00 178.44 178.76 3g33 h ARG 131 N 0.00 0.51 -0.30 1.13 3.08 -1.04 -1.41 114.38 116.35 3g33 h ARG 131 Ca -0.04 -0.21 -0.16 0.00 0.07 0.00 0.00 59.98 59.64 3g33 h ARG 131 Cb 1.24 -0.02 -0.01 0.00 0.08 0.00 0.00 29.97 31.27 3g33 h ARG 131 CO 0.03 0.76 -0.46 0.78 -1.07 0.00 0.00 179.97 180.01 3g33 h GLY 132 N 0.24 0.86 0.87 0.04 0.00 -1.55 -2.36 103.07 101.17 3g33 h GLY 132 Ca 0.06 -0.92 -0.01 0.00 0.00 0.00 0.00 47.33 46.46 3g33 h GLY 132 CO 0.03 0.83 0.05 -2.00 0.00 0.00 0.00 176.54 175.45 3g33 h LEU 133 N 0.63 0.16 -1.25 3.11 5.85 -1.52 -0.42 115.31 121.86 3g33 h LEU 133 Ca 0.04 -0.16 0.05 0.00 0.84 0.00 0.00 57.88 58.65 3g33 h LEU 133 Cb 1.03 -0.04 -0.05 0.00 0.37 0.00 0.00 40.66 41.97 3g33 h LEU 133 CO 0.10 0.27 0.53 -0.78 -0.34 0.00 0.00 178.44 178.22 3g33 h ASP 134 N 0.03 0.82 -0.36 1.25 3.58 -1.26 -0.36 116.42 120.12 3g33 h ASP 134 Ca 0.04 -0.00 -0.02 0.00 0.42 0.00 0.00 57.03 57.47 3g33 h ASP 134 Cb 0.16 -0.18 -0.02 0.00 1.72 0.00 0.00 39.33 41.02 3g33 h ASP 134 CO -0.00 0.54 0.16 0.15 -2.88 0.00 0.00 179.24 177.22 3g33 h PHE 135 N 0.94 0.52 -0.49 0.28 3.57 -0.99 -0.40 116.94 120.36 3g33 h PHE 135 Ca 0.33 -0.03 0.02 0.00 3.53 0.00 0.00 57.97 61.82 3g33 h PHE 135 Cb 0.13 -0.16 -0.03 0.00 2.79 0.00 0.00 35.95 38.68 3g33 h PHE 135 CO -0.00 0.46 0.30 -0.07 -2.23 0.00 0.00 178.31 176.76 3g33 h LEU 136 N 0.44 0.48 -1.22 0.59 4.07 -0.06 -2.38 115.31 117.23 3g33 h LEU 136 Ca 0.12 0.00 -0.08 0.00 0.08 0.00 0.00 57.88 58.01 3g33 h LEU 136 Cb 0.14 -0.10 -0.01 0.00 1.08 0.00 0.00 40.66 41.77 3g33 h LEU 136 CO -0.01 0.34 -0.38 0.45 -1.08 0.00 0.00 178.44 177.76 3g33 h HIS 137 N 0.59 0.00 -0.03 1.13 3.86 -0.90 -0.23 115.15 119.56 3g33 h HIS 137 Ca 0.20 0.00 -0.08 0.00 -1.16 0.00 0.00 60.37 59.32 3g33 h HIS 137 Cb 0.01 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 28.47 3g33 h HIS 137 CO -0.07 0.38 -0.36 0.00 0.86 0.00 0.00 177.93 178.74 3g33 h ALA 138 N 1.62 1.33 -0.53 2.45 0.00 -0.59 -2.68 119.26 120.87 3g33 h ALA 138 Ca -0.00 -0.35 0.00 0.00 0.00 0.00 0.00 54.91 54.56 3g33 h ALA 138 Cb 0.71 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.43 3g33 h ALA 138 CO 0.05 0.49 0.00 0.09 0.00 0.00 0.00 179.25 179.88 3g33 n ASN 139 N -4.09 5.06 -3.08 0.00 3.02 -0.87 -4.93 115.26 110.37 3g33 n ASN 139 Ca -0.02 -2.74 -0.20 0.00 -0.03 0.00 0.00 54.58 51.60 3g33 n ASN 139 Cb 0.41 -0.64 0.07 0.00 -0.61 0.00 0.00 39.78 39.01 3g33 n ASN 139 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3g33 s ILE 141 N -3.27 1.62 -0.32 0.00 1.01 -0.15 -5.02 121.20 115.07 3g33 s ILE 141 Ca 0.46 -0.68 -0.07 0.00 0.00 0.00 0.00 60.65 60.36 3g33 s ILE 141 Cb -0.20 -1.50 0.03 0.00 0.01 0.00 0.00 42.46 40.79 3g33 s ILE 141 CO 0.61 0.47 0.11 -0.69 0.00 0.00 0.00 174.94 175.43 3g33 s VAL 142 N 1.34 3.96 -0.43 2.92 1.01 -1.26 -3.63 120.40 124.31 3g33 s VAL 142 Ca 0.02 -0.91 -0.28 0.00 0.00 0.00 0.00 61.98 60.81 3g33 s VAL 142 Cb -0.13 -3.16 -0.01 0.00 0.00 0.00 0.00 36.38 33.08 3g33 s VAL 142 CO -0.09 -0.08 1.71 -2.28 0.00 0.00 0.00 175.10 174.37 3g33 s HIS 143 N 1.46 1.92 -0.88 5.22 2.46 -1.26 -4.77 115.29 119.43 3g33 s HIS 143 Ca 0.01 0.66 0.25 0.00 0.47 0.00 0.00 55.06 56.45 3g33 s HIS 143 Cb -0.18 -4.17 0.99 0.00 -0.13 0.00 0.00 32.58 29.09 3g33 s HIS 143 CO 0.03 -2.53 1.79 0.54 -2.47 0.00 0.00 174.74 172.09 3g33 n ARG 144 N 8.56 0.09 -3.08 2.88 5.12 -1.26 -4.40 116.66 124.57 3g33 n ARG 144 Ca 0.20 0.14 -0.12 0.00 -1.93 0.00 0.00 57.85 56.14 3g33 n ARG 144 Cb 0.48 -1.61 -0.04 0.00 -1.16 0.00 0.00 32.46 30.13 3g33 n ARG 144 CO 0.00 0.00 0.00 0.34 -1.93 0.00 0.00 177.63 176.04 3g33 s ASP 145 N -3.51 -0.22 0.32 0.55 2.15 -1.26 -4.97 116.67 109.73 3g33 s ASP 145 Ca 0.11 -2.01 -0.26 0.00 0.43 0.00 0.00 52.55 50.82 3g33 s ASP 145 Cb 0.15 1.02 -0.10 0.00 -0.30 0.00 0.00 42.92 43.69 3g33 s ASP 145 CO 0.49 -0.13 0.95 -0.76 -0.17 0.00 0.00 175.17 175.55 3g33 s LEU 146 N 0.82 4.36 -0.23 -1.34 1.43 -1.26 -4.96 118.68 117.50 3g33 s LEU 146 Ca 0.27 1.87 -0.30 0.00 -1.03 0.00 0.00 54.13 54.95 3g33 s LEU 146 Cb -0.02 -3.98 0.16 0.00 0.03 0.00 0.00 46.19 42.38 3g33 s LEU 146 CO -0.09 -0.07 1.19 -1.59 0.23 0.00 0.00 176.35 176.01 3g33 s LYS 147 N -1.99 0.31 0.51 1.70 -2.85 -1.26 -4.80 119.74 111.36 3g33 s LYS 147 Ca 0.50 0.07 0.14 0.00 -1.00 0.00 0.00 55.97 55.68 3g33 s LYS 147 Cb -0.20 0.15 0.76 0.00 -2.06 0.00 0.00 37.83 36.48 3g33 s LYS 147 CO 0.25 -0.10 1.36 -1.35 0.10 0.00 0.00 175.35 175.61 3g33 h PRO 148 N 2.29 0.00 -0.05 1.78 0.11 -1.96 0.24 132.00 134.41 3g33 h PRO 148 Ca -0.13 0.00 -0.21 0.00 0.11 0.00 0.00 66.00 65.77 3g33 h PRO 148 Cb 1.18 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.29 3g33 h PRO 148 CO 0.26 0.00 -0.84 1.49 -0.21 0.00 0.00 178.00 178.70 3g33 h GLU 149 N 0.00 0.48 -0.33 1.05 4.81 -1.97 -2.29 114.58 116.34 3g33 h GLU 149 Ca 0.00 -0.45 0.00 0.00 -0.13 0.00 0.00 59.36 58.78 3g33 h GLU 149 Cb 1.04 0.11 0.00 0.00 0.63 0.00 0.00 28.75 30.53 3g33 h GLU 149 CO 0.00 1.09 0.00 0.27 -0.73 0.00 0.00 179.01 179.64 3g33 n ASN 150 N -3.82 2.88 -4.32 1.04 0.23 0.80 -4.78 115.26 107.29 3g33 n ASN 150 Ca -0.06 -1.95 -0.47 0.00 -0.53 0.00 0.00 54.58 51.57 3g33 n ASN 150 Cb 0.78 -0.22 -0.02 0.00 -2.08 0.00 0.00 39.78 38.23 3g33 n ASN 150 CO 0.00 0.00 0.00 -0.63 -0.93 0.00 0.00 177.26 175.70 3g33 s ILE 151 N -1.00 5.55 0.27 1.53 1.01 -0.88 -1.85 121.20 125.84 3g33 s ILE 151 Ca 0.23 -2.47 -0.24 0.00 0.00 0.00 0.00 60.65 58.17 3g33 s ILE 151 Cb 0.12 -4.43 -0.09 0.00 0.01 0.00 0.00 42.46 38.07 3g33 s ILE 151 CO 0.16 -1.02 0.86 -0.76 0.00 0.00 0.00 174.94 174.18 3g33 s LEU 152 N 0.18 4.37 -0.15 2.97 1.43 -0.58 -1.74 118.68 125.16 3g33 s LEU 152 Ca 0.18 1.69 0.00 0.00 -1.03 0.00 0.00 54.13 54.97 3g33 s LEU 152 Cb -0.11 -3.80 0.02 