#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3itz s MET -2 N 0.00 3.63 0.01 -1.40 -2.45 -1.26 -5.11 119.30 112.72 3itz s MET -2 Ca 0.00 0.13 0.04 0.00 -1.25 0.00 0.00 55.69 54.61 3itz s MET -2 Cb 0.00 -2.52 -0.01 0.00 1.25 0.00 0.00 34.83 33.55 3itz s MET -2 CO 0.00 0.04 -0.11 -0.51 1.05 0.00 0.00 175.02 175.49 3itz s LEU -1 N -4.00 2.09 -0.08 4.11 1.43 -1.26 -5.13 118.68 115.84 3itz s LEU -1 Ca 0.46 -0.31 -0.22 0.00 -1.03 0.00 0.00 54.13 53.03 3itz s LEU -1 Cb -0.10 -0.52 -0.04 0.00 0.03 0.00 0.00 46.19 45.56 3itz s LEU -1 CO 0.35 0.06 0.63 -0.70 0.23 0.00 0.00 176.35 176.92 3itz s GLU 0 N -0.68 4.41 -0.16 1.70 2.56 -1.26 -4.97 118.70 120.30 3itz s GLU 0 Ca 0.02 0.75 0.18 0.00 0.00 0.00 0.00 54.97 55.92 3itz s GLU 0 Cb -0.06 -3.44 -0.25 0.00 2.00 0.00 0.00 34.13 32.38 3itz s GLU 0 CO 0.00 0.10 0.19 -0.12 -0.56 0.00 0.00 175.26 174.88 3itz n MET 1 N 3.70 0.68 -4.00 4.30 1.56 -1.26 -5.01 117.12 117.09 3itz n MET 1 Ca -0.03 0.02 -0.10 0.00 -0.27 0.00 0.00 57.70 57.32 3itz n MET 1 Cb 0.51 -1.56 -0.07 0.00 2.15 0.00 0.00 33.22 34.26 3itz n MET 1 CO 0.00 0.00 0.00 -1.54 -0.73 0.00 0.00 175.97 173.70 3itz s SER 2 N -5.49 0.01 -0.09 6.12 1.04 -1.26 -5.17 113.70 108.86 3itz s SER 2 Ca -0.09 -0.94 0.01 0.00 0.48 0.00 0.00 55.95 55.40 3itz s SER 2 Cb 0.07 0.48 -0.02 0.00 0.10 0.00 0.00 66.02 66.64 3itz s SER 2 CO 0.84 -0.96 -0.10 -1.10 0.98 0.00 0.00 173.24 172.89 3itz s GLN 3 N -4.00 2.98 0.17 4.02 -0.21 -1.26 -5.11 119.66 116.24 3itz s GLN 3 Ca 0.21 -0.63 -0.30 0.00 0.02 0.00 0.00 55.36 54.67 3itz s GLN 3 Cb 0.03 -2.58 -0.07 0.00 1.00 0.00 0.00 33.01 31.38 3itz s GLN 3 CO 0.04 0.47 1.07 -2.00 -2.12 0.00 0.00 175.29 172.75 3itz s GLU 4 N -0.30 4.62 -0.25 2.91 2.56 -1.26 -5.05 118.70 121.94 3itz s GLU 4 Ca 0.03 1.66 -0.13 0.00 0.00 0.00 0.00 54.97 56.53 3itz s GLU 4 Cb -0.13 -3.30 -0.04 0.00 2.00 0.00 0.00 34.13 32.66 3itz s GLU 4 CO 0.03 0.12 0.27 0.50 -0.56 0.00 0.00 175.26 175.61 3itz s ARG 5 N -0.32 4.05 0.94 4.30 3.52 -1.26 -5.09 118.95 125.09 3itz s ARG 5 Ca 0.49 -0.11 -0.12 0.00 -0.13 0.00 0.00 55.73 55.86 3itz s ARG 5 Cb -0.28 -3.60 0.15 0.00 -1.56 0.00 0.00 34.95 29.67 3itz s ARG 5 CO 0.34 -0.10 1.09 -1.25 -0.81 0.00 0.00 175.30 174.57 3itz s PRO 6 N 1.52 0.89 0.11 5.12 0.04 -1.26 -5.02 135.00 136.40 3itz s PRO 6 Ca 0.12 0.82 -0.27 0.00 0.04 0.00 0.00 61.00 61.70 3itz s PRO 6 Cb -0.15 -1.77 -0.06 0.00 0.04 0.00 0.00 34.50 32.56 3itz s PRO 6 CO 0.08 -2.49 0.83 0.99 0.04 0.00 0.00 177.00 176.45 3itz s THR 7 N -2.88 4.53 0.06 1.26 2.01 -1.26 -4.99 115.64 114.38 3itz s THR 7 Ca 0.64 1.80 0.05 0.00 0.31 0.00 0.00 61.69 64.49 3itz s THR 7 Cb -0.19 -4.19 -0.04 0.00 0.01 0.00 0.00 72.50 68.09 3itz s THR 7 CO 0.58 0.40 -0.05 -0.36 -0.69 0.00 0.00 174.62 174.49 3itz s PHE 8 N -0.38 2.88 0.09 4.92 0.40 -1.26 -1.32 117.98 123.32 3itz s PHE 8 Ca 0.40 -0.07 0.07 0.00 -0.60 0.00 0.00 56.93 56.74 3itz s PHE 8 Cb -0.22 -1.53 -0.03 0.00 0.51 0.00 0.00 43.02 41.74 3itz s PHE 8 CO 0.26 0.43 -0.18 1.52 0.70 0.00 0.00 175.22 177.95 3itz s TYR 9 N -1.17 1.53 0.04 0.36 1.13 -0.46 -4.92 117.35 113.87 3itz s TYR 9 Ca 0.21 -0.44 -0.00 0.00 -1.41 0.00 0.00 57.07 55.43 3itz s TYR 9 Cb -0.11 -0.84 -0.04 0.00 -1.10 0.00 0.00 41.96 39.86 3itz s TYR 9 CO 0.13 0.15 0.17 1.03 -2.51 0.00 0.00 175.55 174.52 3itz s ARG 10 N -1.90 3.32 -0.29 -3.49 0.52 -1.26 -2.46 118.95 113.40 3itz s ARG 10 Ca 0.03 -0.45 -0.15 0.00 -0.52 0.00 0.00 55.73 54.63 3itz s ARG 10 Cb -0.10 -2.99 0.11 0.00 0.52 0.00 0.00 34.95 32.49 3itz s ARG 10 CO 0.03 0.62 0.80 -1.14 0.02 0.00 0.00 175.30 175.64 3itz s GLN 11 N -2.30 0.56 -0.46 3.54 0.74 -0.52 -4.98 119.66 116.25 3itz s GLN 11 Ca 0.31 1.03 -0.19 0.00 0.05 0.00 0.00 55.36 56.56 3itz s GLN 11 Cb -0.13 0.20 0.03 0.00 1.10 0.00 0.00 33.01 34.21 3itz s GLN 11 CO 0.24 -0.13 0.57 -2.00 -0.55 0.00 0.00 175.29 173.42 3itz s GLU 12 N 1.69 3.16 -0.03 1.67 2.12 -1.26 0.10 118.70 126.15 3itz s GLU 12 Ca -0.09 -0.68 -0.02 0.00 0.36 0.00 0.00 54.97 54.54 3itz s GLU 12 Cb -0.05 -4.01 -0.01 0.00 0.26 0.00 0.00 34.13 30.32 3itz s GLU 12 CO -0.18 -1.03 -0.04 1.28 -0.54 0.00 0.00 175.26 174.75 3itz n LEU 13 N 6.00 0.22 -2.24 2.70 4.32 -0.83 -4.80 117.00 122.37 3itz n LEU 13 Ca -0.05 0.04 -0.29 0.00 -0.02 0.00 0.00 56.01 55.69 3itz n LEU 13 Cb 0.47 -0.09 0.13 0.00 -1.62 0.00 0.00 43.42 42.30 3itz n LEU 13 CO 0.51 0.06 1.33 0.59 -1.22 0.00 0.00 177.39 178.67 3itz n ASN 14 N -3.14 5.71 0.00 -1.43 5.03 -1.26 -4.79 115.26 115.38 3itz n ASN 14 Ca -0.06 -3.71 0.00 0.00 0.87 0.00 0.00 54.58 51.68 3itz n ASN 14 Cb 0.54 -0.89 0.00 0.00 -1.02 0.00 0.00 39.78 38.41 3itz n ASN 14 CO 0.00 0.00 0.00 0.29 -1.83 0.00 0.00 177.26 175.72 3itz n LYS 15 N -1.03 -0.18 -4.44 3.52 4.76 -1.26 -5.00 118.16 114.54 3itz n LYS 15 Ca 0.60 0.04 -0.26 0.00 -2.87 0.00 0.00 58.31 55.83 3itz n LYS 15 Cb 1.14 -3.18 -0.11 0.00 -1.84 0.00 0.00 35.03 31.03 3itz n LYS 15 CO 0.00 0.00 0.00 0.95 -1.37 0.00 0.00 177.40 176.98 3itz s THR 16 N -2.71 2.38 -0.33 -0.18 -4.23 -1.26 -5.11 115.64 104.19 3itz s THR 16 Ca 0.00 -2.13 -0.24 0.00 -1.18 0.00 0.00 61.69 58.13 3itz s THR 16 Cb 0.00 -2.17 0.01 0.00 1.34 0.00 0.00 72.50 71.68 3itz s THR 16 CO 0.00 -0.20 0.83 -0.63 -0.54 0.00 0.00 174.62 174.09 3itz s ILE 17 N -1.90 4.72 -0.18 2.99 1.01 -1.26 -1.96 121.20 124.62 3itz s ILE 17 Ca 0.23 1.15 -0.16 0.00 0.00 0.00 0.00 60.65 61.88 3itz s ILE 17 Cb -0.07 -4.22 -0.04 0.00 0.01 0.00 0.00 42.46 38.14 3itz s ILE 17 CO 0.11 -0.37 0.39 0.26 0.00 0.00 0.00 174.94 175.33 3itz s TRP 18 N 3.14 3.42 -0.27 3.97 0.52 0.29 -4.90 118.94 125.11 3itz s TRP 18 Ca 0.34 0.66 0.02 0.00 0.02 0.00 0.00 56.10 57.14 3itz s TRP 18 Cb -0.13 -2.49 0.06 0.00 -1.15 0.00 0.00 33.47 29.76 3itz s TRP 18 CO 0.15 0.08 -0.09 -2.00 0.02 0.00 0.00 176.95 175.10 3itz s GLU 19 N 1.00 2.27 0.08 4.98 2.12 -1.26 -1.44 118.70 126.45 3itz s GLU 19 Ca 0.20 -1.34 0.04 0.00 0.36 0.00 0.00 54.97 54.23 3itz s GLU 19 Cb -0.14 -2.93 -0.03 0.00 0.26 0.00 0.00 34.13 31.28 3itz s GLU 19 CO 0.07 -0.58 -0.12 0.14 -0.54 0.00 0.00 175.26 174.23 3itz s VAL 20 N 1.12 1.02 0.48 3.70 -7.23 -1.03 -4.59 120.40 113.88 3itz s VAL 20 Ca -0.08 -1.43 -0.24 0.00 -1.81 0.00 0.00 61.98 58.42 3itz s VAL 20 Cb -0.20 -1.16 -0.07 0.00 0.56 0.00 0.00 36.38 35.51 3itz s VAL 20 CO -0.04 -0.37 1.33 -2.65 -0.31 0.00 0.00 175.10 173.06 3itz n PRO 21 N 0.99 1.89 -0.38 4.82 -0.02 -1.26 -1.35 135.00 139.68 3itz n PRO 21 Ca -0.19 0.68 0.31 0.00 -2.02 0.00 0.00 63.50 62.28 3itz n PRO 21 Cb 0.56 -2.51 0.62 0.00 -0.02 0.00 0.00 33.50 32.15 3itz n PRO 21 CO 0.00 0.00 0.00 0.93 1.98 0.00 0.00 175.50 178.41 3itz h GLU 22 N 1.84 0.18 -0.67 -0.52 5.08 -1.56 -1.32 114.58 117.61 3itz h GLU 22 Ca -0.50 -0.01 0.18 0.00 -1.00 0.00 0.00 59.36 58.03 3itz h GLU 22 Cb 1.29 -0.04 -0.03 0.00 0.50 0.00 0.00 28.75 30.47 3itz h GLU 22 CO 0.59 0.12 0.47 0.07 -1.00 0.00 0.00 179.01 179.26 3itz h ARG 23 N 0.19 0.08 -5.44 2.33 0.11 -1.90 -3.40 114.38 106.36 3itz h ARG 23 Ca 0.67 -0.00 -0.62 0.00 0.10 0.00 0.00 59.98 60.12 3itz h ARG 23 Cb 2.12 -0.02 -0.13 0.00 1.11 0.00 0.00 29.97 33.05 3itz h ARG 23 CO -0.24 0.05 0.09 0.71 0.10 0.00 0.00 179.97 180.68 3itz s TYR 24 N -5.09 3.22 0.23 4.08 2.02 -0.50 -1.28 117.35 120.03 3itz s TYR 24 Ca -0.06 0.54 0.07 0.00 -0.37 0.00 0.00 57.07 57.25 3itz s TYR 24 Cb 0.20 -2.93 -0.05 0.00 -0.40 0.00 0.00 41.96 38.78 3itz s TYR 24 CO 0.75 -0.45 -0.10 -0.65 -1.57 0.00 0.00 175.55 173.53 3itz s GLN 25 N 2.52 1.39 -1.24 -0.62 -1.52 -0.30 -4.86 119.66 115.03 3itz s GLN 25 Ca 0.24 -1.65 -0.00 0.00 -1.95 0.00 0.00 55.36 51.99 3itz s GLN 25 Cb -0.15 -1.05 -0.00 0.00 -0.22 0.00 0.00 33.01 31.59 3itz s GLN 25 CO 0.11 0.10 0.88 0.09 -0.25 0.00 0.00 175.29 176.23 3itz n ASN 26 N -0.44 -1.76 -4.71 5.90 3.02 -1.26 -0.83 115.26 115.18 3itz n ASN 26 Ca -0.07 -0.70 -0.42 0.00 -0.03 0.00 0.00 54.58 53.36 3itz n ASN 26 Cb 0.62 -4.72 -0.03 0.00 -0.61 0.00 0.00 39.78 35.03 3itz n ASN 26 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 3itz s LEU 27 N -6.47 4.36 -0.10 3.41 1.02 -1.26 -4.40 118.68 115.25 3itz s LEU 27 Ca 0.01 2.27 -0.04 0.00 0.02 0.00 0.00 54.13 56.38 3itz s LEU 27 Cb -0.00 -3.58 0.05 0.00 0.02 0.00 0.00 46.19 42.68 3itz s LEU 27 CO 0.76 -0.65 0.20 -0.55 0.02 0.00 0.00 176.35 176.13 3itz s SER 28 N 1.25 0.44 0.26 2.29 0.15 0.03 -4.97 113.70 113.15 3itz s SER 28 Ca 0.64 0.43 -0.31 0.00 0.70 0.00 0.00 55.95 57.41 3itz s SER 28 Cb -0.35 0.41 -0.12 0.00 -1.71 0.00 0.00 66.02 64.24 3itz s SER 28 CO 0.30 -0.23 1.53 -2.65 1.20 0.00 0.00 173.24 173.39 3itz n PRO 29 N 5.11 2.42 -4.36 5.44 -0.02 -1.26 0.53 135.00 142.87 3itz n PRO 29 Ca -0.09 0.86 -0.21 0.00 -2.02 0.00 0.00 63.50 62.04 3itz n PRO 29 Cb 0.50 -2.60 -0.11 0.00 -0.02 0.00 0.00 33.50 31.27 3itz n PRO 29 CO 0.00 0.00 0.00 0.14 1.98 0.00 0.00 175.50 177.62 3itz s VAL 30 N 0.08 1.91 0.00 -1.45 -7.23 -0.73 -4.80 120.40 108.18 3itz s VAL 30 Ca 0.67 -2.06 0.00 0.00 -1.81 0.00 0.00 61.98 58.78 3itz s VAL 30 Cb -0.56 -1.97 0.00 0.00 0.56 0.00 0.00 36.38 34.41 3itz s VAL 30 CO 0.47 -0.39 0.00 0.61 -0.31 0.00 0.00 175.10 175.48 3itz n GLY 31 N -0.00 0.87 4.17 2.32 0.00 -1.26 -4.19 105.19 107.09 3itz n GLY 31 Ca -0.11 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.60 3itz n GLY 31 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 3itz n SER 32 N -0.01 -1.07 0.00 1.61 7.64 -1.26 -0.83 113.62 119.70 3itz n SER 32 Ca 0.00 -1.09 0.00 0.00 1.01 0.00 0.00 58.87 58.79 3itz n SER 32 Cb 0.00 -2.51 0.00 0.00 -1.01 0.00 0.00 64.21 60.70 3itz n SER 32 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3itz n GLY 33 N -1.86 2.28 0.30 0.23 0.00 -1.26 -4.91 105.19 99.97 3itz n GLY 33 Ca -0.16 0.00 0.18 0.00 0.00 0.00 0.00 46.02 46.04 3itz n GLY 33 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3itz h ALA 34 N 0.00 1.06 -0.01 4.61 0.00 -1.28 -2.59 119.26 121.05 3itz h ALA 34 Ca 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.88 3itz h ALA 34 Cb 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.79 3itz h ALA 34 CO 0.00 0.04 -0.09 0.66 0.00 0.00 0.00 179.25 179.85 3itz n TYR 35 N -3.20 0.00 0.00 0.00 4.01 -1.26 -5.12 117.16 111.59 3itz n TYR 35 Ca -0.01 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.73 3itz n TYR 35 Cb 0.21 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.24 3itz n TYR 35 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3itz n GLY 36 N 0.63 -0.21 3.56 2.72 0.00 -0.98 -4.73 105.19 106.18 3itz n GLY 36 Ca 0.03 -1.91 -0.43 0.00 0.00 0.00 0.00 46.02 43.71 3itz n GLY 36 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3itz s SER 37 N -4.00 6.78 -0.08 1.61 0.01 -1.26 -4.40 113.70 112.35 3itz s SER 37 Ca 0.00 -2.26 0.04 0.00 1.31 0.00 0.00 55.95 55.04 3itz s SER 37 Cb 0.00 -2.55 0.00 0.00 0.21 0.00 0.00 66.02 63.68 3itz s SER 37 CO 0.00 -1.19 -0.21 -0.69 0.41 0.00 0.00 173.24 171.55 3itz s VAL 38 N 4.03 1.85 -0.07 3.43 1.01 -1.26 -0.98 120.40 128.40 3itz s VAL 38 Ca 0.50 -0.91 0.02 0.00 0.00 0.00 0.00 61.98 61.60 3itz s VAL 38 Cb 0.02 -1.60 -0.02 0.00 0.00 0.00 0.00 36.38 34.78 3itz s VAL 38 CO 0.02 0.51 -0.13 0.00 0.00 0.00 0.00 175.10 175.51 3itz s ALA 40 N -0.46 3.19 0.15 0.00 0.00 0.19 -0.20 121.76 124.63 3itz s ALA 40 Ca 0.06 0.68 -0.15 0.00 0.00 0.00 0.00 51.96 52.55 3itz s ALA 40 Cb -0.12 -3.25 0.02 0.00 0.00 0.00 0.00 23.12 19.77 3itz s ALA 40 CO 0.02 -0.07 0.40 0.00 