0.00 0.03 0.00 0.00 46.19 42.33 3g33 s LEU 152 CO -0.09 -0.00 -0.13 -0.69 0.23 0.00 0.00 176.35 175.68 3g33 s VAL 153 N -1.53 1.47 0.85 -1.59 1.01 0.45 -0.48 120.40 120.58 3g33 s VAL 153 Ca 0.46 -0.61 -0.11 0.00 0.00 0.00 0.00 61.98 61.72 3g33 s VAL 153 Cb -0.19 -1.42 0.10 0.00 0.00 0.00 0.00 36.38 34.87 3g33 s VAL 153 CO 0.23 0.41 1.09 0.28 0.00 0.00 0.00 175.10 177.12 3g33 s THR 154 N 1.52 2.89 0.53 3.92 -1.32 -0.61 -4.14 115.64 118.44 3g33 s THR 154 Ca 0.04 0.29 0.25 0.00 -1.21 0.00 0.00 61.69 61.06 3g33 s THR 154 Cb -0.13 -2.87 0.31 0.00 -1.51 0.00 0.00 72.50 68.29 3g33 s THR 154 CO -0.10 -0.38 2.17 0.77 -2.21 0.00 0.00 174.62 174.88 3g33 h SER 155 N -1.33 0.00 0.90 8.08 4.64 -1.94 -1.18 113.55 122.71 3g33 h SER 155 Ca -0.48 0.00 -0.03 0.00 -0.47 0.00 0.00 61.79 60.81 3g33 h SER 155 Cb 1.27 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.36 3g33 h SER 155 CO 0.56 0.04 -0.14 1.23 -0.87 0.00 0.00 176.83 177.65 3g33 h GLY 156 N 0.20 0.00 0.00 -0.77 0.00 -2.04 -3.46 103.07 97.00 3g33 h GLY 156 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 3g33 h GLY 156 CO 0.01 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.16 3g33 n GLY 157 N 0.03 0.84 3.75 4.60 0.00 -0.45 -5.09 105.19 108.87 3g33 n GLY 157 Ca 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.62 3g33 n GLY 157 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3g33 s THR 158 N -2.00 4.33 -0.26 2.61 2.01 -1.26 -4.84 115.64 116.23 3g33 s THR 158 Ca 0.00 1.95 -0.15 0.00 0.31 0.00 0.00 61.69 63.80 3g33 s THR 158 Cb 0.00 -4.26 -0.04 0.00 0.01 0.00 0.00 72.50 68.21 3g33 s THR 158 CO 0.00 0.44 0.39 -0.69 -0.69 0.00 0.00 174.62 174.07 3g33 s VAL 159 N -0.71 5.16 -0.17 3.82 1.01 -1.26 -1.57 120.40 126.69 3g33 s VAL 159 Ca 0.41 0.62 0.01 0.00 0.00 0.00 0.00 61.98 63.02 3g33 s VAL 159 Cb -0.24 -3.72 0.02 0.00 0.00 0.00 0.00 36.38 32.45 3g33 s VAL 159 CO 0.29 0.16 -0.17 -0.54 0.00 0.00 0.00 175.10 174.84 3g33 s LYS 160 N 2.02 2.60 0.43 2.72 1.02 0.37 -4.06 119.74 124.84 3g33 s LYS 160 Ca 0.16 -0.70 -0.22 0.00 0.02 0.00 0.00 55.97 55.23 3g33 s LYS 160 Cb -0.16 -2.33 -0.10 0.00 -0.52 0.00 0.00 37.83 34.72 3g33 s LYS 160 CO 0.10 -0.23 1.00 -0.51 -0.92 0.00 0.00 175.35 174.78 3g33 s LEU 161 N 1.39 4.01 0.23 3.17 1.43 -0.29 -1.52 118.68 127.10 3g33 s LEU 161 Ca 0.05 1.85 -0.02 0.00 -1.03 0.00 0.00 54.13 54.97 3g33 s LEU 161 Cb -0.13 -4.40 -0.03 0.00 0.03 0.00 0.00 46.19 41.66 3g33 s LEU 161 CO -0.12 -0.47 0.23 0.00 0.23 0.00 0.00 176.35 176.23 3g33 s ALA 162 N -1.94 0.96 -1.32 4.21 0.00 -0.77 0.83 121.76 123.73 3g33 s ALA 162 Ca 0.61 -1.58 -0.03 0.00 0.00 0.00 0.00 51.96 50.96 3g33 s ALA 162 Cb -0.15 1.33 0.01 0.00 0.00 0.00 0.00 23.12 24.31 3g33 s ALA 162 CO 0.19 -0.66 0.89 -0.25 0.00 0.00 0.00 175.76 175.93 3g33 n ASP 163 N -0.51 -2.63 0.00 0.00 8.00 -1.26 -4.82 116.55 115.32 3g33 n ASP 163 Ca 0.02 -0.72 0.00 0.00 0.71 0.00 0.00 54.79 54.80 3g33 n ASP 163 Cb 0.65 -4.46 0.00 0.00 -0.02 0.00 0.00 41.12 37.28 3g33 n ASP 163 CO 0.00 0.00 0.00 2.22 -0.39 0.00 0.00 177.20 179.03 3g33 n PHE 164 N -4.39 0.00 -1.55 1.24 1.16 -1.26 -4.72 117.46 107.94 3g33 n PHE 164 Ca -0.21 0.00 -0.29 0.00 -1.87 0.00 0.00 57.45 55.09 3g33 n PHE 164 Cb 0.64 -0.06 -0.06 0.00 -1.61 0.00 0.00 39.48 38.40 3g33 n PHE 164 CO 0.00 0.00 0.00 0.41 -1.87 0.00 0.00 176.76 175.30 3g33 n GLY 165 N 2.06 4.41 2.02 4.97 0.00 -1.26 -4.46 105.19 112.92 3g33 n GLY 165 Ca 0.00 -1.84 -0.25 0.00 0.00 0.00 0.00 46.02 43.93 3g33 n GLY 165 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3g33 n LEU 166 N 1.35 5.85 0.14 0.99 4.77 -1.26 -4.80 117.00 124.03 3g33 n LEU 166 Ca 0.53 -4.43 -0.10 0.00 -0.03 0.00 0.00 56.01 51.97 3g33 n LEU 166 Cb 0.51 -0.62 -0.06 0.00 -2.33 0.00 0.00 43.42 40.92 3g33 n LEU 166 CO 0.41 1.75 0.33 0.00 -1.33 0.00 0.00 177.39 178.54 3g33 h ALA 167 N 1.93 -0.42 -0.00 -1.18 0.00 -1.96 -3.18 119.26 114.44 3g33 h ALA 167 Ca 0.44 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 55.18 3g33 h ALA 167 Cb 1.32 0.16 0.00 0.00 0.00 0.00 0.00 17.79 19.27 3g33 h ALA 167 CO 1.01 -0.44 -0.05 0.54 0.00 0.00 0.00 179.25 180.31 3g33 n ARG 168 N -5.06 0.27 0.07 0.00 1.74 -1.26 -2.87 116.66 109.55 3g33 n ARG 168 Ca -0.08 -0.03 0.02 0.00 -0.77 0.00 0.00 57.85 56.99 3g33 n ARG 168 Cb 0.24 -1.50 -0.04 0.00 -1.02 0.00 0.00 32.46 30.14 3g33 n ARG 168 CO 0.00 0.00 0.00 0.82 -1.52 0.00 0.00 177.63 176.93 3g33 h ILE 169 N 0.08 0.54 -0.01 0.55 2.04 -1.90 -3.36 117.51 115.45 3g33 h ILE 169 Ca 0.00 -1.94 0.00 0.00 1.00 0.00 0.00 64.86 63.92 3g33 h ILE 169 Cb 0.39 2.09 0.00 0.00 -0.74 0.00 0.00 36.82 38.56 3g33 h ILE 169 CO 0.00 0.31 -0.10 -1.22 0.00 0.00 0.00 178.15 177.14 3g33 n TYR 170 N -2.96 0.00 -0.16 1.37 4.02 -1.20 -4.53 117.16 113.69 3g33 n TYR 170 Ca -0.05 0.00 -0.09 0.00 -0.01 0.00 0.00 57.90 57.75 3g33 n TYR 170 Cb 0.78 0.00 0.01 0.00 -0.02 0.00 0.00 39.34 40.10 3g33 n TYR 170 CO 0.00 0.00 0.00 0.77 -1.01 0.00 0.00 176.86 176.62 3g33 h SER 171 N 2.07 0.67 0.20 7.72 0.02 -1.67 0.21 113.55 122.76 3g33 h SER 171 Ca 0.00 -0.19 -0.01 0.00 -0.84 0.00 0.00 61.79 60.75 3g33 h SER 171 Cb 0.49 -0.18 0.00 0.00 0.14 0.00 0.00 62.40 62.86 3g33 h SER 171 CO 0.00 0.68 -0.09 0.22 -1.14 0.00 0.00 176.83 176.50 3g33 h TYR 172 N 0.63 -0.24 0.74 3.45 3.20 -1.80 -1.89 116.97 121.06 3g33 h TYR 172 Ca 0.16 -0.01 -0.03 0.00 3.14 0.00 0.00 58.73 61.99 3g33 h TYR 172 Cb 0.23 0.08 -0.00 0.00 1.54 0.00 0.00 36.73 38.58 3g33 h TYR 172 CO 0.01 -0.09 -0.43 1.96 -1.64 0.00 0.00 178.16 177.97 3g33 h GLN 173 N -0.34 -1.06 -0.77 1.82 4.20 -1.78 -2.60 115.11 114.58 3g33 h GLN 173 Ca -0.03 0.07 0.16 0.00 0.06 0.00 0.00 58.65 58.91 3g33 h GLN 173 Cb 0.26 0.24 -0.10 0.00 0.30 0.00 0.00 27.48 28.18 3g33 h GLN 173 CO 0.04 -0.70 0.28 0.52 -0.67 0.00 0.00 178.83 178.30 3g33 h MET 174 N -1.10 0.39 -0.13 1.46 2.86 -1.00 0.40 114.93 117.81 3g33 h MET 174 Ca -0.10 -0.02 0.04 0.00 -2.06 0.00 0.00 59.70 57.56 3g33 h MET 174 Cb 0.87 -0.09 -0.01 0.00 0.06 0.00 0.00 31.60 32.44 3g33 h MET 174 CO 0.11 0.26 0.09 0.00 1.06 0.00 0.00 176.91 178.43 3g33 h ALA 175 N 1.59 2.11 -0.01 6.32 0.00 -1.22 -1.91 119.26 126.13 3g33 h ALA 175 Ca 0.44 -0.00 -0.13 0.00 0.00 0.00 0.00 54.91 55.21 3g33 h ALA 175 Cb 0.71 0.01 0.01 0.00 0.00 0.00 0.00 17.79 18.52 3g33 h ALA 175 CO -0.45 -0.16 -0.50 -0.07 0.00 0.00 0.00 179.25 178.07 3g33 h LEU 176 N 0.00 0.47 -7.91 0.00 3.38 0.11 -3.42 115.31 107.94 3g33 h LEU 176 Ca 0.06 -0.75 -0.69 0.00 0.09 0.00 0.00 57.88 56.59 3g33 h LEU 176 Cb 0.24 -0.14 -0.34 0.00 0.09 0.00 0.00 40.66 40.52 3g33 h LEU 176 CO -0.00 1.15 -0.59 -0.89 0.09 0.00 0.00 178.44 178.19 3g33 s THR 177 N -3.26 3.25 -0.27 0.22 2.01 -0.26 -5.06 115.64 112.27 3g33 s THR 177 Ca -0.14 -1.80 -0.37 0.00 0.31 0.00 0.00 61.69 59.68 3g33 s THR 177 Cb 0.03 -3.11 -0.14 0.00 0.01 0.00 0.00 72.50 69.30 3g33 s THR 177 CO 0.80 -0.50 1.93 -2.65 -0.69 0.00 0.00 174.62 173.51 3g33 n PRO 178 N 4.62 1.32 -4.08 4.92 -0.02 -1.22 -4.59 135.00 135.94 3g33 n PRO 178 Ca -0.06 0.45 -0.26 0.00 -2.02 0.00 0.00 63.50 61.61 3g33 n PRO 178 Cb 0.42 -2.32 -0.05 0.00 -0.02 0.00 0.00 33.50 31.53 3g33 n PRO 178 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 3g33 s VAL 179 N 4.93 4.53 -0.11 -1.45 1.01 -1.26 -5.12 120.40 122.92 3g33 s VAL 179 Ca 1.01 -1.06 0.03 0.00 0.00 0.00 0.00 61.98 61.96 3g33 s VAL 179 Cb -0.94 -3.31 0.01 0.00 0.00 0.00 0.00 36.38 32.14 3g33 s VAL 179 CO 0.58 -0.10 -0.19 -0.69 0.00 0.00 0.00 175.10 174.69 3g33 s VAL 180 N -1.75 1.79 0.19 2.92 1.01 -1.26 -5.14 120.40 118.16 3g33 s VAL 180 Ca 0.31 -0.83 0.06 0.00 0.00 0.00 0.00 61.98 61.52 3g33 s VAL 180 Cb -0.10 -1.59 -0.05 0.00 0.00 0.00 0.00 36.38 34.65 3g33 s VAL 180 CO 0.24 0.50 -0.12 -0.69 0.00 0.00 0.00 175.10 175.02 3g33 s VAL 181 N 0.72 1.50 -0.17 2.92 1.01 -1.26 -4.96 120.40 120.16 3g33 s VAL 181 Ca -0.11 -2.15 -0.29 0.00 0.00 0.00 0.00 61.98 59.43 3g33 s VAL 181 Cb -0.16 -2.00 -0.02 0.00 0.00 0.00 0.00 36.38 34.20 3g33 s VAL 181 CO 0.02 -0.63 1.45 -0.89 0.00 0.00 0.00 175.10 175.04 3g33 s THR 182 N -3.12 3.95 -0.30 3.92 2.01 -1.26 -4.90 115.64 115.93 3g33 s THR 182 Ca 0.21 1.12 0.10 0.00 0.31 0.00 0.00 61.69 63.43 3g33 s THR 182 Cb 0.01 -3.82 0.60 0.00 0.01 0.00 0.00 72.50 69.29 3g33 s THR 182 CO 0.05 -0.21 1.62 0.00 -0.69 0.00 0.00 174.62 175.39 3g33 n LEU 183 N 7.32 4.99 0.03 4.42 -0.00 -1.26 -4.56 117.00 127.95 3g33 n LEU 183 Ca 0.16 -3.47 -0.17 0.00 -0.00 0.00 0.00 56.01 52.53 3g33 n LEU 183 Cb 0.45 -0.68 -0.07 0.00 -0.00 0.00 0.00 43.42 43.12 3g33 n LEU 183 CO 0.61 1.00 0.17 -0.50 -0.00 0.00 0.00 177.39 178.66 3g33 h TRP 184 N 1.54 0.91 -0.39 1.47 6.55 -1.90 -3.26 115.95 120.86 3g33 h TRP 184 Ca 0.26 -0.46 0.00 0.00 0.95 0.00 0.00 58.89 59.64 3g33 h TRP 184 Cb 1.99 -0.11 0.00 0.00 -0.86 0.00 0.00 29.16 30.17 3g33 h TRP 184 CO 1.08 1.29 0.00 0.66 -1.05 0.00 0.00 178.44 180.42 3g33 n TYR 185 N -3.84 0.51 -2.01 0.49 4.01 -1.26 -4.67 117.16 110.39 3g33 n TYR 185 Ca -0.09 -0.26 -0.38 0.00 -0.16 0.00 0.00 57.90 57.02 3g33 n TYR 185 Cb 0.83 0.00 0.01 0.00 -0.31 0.00 0.00 39.34 39.87 3g33 n TYR 185 CO 0.00 0.00 0.00 1.03 -0.46 0.00 0.00 176.86 177.43 3g33 s ARG 186 N -1.49 3.57 0.33 -0.72 1.81 -1.23 -4.04 118.95 117.18 3g33 s ARG 186 Ca 0.37 2.06 -0.22 0.00 -1.72 0.00 0.00 55.73 56.22 3g33 s ARG 186 Cb 0.21 -2.44 -0.10 0.00 -0.45 0.00 0.00 34.95 32.17 3g33 s ARG 186 CO 0.29 -0.79 0.88 0.00 -0.68 0.00 0.00 175.30 175.00 3g33 s ALA 187 N -1.37 3.22 0.26 2.13 0.00 -1.26 -4.91 121.76 119.83 3g33 s ALA 187 Ca 0.65 0.36 -0.02 0.00 0.00 0.00 0.00 51.96 52.95 3g33 s ALA 187 Cb -0.36 -3.05 0.47 0.00 0.00 0.00 0.00 23.12 20.18 3g33 s ALA 187 CO 0.44 0.21 1.79 -1.35 0.00 0.00 0.00 175.76 176.85 3g33 h PRO 188 N 2.79 0.72 -0.66 0.00 0.11 -1.95 -1.57 132.00 131.43 3g33 h PRO 188 Ca -0.48 -0.04 -0.04 0.00 0.11 0.00 0.00 66.00 65.55 3g33 h PRO 188 Cb 1.19 -0.16 -0.03 0.00 0.11 0.00 0.00 31.00 32.10 3g33 h PRO 188 CO 0.64 0.47 0.27 1.05 -0.21 0.00 0.00 178.00 180.23 3g33 h GLU 189 N 0.74 0.97 -0.51 1.05 9.09 -1.93 -0.37 114.58 123.61 3g33 h GLU 189 Ca 0.43 -0.15 -0.05 0.00 0.05 0.00 0.00 59.36 59.64 3g33 h GLU 189 Cb 0.50 -0.17 -0.02 0.00 -1.65 0.00 0.00 28.75 27.41 3g33 h GLU 189 CO -0.30 0.78 0.11 0.28 0.05 0.00 0.00 179.01 179.94 3g33 h VAL 190 N 0.95 1.25 -0.15 -1.06 2.07 -1.63 2.38 116.25 120.06 3g33 h VAL 190 Ca 0.23 -0.89 -0.07 0.00 0.82 0.00 0.00 66.70 66.79 3g33 h VAL 190 Cb 0.17 0.84 -0.01 0.00 -1.52 0.00 0.00 31.29 30.77 3g33 h VAL 190 CO -0.02 0.32 -0.23 -0.07 0.02 0.00 0.00 177.57 177.59 3g33 h LEU 191 N 0.72 0.25 -3.74 2.57 3.38 -0.75 -1.81 115.31 115.93 3g33 h LEU 191 Ca 0.16 -0.07 -0.22 0.00 0.09 0.00 0.00 57.88 57.83 3g33 h LEU 191 Cb 0.36 -0.07 -0.13 0.00 0.09 0.00 0.00 40.66 40.91 3g33 h LEU 191 CO 0.00 0.49 0.28 0.18 0.09 0.00 0.00 178.44 179.49 3g33 n LEU 192 N -4.18 6.09 -3.94 1.67 4.77 -0.21 -4.94 117.00 116.27 3g33 n LEU 192 Ca -0.01 -3.25 -0.31 0.00 -0.03 0.00 0.00 56.01 52.42 3g33 n LEU 192 Cb 0.35 -0.75 -0.02 0.00 -2.33 0.00 0.00 43.42 40.67 3g33 n LEU 192 CO 0.39 0.82 -0.20 0.00 -1.33 0.00 0.00 177.39 177.08 3g33 n GLN 193 N -0.20 -0.60 -0.46 3.23 6.02 -0.68 -4.46 117.38 120.22 3g33 n GLN 193 Ca 0.41 -0.05 -0.06 0.00 -0.01 0.00 0.00 57.00 57.29 3g33 n GLN 193 Cb 1.39 -1.89 0.04 0.00 1.02 0.00 0.00 30.24 30.81 3g33 n GLN 193 CO 0.00 0.00 0.00 -1.13 -1.01 0.00 0.00 177.06 174.92 3g33 n SER 194 N -1.54 0.04 -4.55 1.08 3.41 0.79 -4.92 113.62 107.93 3g33 n SER 194 Ca -0.13 -1.12 -0.41 0.00 -0.26 0.00 0.00 58.87 56.95 3g33 n SER 194 Cb 0.44 -0.22 -0.03 0.00 -0.26 0.00 0.00 64.21 64.14 3g33 n SER 194 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 3g33 s THR 195 N -1.58 3.73 1.00 6.66 2.01 -1.26 -4.82 115.64 121.38 3g33 s THR 195 Ca 0.17 0.22 -0.18 0.00 0.31 0.00 0.00 61.69 62.21 3g33 s THR 195 Cb -0.00 -4.90 -0.13 0.00 0.01 0.00 0.00 72.50 67.48 3g33 s THR 195 CO 0.12 -1.83 -0.74 -1.22 -0.69 0.00 0.00 174.62 170.26 3g33 n TYR 196 N 9.47 -4.31 -3.53 4.92 4.02 -1.26 -5.01 117.16 121.46 3g33 n TYR 196 Ca 0.09 0.07 -0.04 0.00 -0.01 0.00 0.00 57.90 58.01 3g33 n TYR 196 Cb 0.49 -1.47 0.02 0.00 -0.02 0.00 0.00 39.34 38.36 3g33 n TYR 196 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 3g33 n ALA 197 N -2.77 -1.19 0.05 -0.72 0.00 -1.26 -5.05 120.51 109.57 3g33 n ALA 197 Ca -0.01 -0.71 -0.20 0.00 0.00 0.00 0.00 53.44 52.52 3g33 n ALA 197 Cb 0.58 0.53 -0.13 0.00 0.00 0.00 0.00 19.45 20.43 3g33 n ALA 197 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.50 178.65 3g33 h THR 198 N 1.58 1.40 0.00 0.00 2.02 -1.98 -3.28 112.91 112.65 3g33 h THR 198 Ca -0.19 -2.37 0.00 0.00 0.77 0.00 0.00 66.41 64.62 3g33 h THR 198 Cb 0.72 2.83 0.00 0.00 -1.74 0.00 0.00 68.15 69.96 3g33 h THR 198 CO 0.24 0.70 0.02 -2.65 0.37 0.00 0.00 175.52 174.19 3g33 n PRO 199 N -4.02 0.00 0.17 6.66 -0.02 -1.26 -1.51 135.00 135.02 3g33 n PRO 199 Ca -0.13 0.19 0.05 0.00 -2.02 0.00 0.00 63.50 61.60 3g33 n PRO 199 Cb 0.85 -1.52 0.50 0.00 -0.02 0.00 0.00 33.50 33.31 3g33 n PRO 199 CO 0.00 0.00 0.00 0.28 1.98 0.00 0.00 175.50 177.76 3g33 h VAL 200 N 0.00 1.10 -0.33 -1.45 2.07 -1.95 -2.62 116.25 113.08 3g33 h VAL 200 Ca 0.00 -0.40 -0.10 0.00 0.82 0.00 0.00 66.70 67.03 3g33 h VAL 200 Cb 0.03 1.06 -0.01 0.00 -1.52 0.00 0.00 31.29 30.86 3g33 h VAL 200 CO 0.00 0.13 -0.18 0.44 0.02 0.00 0.00 177.57 177.97 3g33 h ASP 201 N 0.15 0.72 -0.30 0.57 3.32 -1.52 -3.21 116.42 116.15 3g33 h ASP 201 Ca 0.03 -0.42 0.06 0.00 0.02 0.00 0.00 57.03 56.73 3g33 h ASP 201 Cb 0.17 -0.20 -0.01 0.00 0.22 0.00 0.00 39.33 39.51 3g33 h ASP 201 CO 0.01 0.98 0.21 0.24 -1.72 0.00 0.00 179.24 178.96 3g33 h MET 202 N 0.47 0.11 -0.64 3.56 2.86 -1.66 0.13 114.93 119.76 3g33 h MET 202 Ca 0.07 -0.01 -0.06 0.00 -2.06 0.00 0.00 59.70 57.64 3g33 h MET 202 Cb 0.72 -0.02 -0.03 0.00 0.06 0.00 0.00 31.60 32.33 3g33 h MET 202 CO 0.05 0.07 0.16 2.35 1.06 0.00 0.00 176.91 180.61 3g33 h TRP 203 N 0.11 1.06 0.00 -0.22 2.91 -1.57 -2.31 115.95 115.93 3g33 h TRP 203 Ca 0.14 -0.12 -0.07 0.00 1.13 0.00 0.00 58.89 59.97 3g33 h TRP 203 Cb 0.40 -0.30 -0.01 0.00 -0.51 0.00 0.00 29.16 28.74 3g33 h TRP 203 CO -0.00 0.88 -0.33 0.77 -1.03 0.00 0.00 178.44 178.73 3g33 h SER 204 N 0.93 0.00 -0.27 2.65 0.02 -1.09 -2.29 113.55 113.50 3g33 h SER 204 Ca 0.20 0.00 -0.08 0.00 -0.84 0.00 0.00 61.79 61.07 3g33 h SER 204 Cb 0.34 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 62.87 3g33 h SER 204 CO 0.00 0.33 -0.09 0.58 -1.14 0.00 0.00 176.83 176.51 3g33 h VAL 205 N 0.00 1.24 -0.30 2.27 2.07 -0.84 -2.68 116.25 118.01 3g33 h VAL 205 Ca -0.00 -1.07 -0.11 0.00 0.82 0.00 0.00 66.70 66.34 3g33 h VAL 205 Cb 0.58 1.05 -0.01 0.00 -1.52 0.00 0.00 31.29 31.40 3g33 h VAL 205 CO 0.04 0.36 -0.24 1.23 0.02 0.00 0.00 177.57 178.99 3g33 h GLY 206 N 0.96 0.75 1.51 2.17 0.00 -0.92 -0.71 103.07 106.84 3g33 h GLY 206 Ca 0.11 -0.74 -0.04 0.00 0.00 0.00 0.00 47.33 46.66 3g33 h GLY 206 CO 0.03 0.67 0.07 0.00 0.00 0.00 0.00 176.54 177.31 3g33 h ILE 208 N 0.60 1.33 -0.19 0.00 2.04 -1.45 -2.85 117.51 116.98 3g33 h ILE 208 Ca 0.13 -3.02 -0.05 0.00 1.00 0.00 0.00 64.86 62.92 3g33 h ILE 208 Cb 0.27 2.75 -0.01 0.00 -0.74 0.00 0.00 36.82 39.09 3g33 h ILE 208 CO 0.00 0.82 -0.12 0.15 0.00 0.00 0.00 178.15 179.00 3g33 h PHE 209 N 0.03 0.33 0.01 1.37 3.57 -0.92 -2.42 116.94 118.91 3g33 h PHE 209 Ca -0.16 -0.04 -0.20 0.00 3.53 0.00 0.00 57.97 61.10 3g33 h PHE 209 Cb 1.93 -0.09 -0.02 0.00 2.79 0.00 0.00 35.95 40.56 3g33 h PHE 209 CO 0.03 0.43 -0.94 0.00 -2.23 0.00 0.00 178.31 175.60 3g33 h ALA 210 N 1.58 0.45 0.00 2.41 0.00 -1.42 -3.15 119.26 119.14 3g33 h ALA 210 Ca 0.06 -0.82 0.00 0.00 0.00 0.00 0.00 54.91 54.15 3g33 h ALA 210 Cb 0.40 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.07 3g33 h ALA 210 CO 0.02 1.09 0.00 1.49 0.00 0.00 0.00 179.25 181.85 3g33 h GLU 211 N 0.03 0.00 0.00 0.00 4.81 -1.20 -2.25 114.58 115.97 3g33 h GLU 211 Ca -0.03 0.00 -0.11 0.00 -0.13 0.00 0.00 59.36 59.09 3g33 h GLU 211 Cb 1.64 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 31.00 3g33 h GLU 211 CO 0.13 0.00 -0.52 0.52 -0.73 0.00 0.00 179.01 178.41 3g33 h MET 212 N 0.00 0.00 -0.54 1.92 2.86 -1.42 0.19 114.93 117.94 3g33 h MET 212 Ca 0.00 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.64 3g33 h MET 212 Cb 0.47 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.13 3g33 h MET 212 CO 0.00 0.52 0.00 1.19 1.06 0.00 0.00 176.91 179.68 3g33 n PHE 213 N -3.53 1.22 0.00 -0.22 3.72 -0.86 -4.54 117.46 113.25 3g33 n PHE 213 Ca -0.00 -0.63 0.00 0.00 -0.05 0.00 0.00 57.45 56.77 3g33 n PHE 213 Cb 0.61 -0.21 0.00 0.00 -0.94 0.00 0.00 39.48 38.94 3g33 n PHE 213 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 176.76 177.25 3g33 n ARG 214 N 0.78 0.15 -2.42 -1.08 1.74 -1.10 -4.66 116.66 110.07 3g33 n ARG 214 Ca 0.23 0.00 -0.18 0.00 -0.77 0.00 0.00 57.85 57.13 3g33 n ARG 214 Cb 0.81 -0.65 -0.00 0.00 -1.02 0.00 0.00 32.46 31.60 3g33 n ARG 214 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 3g33 n ARG 215 N -1.69 -1.83 -3.57 5.56 1.74 0.65 -4.98 116.66 112.54 3g33 n ARG 215 Ca 0.00 0.83 -0.02 0.00 -0.77 0.00 0.00 57.85 57.90 3g33 n ARG 215 Cb 0.15 -5.32 -0.05 0.00 -1.02 0.00 0.00 32.46 26.21 3g33 n ARG 215 CO 0.00 0.00 0.00 0.21 -1.52 0.00 0.00 177.63 176.32 3g33 s LYS 216 N -4.97 0.43 0.33 5.56 2.20 -1.26 -5.07 119.74 116.97 3g33 s LYS 216 Ca 0.04 0.89 -0.18 0.00 -0.36 0.00 0.00 55.97 56.36 3g33 s LYS 216 Cb -0.02 0.32 -0.13 0.00 -1.51 0.00 0.00 37.83 36.49 3g33 s LYS 216 CO 0.05 -0.12 0.09 -2.30 -0.36 0.00 0.00 175.35 172.71 3g33 n PRO 217 N 4.45 0.00 0.02 4.03 -0.02 -1.26 -4.75 135.00 137.47 3g33 n PRO 217 Ca -0.15 0.00 -0.06 0.00 -2.02 0.00 0.00 63.50 61.27 3g33 n PRO 217 Cb 0.55 -0.84 -0.05 0.00 -0.02 0.00 0.00 33.50 33.15 3g33 n PRO 217 CO 0.00 0.00 0.00 1.25 1.98 0.00 0.00 175.50 178.73 3g33 h LEU 218 N 0.29 -0.15 -9.27 2.45 5.85 -1.94 -3.46 115.31 109.09 3g33 h LEU 218 Ca -0.31 -0.22 -0.67 0.00 0.84 0.00 0.00 57.88 57.52 3g33 h LEU 218 Cb 1.21 0.04 -0.16 0.00 0.37 0.00 0.00 40.66 42.12 3g33 h LEU 218 CO 0.40 0.42 -0.66 -0.36 -0.34 0.00 0.00 178.44 177.90 3g33 s PHE 219 N -2.49 3.04 -0.28 1.25 0.08 -1.26 -5.09 117.98 113.22 3g33 s PHE 219 Ca -0.08 0.08 -0.04 0.00 0.12 0.00 0.00 56.93 57.01 3g33 s PHE 219 Cb -0.00 -1.69 0.10 0.00 -0.57 0.00 0.00 43.02 40.86 3g33 s PHE 219 CO 0.27 0.42 0.15 0.00 -0.10 0.00 0.00 175.22 175.96 3g33 s GLY 221 N 2.14 1.72 -0.01 0.00 0.00 -1.26 -4.91 107.32 105.00 3g33 s GLY 221 Ca 0.09 -0.99 -0.23 0.00 0.00 0.00 0.00 44.72 43.59 3g33 s GLY 221 CO -0.34 -0.83 0.94 -0.57 0.00 0.00 0.00 173.10 172.29 3g33 h ASN 222 N 4.74 -0.67 -1.33 1.64 -1.24 -1.99 -3.45 115.58 113.28 3g33 h ASN 222 Ca -0.48 0.01 0.00 0.00 0.71 0.00 0.00 56.30 56.54 3g33 h ASN 222 Cb 1.17 0.17 0.00 0.00 0.73 0.00 0.00 38.32 40.39 3g33 h ASN 222 CO 0.53 -0.27 0.00 -1.54 -1.29 0.00 0.00 177.43 174.86 3g33 n SER 223 N -5.30 1.78 -0.02 1.15 3.41 -1.26 -5.00 113.62 108.38 3g33 n SER 223 Ca -0.10 -0.11 -0.13 0.00 -0.26 0.00 0.00 58.87 58.27 3g33 n SER 223 Cb 0.32 0.00 -0.10 0.00 -0.26 0.00 0.00 64.21 64.17 3g33 n SER 223 CO 0.00 0.00 0.00 -0.33 -0.16 0.00 0.00 175.04 174.55 3g33 h GLU 224 N 0.00 0.07 -0.85 4.33 5.08 -1.96 -2.54 114.58 118.70 3g33 h GLU 224 Ca 0.00 -0.04 0.02 0.00 -1.00 0.00 0.00 59.36 58.34 3g33 h GLU 224 Cb 0.00 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.21 3g33 h GLU 224 CO 0.00 0.58 0.56 0.00 -1.00 0.00 0.00 179.01 179.15 3g33 h ALA 225 N 0.49 1.43 -0.25 3.43 0.00 -1.97 -2.09 119.26 120.30 3g33 h ALA 225 Ca 0.00 -0.05 -0.10 0.00 0.00 0.00 0.00 54.91 54.76 3g33 h ALA 225 Cb 0.57 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 18.02 3g33 h ALA 225 CO 0.01 0.51 -0.28 0.22 0.00 0.00 0.00 179.25 179.71 3g33 h ASP 226 N 1.11 0.49 -0.69 0.00 3.58 -1.95 -2.75 116.42 116.22 3g33 h ASP 226 Ca 0.32 -0.18 -0.04 0.00 0.42 0.00 0.00 57.03 57.56 3g33 h ASP 226 Cb -0.07 -0.13 -0.03 0.00 1.72 0.00 0.00 39.33 40.82 3g33 h ASP 226 CO -0.08 0.76 0.28 -0.61 -2.88 0.00 0.00 179.24 176.71 3g33 h GLN 227 N 0.42 1.03 -0.65 0.28 5.75 -0.94 -2.38 115.11 118.62 3g33 h GLN 227 Ca 0.06 -0.18 -0.04 0.00 -0.15 0.00 0.00 58.65 58.33 3g33 h GLN 227 Cb 0.71 -0.17 -0.03 0.00 1.07 0.00 0.00 27.48 29.06 3g33 h GLN 227 CO 0.05 0.85 0.23 -0.07 -2.65 0.00 0.00 178.83 177.25 3g33 h LEU 228 N 0.98 0.92 -0.68 -2.39 -0.00 -1.38 -2.83 115.31 109.92 3g33 h LEU 228 Ca 0.23 -0.19 0.09 0.00 -0.00 0.00 0.00 57.88 58.01 3g33 h LEU 228 Cb 0.20 -0.24 -0.07 0.00 -0.00 0.00 0.00 40.66 40.55 3g33 h LEU 228 CO -0.02 0.86 0.33 1.23 -0.00 0.00 0.00 178.44 180.84 3g33 h GLY 229 N 0.93 1.01 1.93 0.83 0.00 -1.14 -0.18 103.07 106.44 3g33 h GLY 229 Ca 0.21 -0.20 -0.08 0.00 0.00 0.00 0.00 47.33 47.27 3g33 h GLY 229 CO -0.01 0.04 -0.33 0.50 0.00 0.00 0.00 176.54 176.74 3g33 h LYS 230 N 0.56 0.09 0.00 4.80 1.79 -1.34 -3.07 116.57 119.39 3g33 h LYS 230 Ca 0.34 -0.03 -0.03 0.00 -2.18 0.00 0.00 60.65 58.74 3g33 h LYS 230 Cb 0.36 -0.01 0.00 0.00 -1.58 0.00 0.00 32.23 31.01 3g33 h LYS 230 CO -0.27 0.41 -0.13 0.82 -1.08 0.00 0.00 179.45 179.20 3g33 h ILE 231 N 0.08 1.59 0.00 1.86 2.04 -0.88 -3.29 117.51 118.90 3g33 h ILE 231 Ca 0.01 -1.92 -0.01 0.00 1.00 0.00 0.00 64.86 63.94 3g33 h ILE 231 Cb 0.63 2.84 -0.00 0.00 -0.74 0.00 0.00 36.82 39.55 3g33 h ILE 231 CO 0.05 0.51 -0.05 -0.26 0.00 0.00 0.00 178.15 178.39 3g33 h PHE 232 N -0.64 0.00 0.00 1.37 0.04 -1.14 -2.31 116.94 114.25 3g33 h PHE 232 Ca -0.02 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.75 3g33 h PHE 232 Cb 0.91 0.00 0.00 0.00 2.20 0.00 0.00 35.95 39.06 3g33 h PHE 232 CO 0.19 0.05 0.00 -0.25 -0.60 0.00 0.00 178.31 177.71 3g33 n ASP 233 N -3.30 0.00 0.02 2.17 8.00 -1.16 -1.79 116.55 120.48 3g33 n ASP 233 Ca -0.01 -0.42 -0.00 0.00 0.71 0.00 0.00 54.79 55.06 3g33 n ASP 233 Cb 0.23 -0.15 -0.00 0.00 -0.02 0.00 0.00 41.12 41.18 3g33 n ASP 233 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 3g33 n LEU 234 N -1.15 0.52 0.21 0.64 4.77 -0.89 -4.78 117.00 116.32 3g33 n LEU 234 Ca 0.15 0.07 0.12 0.00 -0.03 0.00 0.00 56.01 56.32 3g33 n LEU 234 Cb 0.14 -0.16 0.18 0.00 -2.33 0.00 0.00 43.42 41.25 3g33 n LEU 234 CO 0.17 -0.32 0.80 0.16 -1.33 0.00 0.00 177.39 176.87 3g33 h ILE 235 N -0.02 0.00 0.00 -0.08 3.07 -1.64 -2.17 117.51 116.66 3g33 h ILE 235 Ca -0.01 -0.97 0.00 0.00 1.55 0.00 0.00 64.86 65.43 3g33 h ILE 235 Cb 0.59 1.97 0.00 0.00 -0.27 0.00 0.00 36.82 39.10 3g33 h ILE 235 CO -0.01 0.00 0.00 0.61 -1.05 0.00 0.00 178.15 177.70 3g33 n GLY 236 N 1.11 0.32 3.71 0.16 0.00 -0.74 -4.07 105.19 105.68 3g33 n GLY 236 Ca 0.04 -1.64 -0.42 0.00 0.00 0.00 0.00 46.02 44.00 3g33 n GLY 236 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3g33 s LEU 237 N -1.32 4.36 0.80 0.99 2.96 0.46 -4.82 118.68 122.10 3g33 s LEU 237 Ca 0.00 2.41 -0.12 0.00 -0.22 0.00 0.00 54.13 56.19 3g33 s LEU 237 Cb 0.00 -3.58 0.08 0.00 0.50 0.00 0.00 46.19 43.19 3g33 s LEU 237 CO 0.00 -0.76 1.15 -2.84 -1.32 0.00 0.00 176.35 172.58 3g33 s PRO 