0.00 0.00 0.00 175.76 176.10 3itz s ALA 41 N -1.54 -0.70 -0.24 0.00 0.00 0.14 -0.79 121.76 118.63 3itz s ALA 41 Ca 0.52 -0.30 -0.08 0.00 0.00 0.00 0.00 51.96 52.10 3itz s ALA 41 Cb -0.23 0.75 -0.04 0.00 0.00 0.00 0.00 23.12 23.60 3itz s ALA 41 CO 0.29 -0.68 0.10 0.12 0.00 0.00 0.00 175.76 175.59 3itz s PHE 42 N -3.86 3.16 -0.65 0.00 5.36 -0.01 -0.52 117.98 121.47 3itz s PHE 42 Ca 0.07 -0.15 -0.22 0.00 -0.96 0.00 0.00 56.93 55.68 3itz s PHE 42 Cb 0.02 -2.23 0.07 0.00 -0.34 0.00 0.00 43.02 40.54 3itz s PHE 42 CO -0.07 -0.17 0.94 0.34 -1.46 0.00 0.00 175.22 174.80 3itz s ASP 43 N 1.32 6.18 0.60 6.13 2.15 -0.18 -1.16 116.67 131.71 3itz s ASP 43 Ca 0.06 -1.04 0.34 0.00 0.43 0.00 0.00 52.55 52.33 3itz s ASP 43 Cb -0.15 -2.41 1.93 0.00 -0.30 0.00 0.00 42.92 42.00 3itz s ASP 43 CO 0.05 -1.41 2.26 0.71 -0.17 0.00 0.00 175.17 176.60 3itz h THR 44 N 5.97 0.38 -0.08 1.71 1.35 -1.49 0.18 112.91 120.93 3itz h THR 44 Ca -0.29 -0.09 -0.19 0.00 -0.55 0.00 0.00 66.41 65.29 3itz h THR 44 Cb 1.07 1.06 -0.00 0.00 -1.73 0.00 0.00 68.15 68.55 3itz h THR 44 CO 1.18 0.02 -0.75 0.11 -0.25 0.00 0.00 175.52 175.82 3itz h LYS 45 N 0.00 0.45 0.00 4.72 1.57 -1.91 -3.35 116.57 118.04 3itz h LYS 45 Ca -0.00 -0.38 0.00 0.00 -1.87 0.00 0.00 60.65 58.40 3itz h LYS 45 Cb 0.06 0.08 0.00 0.00 0.08 0.00 0.00 32.23 32.45 3itz h LYS 45 CO 0.00 1.02 -0.84 0.25 -0.57 0.00 0.00 179.45 179.30 3itz n THR 46 N -3.84 0.00 -1.12 -0.16 -2.24 -1.04 -5.00 114.28 100.88 3itz n THR 46 Ca -0.05 -0.25 -0.04 0.00 -2.27 0.00 0.00 64.05 61.44 3itz n THR 46 Cb 0.72 0.67 -0.02 0.00 -2.10 0.00 0.00 70.33 69.61 3itz n THR 46 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3itz n GLY 47 N 1.60 0.69 3.83 3.38 0.00 0.62 -5.02 105.19 110.29 3itz n GLY 47 Ca 0.00 -0.58 -0.38 0.00 0.00 0.00 0.00 46.02 45.06 3itz n GLY 47 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3itz s LEU 48 N -0.94 4.43 0.06 0.99 1.43 -1.18 -4.90 118.68 118.58 3itz s LEU 48 Ca 0.00 0.82 -0.31 0.00 -1.03 0.00 0.00 54.13 53.62 3itz s LEU 48 Cb 0.00 -2.47 -0.06 0.00 0.03 0.00 0.00 46.19 43.69 3itz s LEU 48 CO 0.00 0.31 1.29 -0.13 0.23 0.00 0.00 176.35 178.05 3itz s ARG 49 N -0.86 4.37 0.10 1.70 1.81 -1.26 -1.01 118.95 123.79 3itz s ARG 49 Ca 0.21 1.88 0.05 0.00 -1.72 0.00 0.00 55.73 56.16 3itz s ARG 49 Cb -0.15 -3.37 -0.03 0.00 -0.45 0.00 0.00 34.95 30.94 3itz s ARG 49 CO 0.11 -0.38 -0.13 0.14 -0.68 0.00 0.00 175.30 174.36 3itz s VAL 50 N 1.40 1.15 -0.20 3.52 -7.23 0.33 -1.80 120.40 117.56 3itz s VAL 50 Ca 0.61 -1.53 -0.07 0.00 -1.81 0.00 0.00 61.98 59.18 3itz s VAL 50 Cb -0.32 -1.30 -0.03 0.00 0.56 0.00 0.00 36.38 35.29 3itz s VAL 50 CO 0.28 -0.37 0.05 0.00 -0.31 0.00 0.00 175.10 174.75 3itz s ALA 51 N -1.86 3.25 -0.23 1.32 0.00 0.03 -0.68 121.76 123.59 3itz s ALA 51 Ca 0.04 -0.88 -0.01 0.00 0.00 0.00 0.00 51.96 51.11 3itz s ALA 51 Cb -0.06 -1.90 0.02 0.00 0.00 0.00 0.00 23.12 21.18 3itz s ALA 51 CO 0.02 -0.01 -0.09 0.08 0.00 0.00 0.00 175.76 175.76 3itz s VAL 52 N 0.74 2.74 -0.23 0.00 1.01 0.71 -0.67 120.40 124.71 3itz s VAL 52 Ca 0.02 -1.00 -0.09 0.00 0.00 0.00 0.00 61.98 60.92 3itz s VAL 52 Cb -0.14 -2.36 -0.04 0.00 0.00 0.00 0.00 36.38 33.84 3itz s VAL 52 CO 0.02 0.26 0.12 -0.75 0.00 0.00 0.00 175.10 174.76 3itz s LYS 53 N 1.32 3.98 -0.23 2.72 2.20 0.54 -0.71 119.74 129.56 3itz s LYS 53 Ca 0.01 -0.32 -0.15 0.00 -0.36 0.00 0.00 55.97 55.15 3itz s LYS 53 Cb -0.16 -3.43 -0.04 0.00 -1.51 0.00 0.00 37.83 32.69 3itz s LYS 53 CO -0.06 0.06 0.36 0.21 -0.36 0.00 0.00 175.35 175.57 3itz s LYS 54 N 1.00 4.11 -0.51 4.03 2.20 -0.15 -0.51 119.74 129.91 3itz s LYS 54 Ca 0.06 0.10 -0.15 0.00 -0.36 0.00 0.00 55.97 55.62 3itz s LYS 54 Cb -0.14 -3.57 0.11 0.00 -1.51 0.00 0.00 37.83 32.72 3itz s LYS 54 CO 0.04 -0.10 0.45 -0.51 -0.36 0.00 0.00 175.35 174.86 3itz s LEU 55 N 1.53 5.95 0.00 5.43 1.43 0.37 -4.55 118.68 128.84 3itz s LEU 55 Ca 0.16 -1.67 -0.18 0.00 -1.03 0.00 0.00 54.13 51.42 3itz s LEU 55 Cb -0.15 -2.18 -0.06 0.00 0.03 0.00 0.00 46.19 43.84 3itz s LEU 55 CO 0.08 -0.78 0.51 -0.94 0.23 0.00 0.00 176.35 175.45 3itz s SER 56 N 3.19 6.90 -1.27 2.29 1.04 -1.26 -2.22 113.70 122.38 3itz s SER 56 Ca 0.04 1.08 -0.14 0.00 0.48 0.00 0.00 55.95 57.40 3itz s SER 56 Cb -0.28 -2.31 0.00 0.00 0.10 0.00 0.00 66.02 63.53 3itz s SER 56 CO 0.04 0.21 0.60 0.54 0.98 0.00 0.00 173.24 175.61 3itz n ARG 57 N 2.27 -1.92 -0.00 4.02 1.74 -1.17 -4.86 116.66 116.74 3itz n ARG 57 Ca -0.10 0.37 0.14 0.00 -0.77 0.00 0.00 57.85 57.49 3itz n ARG 57 Cb 0.51 -4.06 0.78 0.00 -1.02 0.00 0.00 32.46 28.67 3itz n ARG 57 CO 0.00 0.00 0.00 -0.35 -1.52 0.00 0.00 177.63 175.76 3itz n PRO 58 N -4.40 1.15 -2.11 5.56 -0.04 -1.26 -3.62 135.00 130.28 3itz n PRO 58 Ca -0.19 -0.22 -0.22 0.00 -0.04 0.00 0.00 63.50 62.83 3itz n PRO 58 Cb 0.63 -1.45 0.02 0.00 -0.04 0.00 0.00 33.50 32.66 3itz n PRO 58 CO 0.00 0.00 0.00 1.19 -0.04 0.00 0.00 175.50 176.65 3itz n PHE 59 N -0.70 2.63 0.08 0.54 3.72 -1.26 -2.71 117.46 119.77 3itz n PHE 59 Ca 0.21 -2.24 -0.07 0.00 -0.05 0.00 0.00 57.45 55.29 3itz n PHE 59 Cb 0.15 -0.32 -0.04 0.00 -0.94 0.00 0.00 39.48 38.33 3itz n PHE 59 CO 0.00 0.00 0.00 0.37 -0.05 0.00 0.00 176.76 177.08 3itz h GLN 60 N 2.23 0.09 -4.36 -1.08 5.75 -1.92 -3.46 115.11 112.37 3itz h GLN 60 Ca 0.32 -0.11 -0.20 0.00 -0.15 0.00 0.00 58.65 58.51 3itz h GLN 60 Cb 1.49 0.04 -0.14 0.00 1.07 0.00 0.00 27.48 29.95 3itz h GLN 60 CO 0.71 0.95 -0.49 -1.54 -2.65 0.00 0.00 178.83 175.80 3itz s SER 61 N -6.85 0.10 0.19 -0.69 1.04 -1.26 -5.03 113.70 101.20 3itz s SER 61 Ca -0.01 -1.28 -0.12 0.00 0.48 0.00 0.00 55.95 55.02 3itz s SER 61 Cb 0.10 0.43 0.14 0.00 0.10 0.00 0.00 66.02 66.79 3itz s SER 61 CO 0.82 -0.92 1.84 0.40 0.98 0.00 0.00 173.24 176.36 3itz h ILE 62 N 2.53 1.10 -0.11 -1.02 2.04 -1.95 -0.70 117.51 119.39 3itz h ILE 62 Ca -0.33 -0.26 -0.01 0.00 1.00 0.00 0.00 64.86 65.26 3itz h ILE 62 Cb 1.25 0.26 -0.00 0.00 -0.74 0.00 0.00 36.82 37.59 3itz h ILE 62 CO 0.49 0.14 0.04 0.40 0.00 0.00 0.00 178.15 179.22 3itz h ILE 63 N 0.77 1.15 -0.63 -0.67 2.04 -1.97 -1.76 117.51 116.43 3itz h ILE 63 Ca 0.24 -0.45 -0.04 0.00 1.00 0.00 0.00 64.86 65.61 3itz h ILE 63 Cb -0.01 1.25 -0.03 0.00 -0.74 0.00 0.00 36.82 37.29 3itz h ILE 63 CO -0.09 0.14 0.25 0.45 0.00 0.00 0.00 178.15 178.89 3itz h HIS 64 N 0.02 0.97 -0.49 1.37 3.86 -1.82 -0.05 115.15 119.00 3itz h HIS 64 Ca 0.04 -0.08 -0.02 0.00 -1.16 0.00 0.00 60.37 59.15 3itz h HIS 64 Cb 0.18 -0.29 -0.02 0.00 1.06 0.00 0.00 27.41 28.33 3itz h HIS 64 CO -0.01 0.77 0.22 0.00 0.86 0.00 0.00 177.93 179.76 3itz h ALA 65 N 1.10 0.64 -0.21 2.45 0.00 -0.91 0.16 119.26 122.49 3itz h ALA 65 Ca 0.21 -0.14 -0.11 0.00 0.00 0.00 0.00 54.91 54.87 3itz h ALA 65 Cb 0.22 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.80 3itz h ALA 65 CO -0.02 0.22 -0.35 -0.22 0.00 0.00 0.00 179.25 178.89 3itz h LYS 66 N 0.65 0.44 -0.41 0.00 3.64 -1.18 -1.87 116.57 117.84 3itz h LYS 66 Ca 0.17 -0.20 -0.10 0.00 -1.27 0.00 0.00 60.65 59.25 3itz h LYS 66 Cb 0.16 -0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 31.95 3itz h LYS 66 CO -0.02 0.73 -0.13 0.00 -2.27 0.00 0.00 179.45 177.76 3itz h ARG 67 N 0.38 0.82 -0.41 1.90 3.08 -0.72 0.50 114.38 119.93 3itz h ARG 67 Ca 0.04 -0.33 0.03 0.00 0.07 0.00 0.00 59.98 59.79 3itz h ARG 67 Cb 0.79 -0.04 -0.03 0.00 0.08 0.00 0.00 29.97 30.77 3itz h ARG 67 CO 0.06 0.95 0.22 1.15 -1.07 0.00 0.00 179.97 181.29 3itz h THR 68 N 0.63 1.00 -0.70 2.04 2.02 -0.85 -0.86 112.91 116.20 3itz h THR 68 Ca 0.10 -0.15 -0.07 0.00 0.77 0.00 0.00 66.41 67.06 3itz h THR 68 Cb 0.67 0.52 -0.03 0.00 -1.74 0.00 0.00 68.15 67.57 3itz h THR 68 CO 0.05 0.08 0.16 0.22 0.37 0.00 0.00 175.52 176.40 3itz h TYR 69 N 0.44 1.18 -0.05 3.16 3.20 -1.23 -2.75 116.97 120.92 3itz h TYR 69 Ca 0.17 -0.14 -0.00 0.00 3.14 0.00 0.00 58.73 61.90 3itz h TYR 69 Cb 0.06 -0.33 -0.00 0.00 1.54 0.00 0.00 36.73 37.99 3itz h TYR 69 CO -0.09 0.96 0.03 -0.09 -1.64 0.00 0.00 178.16 177.33 3itz h ARG 70 N 1.05 0.07 -0.65 1.82 2.43 -0.58 -1.47 114.38 117.06 3itz h ARG 70 Ca 0.22 -0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.38 3itz h ARG 70 Cb 0.38 -0.01 -0.03 0.00 -0.42 0.00 0.00 29.97 29.88 3itz h ARG 70 CO 0.00 0.11 0.40 1.49 -1.51 0.00 0.00 179.97 180.47 3itz h GLU 71 N 0.02 0.87 -0.16 0.20 4.81 -1.14 -1.16 114.58 118.01 3itz h GLU 71 Ca 0.02 -0.07 -0.01 0.00 -0.13 0.00 0.00 59.36 59.17 3itz h GLU 71 Cb 0.06 -0.19 -0.01 0.00 0.63 0.00 0.00 28.75 29.24 3itz h GLU 71 CO -0.00 0.60 0.05 1.25 -0.73 0.00 0.00 179.01 180.18 3itz h LEU 72 N 0.87 0.23 -1.01 1.64 5.85 -1.42 -1.43 115.31 120.05 3itz h LEU 72 Ca 0.23 -0.21 0.05 0.00 0.84 0.00 0.00 57.88 58.79 3itz h LEU 72 Cb -0.05 -0.06 -0.06 0.00 0.37 0.00 0.00 40.66 40.85 3itz h LEU 72 CO -0.05 0.38 0.66 0.03 -0.34 0.00 0.00 178.44 179.12 3itz h ARG 73 N 0.08 1.20 -0.03 1.25 2.47 -1.11 -0.77 114.38 117.47 3itz h ARG 73 Ca 0.05 -0.07 -0.00 0.00 -1.26 0.00 0.00 59.98 58.70 3itz h ARG 73 Cb 0.23 -0.27 -0.00 0.00 -1.65 0.00 0.00 29.97 28.28 3itz h ARG 73 CO -0.00 0.80 0.02 -0.07 0.56 0.00 0.00 179.97 181.27 3itz h LEU 74 N 1.24 0.04 -0.61 3.04 4.07 -1.04 -2.92 115.31 119.13 3itz h LEU 74 Ca 0.41 -0.11 -0.13 0.00 0.08 0.00 0.00 57.88 58.13 3itz h LEU 74 Cb 0.07 -0.01 -0.01 0.00 1.08 0.00 0.00 40.66 41.78 3itz h LEU 74 CO -0.14 0.14 -0.31 -0.07 -1.08 0.00 0.00 178.44 176.98 3itz h LEU 75 N -0.06 0.80 -1.79 1.67 3.38 -0.96 -2.90 115.31 115.45 3itz h LEU 75 Ca 0.01 -0.32 -0.03 0.00 0.09 0.00 0.00 57.88 57.62 3itz h LEU 75 Cb 0.11 -0.22 -0.00 0.00 0.09 0.00 0.00 40.66 40.63 3itz h LEU 75 CO -0.00 1.05 -0.15 0.11 0.09 0.00 0.00 178.44 179.53 3itz h LYS 76 N 0.65 0.00 0.02 1.13 1.57 -1.17 -3.12 116.57 115.65 3itz h LYS 76 Ca 0.07 0.00 -0.21 0.00 -1.87 0.00 0.00 60.65 58.65 3itz h LYS 76 Cb 0.84 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 33.13 3itz h LYS 76 CO 0.07 0.15 -0.96 1.25 -0.57 0.00 0.00 179.45 179.39 3itz h HIS 77 N 0.00 0.15 -3.44 -1.35 2.76 -1.30 -3.45 115.15 108.51 3itz h HIS 77 Ca -0.00 -0.09 -0.60 0.00 -2.20 0.00 0.00 60.37 57.48 3itz h HIS 77 Cb 0.33 -0.01 -0.10 0.00 1.55 0.00 0.00 27.41 29.19 3itz h HIS 77 CO 0.00 0.99 0.50 -1.64 -1.30 0.00 0.00 177.93 176.49 3itz s MET 78 N -2.92 3.92 -0.55 5.26 -1.94 -1.18 -4.93 119.30 116.96 3itz s MET 78 Ca -0.01 0.62 0.04 0.00 -1.71 0.00 0.00 55.69 54.63 3itz s MET 78 Cb 0.10 -3.76 0.15 0.00 2.01 0.00 0.00 34.83 33.34 3itz s MET 78 CO 0.83 -0.79 0.36 0.15 -0.01 0.00 0.00 175.02 175.55 3itz s LYS 79 N 3.19 1.80 -0.12 2.03 -0.14 -1.26 -4.39 119.74 120.85 3itz s LYS 79 Ca 0.35 -2.65 -0.20 0.00 -1.36 0.00 0.00 55.97 52.11 3itz s LYS 79 Cb -0.13 -2.78 0.05 0.00 -1.68 0.00 0.00 37.83 33.29 3itz s LYS 79 CO 0.15 -1.24 0.51 -1.58 -0.76 0.00 0.00 175.35 172.43 3itz s HIS 80 N -0.51 -0.50 0.32 3.18 2.46 -1.26 -5.06 115.29 113.92 3itz s HIS 80 Ca 0.23 1.08 -0.00 0.00 0.47 0.00 0.00 55.06 56.83 3itz s HIS 80 Cb -0.12 0.22 0.51 0.00 -0.13 0.00 0.00 32.58 33.05 3itz s HIS 80 CO -0.10 -0.38 1.96 0.93 -2.47 0.00 0.00 174.74 174.69 3itz h GLU 81 N 4.47 0.95 -0.68 2.88 5.08 -1.98 -2.88 114.58 122.42 3itz h GLU 81 Ca -0.28 -0.08 0.00 0.00 -1.00 0.00 0.00 59.36 58.00 3itz h GLU 81 Cb 1.17 -0.20 0.00 0.00 0.50 0.00 0.00 28.75 30.21 3itz h GLU 81 CO 0.27 0.66 0.00 0.09 -1.00 0.00 0.00 179.01 179.04 3itz n ASN 82 N -4.40 4.38 -4.12 1.42 5.03 -1.26 -4.66 115.26 111.65 3itz n ASN 82 Ca 0.07 -2.25 -0.26 0.00 0.87 0.00 0.00 54.58 53.01 3itz n ASN 82 Cb 0.06 -0.53 -0.16 0.00 -1.02 0.00 0.00 39.78 38.13 3itz n ASN 82 CO 0.00 0.00 0.00 -0.69 -1.83 0.00 0.00 177.26 174.74 3itz s VAL 83 N -1.47 1.41 0.27 2.41 1.01 -1.09 -0.54 120.40 122.41 3itz s VAL 83 Ca 0.50 -0.69 -0.30 0.00 0.00 0.00 0.00 61.98 61.49 3itz s VAL 83 Cb 0.29 -1.23 -0.10 0.00 0.00 0.00 0.00 36.38 35.34 3itz s VAL 83 CO 0.28 0.41 1.44 -0.51 0.00 0.00 0.00 175.10 176.73 3itz s ILE 84 N 0.17 2.58 0.31 2.22 1.10 -0.43 -4.48 121.20 122.68 3itz s ILE 84 Ca -0.07 0.50 0.05 0.00 -0.51 0.00 0.00 60.65 60.62 3itz s ILE 84 Cb -0.13 -3.32 -0.03 0.00 0.15 0.00 0.00 42.46 39.13 3itz s ILE 84 CO 0.03 0.09 0.21 -0.83 -2.11 0.00 0.00 174.94 172.33 3itz s GLY 85 N 0.27 2.16 -0.32 1.50 0.00 -1.26 -4.82 107.32 104.84 3itz s GLY 85 Ca 0.58 -1.85 -0.14 0.00 0.00 0.00 0.00 44.72 43.32 3itz s GLY 85 CO 0.46 -1.53 0.30 -2.27 0.00 0.00 0.00 173.10 170.06 3itz s LEU 86 N -3.36 4.35 0.05 0.66 2.96 -1.20 -4.48 118.68 117.66 3itz s LEU 86 Ca 0.37 -0.19 0.02 0.00 -0.22 0.00 0.00 54.13 54.11 3itz s LEU 86 Cb 0.04 -2.25 -0.25 0.00 0.50 0.00 0.00 46.19 44.22 3itz s LEU 86 CO 0.21 -0.24 1.04 -0.07 -1.32 0.00 0.00 176.35 175.97 3itz h LEU 87 N 8.59 0.23 -7.00 -0.68 3.38 -1.20 -3.44 115.31 115.20 3itz h LEU 87 Ca -0.31 -0.29 0.03 0.00 0.09 0.00 0.00 57.88 57.40 3itz h LEU 87 Cb 1.16 -0.08 -0.15 0.00 0.09 0.00 0.00 40.66 41.68 3itz h LEU 87 CO 0.65 1.23 0.33 -0.62 0.09 0.00 0.00 178.44 180.12 3itz s ASP 88 N -6.84 -0.50 -0.09 -0.43 2.15 -1.15 -4.53 116.67 105.29 3itz s ASP 88 Ca -0.04 0.15 -0.07 0.00 0.43 0.00 0.00 52.55 53.02 3itz s ASP 88 Cb 0.08 0.49 0.03 0.00 -0.30 0.00 0.00 42.92 43.22 3itz s ASP 88 CO 0.85 -0.74 0.23 0.54 -0.17 0.00 0.00 175.17 175.88 3itz s VAL 89 N -2.91 -0.02 0.12 1.11 0.11 -1.26 -1.16 120.40 116.40 3itz s VAL 89 Ca 0.00 0.06 -0.12 0.00 -2.93 0.00 0.00 61.98 58.99 3itz s VAL 89 Cb -0.01 -0.34 0.01 0.00 -1.53 0.00 0.00 36.38 34.52 3itz s VAL 89 CO -0.07 0.02 0.31 0.72 -3.33 0.00 0.00 175.10 172.75 3itz s PHE 90 N 0.57 0.01 0.01 1.54 -0.12 -0.92 -4.93 117.98 114.14 3itz s PHE 90 Ca -0.04 -0.39 0.01 0.00 -0.05 0.00 0.00 56.93 56.46 3itz s PHE 90 Cb -0.05 0.10 -0.01 0.00 -0.63 0.00 0.00 43.02 42.43 3itz s PHE 90 CO -0.03 -0.65 -0.03 -0.08 -0.05 0.00 0.00 175.22 174.38 3itz s THR 91 N -3.85 0.19 -0.90 -4.49 -1.32 -1.26 -1.73 115.64 102.28 3itz s THR 91 Ca 0.06 -0.33 0.15 0.00 -1.21 0.00 0.00 61.69 60.36 3itz s THR 91 Cb 0.03 -0.21 0.13 0.00 -1.51 0.00 0.00 72.50 70.94 3itz s THR 91 CO -0.10 -0.09 1.47 -0.81 -2.21 0.00 0.00 174.62 172.88 3itz n PRO 92 N 2.63 0.04 -2.13 7.08 -0.04 -1.26 -4.85 135.00 136.46 3itz n PRO 92 Ca -0.15 0.31 -0.41 0.00 -0.04 0.00 0.00 63.50 63.20 3itz n PRO 92 Cb 0.58 -1.57 -0.03 0.00 -0.04 0.00 0.00 33.50 32.44 3itz n PRO 92 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3itz s ALA 93 N -3.06 3.55 -0.72 0.55 0.00 -1.26 -4.94 121.76 115.87 3itz s ALA 93 Ca 0.06 1.21 0.23 0.00 0.00 0.00 0.00 51.96 53.46 3itz s ALA 93 Cb 0.09 -3.50 0.08 0.00 0.00 0.00 0.00 23.12 19.78 3itz s ALA 93 CO 0.26 -0.62 1.07 0.54 0.00 0.00 0.00 175.76 177.01 3itz n ARG 94 N 2.14 0.20 -4.07 0.00 1.74 -1.26 -4.95 116.66 110.46 3itz n ARG 94 Ca 0.05 -0.00 -0.09 0.00 -0.77 0.00 0.00 57.85 57.04 3itz n ARG 94 Cb 0.42 -1.56 -0.09 0.00 -1.02 0.00 0.00 32.46 30.20 3itz n ARG 94 CO 0.00 0.00 0.00 -1.54 -1.52 0.00 0.00 177.63 174.57 3itz s SER 95 N -3.65 0.30 0.42 0.55 1.04 -1.26 -5.03 113.70 106.07 3itz s SER 95 Ca 0.05 -1.04 0.11 0.00 0.48 0.00 0.00 55.95 55.55 3itz s SER 95 Cb 0.15 0.30 0.97 0.00 0.10 0.00 0.00 66.02 67.54 3itz s SER 95 CO 0.79 -0.72 2.00 0.25 0.98 0.00 0.00 173.24 176.55 3itz h LEU 96 N 2.88 0.41 -0.88 2.42 5.85 -1.96 -2.65 115.31 121.39 3itz h LEU 96 Ca -0.34 0.00 -0.02 0.00 0.84 0.00 0.00 57.88 58.36 3itz h LEU 96 Cb 1.19 -0.09 -0.04 0.00 0.37 0.00 0.00 40.66 42.09 3itz h LEU 96 CO 0.59 0.26 0.47 -0.33 -0.34 0.00 0.00 178.44 179.09 3itz h GLU 97 N 0.47 1.24 -0.09 1.25 3.07 -2.01 -2.81 114.58 115.70 3itz h GLU 97 Ca 0.24 -0.15 0.00 0.00 -0.50 0.00 0.00 59.36 58.95 3itz h GLU 97 Cb 0.35 -0.24 0.00 0.00 -0.84 0.00 0.00 28.75 28.02 3itz h GLU 97 CO -0.07 0.92 0.00 -0.85 -1.40 0.00 0.00 179.01 177.61 3itz n GLU 98 N -4.33 2.19 -2.18 2.33 0.28 -1.11 -4.92 120.64 112.89 3itz n GLU 98 Ca 0.09 -1.74 -0.32 0.00 -0.16 0.00 0.00 57.16 55.04 3itz n GLU 98 Cb 0.11 -1.47 -0.04 0.00 1.43 0.00 0.00 31.44 31.47 3itz n GLU 98 CO 0.00 0.00 0.00 0.12 -0.16 0.00 0.00 177.13 177.09 3itz s PHE 99 N -1.92 1.97 -0.06 -1.84 5.36 -1.02 -4.82 117.98 115.66 3itz s PHE 99 Ca 0.32 0.30 0.11 0.00 -0.96 0.00 0.00 56.93 56.70 3itz s PHE 99 Cb 0.20 -4.22 0.21 0.00 -0.34 0.00 0.00 43.02 38.87 3itz s PHE 99 CO 0.31 -1.87 1.10 -1.71 -1.46 0.00 0.00 175.22 171.59 3itz n ASN 100 N 12.51 1.00 -3.73 6.13 2.85 -1.26 -5.03 115.26 127.73 3itz n ASN 100 Ca 0.35 -2.50 -0.12 0.00 -0.11 0.00 0.00 54.58 52.19 3itz n ASN 100 Cb 0.49 -0.32 -0.12 0.00 1.24 0.00 0.00 39.78 41.07 3itz n ASN 100 CO 0.00 0.00 0.00 -1.81 -2.11 0.00 0.00 177.26 173.34 3itz s ASP 101 N -1.94 -0.35 -0.11 1.20 1.01 -1.26 -3.02 116.67 112.20 3itz s ASP 101 Ca 0.19 0.64 0.03 0.00 0.71 0.00 0.00 52.55 54.13 3itz s ASP 101 Cb 0.19 0.55 0.01 0.00 1.01 0.00 0.00 42.92 44.68 3itz s ASP 101 CO -0.03 -0.16 -0.20 -0.69 0.21 0.00 0.00 175.17 174.29 3itz s VAL 102 N 1.07 1.84 -0.16 -1.27 1.01 -0.94 -4.60 120.40 117.36 3itz s VAL 102 Ca -0.07 -0.87 -0.03 0.00 0.00 0.00 0.00 61.98 61.01 3itz s VAL 102 Cb -0.08 -1.62 -0.02 0.00 0.00 0.00 0.00 36.38 34.65 3itz s VAL 102 CO -0.08 0.51 -0.05 -0.31 0.00 0.00 0.00 175.10 175.17 3itz s TYR 103 N 0.67 2.99 -0.07 5.22 1.51 -0.71 -0.48 117.35 126.48 3itz s TYR 103 Ca -0.12 -0.39 0.01 0.00 -1.01 0.00 0.00 57.07 55.56 3itz s TYR 103 Cb -0.16 -1.95 -0.03 0.00 -0.11 0.00 0.00 41.96 39.71 3itz s TYR 103 CO 0.03 -0.09 -0.07 -0.51 -1.11 0.00 0.00 175.55 173.79 3itz s LEU 104 N 0.43 3.13 -0.15 -1.29 1.43 0.33 -2.17 118.68 120.39 3itz s LEU 104 Ca -0.05 -0.04 0.01 0.00 -1.03 0.00 0.00 54.13 53.02 3itz s LEU 104 Cb -0.15 -1.68 0.02 0.00 0.03 0.00 0.00 46.19 44.42 3itz s LEU 104 CO 0.03 0.36 -0.15 -0.69 0.23 0.00 0.00 176.35 176.13 3itz s VAL 105 N -0.79 1.66 0.43 -1.59 1.01 -0.31 -0.34 120.40 120.47 3itz s VAL 105 Ca 0.12 -0.69 0.03 0.00 0.00 0.00 0.00 61.98 61.44 3itz s VAL 105 Cb -0.11 -1.54 -0.03 0.00 0.00 0.00 0.00 36.38 34.70 3itz s VAL 105 CO 0.01 0.47 0.06 0.42 0.00 0.00 0.00 175.10 176.07 3itz s THR 106 N 1.39 1.02 0.44 3.92 -4.23 0.15 -0.60 115.64 117.74 3itz s THR 106 Ca 0.04 -2.00 -0.26 0.00 -1.18 0.00 0.00 61.69 58.29 3itz s THR 106 Cb -0.13 -2.44 -0.09 0.00 1.34 0.00 0.00 72.50 71.18 3itz s THR 106 CO -0.10 0.00 1.43 1.41 -0.54 0.00 0.00 174.62 176.82 3itz n HIS 107 N -0.99 2.69 -3.10 3.99 8.25 -1.26 -0.79 115.22 124.01 3itz n HIS 107 Ca -0.09 0.44 -0.39 0.00 -0.26 0.00 0.00 57.72 57.42 3itz n HIS 107 Cb 0.66 -2.46 -0.05 0.00 1.12 0.00 0.00 29.99 29.26 3itz n HIS 107 CO 0.00 0.00 0.00 -1.17 0.64 0.00 0.00 176.34 175.81 3itz s LEU 108 N -2.53 4.30 0.30 2.41 2.96 -0.74 -4.12 118.68 121.26 3itz s LEU 108 Ca 0.60 1.11 0.08 0.00 -0.22 0.00 0.00 54.13 55.71 3itz s LEU 108 Cb -0.46 -3.01 -0.04 0.00 0.50 0.00 0.00 46.19 43.19 3itz s LEU 108 CO 0.58 -0.10 0.14 -0.04 -1.32 0.00 0.00 176.35 175.61 3itz s MET 109 N 0.81 2.51 -0.07 1.98 -1.94 -1.26 -4.88 119.30 116.45 3itz s MET 109 Ca 0.35 -1.38 -0.20 0.00 -1.71 0.00 0.00 55.69 52.75 3itz s MET 109 Cb -0.17 -2.29 -0.30 0.00 2.01 0.00 0.00 34.83 34.08 3itz s MET 109 CO 0.16 0.23 0.78 0.78 -0.01 0.00 0.00 175.02 176.97 3itz h GLY 110 N 1.58 0.31 -2.56 -0.03 0.00 -1.79 -3.49 103.07 97.09 3itz h GLY 110 Ca -0.45 -0.78 0.02 0.00 0.00 0.00 0.00 47.33 46.12 3itz h GLY 110 CO 0.61 0.69 0.23 0.00 0.00 0.00 0.00 176.54 178.07 3itz s ALA 111 N -2.43 -1.44 0.48 3.60 0.00 -0.68 -5.00 121.76 116.29 3itz s ALA 111 Ca -0.16 0.14 -0.00 0.00 0.00 0.00 0.00 51.96 51.94 3itz s ALA 111 Cb 0.02 0.86 0.00 0.00 0.00 0.00 0.00 23.12 24.00 3itz s ALA 111 CO 0.80 -0.89 0.71 0.16 0.00 0.00 0.00 175.76 176.54 3itz s ASP 112 N -2.82 5.70 0.34 0.00 1.47 -1.26 0.67 116.67 120.78 3itz s ASP 112 Ca 0.06 0.27 0.08 0.00 1.18 0.00 0.00 52.55 54.13 3itz s ASP 112 Cb -0.03 -1.43 0.77 0.00 -0.34 0.00 0.00 42.92 41.90 3itz s ASP 112 CO -0.04 -0.82 1.87 -0.07 0.68 0.00 0.00 175.17 176.79 3itz h LEU 113 N 0.28 0.70 -0.57 2.11 3.38 -0.51 -1.78 115.31 118.91 3itz h LEU 113 Ca -0.45 0.04 0.11 0.00 0.09 0.00 0.00 57.88 57.67 3itz h LEU 113 Cb 1.26 -0.10 -0.09 0.00 0.09 0.00 0.00 40.66 41.82 3itz h LEU 113 CO 0.57 0.36 0.05 0.78 0.09 0.00 0.00 178.44 180.28 3itz h ASN 114 N 0.74 -0.15 0.57 -0.43 2.35 -1.87 -2.32 115.58 114.47 3itz h ASN 114 Ca 0.45 0.13 -0.20 0.00 -0.55 0.00 0.00 56.30 56.12 3itz h ASN 114 Cb 0.66 0.21 -0.01 0.00 0.05 0.00 0.00 38.32 39.23 3itz h ASN 114 CO -0.21 -0.05 -0.89 0.78 -1.65 0.00 0.00 177.43 175.40 3itz h ASN 115 N 0.17 0.28 0.89 5.81 -0.26 -1.70 -3.16 115.58 117.60 3itz h ASN 115 Ca 0.29 -0.23 -0.09 0.00 -0.56 0.00 0.00 56.30 55.72 3itz h ASN 115 Cb 0.45 -0.09 -0.01 0.00 -1.06 0.00 0.00 38.32 37.61 3itz h ASN 115 CO -0.44 1.03 -0.42 0.16 -1.06 0.00 0.00 177.43 176.70 3itz h ILE 116 N 0.12 0.95 -0.24 2.81 -0.00 -1.38 -2.92 117.51 116.85 3itz h ILE 116 Ca -0.05 -1.69 -0.13 0.00 -0.00 0.00 0.00 64.86 62.99 3itz h ILE 116 Cb 1.52 2.02 -0.01 0.00 -0.00 0.00 0.00 36.82 40.35 3itz h ILE 116 CO 0.14 0.42 -0.39 0.58 -0.00 0.00 0.00 178.15 178.90 3itz h VAL 117 N 0.00 1.30 0.00 0.16 2.07 -1.41 -1.99 116.25 116.37 3itz h VAL 117 Ca -0.00 -1.53 0.00 0.00 0.82 0.00 0.00 66.70 65.98 3itz h VAL 117 Cb 0.99 1.53 0.00 0.00 -1.52 0.00 0.00 31.29 32.29 3itz h VAL 117 CO 0.06 0.48 0.00 0.07 0.02 0.00 0.00 177.57 178.20 3itz h LYS 118 N 0.45 0.00 0.00 1.57 2.10 -1.51 -3.27 116.57 115.91 3itz h LYS 118 Ca 0.04 0.00 -0.17 0.00 -2.00 0.00 0.00 60.65 58.52 3itz h LYS 118 Cb 0.87 0.00 -0.03 0.00 -0.90 0.00 0.00 32.23 32.17 3itz h LYS 118 CO 0.07 0.00 -1.38 0.00 -2.00 0.00 0.00 179.45 176.15 3itz s GLN 120 N -2.91 0.65 -0.34 0.00 -0.21 -0.76 -5.11 119.66 110.98 3itz s GLN 120 Ca -0.03 -1.18 -0.13 0.00 0.02 0.00 0.00 55.36 54.05 3itz s GLN 120 Cb 0.09 0.05 -0.01 0.00 1.00 0.00 0.00 33.01 34.14 3itz s GLN 120 CO 0.81 -0.07 0.23 0.21 -2.12 0.00 0.00 175.29 174.35 3itz s LYS 121 N -3.58 3.39 -0.00 2.91 2.36 -1.26 -4.60 119.74 118.96 3itz s LYS 121 Ca 0.06 -0.71 -0.30 0.00 -2.55 0.00 0.00 55.97 52.46 3itz s LYS 121 Cb 0.05 -3.79 -0.04 0.00 -1.05 0.00 0.00 37.83 33.00 3itz s LYS 121 CO -0.07 -0.48 1.08 -0.51 1.55 0.00 0.00 175.35 176.91 3itz s LEU 122 N 1.70 4.34 0.88 5.43 1.43 -1.26 -5.05 118.68 126.15 3itz s LEU 122 Ca 0.06 1.77 -0.12 0.00 -1.03 0.00 0.00 54.13 54.80 3itz s LEU 122 Cb -0.18 -3.57 0.12 0.00 0.03 0.00 0.00 46.19 42.60 3itz s LEU 122 CO 0.10 -0.39 1.14 0.42 0.23 0.00 0.00 176.35 177.84 3itz s THR 123 N 1.32 2.16 0.37 5.49 -4.23 -1.26 -4.87 115.64 114.61 3itz s THR 123 Ca 0.54 0.05 0.04 0.00 -1.18 0.00 0.00 61.69 61.14 3itz s THR 123 Cb -0.24 -2.83 0.23 0.00 1.34 0.00 0.00 72.50 71.01 3itz s THR 123 CO 0.26 -0.07 1.99 -0.78 -0.54 0.00 0.00 174.62 175.48 3itz h ASP 124 N -1.39 0.57 -0.65 3.99 3.58 -1.98 -2.09 116.42 118.46 3itz h ASP 124 Ca -0.50 -0.04 -0.09 0.00 0.42 0.00 0.00 57.03 56.83 3itz h ASP 124 Cb 1.32 -0.15 -0.02 0.00 1.72 0.00 0.00 39.33 42.20 3itz h ASP 124 CO 0.62 0.48 