238 N 1.65 1.84 0.96 0.98 0.02 -1.26 -4.83 135.00 134.36 3g33 s PRO 238 Ca 0.68 1.52 -0.12 0.00 0.02 0.00 0.00 61.00 63.10 3g33 s PRO 238 Cb -0.38 -1.82 0.17 0.00 0.02 0.00 0.00 34.50 32.48 3g33 s PRO 238 CO 0.30 -2.01 1.11 -1.25 -0.33 0.00 0.00 177.00 174.83 3g33 s PRO 239 N -4.40 0.71 0.27 5.54 0.04 -1.26 -4.86 135.00 131.04 3g33 s PRO 239 Ca 0.68 0.40 -0.00 0.00 0.04 0.00 0.00 61.00 62.11 3g33 s PRO 239 Cb -0.23 -1.78 0.39 0.00 0.04 0.00 0.00 34.50 32.91 3g33 s PRO 239 CO 0.52 -2.52 1.76 0.93 0.04 0.00 0.00 177.00 177.73 3g33 h GLU 240 N -1.73 0.68 0.00 4.56 5.08 -1.95 -2.27 114.58 118.95 3g33 h GLU 240 Ca -0.53 -0.20 0.00 0.00 -1.00 0.00 0.00 59.36 57.63 3g33 h GLU 240 Cb 1.33 -0.07 0.00 0.00 0.50 0.00 0.00 28.75 30.51 3g33 h GLU 240 CO 0.60 0.74 0.00 0.38 -1.00 0.00 0.00 179.01 179.73 3g33 h ASP 241 N 0.63 0.00 0.73 1.42 3.04 -2.02 -3.19 116.42 117.04 3g33 h ASP 241 Ca 0.12 0.00 0.00 0.00 -3.24 0.00 0.00 57.03 53.91 3g33 h ASP 241 Cb 0.49 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 38.78 3g33 h ASP 241 CO 0.03 0.00 -0.99 0.47 -2.04 0.00 0.00 179.24 176.70 3g33 n ASP 242 N -2.82 0.68 -4.70 4.15 8.00 -0.94 -4.88 116.55 116.04 3g33 n ASP 242 Ca 0.04 0.10 -0.41 0.00 0.71 0.00 0.00 54.79 55.23 3g33 n ASP 242 Cb 0.44 0.59 -0.04 0.00 -0.02 0.00 0.00 41.12 42.09 3g33 n ASP 242 CO 0.00 0.00 0.00 0.86 -0.39 0.00 0.00 177.20 177.67 3g33 s TRP 243 N -3.28 3.58 1.12 1.24 -0.11 -0.90 -4.78 118.94 115.82 3g33 s TRP 243 Ca 0.02 1.48 -0.13 0.00 1.22 0.00 0.00 56.10 58.69 3g33 s TRP 243 Cb 0.12 -3.01 0.26 0.00 -1.50 0.00 0.00 33.47 29.34 3g33 s TRP 243 CO 0.79 -0.04 1.05 -2.14 -4.62 0.00 0.00 176.95 171.99 3g33 s PRO 244 N 1.22 -0.57 0.16 5.86 0.02 -1.26 -5.00 135.00 135.43 3g33 s PRO 244 Ca 0.45 0.66 0.06 0.00 0.02 0.00 0.00 61.00 62.20 3g33 s PRO 244 Cb -0.19 -1.61 -0.04 0.00 0.02 0.00 0.00 34.50 32.68 3g33 s PRO 244 CO 0.22 -3.44 0.03 1.03 -0.33 0.00 0.00 177.00 174.51 3g33 s ARG 245 N -4.66 2.54 -0.82 5.54 3.00 -1.26 -4.80 118.95 118.50 3g33 s ARG 245 Ca 0.67 -1.02 -0.02 0.00 0.00 0.00 0.00 55.73 55.36 3g33 s ARG 245 Cb -0.22 -2.45 -0.02 0.00 0.00 0.00 0.00 34.95 32.26 3g33 s ARG 245 CO 0.62 0.47 0.75 -0.25 0.00 0.00 0.00 175.30 176.89 3g33 n ASP 246 N -0.11 -7.25 -4.31 0.23 8.00 -1.26 -5.02 116.55 106.83 3g33 n ASP 246 Ca -0.09 -0.28 -0.16 0.00 0.71 0.00 0.00 54.79 54.97 3g33 n ASP 246 Cb 0.55 -5.15 -0.10 0.00 -0.02 0.00 0.00 41.12 36.40 3g33 n ASP 246 CO 0.00 0.00 0.00 0.68 -0.39 0.00 0.00 177.20 177.49 3g33 s VAL 247 N -3.13 0.87 -0.01 2.53 -7.23 -1.26 -4.98 120.40 107.20 3g33 s VAL 247 Ca 0.15 -2.01 -0.19 0.00 -1.81 0.00 0.00 61.98 58.11 3g33 s VAL 247 Cb -0.02 -2.34 -0.30 0.00 0.56 0.00 0.00 36.38 34.28 3g33 s VAL 247 CO 0.72 -0.31 0.99 0.77 -0.31 0.00 0.00 175.10 176.96 3g33 h SER 248 N 2.51 0.61 -3.54 4.85 4.64 -1.92 -3.44 113.55 117.27 3g33 h SER 248 Ca -0.38 -0.89 -0.61 0.00 -0.47 0.00 0.00 61.79 59.44 3g33 h SER 248 Cb 1.22 -0.20 -0.13 0.00 -0.31 0.00 0.00 62.40 62.99 3g33 h SER 248 CO 0.64 1.45 -0.31 -0.76 -0.87 0.00 0.00 176.83 176.97 3g33 s LEU 249 N -7.93 4.13 0.57 5.97 1.43 -1.26 -5.08 118.68 116.51 3g33 s LEU 249 Ca -0.12 0.35 -0.07 0.00 -1.03 0.00 0.00 54.13 53.27 3g33 s LEU 249 Cb 0.03 -2.36 -0.01 0.00 0.03 0.00 0.00 46.19 43.87 3g33 s LEU 249 CO 0.86 -0.04 0.90 -2.16 0.23 0.00 0.00 176.35 176.15 3g33 s PRO 250 N 1.29 3.16 0.35 1.29 0.04 -1.26 -4.99 135.00 134.88 3g33 s PRO 250 Ca 0.15 0.18 0.17 0.00 0.04 0.00 0.00 61.00 61.53 3g33 s PRO 250 Cb -0.14 -2.26 0.61 0.00 0.04 0.00 0.00 34.50 32.75 3g33 s PRO 250 CO 0.07 -0.58 1.71 -0.09 0.04 0.00 0.00 177.00 178.15 3g33 h ARG 251 N -0.12 0.00 0.00 4.56 2.43 -1.98 -3.00 114.38 116.27 3g33 h ARG 251 Ca -0.46 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 58.71 3g33 h ARG 251 Cb 1.23 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.78 3g33 h ARG 251 CO 0.61 0.42 0.00 0.41 -1.51 0.00 0.00 179.97 179.91 3g33 n GLY 252 N 0.23 -1.05 0.00 2.80 0.00 -1.26 -2.73 105.19 103.18 3g33 n GLY 252 Ca -0.00 -0.08 0.15 0.00 0.00 0.00 0.00 46.02 46.09 3g33 n GLY 252 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3g33 n ALA 253 N -1.40 2.64 -2.63 4.61 0.00 -1.13 -4.77 120.51 117.83 3g33 n ALA 253 Ca 0.07 -0.19 -0.21 0.00 0.00 0.00 0.00 53.44 53.11 3g33 n ALA 253 Cb 0.19 -1.50 -0.13 0.00 0.00 0.00 0.00 19.45 18.01 3g33 n ALA 253 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.50 177.44 3g33 s PHE 254 N -2.02 1.32 0.26 0.00 0.40 -1.11 -5.09 117.98 111.75 3g33 s PHE 254 Ca 0.46 -0.37 -0.29 0.00 -0.60 0.00 0.00 56.93 56.12 3g33 s PHE 254 Cb 0.21 -0.78 -0.09 0.00 0.51 0.00 0.00 43.02 42.87 3g33 s PHE 254 CO 0.36 0.05 1.19 -2.14 0.70 0.00 0.00 175.22 175.38 3g33 s PRO 255 N -1.25 4.52 -0.20 0.24 0.02 -1.26 -4.93 135.00 132.13 3g33 s PRO 255 Ca 0.02 1.94 -0.29 0.00 0.02 0.00 0.00 61.00 62.69 3g33 s PRO 255 Cb -0.08 -3.18 -0.06 0.00 0.02 0.00 0.00 34.50 31.20 3g33 s PRO 255 CO 0.02 0.00 2.19 -2.30 -0.33 0.00 0.00 177.00 176.58 3g33 n PRO 256 N 1.58 2.01 -4.23 5.54 -0.02 -1.26 -4.86 135.00 133.76 3g33 n PRO 256 Ca 0.01 0.58 -0.31 0.00 -2.02 0.00 0.00 63.50 61.76 3g33 n PRO 256 Cb 0.44 -3.17 -0.09 0.00 -0.02 0.00 0.00 33.50 30.66 3g33 n PRO 256 CO 0.00 0.00 0.00 1.03 1.98 0.00 0.00 175.50 178.51 3g33 s ARG 257 N 6.13 2.44 0.27 -0.52 1.81 -1.26 -4.95 118.95 122.87 3g33 s ARG 257 Ca 1.00 -0.86 0.07 0.00 -1.72 0.00 0.00 55.73 54.22 3g33 s ARG 257 Cb -0.38 -2.47 -0.03 0.00 -0.45 0.00 0.00 34.95 31.62 3g33 s ARG 257 CO 0.37 0.55 0.25 0.20 -0.68 0.00 0.00 175.30 175.98 3g33 s GLY 258 N -2.05 1.45 0.21 -3.53 0.00 -1.26 -0.40 107.32 101.74 3g33 s GLY 258 Ca 0.22 -1.44 -0.32 0.00 0.00 0.00 0.00 44.72 43.19 3g33 s GLY 258 CO 0.14 -1.45 1.70 -1.05 0.00 