0.08 -0.78 -2.88 0.00 0.00 179.24 176.75 3itz h ASP 125 N 0.65 1.07 -0.27 2.28 3.58 -1.99 0.11 116.42 121.85 3itz h ASP 125 Ca 0.17 -0.27 0.01 0.00 0.42 0.00 0.00 57.03 57.35 3itz h ASP 125 Cb 0.04 -0.28 -0.02 0.00 1.72 0.00 0.00 39.33 40.78 3itz h ASP 125 CO -0.03 1.07 0.17 0.45 -2.88 0.00 0.00 179.24 178.02 3itz h HIS 126 N 1.02 0.31 -0.73 0.28 3.86 -1.79 -1.24 115.15 116.86 3itz h HIS 126 Ca 0.19 0.01 -0.05 0.00 -1.16 0.00 0.00 60.37 59.37 3itz h HIS 126 Cb 0.48 -0.10 -0.03 0.00 1.06 0.00 0.00 27.41 28.82 3itz h HIS 126 CO 0.04 0.19 0.27 0.28 0.86 0.00 0.00 177.93 179.56 3itz h VAL 127 N 0.34 1.25 -0.02 2.45 2.07 -1.15 0.15 116.25 121.35 3itz h VAL 127 Ca 0.11 -0.83 0.02 0.00 0.82 0.00 0.00 66.70 66.82 3itz h VAL 127 Cb -0.01 0.40 -0.02 0.00 -1.52 0.00 0.00 31.29 30.14 3itz h VAL 127 CO -0.04 0.33 -0.08 1.56 0.02 0.00 0.00 177.57 179.36 3itz h GLN 128 N 1.07 -0.13 -0.32 1.57 4.20 -0.58 -1.32 115.11 119.60 3itz h GLN 128 Ca 0.24 0.01 -0.17 0.00 0.06 0.00 0.00 58.65 58.79 3itz h GLN 128 Cb 0.24 0.03 -0.00 0.00 0.30 0.00 0.00 27.48 28.05 3itz h GLN 128 CO -0.02 -0.08 -0.48 0.35 -0.67 0.00 0.00 178.83 177.93 3itz h PHE 129 N -0.13 1.09 0.10 2.96 3.57 -0.89 -1.04 116.94 122.61 3itz h PHE 129 Ca 0.04 -0.36 -0.01 0.00 3.53 0.00 0.00 57.97 61.17 3itz h PHE 129 Cb 0.18 -0.22 0.00 0.00 2.79 0.00 0.00 35.95 38.71 3itz h PHE 129 CO -0.15 1.19 -0.05 -0.07 -2.23 0.00 0.00 178.31 177.00 3itz h LEU 130 N 0.70 -0.12 -0.68 0.59 3.38 -0.70 -2.56 115.31 115.92 3itz h LEU 130 Ca 0.03 -0.24 -0.08 0.00 0.09 0.00 0.00 57.88 57.69 3itz h LEU 130 Cb 1.08 0.03 -0.03 0.00 0.09 0.00 0.00 40.66 41.84 3itz h LEU 130 CO 0.11 0.18 0.13 0.40 0.09 0.00 0.00 178.44 179.35 3itz h ILE 131 N -0.43 1.26 -0.60 1.22 1.08 -1.29 -2.07 117.51 116.69 3itz h ILE 131 Ca -0.01 -1.01 0.12 0.00 -0.39 0.00 0.00 64.86 63.56 3itz h ILE 131 Cb 0.35 0.61 -0.09 0.00 -3.07 0.00 0.00 36.82 34.62 3itz h ILE 131 CO 0.02 0.38 0.08 0.22 -0.69 0.00 0.00 178.15 178.17 3itz h TYR 132 N 1.04 0.11 -0.54 1.37 3.20 -1.22 -1.09 116.97 119.84 3itz h TYR 132 Ca 0.21 0.04 -0.12 0.00 3.14 0.00 0.00 58.73 62.00 3itz h TYR 132 Cb 0.42 0.04 -0.02 0.00 1.54 0.00 0.00 36.73 38.72 3itz h TYR 132 CO 0.03 -0.08 -0.12 1.96 -1.64 0.00 0.00 178.16 178.30 3itz h GLN 133 N 0.20 1.03 -0.18 1.82 4.20 -1.09 0.50 115.11 121.59 3itz h GLN 133 Ca 0.32 -0.39 0.00 0.00 0.06 0.00 0.00 58.65 58.64 3itz h GLN 133 Cb 0.49 -0.06 -0.01 0.00 0.30 0.00 0.00 27.48 28.20 3itz h GLN 133 CO -0.45 1.08 0.11 0.82 -0.67 0.00 0.00 178.83 179.72 3itz h ILE 134 N 0.91 1.04 -0.48 2.54 2.04 -1.08 -1.49 117.51 120.98 3itz h ILE 134 Ca 0.14 -0.08 -0.08 0.00 1.00 0.00 0.00 64.86 65.84 3itz h ILE 134 Cb 0.69 0.79 -0.02 0.00 -0.74 0.00 0.00 36.82 37.54 3itz h ILE 134 CO 0.05 0.04 -0.03 -0.07 0.00 0.00 0.00 178.15 178.14 3itz h LEU 135 N 0.23 0.81 0.01 1.44 3.38 -1.06 0.22 115.31 120.34 3itz h LEU 135 Ca 0.07 -0.21 -0.00 0.00 0.09 0.00 0.00 57.88 57.82 3itz h LEU 135 Cb -0.02 -0.22 0.00 0.00 0.09 0.00 0.00 40.66 40.51 3itz h LEU 135 CO -0.02 0.89 -0.00 -0.09 0.09 0.00 0.00 178.44 179.31 3itz h ARG 136 N 0.77 -0.01 -0.80 1.13 2.43 -0.76 -0.38 114.38 116.76 3itz h ARG 136 Ca 0.14 0.00 -0.02 0.00 -0.81 0.00 0.00 59.98 59.29 3itz h ARG 136 Cb 0.51 0.00 -0.04 0.00 -0.42 0.00 0.00 29.97 30.03 3itz h ARG 136 CO 0.03 0.08 0.40 0.78 -1.51 0.00 0.00 179.97 179.76 3itz h GLY 137 N -0.11 1.21 1.27 2.80 0.00 -1.17 -3.01 103.07 104.06 3itz h GLY 137 Ca -0.00 -0.57 -0.08 0.00 0.00 0.00 0.00 47.33 46.67 3itz h GLY 137 CO 0.00 0.55 -0.01 1.41 0.00 0.00 0.00 176.54 178.49 3itz h LEU 138 N 1.13 0.86 -0.66 3.11 3.38 -0.69 -0.64 115.31 121.79 3itz h LEU 138 Ca 0.28 -0.22 0.08 0.00 0.09 0.00 0.00 57.88 58.10 3itz h LEU 138 Cb 0.08 -0.23 -0.06 0.00 0.09 0.00 0.00 40.66 40.54 3itz h LEU 138 CO -0.04 0.93 0.33 0.50 0.09 0.00 0.00 178.44 180.25 3itz h LYS 139 N 0.82 0.58 -0.03 1.13 3.64 -0.95 0.20 116.57 121.95 3itz h LYS 139 Ca 0.15 -0.03 -0.01 0.00 -1.27 0.00 0.00 60.65 59.49 3itz h LYS 139 Cb 0.50 -0.13 -0.00 0.00 -0.41 0.00 0.00 32.23 32.19 3itz h LYS 139 CO 0.02 0.38 0.00 -0.92 -2.27 0.00 0.00 179.45 176.67 3itz h TYR 140 N 0.59 0.06 -0.25 1.91 3.20 -1.35 -1.33 116.97 119.81 3itz h TYR 140 Ca 0.31 -0.01 0.00 0.00 3.14 0.00 0.00 58.73 62.18 3itz h TYR 140 Cb 0.29 -0.02 -0.01 0.00 1.54 0.00 0.00 36.73 38.53 3itz h TYR 140 CO -0.10 0.34 0.16 0.82 -1.64 0.00 0.00 178.16 177.73 3itz h ILE 141 N -0.22 1.08 -0.16 1.81 2.04 -0.84 -2.82 117.51 118.39 3itz h ILE 141 Ca 0.01 -0.16 -0.07 0.00 1.00 0.00 0.00 64.86 65.64 3itz h ILE 141 Cb 0.31 0.73 -0.01 0.00 -0.74 0.00 0.00 36.82 37.11 3itz h ILE 141 CO 0.00 0.07 -0.23 0.45 0.00 0.00 0.00 178.15 178.44 3itz h HIS 142 N 0.33 0.31 0.00 1.37 3.86 -0.64 -2.40 115.15 117.98 3itz h HIS 142 Ca 0.09 -0.05 -0.03 0.00 -1.16 0.00 0.00 60.37 59.22 3itz h HIS 142 Cb -0.02 -0.08 -0.00 0.00 1.06 0.00 0.00 27.41 28.37 3itz h HIS 142 CO -0.05 0.50 -0.13 0.66 0.86 0.00 0.00 177.93 179.77 3itz h SER 143 N 0.26 0.00 -0.05 2.45 4.64 -1.05 -1.43 113.55 118.37 3itz h SER 143 Ca 0.04 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.36 3itz h SER 143 Cb 0.55 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.64 3itz h SER 143 CO 0.04 0.13 0.00 0.00 -0.87 0.00 0.00 176.83 176.12 3itz n ALA 144 N -2.19 2.60 -3.62 5.18 0.00 -0.93 -4.65 120.51 116.90 3itz n ALA 144 Ca -0.00 -0.29 -0.23 0.00 0.00 0.00 0.00 53.44 52.92 3itz n ALA 144 Cb 0.34 -1.27 0.07 0.00 0.00 0.00 0.00 19.45 18.58 3itz n ALA 144 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 3itz n ASP 145 N -0.40 -4.53 -4.46 0.00 8.00 -0.54 -1.98 116.55 112.64 3itz n ASP 145 Ca 0.17 -0.63 -0.33 0.00 0.71 0.00 0.00 54.79 54.72 3itz n ASP 145 Cb 0.19 -4.79 -0.13 0.00 -0.02 0.00 0.00 41.12 36.36 3itz n ASP 145 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 3itz s ILE 146 N -3.36 3.04 -0.11 0.53 1.01 -1.03 -4.92 121.20 116.37 3itz s ILE 146 Ca 0.39 -0.72 -0.03 0.00 0.00 0.00 0.00 60.65 60.29 3itz s ILE 146 Cb -0.18 -2.20 -0.03 0.00 0.01 0.00 0.00 42.46 40.05 3itz s ILE 146 CO 0.75 0.58 0.02 -0.63 0.00 0.00 0.00 174.94 175.66 3itz s ILE 147 N -0.57 4.43 -0.01 2.92 1.01 -1.26 -3.77 121.20 123.95 3itz s ILE 147 Ca 0.08 -0.19 -0.22 0.00 0.00 0.00 0.00 60.65 60.32 3itz s ILE 147 Cb -0.11 -2.90 -0.14 0.00 0.01 0.00 0.00 42.46 39.32 3itz s ILE 147 CO 0.01 0.58 0.99 -0.74 0.00 0.00 0.00 174.94 175.78 3itz h HIS 148 N 5.50 -0.49 0.00 3.97 -0.00 -1.94 -2.87 115.15 119.32 3itz h HIS 148 Ca -0.47 -0.01 0.00 0.00 -0.00 0.00 0.00 60.37 59.88 3itz h HIS 148 Cb 1.19 0.16 0.00 0.00 -0.00 0.00 0.00 27.41 28.76 3itz h HIS 148 CO 0.62 -0.17 0.00 0.54 -0.00 0.00 0.00 177.93 178.92 3itz n ARG 149 N -5.16 0.00 -3.19 5.26 1.74 -1.26 -2.61 116.66 111.45 3itz n ARG 149 Ca -0.09 0.00 -0.19 0.00 -0.77 0.00 0.00 57.85 56.80 3itz n ARG 149 Cb 0.28 0.00 -0.04 0.00 -1.02 0.00 0.00 32.46 31.68 3itz n ARG 149 CO 0.00 0.00 0.00 -3.47 -1.52 0.00 0.00 177.63 172.64 3itz n ASP 150 N 0.64 0.77 -4.67 0.55 4.64 -1.26 -5.00 116.55 112.22 3itz n ASP 150 Ca 0.00 -2.97 -0.42 0.00 -1.38 0.00 0.00 54.79 50.02 3itz n ASP 150 Cb 0.00 -0.62 -0.03 0.00 -1.04 0.00 0.00 41.12 39.42 3itz n ASP 150 CO 0.00 0.00 0.00 -0.76 -0.82 0.00 0.00 177.20 175.62 3itz s LEU 151 N -2.28 4.18 0.14 -2.67 1.43 -1.26 -4.91 118.68 113.31 3itz s LEU 151 Ca 0.39 1.29 -0.18 0.00 -1.03 0.00 0.00 54.13 54.60 3itz s LEU 151 Cb 0.33 -3.36 0.05 0.00 0.03 0.00 0.00 46.19 43.23 3itz s LEU 151 CO -0.08 -0.45 0.46 -1.59 0.23 0.00 0.00 176.35 174.92 3itz s LYS 152 N 2.27 1.14 0.47 1.70 -2.85 -1.26 -4.84 119.74 116.37 3itz s LYS 152 Ca 0.42 -0.64 0.27 0.00 -1.00 0.00 0.00 55.97 55.02 3itz s LYS 152 Cb -0.17 0.51 1.32 0.00 -2.06 0.00 0.00 37.83 37.43 3itz s LYS 152 CO 0.13 -0.46 1.80 -1.35 0.10 0.00 0.00 175.35 175.56 3itz h PRO 153 N 2.25 0.19 0.00 1.78 0.11 -1.95 -1.37 132.00 133.01 3itz h PRO 153 Ca -0.34 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.76 3itz h PRO 153 Cb 1.27 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 32.34 3itz h PRO 153 CO 0.44 0.13 0.00 0.66 -0.21 0.00 0.00 178.00 179.02 3itz h SER 154 N 0.20 0.00 -0.25 -2.05 4.64 -1.95 -2.31 113.55 111.84 3itz h SER 154 Ca 0.56 0.00 -0.10 0.00 -0.47 0.00 0.00 61.79 61.78 3itz h SER 154 Cb 1.81 0.00 -0.06 0.00 -0.31 0.00 0.00 62.40 63.84 3itz h SER 154 CO -0.15 0.00 -0.11 -0.46 -0.87 0.00 0.00 176.83 175.24 3itz n ASN 155 N -2.43 2.64 -4.18 4.97 0.23 -0.52 -4.87 115.26 111.11 3itz n ASN 155 Ca 0.02 -3.57 -0.36 0.00 -0.53 0.00 0.00 54.58 50.15 3itz n ASN 155 Cb 0.27 -0.58 -0.13 0.00 -2.08 0.00 0.00 39.78 37.25 3itz n ASN 155 CO 0.00 0.00 0.00 -0.76 -0.93 0.00 0.00 177.26 175.57 3itz s LEU 156 N -3.12 4.22 -0.05 -4.53 1.43 -1.02 -0.72 118.68 114.89 3itz s LEU 156 Ca 0.42 -1.40 -0.14 0.00 -1.03 0.00 0.00 54.13 51.98 3itz s LEU 156 Cb 0.37 -1.76 -0.05 0.00 0.03 0.00 0.00 46.19 44.79 3itz s LEU 156 CO 0.01 -0.32 0.35 0.00 0.23 0.00 0.00 176.35 176.62 3itz s ALA 157 N 1.25 3.70 0.04 4.21 0.00 -0.28 -0.99 121.76 129.69 3itz s ALA 157 Ca -0.02 -0.32 0.03 0.00 0.00 0.00 0.00 51.96 51.65 3itz s ALA 157 Cb -0.20 -2.34 -0.02 0.00 0.00 0.00 0.00 23.12 20.56 3itz s ALA 157 CO -0.01 0.42 -0.10 0.08 0.00 0.00 0.00 175.76 176.15 3itz s VAL 158 N -0.75 0.73 0.49 0.00 1.01 0.21 -0.74 120.40 121.36 3itz s VAL 158 Ca 0.21 -0.92 0.08 0.00 0.00 0.00 0.00 61.98 61.35 3itz s VAL 158 Cb -0.15 -0.72 0.02 0.00 0.00 0.00 0.00 36.38 35.53 3itz s VAL 158 CO 0.10 -0.17 0.50 0.20 0.00 0.00 0.00 175.10 175.73 3itz s ASN 159 N -1.21 5.00 0.49 3.32 0.01 -0.37 -1.69 114.94 120.50 3itz s ASN 159 Ca -0.04 -0.88 0.17 0.00 -0.71 0.00 0.00 52.86 51.40 3itz s ASN 159 Cb -0.08 -0.11 1.21 0.00 0.41 0.00 0.00 41.25 42.68 3itz s ASN 159 CO 0.01 -0.95 2.07 -0.08 -1.51 0.00 0.00 177.10 176.64 3itz h GLU 160 N 0.72 0.14 -0.39 -0.60 4.81 -1.99 -0.21 114.58 117.07 3itz h GLU 160 Ca -0.37 -0.01 0.00 0.00 -0.13 0.00 0.00 59.36 58.85 3itz h GLU 160 Cb 1.28 -0.03 0.00 0.00 0.63 0.00 0.00 28.75 30.63 3itz h GLU 160 CO 0.52 0.09 0.00 -0.40 -0.73 0.00 0.00 179.01 178.49 3itz n ASP 161 N -4.48 1.72 -0.45 1.04 5.68 -1.26 -4.89 116.55 113.90 3itz n ASP 161 Ca 0.03 -2.07 -0.06 0.00 -0.50 0.00 0.00 54.79 52.19 3itz n ASP 161 Cb 0.26 -0.26 -0.03 0.00 -1.14 0.00 0.00 41.12 39.95 3itz n ASP 161 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 3itz s GLU 163 N -2.09 4.74 -0.02 0.00 2.02 -1.26 -4.75 118.70 117.34 3itz s GLU 163 Ca 0.00 1.41 0.07 0.00 0.02 0.00 0.00 54.97 56.47 3itz s GLU 163 Cb 0.00 -3.32 -0.02 0.00 0.10 0.00 0.00 34.13 30.89 3itz s GLU 163 CO 0.00 0.38 -0.24 -1.17 0.02 0.00 0.00 175.26 174.25 3itz s LEU 164 N -0.61 2.04 -0.04 1.80 0.20 -1.26 -1.24 118.68 119.57 3itz s LEU 164 Ca 0.43 -0.43 0.05 0.00 0.69 0.00 0.00 54.13 54.86 3itz s LEU 164 Cb -0.24 -1.23 -0.01 0.00 -0.43 0.00 0.00 46.19 44.28 3itz s LEU 164 CO 0.30 0.29 -0.19 -0.54 -0.29 0.00 0.00 176.35 175.92 3itz s LYS 165 N -0.52 1.85 -0.11 1.98 1.02 0.09 -4.19 119.74 119.87 3itz s LYS 165 Ca 0.08 -0.67 -0.28 0.00 0.02 0.00 0.00 55.97 55.12 3itz s LYS 165 Cb -0.10 -1.63 -0.02 0.00 -0.52 0.00 0.00 37.83 35.56 3itz s LYS 165 CO -0.01 0.30 0.92 0.42 -0.92 0.00 0.00 175.35 176.06 3itz s ILE 166 N -0.09 4.85 0.29 2.17 1.01 0.30 -1.12 121.20 128.62 3itz s ILE 166 Ca -0.02 1.86 0.08 0.00 0.00 0.00 0.00 60.65 62.57 3itz s ILE 166 Cb -0.11 -4.23 -0.04 0.00 0.01 0.00 0.00 42.46 