0.00 0.00 173.10 172.44 3g33 n PRO 259 N -1.26 2.70 -4.05 2.90 -0.02 -1.26 -4.04 135.00 129.97 3g33 n PRO 259 Ca -0.07 0.97 -0.24 0.00 -2.02 0.00 0.00 63.50 62.15 3g33 n PRO 259 Cb 0.58 -2.80 -0.04 0.00 -0.02 0.00 0.00 33.50 31.22 3g33 n PRO 259 CO 0.00 0.00 0.00 1.03 1.98 0.00 0.00 175.50 178.51 3g33 s ARG 260 N 1.01 3.10 0.11 -0.52 0.52 -0.82 -4.98 118.95 117.37 3g33 s ARG 260 Ca 0.75 -0.86 -0.33 0.00 -0.52 0.00 0.00 55.73 54.77 3g33 s ARG 260 Cb -0.53 -2.72 -0.13 0.00 0.52 0.00 0.00 34.95 32.10 3g33 s ARG 260 CO 0.34 0.46 1.71 -2.30 0.02 0.00 0.00 175.30 175.53 3g33 n PRO 261 N -0.82 2.38 -0.02 3.54 -0.02 -1.26 -4.91 135.00 133.89 3g33 n PRO 261 Ca -0.08 0.86 -0.17 0.00 -2.02 0.00 0.00 63.50 62.10 3g33 n PRO 261 Cb 0.56 -2.69 -0.09 0.00 -0.02 0.00 0.00 33.50 31.26 3g33 n PRO 261 CO 0.00 0.00 0.00 0.28 1.98 0.00 0.00 175.50 177.76 3g33 h VAL 262 N 4.23 1.36 0.00 -1.45 2.07 -1.95 -3.21 116.25 117.31 3g33 h VAL 262 Ca -0.46 -1.90 0.00 0.00 0.82 0.00 0.00 66.70 65.16 3g33 h VAL 262 Cb 1.24 2.25 0.00 0.00 -1.52 0.00 0.00 31.29 33.26 3g33 h VAL 262 CO 0.92 0.57 0.00 1.56 0.02 0.00 0.00 177.57 180.65 3g33 h GLN 263 N 0.14 0.00 -0.05 1.57 4.20 -1.91 -2.19 115.11 116.86 3g33 h GLN 263 Ca -0.05 0.00 -0.23 0.00 0.06 0.00 0.00 58.65 58.43 3g33 h GLN 263 Cb 1.23 0.00 0.01 0.00 0.30 0.00 0.00 27.48 29.02 3g33 h GLN 263 CO 0.12 0.00 -0.89 1.03 -0.67 0.00 0.00 178.83 178.42 3g33 h SER 264 N 0.00 0.74 0.24 1.46 0.87 -1.95 -3.00 113.55 111.90 3g33 h SER 264 Ca 0.00 -0.55 -0.26 0.00 -1.23 0.00 0.00 61.79 59.75 3g33 h SER 264 Cb 0.46 -0.22 0.01 0.00 -0.44 0.00 0.00 62.40 62.21 3g33 h SER 264 CO 0.00 1.34 -1.09 0.58 -0.53 0.00 0.00 176.83 177.13 3g33 h VAL 265 N 0.37 1.35 -3.30 2.23 2.07 -1.55 -3.40 116.25 114.02 3g33 h VAL 265 Ca -0.08 -2.48 -0.62 0.00 0.82 0.00 0.00 66.70 64.34 3g33 h VAL 265 Cb 1.52 2.55 -0.40 0.00 -1.52 0.00 0.00 31.29 33.44 3g33 h VAL 265 CO 0.17 0.75 -0.71 -0.69 0.02 0.00 0.00 177.57 177.10 3g33 s VAL 266 N -3.13 1.77 0.98 2.57 1.01 -0.85 -5.09 120.40 117.65 3g33 s VAL 266 Ca -0.07 -2.40 -0.12 0.00 0.00 0.00 0.00 61.98 59.39 3g33 s VAL 266 Cb 0.07 -2.27 0.18 0.00 0.00 0.00 0.00 36.38 34.35 3g33 s VAL 266 CO 0.90 -0.74 1.08 -2.84 0.00 0.00 0.00 175.10 173.50 3g33 s PRO 267 N 0.66 0.60 -1.03 2.72 0.02 -1.14 -4.09 135.00 132.73 3g33 s PRO 267 Ca 0.14 0.84 -0.05 0.00 0.02 0.00 0.00 61.00 61.95 3g33 s PRO 267 Cb -0.22 -1.73 0.01 0.00 0.02 0.00 0.00 34.50 32.58 3g33 s PRO 267 CO -0.08 -2.70 0.71 0.39 -0.33 0.00 0.00 177.00 174.99 3g33 n GLU 268 N -4.20 -4.97 -4.51 5.54 1.02 -1.26 -4.93 120.64 107.33 3g33 n GLU 268 Ca 0.06 0.62 -0.34 0.00 -0.02 0.00 0.00 57.16 57.49 3g33 n GLU 268 Cb 0.55 -4.96 -0.12 0.00 -0.02 0.00 0.00 31.44 26.88 3g33 n GLU 268 CO 0.00 0.00 0.00 -1.64 1.18 0.00 0.00 177.13 176.67 3g33 s MET 269 N -5.74 3.52 0.99 3.49 -1.94 -1.26 -5.05 119.30 113.31 3g33 s MET 269 Ca 0.35 -0.56 -0.16 0.00 -1.71 0.00 0.00 55.69 53.61 3g33 s MET 269 Cb -0.15 -2.82 0.21 0.00 2.01 0.00 0.00 34.83 34.07 3g33 s MET 269 CO 0.43 0.28 1.29 -1.21 -0.01 0.00 0.00 175.02 175.81 3g33 s GLU 270 N 0.24 0.46 0.12 2.03 2.02 -1.26 -4.76 118.70 117.53 3g33 s GLU 270 Ca -0.04 -0.35 -0.31 0.00 0.02 0.00 0.00 54.97 54.29 3g33 s GLU 270 Cb -0.14 -1.82 -0.09 0.00 0.10 0.00 0.00 34.13 32.18 3g33 s GLU 270 CO 0.03 -2.55 1.59 0.93 0.02 0.00 0.00 175.26 175.29 3g33 h GLU 271 N -1.74 -0.59 0.00 1.61 4.39 -2.01 -1.68 114.58 114.55 3g33 h GLU 271 Ca -0.45 0.04 0.00 0.00 0.34 0.00 0.00 59.36 59.30 3g33 h GLU 271 Cb 1.24 0.13 0.00 0.00 -0.10 0.00 0.00 28.75 30.03 3g33 h GLU 271 CO 0.38 -0.40 0.00 0.43 -1.16 0.00 0.00 179.01 178.27 3g33 n SER 272 N -5.46 0.62 -0.06 1.42 7.64 -1.26 -3.46 113.62 113.07 3g33 n SER 272 Ca -0.07 0.58 -0.15 0.00 1.01 0.00 0.00 58.87 60.24 3g33 n SER 272 Cb 0.37 -0.74 -0.06 0.00 -1.01 0.00 0.00 64.21 62.78 3g33 n SER 272 CO 0.00 0.00 0.00 1.23 -3.01 0.00 0.00 175.04 173.26 3g33 h GLY 273 N 4.11 0.80 0.98 0.23 0.00 -1.68 -2.84 103.07 104.68 3g33 h GLY 273 Ca 0.00 -0.99 -0.16 0.00 0.00 0.00 0.00 47.33 46.18 3g33 h GLY 273 CO 0.00 0.89 -0.53 0.00 0.00 0.00 0.00 176.54 176.89 3g33 h ALA 274 N 0.61 0.28 0.00 3.60 0.00 -1.42 -3.02 119.26 119.31 3g33 h ALA 274 Ca -0.00 -0.51 -0.02 0.00 0.00 0.00 0.00 54.91 54.38 3g33 h ALA 274 Cb 1.13 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 18.89 3g33 h ALA 274 CO 0.11 0.48 -0.08 1.96 0.00 0.00 0.00 179.25 181.72 3g33 h GLN 275 N 0.31 0.00 0.19 0.00 4.20 -1.63 -2.66 115.11 115.53 3g33 h GLN 275 Ca -0.02 0.00 -0.30 0.00 0.06 0.00 0.00 58.65 58.38 3g33 h GLN 275 Cb 1.16 0.00 0.03 0.00 0.30 0.00 0.00 27.48 28.97 3g33 h GLN 275 CO 0.11 0.08 -1.31 1.25 -0.67 0.00 0.00 178.83 178.30 3g33 h LEU 276 N 0.00 0.82 -1.22 1.46 5.85 -1.46 -3.28 115.31 117.48 3g33 h LEU 276 Ca -0.00 -0.89 -0.08 0.00 0.84 0.00 0.00 57.88 57.76 3g33 h LEU 276 Cb 0.30 -0.26 -0.01 0.00 0.37 0.00 0.00 40.66 41.06 3g33 h LEU 276 CO 0.01 1.64 -0.31 0.25 -0.34 0.00 0.00 178.44 179.69 3g33 h LEU 277 N 0.13 0.13 -0.84 2.25 5.85 -1.35 0.26 115.31 121.74 3g33 h LEU 277 Ca -0.22 -0.04 -0.02 0.00 0.84 0.00 0.00 57.88 58.44 3g33 h LEU 277 Cb 2.01 -0.04 -0.04 0.00 0.37 0.00 0.00 40.66 42.96 3g33 h LEU 277 CO 0.25 0.45 0.43 -0.07 -0.34 0.00 0.00 178.44 179.16 3g33 h LEU 278 N 0.12 1.07 -0.16 2.25 3.38 -1.59 0.19 115.31 120.57 3g33 h LEU 278 Ca 0.02 -0.12 -0.08 0.00 0.09 0.00 0.00 57.88 57.79 3g33 h LEU 278 Cb 0.62 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 41.08 3g33 h LEU 278 CO 0.04 0.89 -0.39 -0.33 0.09 0.00 0.00 178.44 178.74 3g33 h GLU 279 N 1.18 0.00 -0.03 1.13 5.08 -1.49 -3.25 114.58 117.20 3g33 h GLU 279 Ca 0.29 0.00 -0.03 0.00 -1.00 0.00 0.00 59.36 58.62 3g33 h GLU 279 Cb 0.07 