38.09 3itz s ILE 166 CO 0.02 0.06 0.19 -0.76 0.00 0.00 0.00 174.94 174.44 3itz s LEU 167 N 1.78 3.57 -1.47 2.97 1.43 0.10 -1.32 118.68 125.75 3itz s LEU 167 Ca 0.45 -0.46 -0.01 0.00 -1.03 0.00 0.00 54.13 53.07 3itz s LEU 167 Cb -0.18 -2.12 0.00 0.00 0.03 0.00 0.00 46.19 43.92 3itz s LEU 167 CO 0.18 -0.17 0.16 0.47 0.23 0.00 0.00 176.35 177.22 3itz n ASP 168 N -1.19 -5.29 -4.78 2.29 8.00 -1.26 -4.83 116.55 109.50 3itz n ASP 168 Ca -0.05 -0.09 -0.37 0.00 0.71 0.00 0.00 54.79 55.00 3itz n ASP 168 Cb 0.59 -4.29 -0.02 0.00 -0.02 0.00 0.00 41.12 37.38 3itz n ASP 168 CO 0.00 0.00 0.00 0.72 -0.39 0.00 0.00 177.20 177.53 3itz s PHE 169 N -2.95 3.05 -0.03 1.24 -0.12 -1.26 -4.24 117.98 113.68 3itz s PHE 169 Ca 0.08 1.58 0.00 0.00 -0.05 0.00 0.00 56.93 58.54 3itz s PHE 169 Cb -0.03 -3.25 0.00 0.00 -0.63 0.00 0.00 43.02 39.10 3itz s PHE 169 CO 0.10 -1.09 0.00 0.41 -0.05 0.00 0.00 175.22 174.59 3itz n GLY 170 N 0.37 0.20 0.00 1.99 0.00 -1.07 -4.75 105.19 101.92 3itz n GLY 170 Ca 0.06 -0.01 0.00 0.00 0.00 0.00 0.00 46.02 46.08 3itz n GLY 170 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 173.32 174.79 3itz n LEU 171 N -0.03 0.06 -4.65 0.99 -0.00 -1.26 -5.03 117.00 107.08 3itz n LEU 171 Ca -0.00 -0.07 -0.42 0.00 -0.00 0.00 0.00 56.01 55.52 3itz n LEU 171 Cb 0.33 0.00 -0.03 0.00 -0.00 0.00 0.00 43.42 43.72 3itz n LEU 171 CO 0.00 0.01 1.61 0.00 -0.00 0.00 0.00 177.39 179.02 3itz s ALA 172 N -0.02 3.44 -0.40 1.47 0.00 -1.26 -4.97 121.76 120.02 3itz s ALA 172 Ca 0.00 1.17 0.01 0.00 0.00 0.00 0.00 51.96 53.14 3itz s ALA 172 Cb 0.00 -3.87 0.13 0.00 0.00 0.00 0.00 23.12 19.38 3itz s ALA 172 CO 0.00 -1.77 0.20 0.50 0.00 0.00 0.00 175.76 174.70 3itz s ARG 173 N 4.73 1.02 0.01 0.00 6.06 -1.26 -5.01 118.95 124.51 3itz s ARG 173 Ca 0.88 -1.68 -0.06 0.00 -2.50 0.00 0.00 55.73 52.37 3itz s ARG 173 Cb -0.40 -2.06 -0.05 0.00 0.06 0.00 0.00 34.95 32.50 3itz s ARG 173 CO 0.39 -1.13 0.27 -1.01 -2.50 0.00 0.00 175.30 171.31 3itz s HIS 174 N 0.76 3.57 0.77 5.12 3.76 -1.26 -5.10 115.29 122.91 3itz s HIS 174 Ca 0.16 0.55 -0.11 0.00 -0.15 0.00 0.00 55.06 55.51 3itz s HIS 174 Cb -0.23 -1.98 0.05 0.00 1.11 0.00 0.00 32.58 31.54 3itz s HIS 174 CO -0.05 0.61 1.09 0.95 -0.85 0.00 0.00 174.74 176.49 3itz s THR 175 N -1.32 3.31 0.24 1.30 -4.23 -1.26 -4.98 115.64 108.70 3itz s THR 175 Ca 0.28 0.42 -0.06 0.00 -1.18 0.00 0.00 61.69 61.15 3itz s THR 175 Cb -0.13 -3.17 0.23 0.00 1.34 0.00 0.00 72.50 70.77 3itz s THR 175 CO 0.17 -0.55 1.90 0.44 -0.54 0.00 0.00 174.62 176.03 3itz h ASP 176 N -0.99 1.01 -0.63 3.99 3.32 -1.99 -2.99 116.42 118.14 3itz h ASP 176 Ca -0.46 -0.01 -0.05 0.00 0.02 0.00 0.00 57.03 56.52 3itz h ASP 176 Cb 1.25 -0.23 -0.03 0.00 0.22 0.00 0.00 39.33 40.54 3itz h ASP 176 CO 0.59 0.70 0.20 -0.78 -1.72 0.00 0.00 179.24 178.23 3itz h ASP 177 N 1.18 0.94 0.35 6.45 1.82 -1.96 -2.60 116.42 122.61 3itz h ASP 177 Ca 0.36 -0.17 -0.03 0.00 -0.39 0.00 0.00 57.03 56.81 3itz h ASP 177 Cb -0.03 -0.25 -0.00 0.00 0.68 0.00 0.00 39.33 39.73 3itz h ASP 177 CO -0.11 0.89 -0.13 -0.33 -1.61 0.00 0.00 179.24 177.95 3itz h GLU 178 N 0.97 0.00 -0.54 0.28 5.08 -1.91 -2.35 114.58 116.11 3itz h GLU 178 Ca 0.21 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.57 3itz h GLU 178 Cb 0.29 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.54 3itz h GLU 178 CO -0.01 0.13 0.00 -1.33 -1.00 0.00 0.00 179.01 176.80 3itz n MET 179 N -3.72 2.44 -3.68 2.33 2.81 -0.99 -4.75 117.12 111.55 3itz n MET 179 Ca -0.02 -2.22 -0.36 0.00 -1.81 0.00 0.00 57.70 53.30 3itz n MET 179 Cb 0.24 -1.50 -0.08 0.00 -0.71 0.00 0.00 33.22 31.18 3itz n MET 179 CO 0.00 0.00 0.00 0.99 1.51 0.00 0.00 175.97 178.47 3itz s THR 180 N -1.29 5.38 0.00 2.03 2.01 -0.89 -4.81 115.64 118.08 3itz s THR 180 Ca 0.41 0.30 0.00 0.00 0.31 0.00 0.00 61.69 62.72 3itz s THR 180 Cb 0.22 -3.51 0.00 0.00 0.01 0.00 0.00 72.50 69.22 3itz s THR 180 CO 0.30 0.44 0.00 0.61 -0.69 0.00 0.00 174.62 175.28 3itz n GLY 181 N 3.33 -0.46 3.36 4.40 0.00 -1.26 -4.61 105.19 109.95 3itz n GLY 181 Ca -0.15 -1.53 -0.43 0.00 0.00 0.00 0.00 46.02 43.90 3itz n GLY 181 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 3itz n TYR 182 N 0.00 4.47 -4.29 1.61 9.36 -1.13 -3.78 117.16 123.40 3itz n TYR 182 Ca 0.00 -3.08 -0.20 0.00 3.32 0.00 0.00 57.90 57.95 3itz n TYR 182 Cb 0.00 -2.34 -0.16 0.00 -0.63 0.00 0.00 39.34 36.21 3itz n TYR 182 CO 0.00 0.00 0.00 0.14 0.22 0.00 0.00 176.86 177.22 3itz s VAL 183 N 2.43 0.65 0.53 2.97 -7.23 -1.26 -5.03 120.40 113.47 3itz s VAL 183 Ca 0.46 -0.26 0.21 0.00 -1.81 0.00 0.00 61.98 60.58 3itz s VAL 183 Cb 0.03 -0.61 0.32 0.00 0.56 0.00 0.00 36.38 36.68 3itz s VAL 183 CO 0.02 0.22 2.11 0.00 -0.31 0.00 0.00 175.10 177.15 3itz h ALA 184 N 6.61 2.08 -0.21 1.32 0.00 -1.93 -2.67 119.26 124.45 3itz h ALA 184 Ca -0.34 -0.01 0.06 0.00 0.00 0.00 0.00 54.91 54.62 3itz h ALA 184 Cb 1.17 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.96 3itz h ALA 184 CO 0.49 -0.19 0.34 1.79 0.00 0.00 0.00 179.25 181.67 3itz h THR 185 N 0.00 0.26 0.00 0.00 1.35 -1.96 -2.91 112.91 109.65 3itz h THR 185 Ca 0.07 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.93 3itz h THR 185 Cb 0.30 0.71 0.00 0.00 -1.73 0.00 0.00 68.15 67.43 3itz h THR 185 CO -0.00 0.00 -1.34 -1.14 -0.25 0.00 0.00 175.52 172.79 3itz n ARG 186 N -3.44 0.34 0.30 4.72 0.63 -1.01 -4.72 116.66 113.49 3itz n ARG 186 Ca 0.03 -0.07 0.18 0.00 -0.92 0.00 0.00 57.85 57.07 3itz n ARG 186 Cb 0.46 -1.18 1.02 0.00 0.45 0.00 0.00 32.46 33.21 3itz n ARG 186 CO 0.00 0.00 0.00 -1.49 -2.51 0.00 0.00 177.63 173.63 3itz h TRP 187 N 0.00 0.00 -0.02 -0.14 6.55 -1.53 -2.29 115.95 118.52 3itz h TRP 187 Ca 0.00 0.00 0.00 0.00 0.95 0.00 0.00 58.89 59.84 3itz h TRP 187 Cb 0.36 0.00 0.00 0.00 -0.86 0.00 0.00 29.16 28.66 3itz h TRP 187 CO 0.00 0.00 -0.28 0.66 -1.05 0.00 0.00 178.44 177.77 3itz n TYR 188 N -3.50 0.00 -2.65 0.49 4.01 -1.26 -4.58 117.16 109.67 3itz n TYR 188 Ca -0.02 0.00 -0.40 0.00 -0.16 0.00 0.00 57.90 57.32 3itz n TYR 188 Cb 0.13 0.00 -0.05 0.00 -0.31 0.00 0.00 39.34 39.11 3itz n TYR 188 CO 0.00 0.00 0.00 1.03 -0.46 0.00 0.00 176.86 177.43 3itz s ARG 189 N -2.08 4.78 0.40 -0.72 0.52 -0.87 -3.76 118.95 117.23 3itz s ARG 189 Ca 0.19 1.60 -0.27 0.00 -0.52 0.00 0.00 55.73 56.73 3itz s ARG 189 Cb 0.17 -3.25 -0.09 0.00 0.52 0.00 0.00 34.95 32.29 3itz s ARG 189 CO 0.42 0.40 1.38 0.00 0.02 0.00 0.00 175.30 177.52 3itz s ALA 190 N -1.10 3.36 0.35 2.13 0.00 -1.26 -4.83 121.76 120.40 3itz s ALA 190 Ca 0.43 1.38 0.11 0.00 0.00 0.00 0.00 51.96 53.87 3itz s ALA 190 Cb -0.28 -3.54 0.88 0.00 0.00 0.00 0.00 23.12 20.18 3itz s ALA 190 CO 0.35 -0.95 1.80 -1.00 0.00 0.00 0.00 175.76 175.96 3itz h PRO 191 N 2.76 0.60 0.00 0.00 0.13 -1.95 -1.78 132.00 131.76 3itz h PRO 191 Ca -0.50 -0.04 -0.03 0.00 -0.87 0.00 0.00 66.00 64.56 3itz h PRO 191 Cb 1.25 -0.14 -0.00 0.00 0.13 0.00 0.00 31.00 32.24 3itz h PRO 191 CO 0.63 0.40 -0.14 1.05 -0.23 0.00 0.00 178.00 179.71 3itz h GLU 192 N 0.62 0.00 0.01 0.86 9.09 -1.92 -2.81 114.58 120.43 3itz h GLU 192 Ca 0.54 0.00 -0.34 0.00 0.05 0.00 0.00 59.36 59.62 3itz h GLU 192 Cb 1.04 0.00 -0.06 0.00 -1.65 0.00 0.00 28.75 28.08 3itz h GLU 192 CO -0.30 0.14 -2.09 -0.89 0.05 0.00 0.00 179.01 175.92 3itz n ILE 193 N -3.43 1.51 -0.10 -1.06 5.41 -0.82 -0.92 119.36 119.96 3itz n ILE 193 Ca -0.01 -0.81 0.01 0.00 1.00 0.00 0.00 62.75 62.94 3itz n ILE 193 Cb 0.31 -0.80 0.31 0.00 -0.71 0.00 0.00 39.64 38.75 3itz n ILE 193 CO 0.00 0.00 0.00 -0.03 0.00 0.00 0.00 176.55 176.52 3itz h MET 194 N 0.00 0.74 0.00 0.38 4.05 -1.22 -3.13 114.93 115.75 3itz h MET 194 Ca -0.43 -0.07 0.00 0.00 -0.28 0.00 0.00 59.70 58.92 3itz h MET 194 Cb 2.12 -0.15 0.00 0.00 -0.80 0.00 0.00 31.60 32.77 3itz h MET 194 CO 0.05 0.54 0.00 1.28 0.23 0.00 0.00 176.91 179.01 3itz n LEU 195 N -4.41 1.50 -3.44 3.39 4.77 -1.07 -5.05 117.00 112.70 3itz n LEU 195 Ca 0.05 -1.50 -0.19 0.00 -0.03 0.00 0.00 56.01 54.33 3itz n LEU 195 Cb 0.09 0.00 0.04 0.00 -2.33 0.00 0.00 43.42 41.22 3itz n LEU 195 CO 0.37 0.38 0.03 0.59 -1.33 0.00 0.00 177.39 177.42 3itz n ASN 196 N -0.28 -6.20 0.08 -1.43 4.13 -1.07 -4.94 115.26 105.54 3itz n ASN 196 Ca 0.00 -0.72 -0.10 0.00 1.68 0.00 0.00 54.58 55.43 3itz n ASN 196 Cb 0.17 -4.15 -0.03 0.00 -1.54 0.00 0.00 39.78 34.23 3itz n ASN 196 CO 0.00 0.00 0.00 -0.50 0.28 0.00 0.00 177.26 177.04 3itz h TRP 197 N -1.00 0.39 -2.73 3.10 6.55 -1.31 -3.44 115.95 117.52 3itz h TRP 197 Ca -0.50 -0.22 0.09 0.00 0.95 0.00 0.00 58.89 59.21 3itz h TRP 197 Cb 1.27 -0.04 -0.04 0.00 -0.86 0.00 0.00 29.16 29.49 3itz h TRP 197 CO 0.29 1.04 0.40 0.00 -1.05 0.00 0.00 178.44 179.11 3itz s MET 198 N -3.19 1.67 -0.15 0.49 0.23 -1.26 -1.84 119.30 115.25 3itz s MET 198 Ca -0.04 -1.02 -0.29 0.00 -1.03 0.00 0.00 55.69 53.31 3itz s MET 198 Cb 0.10 0.51 -0.02 0.00 -1.53 0.00 0.00 34.83 33.88 3itz s MET 198 CO 0.84 -0.78 1.39 -3.38 -2.03 0.00 0.00 175.02 171.07 3itz s HIS 199 N -2.80 2.55 0.45 3.16 -3.43 -1.26 -4.88 115.29 109.09 3itz s HIS 199 Ca 0.16 0.75 -0.14 0.00 -0.80 0.00 0.00 55.06 55.03 3itz s HIS 199 Cb -0.04 -3.68 -0.07 0.00 -1.43 0.00 0.00 32.58 27.36 3itz s HIS 199 CO 0.07 -2.35 0.87 1.52 -2.00 0.00 0.00 174.74 172.85 3itz s TYR 200 N 3.85 3.46 0.06 0.38 -0.85 -1.26 -5.09 117.35 117.90 3itz s TYR 200 Ca 0.61 1.26 0.01 0.00 -0.52 0.00 0.00 57.07 58.43 3itz s TYR 200 Cb -0.24 -2.62 -0.00 0.00 0.38 0.00 0.00 41.96 39.48 3itz s TYR 200 CO 0.20 -0.22 0.03 0.27 -1.52 0.00 0.00 175.55 174.31 3itz n ASN 201 N -1.39 0.49 -0.09 -0.18 0.23 -1.26 -5.05 115.26 108.01 3itz n ASN 201 Ca 0.04 -1.37 0.26 0.00 -0.53 0.00 0.00 54.58 52.98 3itz n ASN 201 Cb 0.54 0.22 0.72 0.00 -2.08 0.00 0.00 39.78 39.18 3itz n ASN 201 CO 0.00 0.00 0.00 0.06 -0.93 0.00 0.00 177.26 176.39 3itz h GLN 202 N 0.00 0.00 0.00 -3.83 3.07 -1.98 -2.05 115.11 110.32 3itz h GLN 202 Ca -0.05 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.69 3itz h GLN 202 Cb 0.20 0.00 0.00 0.00 0.08 0.00 0.00 27.48 27.76 3itz h GLN 202 CO 0.07 0.00 0.03 1.79 0.09 0.00 0.00 178.83 180.81 3itz h THR 203 N 0.00 0.00 -0.75 1.86 1.35 -1.97 0.86 112.91 114.27 3itz h THR 203 Ca 0.35 0.00 0.06 0.00 -0.55 0.00 0.00 66.41 66.28 3itz h THR 203 Cb 1.56 0.74 -0.05 0.00 -1.73 0.00 0.00 68.15 68.68 3itz h THR 203 CO -0.00 0.00 0.49 0.58 -0.25 0.00 0.00 175.52 176.34 3itz h VAL 204 N 0.00 1.02 0.00 6.82 2.07 -1.74 -2.94 116.25 121.48 3itz h VAL 204 Ca 0.00 -0.27 -0.15 0.00 0.82 0.00 0.00 66.70 67.11 3itz h VAL 204 Cb 0.06 0.17 -0.02 0.00 -1.52 0.00 0.00 31.29 29.98 3itz h VAL 204 CO 0.00 0.14 -0.69 0.44 0.02 0.00 0.00 177.57 177.48 3itz h ASP 205 N 0.79 0.00 -0.55 0.57 3.32 -1.05 -3.11 116.42 116.38 3itz h ASP 205 Ca 0.32 0.00 -0.11 0.00 0.02 0.00 0.00 57.03 57.26 3itz h ASP 205 Cb 0.26 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 39.79 3itz h ASP 205 CO -0.11 0.69 -0.07 0.40 -1.72 0.00 0.00 179.24 178.43 3itz h ILE 206 N 0.00 1.27 -0.46 0.35 1.08 -1.63 -2.01 117.51 116.10 3itz h ILE 206 Ca -0.01 -1.23 0.08 0.00 -0.39 0.00 0.00 64.86 63.31 3itz h ILE 206 Cb 1.25 0.91 -0.07 0.00 -3.07 0.00 0.00 36.82 35.83 3itz h ILE 206 CO 0.09 0.44 0.05 -0.25 -0.69 0.00 0.00 178.15 177.79 3itz h TRP 207 N 0.93 0.06 -0.97 1.37 2.91 -1.52 -1.42 115.95 117.31 3itz h TRP 207 Ca 0.15 0.03 0.03 0.00 1.13 0.00 0.00 58.89 60.23 3itz h TRP 207 Cb 0.64 0.04 -0.05 0.00 -0.51 0.00 0.00 29.16 29.28 3itz h TRP 207 CO 0.04 -0.05 0.64 0.77 -1.03 0.00 0.00 178.44 178.81 3itz h SER 208 N 0.17 1.07 -0.72 2.65 0.02 -1.45 -2.13 113.55 113.15 3itz h SER 208 Ca 0.23 -0.02 -0.03 0.00 -0.84 0.00 0.00 61.79 61.13 3itz h SER 208 Cb 0.32 -0.25 -0.03 0.00 0.14 0.00 0.00 62.40 62.57 3itz h SER 208 CO -0.34 0.75 0.32 0.58 -1.14 0.00 0.00 176.83 177.00 3itz h VAL 209 N 1.25 1.24 -0.65 2.27 2.07 -0.86 -1.40 116.25 120.18 3itz h VAL 209 Ca 0.38 -0.72 0.06 0.00 0.82 0.00 0.00 66.70 67.23 3itz h VAL 209 Cb -0.05 0.38 -0.06 0.00 -1.52 0.00 0.00 31.29 30.04 3itz h VAL 209 CO -0.11 0.30 0.35 1.23 0.02 0.00 0.00 177.57 179.36 3itz h GLY 210 N 1.02 0.95 1.04 2.17 0.00 -0.72 0.18 103.07 107.71 3itz h GLY 210 Ca 0.24 -0.24 -0.08 0.00 0.00 0.00 0.00 47.33 47.25 3itz h GLY 210 CO -0.03 0.14 0.04 0.00 0.00 0.00 0.00 176.54 176.69 3itz h ILE 212 N 0.87 1.29 -0.43 0.00 2.04 -0.92 -2.45 117.51 117.92 3itz h ILE 212 Ca 0.17 -0.97 0.03 0.00 1.00 0.00 0.00 64.86 65.09 3itz h ILE 212 Cb 0.49 1.68 -0.04 0.00 -0.74 0.00 0.00 36.82 38.21 3itz h ILE 212 CO 0.02 0.28 0.21 -0.03 0.00 0.00 0.00 178.15 178.64 3itz h MET 213 N -0.07 0.42 -0.58 2.37 4.05 -0.63 -0.99 114.93 119.49 3itz h MET 213 Ca 0.03 -0.03 0.01 0.00 -0.28 0.00 0.00 59.70 59.43 3itz h MET 213 Cb 0.45 -0.09 -0.03 0.00 -0.80 0.00 0.00 31.60 31.13 3itz h MET 213 CO 0.01 0.28 0.38 0.00 0.23 0.00 0.00 176.91 177.81 3itz h ALA 214 N 1.23 0.73 -0.60 0.39 0.00 -1.36 -1.62 119.26 118.04 3itz h ALA 214 Ca 0.19 -0.04 -0.06 0.00 0.00 0.00 0.00 54.91 55.00 3itz h ALA 214 Cb 0.09 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 17.63 3itz h ALA 214 CO -0.13 0.16 0.13 1.49 0.00 0.00 0.00 179.25 180.90 3itz h GLU 215 N 0.77 0.93 -0.48 0.00 4.81 -1.05 -1.18 114.58 118.39 3itz h GLU 215 Ca 0.21 -0.21 -0.09 0.00 -0.13 0.00 0.00 59.36 59.15 3itz h GLU 215 Cb -0.08 -0.13 -0.02 0.00 0.63 0.00 0.00 28.75 29.15 3itz h GLU 215 CO -0.05 0.84 -0.07 -0.07 -0.73 0.00 0.00 179.01 178.93 3itz h LEU 216 N 0.89 0.82 -0.48 1.64 3.38 -0.84 0.15 115.31 120.87 3itz h LEU 216 Ca 0.19 -0.24 -0.16 0.00 0.09 0.00 0.00 57.88 57.77 3itz h LEU 216 Cb 0.34 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 40.86 3itz h LEU 216 CO 0.00 0.93 -0.48 -0.07 0.09 0.00 0.00 178.44 178.91 3itz h LEU 217 N 0.77 0.77 0.00 1.67 3.38 -0.99 -3.38 115.31 117.53 3itz h LEU 217 Ca 0.13 -0.38 -0.08 0.00 0.09 0.00 0.00 57.88 57.64 3itz h LEU 217 Cb 0.56 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 41.07 3itz h LEU 217 CO 0.03 1.12 -1.77 0.35 0.09 0.00 0.00 178.44 178.26 3itz n THR 218 N -4.01 0.32 -0.81 0.22 -2.24 -0.47 -4.99 114.28 102.29 3itz n THR 218 Ca -0.03 -0.42 0.00 0.00 -2.27 0.00 0.00 64.05 61.33 3itz n THR 218 Cb 0.57 -0.11 0.00 0.00 -2.10 0.00 0.00 70.33 68.70 3itz n THR 218 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3itz n GLY 219 N 1.82 0.72 3.14 3.38 0.00 0.52 -5.04 105.19 109.72 3itz n GLY 219 Ca -0.09 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.67 3itz n GLY 219 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3itz s ARG 220 N -0.19 1.62 0.19 1.61 1.81 -1.23 -5.03 118.95 117.74 3itz s ARG 220 Ca 0.00 -0.60 -0.33 0.00 -1.72 0.00 0.00 55.73 53.09 3itz s ARG 220 Cb 0.00 -1.46 -0.14 0.00 -0.45 0.00 0.00 34.95 32.91 3itz s ARG 220 CO 0.00 0.28 1.50 2.41 -0.68 0.00 0.00 175.30 178.81 3itz n THR 221 N 3.00 0.41 -0.03 0.02 -1.04 -1.26 -4.02 114.28 111.36 3itz n THR 221 Ca -0.17 -0.10 -0.16 0.00 -2.04 0.00 0.00 64.05 61.57 3itz n THR 221 Cb 0.53 -1.51 -0.08 0.00 -1.82 0.00 0.00 70.33 67.46 3itz n THR 221 CO 0.00 0.00 0.00 0.25 -0.64 0.00 0.00 175.07 174.68 3itz h LEU 222 N 5.17 0.68 -6.06 -4.42 5.85 -1.92 -3.38 115.31 111.23 3itz h LEU 222 Ca -0.45 -0.64 -0.58 0.00 0.84 0.00 0.00 57.88 57.05 3itz h LEU 222 Cb 1.26 -0.20 -0.41 0.00 0.37 0.00 0.00 40.66 41.68 3itz h LEU 222 CO 0.83 1.21 -0.84 0.49 -0.34 0.00 0.00 178.44 179.80 3itz n PHE 223 N -4.17 1.85 -1.98 1.25 3.72 -1.26 -4.99 117.46 111.87 3itz n PHE 223 Ca -0.08 -3.89 -0.41 0.00 -0.05 0.00 0.00 57.45 53.02 3itz n PHE 223 Cb 0.63 -0.46 -0.00 0.00 -0.94 0.00 0.00 39.48 38.71 3itz n PHE 223 CO 0.00 0.00 0.00 -0.35 -0.05 0.00 0.00 176.76 176.36 3itz n PRO 224 N 1.00 3.63 -1.82 -1.08 -0.04 -1.26 -4.67 135.00 130.76 3itz n PRO 224 Ca 0.26 -3.10 -0.38 0.00 -0.04 0.00 0.00 63.50 60.24 3itz n PRO 224 Cb 0.47 -2.94 0.04 0.00 -0.04 0.00 0.00 33.50 31.02 3itz n PRO 224 CO 0.00 0.00 0.00 0.20 -0.04 0.00 0.00 175.50 175.66 3itz s GLY 225 N 1.52 2.88 0.08 0.55 0.00 -1.26 -4.94 107.32 106.15 3itz s GLY 225 Ca 0.48 1.31 0.27 0.00 0.00 0.00 0.00 44.72 46.77 3itz s GLY 225 CO -0.05 1.82 1.69 -1.30 0.00 0.00 0.00 173.10 175.26 3itz n THR 226 N -1.00 0.22 -3.84 0.90 -2.24 -1.26 -4.31 114.28 102.75 3itz n THR 226 Ca 0.10 -0.13 -0.05 0.00 -2.27 0.00 0.00 64.05 61.70 3itz n THR 226 Cb 0.45 -0.32 0.01 0.00 -2.10 0.00 0.00 70.33 68.37 3itz n THR 226 CO 0.00 0.00 0.00 1.51 -0.57 0.00 0.00 175.07 176.01 3itz s ASP 227 N -3.63 -0.03 0.23 3.42 1.47 -1.25 -2.84 116.67 114.05 3itz s ASP 227 Ca 0.11 -0.81 -0.06 0.00 1.18 0.00 0.00 52.55 52.97 3itz s ASP 227 Cb 0.16 0.63 0.40 0.00 -0.34 0.00 0.00 42.92 43.77 3itz s ASP 227 CO 0.61 -1.24 1.71 0.45 0.68 0.00 0.00 175.17 177.38 3itz h HIS 228 N 2.00 0.36 -0.03 2.11 3.86 -1.87 -0.58 115.15 121.00 3itz h HIS 228 Ca -0.28 0.04 -0.09 0.00 -1.16 0.00 0.00 60.37 58.88 3itz h HIS 228 Cb 1.23 -0.05 0.01 0.00 1.06 0.00 0.00 27.41 29.66 3itz h HIS 228 CO 1.21 0.00 -0.33 0.82 0.86 0.00 0.00 177.93 180.50 3itz h ILE 229 N 0.35 1.48 -0.84 2.45 1.08 -1.99 -2.08 117.51 117.94 3itz h ILE 229 Ca 0.38 -1.87 0.08 0.00 -0.39 0.00 0.00 64.86 63.06 3itz h ILE 229 Cb 0.58 2.56 -0.07 0.00 -3.07 0.00 0.00 36.82 36.82 3itz h ILE 229 CO -0.42 0.52 0.50 -0.78 -0.69 0.00 0.00 178.15 177.29 3itz h ASP 230 N -0.31 0.75 -0.22 1.72 3.58 -1.94 -1.80 116.42 118.20 3itz h ASP 230 Ca -0.03 0.04 -0.01 0.00 0.42 0.00 0.00 57.03 57.45 3itz h ASP 230 Cb 1.03 -0.12 -0.01 0.00 1.72 0.00 0.00 39.33 41.95 3itz h ASP 230 CO 0.07 0.45 0.11 -0.61 -2.88 0.00 0.00 179.24 176.38 3itz h GLN 231 N 0.87 0.31 -0.77 0.28 4.15 -1.07 -2.20 115.11 116.69 3itz h GLN 231 Ca 0.39 -0.04 0.08 0.00 0.77 0.00 0.00 58.65 59.85 3itz h GLN 231 Cb 0.29 -0.06 -0.07 0.00 0.21 0.00 0.00 27.48 27.85 3itz h GLN 231 CO -0.22 0.31 0.43 1.25 -1.93 0.00 0.00 178.83 178.67 3itz h LEU 232 N 0.24 0.62 -0.66 -2.39 5.85 -1.02 -0.82 115.31 117.13 3itz h LEU 232 Ca 0.08 0.04 -0.03 0.00 0.84 0.00 0.00 57.88 58.82 3itz h LEU 232 Cb 0.09 -0.08 -0.03 0.00 0.37 0.00 0.00 40.66 41.02 3itz h LEU 232 CO -0.01 0.37 0.31 0.11 -0.34 0.00 0.00 178.44 178.88 3itz h LYS 233 N 0.75 0.96 -0.56 1.25 1.57 -1.19 0.09 116.57 119.44 3itz h LYS 233 Ca 0.37 -0.14 0.08 0.00 -1.87 0.00 0.00 60.65 59.08 3itz h LYS 233 Cb 0.31 -0.17 -0.06 0.00 0.08 0.00 0.00 32.23 32.39 3itz h LYS 233 CO -0.23 0.76 0.22 -0.07 -0.57 0.00 0.00 179.45 179.56 3itz h LEU 234 N 0.92 0.24 -0.04 2.94 4.07 -0.76 -0.61 115.31 122.07 3itz h LEU 234 Ca 0.23 0.06 -0.00 0.00 0.08 0.00 0.00 57.88 58.25 3itz h LEU 234 Cb 0.13 0.03 -0.00 0.00 1.08 0.00 0.00 40.66 41.90 3itz h LEU 234 CO -0.03 0.16 0.01 0.40 -1.08 0.00 0.00 178.44 177.90 3itz h ILE 235 N 0.41 1.18 0.00 1.22 2.04 -0.58 -2.89 117.51 118.90 3itz h ILE 235 Ca 0.27 -0.55 -0.08 0.00 1.00 0.00 0.00 64.86 65.50 3itz h ILE 235 Cb 0.29 1.48 -0.01 0.00 -0.74 0.00 0.00 36.82 37.84 3itz h ILE 235 CO -0.26 0.15 -0.37 -0.07 0.00 0.00 0.00 178.15 177.60 3itz h LEU 236 N -0.15 0.00 -0.73 1.44 3.38 -0.91 0.44 115.31 118.78 3itz h LEU 236 Ca 0.01 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.98 3itz h LEU 236 Cb 0.23 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 40.95 3itz h LEU 236 CO 0.00 0.37 0.43 -0.09 0.09 0.00 0.00 178.44 179.23 3itz h ARG 237 N 0.00 0.99 0.02 1.13 9.65 -1.02 0.17 114.38 125.32 3itz h ARG 237 Ca -0.00 -0.10 -0.03 0.00 -1.10 0.00 0.00 59.98 58.75 3itz h ARG 237 Cb 0.77 -0.20 0.00 0.00 -1.39 0.00 0.00 29.97 29.15 3itz h ARG 237 CO 0.05 0.71 -0.14 1.25 2.80 0.00 0.00 179.97 184.64 3itz h LEU 238 N 0.99 0.09 -1.57 3.80 5.85 -1.21 -3.39 115.31 119.87 3itz h LEU 238 Ca 0.26 -0.91 0.00 0.00 0.84 0.00 0.00 57.88 58.07 3itz h LEU 238 Cb -0.01 -0.03 0.00 0.00 0.37 0.00 0.00 40.66 40.99 3itz h LEU 238 CO -0.05 1.00 -0.17 1.33 -0.34 0.00 0.00 178.44 180.21 3itz n VAL 239 N -4.56 0.00 0.00 1.05 0.24 0.09 -1.35 118.33 113.80 3itz n VAL 239 Ca -0.10 -0.41 0.00 0.00 -2.04 0.00 0.00 64.34 61.79 3itz n VAL 239 Cb 0.50 1.38 0.00 0.00 -1.47 0.00 0.00 33.84 34.25 3itz n VAL 239 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3itz n GLY 240 N 1.37 -1.77 3.79 7.63 0.00 0.59 -4.27 105.19 112.53 3itz n GLY 240 Ca 0.12 -1.49 -0.33 0.00 0.00 0.00 0.00 46.02 44.32 3itz n GLY 240 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3itz s THR 241 N -3.16 3.53 0.35 2.61 -4.23 -0.78 -4.64 115.64 109.32 3itz s THR 241 Ca 0.00 0.79 -0.28 0.00 -1.18 0.00 0.00 61.69 61.03 3itz s THR 241 Cb 0.00 -3.30 -0.12 0.00 1.34 0.00 0.00 72.50 70.42 3itz s THR 241 CO 0.00 -0.36 1.30 -2.65 -0.54 0.00 0.00 174.62 172.37 3itz n PRO 242 N -1.84 2.14 -2.06 3.99 -0.02 -1.26 -4.88 135.00 131.07 3itz n PRO 242 Ca 0.10 0.75 -0.29 0.00 -2.02 0.00 0.00 63.50 62.04 3itz n PRO 242 Cb 0.52 -2.35 0.18 0.00 -0.02 0.00 0.00 33.50 31.84 3itz n PRO 242 CO 0.00 0.00 0.00 0.20 1.98 0.00 0.00 175.50 177.68 3itz s GLY 243 N -0.32 1.79 0.26 -1.23 0.00 -1.26 -4.89 107.32 101.67 3itz s GLY 243 Ca 0.56 -1.35 -0.04 0.00 0.00 0.00 0.00 44.72 43.88 3itz s GLY 243 CO 0.62 -0.59 1.90 0.00 0.00 0.00 0.00 173.10 175.03 3itz h ALA 244 N -1.50 1.34 -0.50 3.20 0.00 -2.00 -2.34 119.26 117.47 3itz h ALA 244 Ca -0.43 -0.04 -0.09 0.00 0.00 0.00 0.00 54.91 54.35 3itz h ALA 244 Cb 1.23 -0.35 -0.02 0.00 0.00 0.00 0.00 17.79 18.65 3itz h ALA 244 CO 0.36 0.54 -0.04 1.49 0.00 0.00 0.00 179.25 181.60 3itz h GLU 245 N 1.26 0.87 0.03 0.00 4.57 -2.01 -2.85 114.58 116.45 3itz h GLU 245 Ca 0.40 -0.27 -0.22 0.00 -1.18 0.00 0.00 59.36 58.10 3itz h GLU 245 Cb 0.02 -0.08 -0.01 0.00 -0.16 0.00 0.00 28.75 28.52 3itz h GLU 245 CO -0.13 0.90 -0.98 1.25 -1.18 0.00 0.00 179.01 178.86 3itz h LEU 246 N 0.80 0.24 -0.95 1.64 5.85 -1.92 -3.32 115.31 117.65 3itz h LEU 246 Ca 0.14 -0.22 0.07 0.00 0.84 0.00 0.00 57.88 58.71 3itz h LEU 246 Cb 0.54 -0.07 -0.07 0.00 0.37 0.00 0.00 40.66 41.43 3itz h LEU 246 CO 0.03 1.08 0.61 -0.07 -0.34 0.00 0.00 178.44 179.75 3itz h LEU 247 N 0.08 0.97 0.00 2.25 3.38 -1.19 -1.65 115.31 119.14 3itz h LEU 247 Ca -0.06 0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.93 3itz h LEU 247 Cb 1.66 -0.19 0.00 0.00 0.09 0.00 0.00 40.66 42.22 3itz h LEU 247 CO 0.15 0.61 0.00 2.29 0.09 0.00 0.00 178.44 181.58 3itz n LYS 248 N -4.55 0.01 0.16 1.13 2.85 -1.14 -2.54 118.16 114.08 3itz n LYS 248 Ca 0.14 0.05 0.12 0.00 -1.05 0.00 0.00 58.31 57.58 3itz n LYS 248 Cb 0.19 -1.50 0.12 0.00 -0.65 0.00 0.00 35.03 33.18 3itz n LYS 248 CO 0.00 0.00 0.00 0.87 -0.05 0.00 0.00 177.40 178.22 3itz h LYS 249 N 0.00 0.00 -6.13 -1.58 1.57 -1.40 -3.43 116.57 105.60 3itz h LYS 249 Ca 0.00 0.00 -0.51 0.00 -1.87 0.00 0.00 60.65 58.27 3itz h LYS 249 Cb 0.44 0.00 -0.07 0.00 0.08 0.00 0.00 32.23 32.68 3itz h LYS 249 CO 0.00 0.00 1.18 0.42 -0.57 0.00 0.00 179.45 180.48 3itz s ILE 250 N -3.26 3.62 0.45 1.86 1.01 -1.05 -4.83 121.20 118.99 3itz s ILE 250 Ca 0.04 0.04 0.23 0.00 0.00 0.00 0.00 60.65 60.96 3itz s