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.32 3g33 h GLU 279 CO -0.04 0.39 -0.11 0.52 -1.00 0.00 0.00 179.01 178.76 3g33 h MET 280 N 0.00 0.13 -1.20 2.33 2.86 -0.30 -3.24 114.93 115.51 3g33 h MET 280 Ca -0.00 -0.10 -0.57 0.00 -2.06 0.00 0.00 59.70 56.97 3g33 h MET 280 Cb 1.24 0.02 -0.24 0.00 0.06 0.00 0.00 31.60 32.67 3g33 h MET 280 CO 0.05 0.74 0.74 1.28 1.06 0.00 0.00 176.91 180.77 3g33 n LEU 281 N -4.65 7.31 -4.73 1.22 4.77 0.59 -4.27 117.00 117.25 3g33 n LEU 281 Ca -0.09 -4.00 -0.41 0.00 -0.03 0.00 0.00 56.01 51.49 3g33 n LEU 281 Cb 0.38 -1.01 -0.04 0.00 -2.33 0.00 0.00 43.42 40.42 3g33 n LEU 281 CO 0.37 1.41 0.73 -0.89 -1.33 0.00 0.00 177.39 177.67 3g33 s THR 282 N -4.02 4.22 0.05 -5.08 2.01 -1.22 -4.97 115.64 106.62 3g33 s THR 282 Ca 0.54 1.86 -0.24 0.00 0.31 0.00 0.00 61.69 64.16 3g33 s THR 282 Cb 0.42 -4.19 -0.17 0.00 0.01 0.00 0.00 72.50 68.58 3g33 s THR 282 CO -0.02 0.29 1.56 0.15 -0.69 0.00 0.00 174.62 175.91 3g33 h PHE 283 N 5.46 -0.00 -2.98 4.92 3.57 -1.92 -3.41 116.94 122.57 3g33 h PHE 283 Ca -0.43 -0.00 -0.57 0.00 3.53 0.00 0.00 57.97 60.50 3g33 h PHE 283 Cb 1.21 0.00 -0.04 0.00 2.79 0.00 0.00 35.95 39.91 3g33 h PHE 283 CO 0.64 0.18 0.99 1.21 -2.23 0.00 0.00 178.31 179.11 3g33 s ASN 284 N -5.38 6.68 0.55 0.41 2.47 -1.26 -4.83 114.94 113.58 3g33 s ASN 284 Ca -0.14 1.47 0.24 0.00 0.42 0.00 0.00 52.86 54.85 3g33 s ASN 284 Cb 0.04 -2.54 1.57 0.00 -1.45 0.00 0.00 41.25 38.88 3g33 s ASN 284 CO 0.67 -1.03 2.19 -0.65 -3.72 0.00 0.00 177.10 174.56 3g33 h PRO 285 N 9.33 0.00 -0.05 0.43 0.11 -1.93 -0.67 132.00 139.21 3g33 h PRO 285 Ca -0.28 0.00 -0.15 0.00 0.11 0.00 0.00 66.00 65.67 3g33 h PRO 285 Cb 1.11 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.21 3g33 h PRO 285 CO 1.01 0.02 -0.65 0.45 -0.21 0.00 0.00 178.00 178.62 3g33 h HIS 286 N 0.00 0.28 0.00 0.65 3.86 -1.96 -3.03 115.15 114.95 3g33 h HIS 286 Ca -0.00 -0.11 0.00 0.00 -1.16 0.00 0.00 60.37 59.09 3g33 h HIS 286 Cb 0.05 -0.05 0.00 0.00 1.06 0.00 0.00 27.41 28.48 3g33 h HIS 286 CO 0.00 0.80 -0.66 1.63 0.86 0.00 0.00 177.93 180.56 3g33 n LYS 287 N -3.83 0.13 -2.36 2.45 5.02 -0.60 -4.87 118.16 114.11 3g33 n LYS 287 Ca -0.02 0.02 -0.42 0.00 -2.02 0.00 0.00 58.31 55.86 3g33 n LYS 287 Cb 0.65 -1.57 -0.03 0.00 -0.02 0.00 0.00 35.03 34.06 3g33 n LYS 287 CO 0.00 0.00 0.00 0.50 -0.52 0.00 0.00 177.40 177.38 3g33 s ARG 288 N -3.08 4.29 0.37 1.97 3.52 -0.36 -4.99 118.95 120.67 3g33 s ARG 288 Ca 0.08 1.78 -0.26 0.00 -0.13 0.00 0.00 55.73 57.20 3g33 s ARG 288 Cb 0.16 -3.64 -0.09 0.00 -1.56 0.00 0.00 34.95 29.82 3g33 s ARG 288 CO 0.73 -0.57 1.15 0.96 -0.81 0.00 0.00 175.30 176.76 3g33 s ILE 289 N 2.69 3.28 1.10 4.11 -5.25 -1.22 -4.97 121.20 120.95 3g33 s ILE 289 Ca 0.59 1.12 -0.19 0.00 -0.99 0.00 0.00 60.65 61.18 3g33 s ILE 289 Cb -0.26 -3.64 0.26 0.00 2.95 0.00 0.00 42.46 41.77 3g33 s ILE 289 CO 0.22 0.14 1.25 -1.54 -1.79 0.00 0.00 174.94 173.21 3g33 n SER 290 N 0.33 -0.84 0.14 4.36 3.41 -1.26 -4.85 113.62 114.91 3g33 n SER 290 Ca 0.03 -1.36 -0.01 0.00 -0.26 0.00 0.00 58.87 57.28 3g33 n SER 290 Cb 0.46 -1.03 0.16 0.00 -0.26 0.00 0.00 64.21 63.55 3g33 n SER 290 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3g33 h ALA 291 N -2.20 0.90 -0.32 7.33 0.00 -1.96 -2.28 119.26 120.73 3g33 h ALA 291 Ca -0.43 -0.56 -0.11 0.00 0.00 0.00 0.00 54.91 53.82 3g33 h ALA 291 Cb 1.23 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.92 3g33 h ALA 291 CO 0.29 0.77 -0.22 0.35 0.00 0.00 0.00 179.25 180.44 3g33 h PHE 292 N 0.00 0.85 -0.16 0.00 3.57 -1.93 -1.76 116.94 117.51 3g33 h PHE 292 Ca -0.01 -0.23 -0.17 0.00 3.53 0.00 0.00 57.97 61.09 3g33 h PHE 292 Cb 1.14 -0.19 -0.00 0.00 2.79 0.00 0.00 35.95 39.69 3g33 h PHE 292 CO 0.00 0.96 -0.61 0.00 -2.23 0.00 0.00 178.31 176.43 3g33 h ARG 293 N 0.49 0.55 0.00 1.11 3.08 -1.92 -3.08 114.38 114.61 3g33 h ARG 293 Ca 0.06 -0.38 -0.09 0.00 0.07 0.00 0.00 59.98 59.64 3g33 h ARG 293 Cb 0.78 0.06 -0.01 0.00 0.08 0.00 0.00 29.97 30.87 3g33 h ARG 293 CO 0.06 0.99 -0.44 0.00 -1.07 0.00 0.00 179.97 179.52 3g33 h ALA 294 N 0.92 1.22 -0.09 0.04 0.00 -1.38 -2.97 119.26 117.00 3g33 h ALA 294 Ca -0.01 -0.40 -0.13 0.00 0.00 0.00 0.00 54.91 54.38 3g33 h ALA 294 Cb 1.17 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.88 3g33 h ALA 294 CO 0.11 0.55 -0.53 1.25 0.00 0.00 0.00 179.25 180.64 3g33 h LEU 295 N 0.00 0.27 -4.26 0.00 5.85 -1.23 -3.11 115.31 112.82 3g33 h LEU 295 Ca -0.00 -0.14 -0.69 0.00 0.84 0.00 0.00 57.88 57.88 3g33 h LEU 295 Cb 0.80 -0.08 -0.30 0.00 0.37 0.00 0.00 40.66 41.46 3g33 h LEU 295 CO 0.06 0.75 0.80 0.00 -0.34 0.00 0.00 178.44 179.71 3g33 n GLN 296 N -3.93 2.77 -3.40 1.25 6.02 -1.12 -4.78 117.38 114.19 3g33 n GLN 296 Ca -0.02 -3.42 -0.22 0.00 -0.01 0.00 0.00 57.00 53.32 3g33 n GLN 296 Cb 0.56 -2.28 -0.01 0.00 1.02 0.00 0.00 30.24 29.53 3g33 n GLN 296 CO 0.00 0.00 0.00 -1.58 -1.01 0.00 0.00 177.06 174.47 3g33 s HIS 297 N -3.88 3.36 0.50 1.08 2.46 -1.18 -5.00 115.29 112.64 3g33 s HIS 297 Ca 0.60 0.17 0.16 0.00 0.47 0.00 0.00 55.06 56.46 3g33 s HIS 297 Cb 0.48 -1.96 1.19 0.00 -0.13 0.00 0.00 32.58 32.17 3g33 s HIS 297 CO -0.12 0.04 2.10 0.77 -2.47 0.00 0.00 174.74 175.06 3g33 h SER 298 N 0.76 0.00 0.21 9.88 0.02 -1.93 -2.32 113.55 120.17 3g33 h SER 298 Ca -0.49 0.00 -0.14 0.00 -0.84 0.00 0.00 61.79 60.32 3g33 h SER 298 Cb 1.24 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.77 3g33 h SER 298 CO 0.59 0.06 -0.55 0.22 -1.14 0.00 0.00 176.83 176.00 3g33 h TYR 299 N 0.00 0.45 -0.02 3.45 3.20 -1.94 -3.50 116.97 118.61 3g33 h TYR 299 Ca -0.00 -0.16 0.00 0.00 3.14 0.00 0.00 58.73 61.71 3g33 h TYR 299 Cb 0.10 -0.09 0.00 0.00 1.54 0.00 0.00 36.73 38.28 3g33 h TYR 299 CO 0.00 0.83 0.00 1.28 -1.64 0.00 0.00 178.16 178.63