ILE 250 Cb 0.08 -4.56 0.26 0.00 0.01 0.00 0.00 42.46 38.25 3itz s ILE 250 CO 0.72 -1.50 2.06 0.77 0.00 0.00 0.00 174.94 176.99 3itz h SER 251 N 11.51 0.00 -3.17 3.58 4.64 -1.65 -3.42 113.55 125.05 3itz h SER 251 Ca -0.14 0.00 -0.57 0.00 -0.47 0.00 0.00 61.79 60.61 3itz h SER 251 Cb 1.07 0.00 -0.05 0.00 -0.31 0.00 0.00 62.40 63.11 3itz h SER 251 CO 1.28 0.13 0.96 -0.55 -0.87 0.00 0.00 176.83 177.78 3itz s SER 252 N -6.45 6.69 0.16 4.97 0.15 -1.12 -4.93 113.70 113.17 3itz s SER 252 Ca -0.03 1.17 -0.16 0.00 0.70 0.00 0.00 55.95 57.63 3itz s SER 252 Cb 0.14 -2.54 0.04 0.00 -1.71 0.00 0.00 66.02 61.95 3itz s SER 252 CO 0.62 -1.07 1.79 -0.08 1.20 0.00 0.00 173.24 175.70 3itz h GLU 253 N 9.22 0.43 -0.56 5.44 4.57 -1.94 -1.23 114.58 130.52 3itz h GLU 253 Ca -0.26 -0.03 -0.10 0.00 -1.18 0.00 0.00 59.36 57.80 3itz h GLU 253 Cb 1.09 -0.10 -0.02 0.00 -0.16 0.00 0.00 28.75 29.57 3itz h GLU 253 CO 1.04 0.28 -0.04 1.03 -1.18 0.00 0.00 179.01 180.14 3itz h SER 254 N 0.44 1.00 -0.58 1.04 0.87 -1.96 -0.67 113.55 113.69 3itz h SER 254 Ca 0.16 -0.32 -0.09 0.00 -1.23 0.00 0.00 61.79 60.30 3itz h SER 254 Cb 0.03 -0.27 -0.02 0.00 -0.44 0.00 0.00 62.40 61.70 3itz h SER 254 CO -0.09 1.08 0.00 0.00 -0.53 0.00 0.00 176.83 177.30 3itz h ALA 255 N 0.95 0.87 -0.73 6.23 0.00 -1.91 -1.17 119.26 123.50 3itz h ALA 255 Ca 0.15 -0.31 -0.04 0.00 0.00 0.00 0.00 54.91 54.72 3itz h ALA 255 Cb 0.59 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 18.13 3itz h ALA 255 CO 0.04 0.66 0.32 -0.09 0.00 0.00 0.00 179.25 180.17 3itz h ARG 256 N 0.95 1.08 -0.64 0.00 2.43 -1.07 -1.93 114.38 115.20 3itz h ARG 256 Ca 0.17 -0.18 -0.01 0.00 -0.81 0.00 0.00 59.98 59.15 3itz h ARG 256 Cb 0.55 -0.18 -0.03 0.00 -0.42 0.00 0.00 29.97 29.89 3itz h ARG 256 CO 0.03 0.87 0.36 -0.91 -1.51 0.00 0.00 179.97 178.81 3itz h ASN 257 N 1.04 0.80 -0.33 -3.80 4.21 -0.79 -2.53 115.58 114.18 3itz h ASN 257 Ca 0.25 -0.09 -0.05 0.00 1.21 0.00 0.00 56.30 57.62 3itz h ASN 257 Cb 0.17 -0.20 -0.01 0.00 -1.12 0.00 0.00 38.32 37.16 3itz h ASN 257 CO -0.02 0.66 0.02 0.22 -1.29 0.00 0.00 177.43 177.01 3itz h TYR 258 N 0.88 0.62 -0.42 1.19 3.20 -1.06 -3.16 116.97 118.21 3itz h TYR 258 Ca 0.23 -0.10 0.06 0.00 3.14 0.00 0.00 58.73 62.06 3itz h TYR 258 Cb 0.03 -0.16 -0.06 0.00 1.54 0.00 0.00 36.73 38.08 3itz h TYR 258 CO -0.01 0.67 0.09 0.82 -1.64 0.00 0.00 178.16 178.10 3itz h ILE 259 N 0.38 0.79 0.00 1.81 1.08 -1.26 -2.18 117.51 118.13 3itz h ILE 259 Ca 0.10 -0.08 0.00 0.00 -0.39 0.00 0.00 64.86 64.49 3itz h ILE 259 Cb 0.41 0.54 0.00 0.00 -3.07 0.00 0.00 36.82 34.71 3itz h ILE 259 CO 0.01 0.04 0.00 1.56 -0.69 0.00 0.00 178.15 179.08 3itz h GLN 260 N 0.23 0.00 0.00 2.37 4.20 -1.45 -1.79 115.11 118.68 3itz h GLN 260 Ca 0.20 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.91 3itz h GLN 260 Cb 0.24 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.02 3itz h GLN 260 CO -0.26 0.00 0.00 0.66 -0.67 0.00 0.00 178.83 178.56 3itz h SER 261 N 0.00 0.00 -3.78 1.46 4.64 -1.36 -3.46 113.55 111.05 3itz h SER 261 Ca 0.00 0.00 -0.49 0.00 -0.47 0.00 0.00 61.79 60.83 3itz h SER 261 Cb 0.21 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.27 3itz h SER 261 CO 0.00 0.00 0.31 -0.76 -0.87 0.00 0.00 176.83 175.51 3itz s LEU 262 N -5.88 4.48 0.17 5.97 1.43 -0.67 -5.01 118.68 119.18 3itz s LEU 262 Ca 0.07 1.83 -0.32 0.00 -1.03 0.00 0.00 54.13 54.68 3itz s LEU 262 Cb 0.07 -3.76 -0.11 0.00 0.03 0.00 0.00 46.19 42.41 3itz s LEU 262 CO 0.63 0.05 1.70 -0.89 0.23 0.00 0.00 176.35 178.08 3itz s THR 263 N -1.40 2.32 0.16 5.49 2.01 -1.26 -4.93 115.64 118.03 3itz s THR 263 Ca 0.45 0.15 -0.30 0.00 0.31 0.00 0.00 61.69 62.30 3itz s THR 263 Cb -0.22 -3.10 -0.08 0.00 0.01 0.00 0.00 72.50 69.12 3itz s THR 263 CO 0.27 0.01 1.30 -1.10 -0.69 0.00 0.00 174.62 174.41 3itz s GLN 264 N 1.57 4.39 0.05 4.92 -0.21 -1.26 -4.93 119.66 124.18 3itz s GLN 264 Ca 0.75 2.00 0.07 0.00 0.02 0.00 0.00 55.36 58.21 3itz s GLN 264 Cb -0.47 -3.23 -0.03 0.00 1.00 0.00 0.00 33.01 30.29 3itz s GLN 264 CO 0.33 -0.27 -0.20 -1.64 -2.12 0.00 0.00 175.29 171.38 3itz s MET 265 N 0.26 1.32 0.58 2.91 -1.94 -1.26 -4.99 119.30 116.18 3itz s MET 265 Ca 0.58 -0.95 -0.08 0.00 -1.71 0.00 0.00 55.69 53.53 3itz s MET 265 Cb -0.35 -1.44 -0.02 0.00 2.01 0.00 0.00 34.83 35.02 3itz s MET 265 CO 0.35 0.36 0.92 -1.25 -0.01 0.00 0.00 175.02 175.40 3itz s PRO 266 N -1.26 3.33 0.28 2.03 0.04 -1.26 -1.87 135.00 136.28 3itz s PRO 266 Ca 0.07 0.35 -0.30 0.00 0.04 0.00 0.00 61.00 61.16 3itz s PRO 266 Cb -0.09 -2.22 -0.11 0.00 0.04 0.00 0.00 34.50 32.12 3itz s PRO 266 CO 0.02 -0.53 1.51 0.21 0.04 0.00 0.00 177.00 178.25 3itz s LYS 267 N -5.01 4.19 0.79 4.56 2.20 -1.26 -3.91 119.74 121.31 3itz s LYS 267 Ca 0.52 2.44 -0.11 0.00 -0.36 0.00 0.00 55.97 58.46 3itz s LYS 267 Cb -0.11 -3.06 0.06 0.00 -1.51 0.00 0.00 37.83 33.21 3itz s LYS 267 CO 0.48 -0.52 1.09 -1.64 -0.36 0.00 0.00 175.35 174.41 3itz s MET 268 N -0.56 2.19 -0.36 4.03 -1.94 -0.46 -4.91 119.30 117.28 3itz s MET 268 Ca 0.60 0.65 -0.29 0.00 -1.71 0.00 0.00 55.69 54.95 3itz s MET 268 Cb -0.45 -1.93 0.02 0.00 2.01 0.00 0.00 34.83 34.48 3itz s MET 268 CO 0.47 -1.55 1.18 1.21 -0.01 0.00 0.00 175.02 176.32 3itz s ASN 269 N -3.92 6.73 0.45 3.03 3.84 -1.26 -4.92 114.94 118.89 3itz s ASN 269 Ca 0.60 0.92 0.22 0.00 0.21 0.00 0.00 52.86 54.81 3itz s ASN 269 Cb -0.14 -2.54 1.05 0.00 -0.55 0.00 0.00 41.25 39.06 3itz s ASN 269 CO 0.54 -1.08 1.91 -0.26 -2.79 0.00 0.00 177.10 175.42 3itz h PHE 270 N 8.94 0.00 0.00 0.43 -1.00 -1.94 -2.35 116.94 121.02 3itz h PHE 270 Ca -0.23 0.00 -0.08 0.00 2.81 0.00 0.00 57.97 60.47 3itz h PHE 270 Cb 1.07 0.00 -0.01 0.00 3.61 0.00 0.00 35.95 40.62 3itz h PHE 270 CO 0.90 0.24 -0.36 0.00 -1.61 0.00 0.00 178.31 177.48 3itz h ALA 271 N 1.76 1.21 0.00 2.45 0.00 -1.91 0.27 119.26 123.03 3itz h ALA 271 Ca -0.00 -0.33 0.00 0.00 0.00 0.00 0.00 54.91 54.58 3itz h ALA 271 Cb 0.59 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.32 3itz h ALA 271 CO 0.03 0.45 -0.56 0.09 0.00 0.00 0.00 179.25 179.26 3itz n ASN 272 N -3.82 0.70 -0.09 0.00 5.03 -0.92 -3.82 115.26 112.34 3itz n ASN 272 Ca -0.01 0.16 -0.21 0.00 0.87 0.00 0.00 54.58 55.39 3itz n ASN 272 Cb 0.43 0.07 -0.12 0.00 -1.02 0.00 0.00 39.78 39.14 3itz n ASN 272 CO 0.00 0.00 0.00 0.58 -1.83 0.00 0.00 177.26 176.01 3itz h VAL 273 N 0.00 1.05 -2.60 2.41 2.07 -1.02 -3.40 116.25 114.76 3itz h VAL 273 Ca 0.00 -2.22 -0.81 0.00 0.82 0.00 0.00 66.70 64.49 3itz h VAL 273 Cb 0.74 2.44 -0.27 0.00 -1.52 0.00 0.00 31.29 32.68 3itz h VAL 273 CO 0.00 0.39 0.95 0.49 0.02 0.00 0.00 177.57 179.42 3itz n PHE 274 N -4.41 2.43 -2.32 1.57 3.72 0.91 -5.02 117.46 114.34 3itz n PHE 274 Ca -0.28 -2.57 -0.42 0.00 -0.05 0.00 0.00 57.45 54.12 3itz n PHE 274 Cb 0.67 -1.27 -0.03 0.00 -0.94 0.00 0.00 39.48 37.91 3itz n PHE 274 CO 0.00 0.00 0.00 0.42 -0.05 0.00 0.00 176.76 177.13 3itz s ILE 275 N -3.18 3.81 0.00 4.37 1.01 -1.25 -3.15 121.20 122.81 3itz s ILE 275 Ca 0.34 1.26 0.00 0.00 0.00 0.00 0.00 60.65 62.26 3itz s ILE 275 Cb 0.10 -3.81 0.00 0.00 0.01 0.00 0.00 42.46 38.76 3itz s ILE 275 CO 0.02 0.06 0.00 0.61 0.00 0.00 0.00 174.94 175.63 3itz n GLY 276 N 3.41 0.73 3.86 6.18 0.00 -1.26 -5.05 105.19 113.05 3itz n GLY 276 Ca 0.11 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.80 3itz n GLY 276 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3itz s ALA 277 N -2.65 3.45 -0.45 4.61 0.00 -1.19 -4.99 121.76 120.53 3itz s ALA 277 Ca 0.00 -0.09 -0.45 0.00 0.00 0.00 0.00 51.96 51.41 3itz s ALA 277 Cb 0.00 -2.62 -0.19 0.00 0.00 0.00 0.00 23.12 20.32 3itz s ALA 277 CO 0.00 0.41 1.67 -1.71 0.00 0.00 0.00 175.76 176.13 3itz n ASN 278 N -0.11 1.44 0.18 0.00 2.85 -1.26 -4.81 115.26 113.55 3itz n ASN 278 Ca 0.01 1.13 0.17 0.00 -0.11 0.00 0.00 54.58 55.79 3itz n ASN 278 Cb 0.53 -0.94 0.80 0.00 1.24 0.00 0.00 39.78 41.41 3itz n ASN 278 CO 0.00 0.00 0.00 -0.65 -2.11 0.00 0.00 177.26 174.50 3itz h PRO 279 N 5.75 0.00 -0.00 1.20 0.11 -1.96 0.68 132.00 137.78 3itz h PRO 279 Ca -0.43 0.00 -0.20 0.00 0.11 0.00 0.00 66.00 65.48 3itz h PRO 279 Cb 1.36 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.46 3itz h PRO 279 CO 0.98 0.00 -0.87 -0.07 -0.21 0.00 0.00 178.00 177.83 3itz h LEU 280 N 0.00 0.33 -0.43 2.35 3.38 -1.99 -2.05 115.31 116.89 3itz h LEU 280 Ca 0.11 -0.26 -0.01 0.00 0.09 0.00 0.00 57.88 57.80 3itz h LEU 280 Cb 0.58 -0.10 -0.02 0.00 0.09 0.00 0.00 40.66 41.21 3itz h LEU 280 CO -0.00 1.05 0.22 0.00 0.09 0.00 0.00 178.44 179.80 3itz h ALA 281 N 0.93 0.56 -0.76 1.53 0.00 -1.24 -2.24 119.26 118.04 3itz h ALA 281 Ca -0.05 -0.10 -0.05 0.00 0.00 0.00 0.00 54.91 54.70 3itz h ALA 281 Cb 1.50 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 19.08 3itz h ALA 281 CO 0.14 0.11 0.27 0.28 0.00 0.00 0.00 179.25 180.04 3itz h VAL 282 N 0.56 1.26 0.00 0.00 2.07 -1.35 -1.23 116.25 117.56 3itz h VAL 282 Ca 0.15 -0.87 -0.00 0.00 0.82 0.00 0.00 66.70 66.80 3itz h VAL 282 Cb 0.10 0.40 0.00 0.00 -1.52 0.00 0.00 31.29 30.27 3itz h VAL 282 CO -0.02 0.35 -0.00 -0.78 0.02 0.00 0.00 177.57 177.13 3itz h ASP 283 N 1.11 -0.00 -0.74 0.57 3.58 -1.24 -1.53 116.42 118.17 3itz h ASP 283 Ca 0.25 -0.01 -0.05 0.00 0.42 0.00 0.00 57.03 57.64 3itz h ASP 283 Cb 0.27 0.00 -0.03 0.00 1.72 0.00 0.00 39.33 41.29 3itz h ASP 283 CO -0.01 0.01 0.28 0.25 -2.88 0.00 0.00 179.24 176.89 3itz h LEU 284 N -0.02 1.03 -1.18 2.28 5.85 -1.33 -2.43 115.31 119.51 3itz h LEU 284 Ca -0.00 -0.18 0.09 0.00 0.84 0.00 0.00 57.88 58.63 3itz h LEU 284 Cb 0.02 -0.27 -0.06 0.00 0.37 0.00 0.00 40.66 40.72 3itz h LEU 284 CO 0.00 0.93 0.58 0.25 -0.34 0.00 0.00 178.44 179.86 3itz h LEU 285 N 1.07 0.83 -1.21 2.25 5.85 -1.03 -0.89 115.31 122.19 3itz h LEU 285 Ca 0.24 0.02 -0.08 0.00 0.84 0.00 0.00 57.88 58.90 3itz h LEU 285 Cb 0.23 -0.16 -0.01 0.00 0.37 0.00 0.00 40.66 41.10 3itz h LEU 285 CO -0.02 0.50 -0.34 -0.33 -0.34 0.00 0.00 178.44 177.91 3itz h GLU 286 N 0.93 0.09 0.00 1.25 5.08 -0.81 -1.69 114.58 119.44 3itz h GLU 286 Ca 0.40 -0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.73 3itz h GLU 286 Cb 0.34 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.59 3itz h GLU 286 CO -0.17 0.43 -0.39 1.63 -1.00 0.00 0.00 179.01 179.51 3itz n LYS 287 N -4.11 0.27 -0.07 2.33 5.02 -0.44 -3.90 118.16 117.25 3itz n LYS 287 Ca -0.02 0.13 -0.22 0.00 -2.02 0.00 0.00 58.31 56.18 3itz n LYS 287 Cb 0.40 -1.72 -0.12 0.00 -0.02 0.00 0.00 35.03 33.57 3itz n LYS 287 CO 0.00 0.00 0.00 -1.33 -0.52 0.00 0.00 177.40 175.55 3itz n MET 288 N -2.14 0.65 -2.26 1.97 2.81 -0.59 -0.90 117.12 116.67 3itz n MET 288 Ca 0.04 0.37 -0.41 0.00 -1.81 0.00 0.00 57.70 55.89 3itz n MET 288 Cb 0.43 -1.68 0.00 0.00 -0.71 0.00 0.00 33.22 31.26 3itz n MET 288 CO 0.00 0.00 0.00 1.28 1.51 0.00 0.00 175.97 178.76 3itz n LEU 289 N -3.92 7.30 -4.61 4.03 4.77 -0.65 -4.38 117.00 119.54 3itz n LEU 289 Ca -0.36 -4.85 -0.34 0.00 -0.03 0.00 0.00 56.01 50.42 3itz n LEU 289 Cb 0.88 -1.39 -0.10 0.00 -2.33 0.00 0.00 43.42 40.48 3itz n LEU 289 CO 0.27 1.75 -0.27 -0.69 -1.33 0.00 0.00 177.39 177.12 3itz s VAL 290 N -0.88 4.58 0.10 4.08 1.01 -1.26 -4.89 120.40 123.15 3itz s VAL 290 Ca 0.45 -0.11 -0.22 0.00 0.00 0.00 0.00 61.98 62.10 3itz s VAL 290 Cb 0.14 -3.05 -0.12 0.00 0.00 0.00 0.00 36.38 33.36 3itz s VAL 290 CO -0.04 0.48 1.73 0.25 0.00 0.00 0.00 175.10 177.52 3itz h LEU 291 N 6.56 -0.05 -8.99 3.92 5.85 -1.90 -3.39 115.31 117.31 3itz h LEU 291 Ca -0.37 0.02 -0.57 0.00 0.84 0.00 0.00 57.88 57.80 3itz h LEU 291 Cb 1.17 0.04 -0.03 0.00 0.37 0.00 0.00 40.66 42.21 3itz h LEU 291 CO 0.68 -0.02 1.09 -0.62 -0.34 0.00 0.00 178.44 179.23 3itz s ASP 292 N -5.19 6.42 0.47 1.25 -1.08 -1.26 -4.90 116.67 112.37 3itz s ASP 292 Ca -0.13 1.44 0.13 0.00 -0.52 0.00 0.00 52.55 53.47 3itz s ASP 292 Cb 0.07 -2.53 1.07 0.00 -1.46 0.00 0.00 42.92 40.07 3itz s ASP 292 CO 0.67 -1.25 2.07 0.77 0.52 0.00 0.00 175.17 177.95 3itz h SER 293 N 10.49 0.13 -0.00 -0.34 4.64 -1.96 -1.94 113.55 124.55 3itz h SER 293 Ca -0.31 -0.01 -0.01 0.00 -0.47 0.00 0.00 61.79 60.99 3itz h SER 293 Cb 1.14 -0.03 -0.00 0.00 -0.31 0.00 0.00 62.40 63.19 3itz h SER 293 CO 1.02 0.15 -0.01 0.44 -0.87 0.00 0.00 176.83 177.56 3itz h ASP 294 N 0.14 0.05 -0.06 4.97 3.45 -1.94 -2.99 116.42 120.05 3itz h ASP 294 Ca 0.04 -0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.49 3itz h ASP 294 Cb 0.10 -0.01 0.00 0.00 -0.56 0.00 0.00 39.33 38.85 3itz h ASP 294 CO 0.00 0.07 0.00 0.29 -1.57 0.00 0.00 179.24 178.03 3itz n LYS 295 N -4.49 2.18 -2.24 3.56 5.02 -0.73 -4.94 118.16 116.52 3itz n LYS 295 Ca -0.02 -1.73 -0.37 0.00 -2.02 0.00 0.00 58.31 54.17 3itz n LYS 295 Cb 0.12 -1.47 -0.01 0.00 -0.02 0.00 0.00 35.03 33.65 3itz n LYS 295 CO 0.00 0.00 0.00 1.03 -0.52 0.00 0.00 177.40 177.91 3itz s ARG 296 N -1.96 3.68 0.39 1.97 0.52 -1.13 -4.97 118.95 117.47 3itz s ARG 296 Ca 0.31 1.78 -0.27 0.00 -0.52 0.00 0.00 55.73 57.03 3itz s ARG 296 Cb 0.20 -2.36 -0.10 0.00 0.52 0.00 0.00 34.95 33.22 3itz s ARG 296 CO 0.31 -0.61 1.42 -1.50 0.02 0.00 0.00 175.30 174.94 3itz s ILE 297 N -1.56 2.21 0.53 1.52 2.07 -0.07 -5.04 121.20 120.87 3itz s ILE 297 Ca 0.65 0.21 -0.03 0.00 -1.41 0.00 0.00 60.65 60.07 3itz s ILE 297 Cb -0.29 -3.13 0.01 0.00 0.13 0.00 0.00 42.46 39.18 3itz s ILE 297 CO 0.34 0.04 0.80 0.42 -1.91 0.00 0.00 174.94 174.64 3itz s THR 298 N -1.16 3.70 0.17 4.00 -4.23 -1.26 -4.90 115.64 111.96 3itz s THR 298 Ca 0.55 -0.24 -0.14 0.00 -1.18 0.00 0.00 61.69 60.68 3itz s THR 298 Cb -0.44 -3.43 0.05 0.00 1.34 0.00 0.00 72.50 70.03 3itz s THR 298 CO 0.58 -0.38 1.80 0.00 -0.54 0.00 0.00 174.62 176.09 3itz h ALA 299 N 0.06 0.59 -0.62 3.99 0.00 -1.94 -0.51 119.26 120.83 3itz h ALA 299 Ca -0.45 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.46 3itz h ALA 299 Cb 1.26 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 18.91 3itz h ALA 299 CO 0.59 -0.06 0.40 0.00 0.00 0.00 0.00 179.25 180.17 3itz h ALA 300 N 1.22 0.79 -0.60 0.00 0.00 -1.93 -2.30 119.26 116.44 3itz h ALA 300 Ca 0.19 -0.06 -0.06 0.00 0.00 0.00 0.00 54.91 54.99 3itz h ALA 300 Cb 0.05 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.56 3itz h ALA 300 CO -0.10 0.24 0.16 1.96 0.00 0.00 0.00 179.25 181.50 3itz h GLN 301 N 0.84 0.95 -0.06 0.00 4.20 -1.87 -3.09 115.11 116.08 3itz h GLN 301 Ca 0.23 -0.22 -0.07 0.00 0.06 0.00 0.00 58.65 58.64 3itz h GLN 301 Cb -0.07 -0.13 -0.01 0.00 0.30 0.00 0.00 27.48 27.57 3itz h GLN 301 CO -0.05 0.87 -0.28 0.00 -0.67 0.00 0.00 178.83 178.70 3itz h ALA 302 N 1.04 1.42 -0.44 3.87 0.00 -0.88 -2.59 119.26 121.68 3itz h ALA 302 Ca 0.19 -0.29 -0.00 0.00 0.00 0.00 0.00 54.91 54.81 3itz h ALA 302 Cb 0.33 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.03 3itz h ALA 302 CO -0.00 0.42 0.27 -0.07 0.00 0.00 0.00 179.25 179.87 3itz h LEU 303 N 0.10 0.52 -0.15 0.00 3.38 -1.33 -1.24 115.31 116.59 3itz h LEU 303 Ca 0.01 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.96 3itz h LEU 303 Cb 0.55 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 41.17 3itz h LEU 303 CO 0.04 0.40 -0.01 0.00 0.09 0.00 0.00 178.44 178.96 3itz n ALA 304 N -2.47 2.66 -1.77 1.53 0.00 -0.98 -4.76 120.51 114.73 3itz n ALA 304 Ca 0.04 -0.23 -0.40 0.00 0.00 0.00 0.00 53.44 52.84 3itz n ALA 304 Cb 0.07 -1.45 -0.03 0.00 0.00 0.00 0.00 19.45 18.04 3itz n ALA 304 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.50 175.92 3itz s HIS 305 N -2.09 3.24 0.64 0.00 5.04 -0.47 -4.91 115.29 116.74 3itz s HIS 305 Ca 0.43 1.55 0.35 0.00 -1.54 0.00 0.00 55.06 55.85 3itz s HIS 305 Cb 0.22 -3.48 1.92 0.00 0.04 0.00 0.00 32.58 31.27 3itz s HIS 305 CO 0.38 -1.27 2.13 0.00 -2.34 0.00 0.00 174.74 173.64 3itz h ALA 306 N 3.38 1.37 0.00 1.58 0.00 -1.90 -1.36 119.26 122.33 3itz h ALA 306 Ca -0.48 -0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.42 3itz h ALA 306 Cb 1.22 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 19.02 3itz h ALA 306 CO 0.65 -0.21 -0.05 -0.92 0.00 0.00 0.00 179.25 178.72 3itz h TYR 307 N 0.00 0.00 -0.76 0.00 3.20 -1.91 -2.64 116.97 114.86 3itz h TYR 307 Ca 0.03 0.00 -0.34 0.00 3.14 0.00 0.00 58.73 61.56 3itz h TYR 307 Cb 0.39 0.00 -0.20 0.00 1.54 0.00 0.00 36.73 38.46 3itz h TYR 307 CO 0.00 0.05 0.37 1.19 -1.64 0.00 0.00 178.16 178.13 3itz n PHE 308 N -4.46 2.39 -0.30 -3.82 3.72 -0.51 -4.75 117.46 109.73 3itz n PHE 308 Ca -0.03 -1.58 0.01 0.00 -0.05 0.00 0.00 57.45 55.81 3itz n PHE 308 Cb 0.13 -0.75 0.15 0.00 -0.94 0.00 0.00 39.48 38.07 3itz n PHE 308 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 3itz h ALA 309 N 1.49 1.16 0.00 4.37 0.00 -1.61 0.16 119.26 124.83 3itz h ALA 309 Ca 0.42 0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.34 3itz h ALA 309 Cb 2.41 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 20.02 3itz h ALA 309 CO 0.82 0.18 0.00 0.00 0.00 0.00 0.00 179.25 180.25 3itz n GLN 310 N -4.69 0.49 -0.00 0.00 10.64 -1.26 -3.79 117.38 118.77 3itz n GLN 310 Ca 0.13 0.01 -0.00 0.00 -1.83 0.00 0.00 57.00 55.30 3itz n GLN 310 Cb 0.22 -1.50 -0.01 0.00 -0.86 0.00 0.00 30.24 28.09 3itz n GLN 310 CO 0.00 0.00 0.00 0.66 -1.83 0.00 0.00 177.06 175.89 3itz n TYR 311 N -1.25 0.00 -1.76 2.61 4.01 -0.73 -5.05 117.16 114.99 3itz n TYR 311 Ca 0.15 0.00 -0.42 0.00 -0.16 0.00 0.00 57.90 57.47 3itz n TYR 311 Cb 0.22 -0.06 -0.03 0.00 -0.31 0.00 0.00 39.34 39.16 3itz n TYR 311 CO 0.00 0.00 0.00 -1.58 -0.46 0.00 0.00 176.86 174.82 3itz s HIS 312 N -2.06 1.86 -0.30 -0.72 2.46 0.50 -4.98 115.29 112.04 3itz s HIS 312 Ca -0.01 -0.10 -0.03 0.00 0.47 0.00 0.00 55.06 55.39 3itz s HIS 312 Cb 0.01 -4.14 0.10 0.00 -0.13 0.00 0.00 32.58 28.42 3itz s HIS 312 CO 0.06 -4.86 0.13 0.34 -2.47 0.00 0.00 174.74 167.94 3itz s ASP 313 N 3.34 3.63 0.64 9.88 -1.08 -1.26 -5.00 116.67 126.83 3itz s ASP 313 Ca 0.82 -1.44 0.40 0.00 -0.52 0.00 0.00 52.55 51.81 3itz s ASP 313 Cb -0.43 -0.49 2.20 0.00 -1.46 0.00 0.00 42.92 42.75 3itz s ASP 313 CO 0.37 -0.42 2.24 1.55 0.52 0.00 0.00 175.17 179.42 3itz h PRO 314 N 8.23 0.00 -0.01 4.34 0.13 -1.97 0.10 132.00 142.83 3itz h PRO 314 Ca -0.17 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.96 3itz h PRO 314 Cb 1.01 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.14 3itz h PRO 314 CO 0.44 0.00 -0.17 -0.25 -0.23 0.00 0.00 178.00 177.78 3itz n ASP 315 N -2.98 1.19 -2.53 1.44 8.00 -1.26 -4.17 116.55 116.24 3itz n ASP 315 Ca -0.03 -1.09 -0.11 0.00 0.71 0.00 0.00 54.79 54.27 3itz n ASP 315 Cb 0.13 0.09 0.03 0.00 -0.02 0.00 0.00 41.12 41.35 3itz n ASP 315 CO 0.00 0.00 0.00 -0.67 -0.39 0.00 0.00 177.20 176.14 3itz n ASP 316 N -0.37 2.88 -3.25 -2.24 2.03 0.35 -4.88 116.55 111.07 3itz n ASP 316 Ca 0.14 -2.81 -0.25 0.00 0.52 0.00 0.00 54.79 52.40 3itz n ASP 316 Cb 0.35 -0.44 -0.07 0.00 -0.72 0.00 0.00 41.12 40.24 3itz n ASP 316 CO 0.00 0.00 0.00 -0.62 -1.92 0.00 0.00 177.20 174.66 3itz n GLU 317 N -0.55 1.17 -2.06 -0.67 1.02 -1.19 -4.88 120.64 113.48 3itz n GLU 317 Ca 0.22 -3.59 -0.32 0.00 -0.02 0.00 0.00 57.16 53.44 3itz n GLU 317 Cb 0.84 -1.48 0.00 0.00 -0.02 0.00 0.00 31.44 30.78 3itz n GLU 317 CO 0.00 0.00 0.00 -1.25 1.18 0.00 0.00 177.13 177.06 3itz s PRO 318 N -1.50 3.47 0.43 3.49 0.04 -1.26 -4.98 135.00 134.69 3itz s PRO 318 Ca 0.36 1.05 0.05 0.00 0.04 0.00 0.00 61.00 62.51 3itz s PRO 318 Cb 0.16 -2.06 0.01 0.00 0.04 0.00 0.00 34.50 32.65 3itz s PRO 318 CO -0.09 -0.67 0.60 0.14 0.04 0.00 0.00 177.00 177.02 3itz s VAL 319 N -2.66 3.29 0.43 -0.36 -7.23 -1.26 -4.25 120.40 108.36 3itz s VAL 319 Ca 0.61 -0.88 0.07 0.00 -1.81 0.00 0.00 61.98 59.97 3itz s VAL 319 Cb -0.13 -3.15 0.01 0.00 0.56 0.00 0.00 36.38 33.67 3itz s VAL 319 CO 0.39 -0.07 0.59 0.00 -0.31 0.00 0.00 175.10 175.70 3itz s ALA 320 N -2.42 4.44 0.71 1.32 0.00 -1.26 -5.02 121.76 119.53 3itz s ALA 320 Ca 0.52 -1.61 -0.11 0.00 0.00 0.00 0.00 51.96 50.76 3itz s ALA 320 Cb -0.10 -1.69 0.01 0.00 0.00 0.00 0.00 23.12 21.35 3itz s ALA 320 CO 0.34 -0.32 1.06 -0.51 0.00 0.00 0.00 175.76 176.34 3itz s ASP 321 N -4.35 5.28 0.34 0.00 -0.00 -1.26 -4.66 116.67 112.03 3itz s ASP 321 Ca 0.55 1.61 -0.28 0.00 -0.00 0.00 0.00 52.55 54.42 3itz s ASP 321 Cb -0.10 -2.47 -0.10 0.00 -0.00 0.00 0.00 42.92 40.25 3itz s ASP 321 CO 0.33 -1.50 1.28 -2.16 -0.00 0.00 0.00 175.17 173.12 3itz s PRO 322 N -5.04 4.33 -0.24 8.23 0.04 -1.26 -4.32 135.00 136.73 3itz s PRO 322 Ca 0.58 2.15 -0.14 0.00 0.04 0.00 0.00 61.00 63.63 3itz s PRO 322 Cb -0.14 -3.03 -0.04 0.00 0.04 0.00 0.00 34.50 31.33 3itz s PRO 322 CO 0.55 -0.18 0.32 -0.47 0.04 0.00 0.00 177.00 177.26 3itz s TYR 323 N -1.17 3.30 -0.68 0.56 5.04 -0.84 -5.03 117.35 118.53 3itz s TYR 323 Ca 0.50 0.41 -0.24 0.00 -2.44 0.00 0.00 57.07 55.30 3itz s TYR 323 Cb -0.38 -2.48 0.06 0.00 0.35 0.00 0.00 41.96 39.51 3itz s TYR 323 CO 0.51 -0.09 1.07 0.34 -1.34 0.00 0.00 175.55 176.04 3itz s ASP 324 N 1.33 6.18 -0.19 4.32 -1.08 -1.26 -4.85 116.67 121.12 3itz s ASP 324 Ca 0.14 -0.77 0.16 0.00 -0.52 0.00 0.00 52.55 51.55 3itz s ASP 324 Cb -0.15 -2.47 0.73 0.00 -1.46 0.00 0.00 42.92 39.57 3itz s ASP 324 CO 0.08 -1.57 1.65 0.00 0.52 0.00 0.00 175.17 175.85 3itz n GLN 325 N 8.29 4.19 0.34 4.34 10.64 -1.26 -4.60 117.38 139.31 3itz n GLN 325 Ca -0.01 -3.01 0.17 0.00 -1.83 0.00 0.00 57.00 52.32 3itz n GLN 325 Cb 0.47 -2.07 0.92 0.00 -0.86 0.00 0.00 30.24 28.70 3itz n GLN 325 CO 0.00 0.00 0.00 0.66 -1.83 0.00 0.00 177.06 175.89 3itz h SER 326 N 3.58 0.00 0.72 2.61 4.64 -2.03 0.34 113.55 123.42 3itz h SER 326 Ca 0.00 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 61.30 3itz h SER 326 Cb 1.71 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.80 3itz h SER 326 CO 0.36 0.00 -0.09 2.19 -0.87 0.00 0.00 176.83 178.42 3itz h PHE 327 N 0.00 0.00 -0.63 4.77 -0.00 -1.96 -3.17 116.94 115.95 3itz h PHE 327 Ca 0.00 0.00 -0.01 0.00 -0.00 0.00 0.00 57.97 57.96 3itz h PHE 327 Cb 0.51 0.00 -0.03 0.00 -0.00 0.00 0.00 35.95 36.43 3itz h PHE 327 CO 0.00 0.09 0.36 0.93 -0.00 0.00 0.00 178.31 179.69 3itz h GLU 328 N 0.00 0.86 -0.58 6.09 4.39 -1.30 -1.84 114.58 122.20 3itz h GLU 328 Ca -0.00 -0.08 0.00 0.00 0.34 0.00 0.00 59.36 59.62 3itz h GLU 328 Cb 0.48 -0.18 0.00 0.00 -0.10 0.00 0.00 28.75 28.95 3itz h GLU 328 CO 0.01 0.62 0.00 -1.13 -1.16 0.00 0.00 179.01 177.36 3itz n SER 329 N -4.39 3.01 -4.65 1.42 3.41 -1.20 -4.88 113.62 106.34 3itz n SER 329 Ca 0.06 -2.25 -0.35 0.00 -0.26 0.00 0.00 58.87 56.07 3itz n SER 329 Cb 0.09 -0.44 -0.09 0.00 -0.26 0.00 0.00 64.21 63.50 3itz n SER 329 CO 0.00 0.00 0.00 -0.60 -0.16 0.00 0.00 175.04 174.28 3itz s ARG 330 N -1.70 3.88 -0.27 4.33 3.52 -0.69 -5.08 118.95 122.93 3itz s ARG 330 Ca 0.31 -0.34 -0.09 0.00 -0.13 0.00 0.00 55.73 55.47 3itz s ARG 330 Cb 0.19 -3.18 -0.04 0.00 -1.56 0.00 0.00 34.95 30.37 3itz s ARG 330 CO 0.15 0.34 0.14 -0.51 -0.81 0.00 0.00 175.30 174.61 3itz s ASP 331 N 0.19 5.62 0.11 -2.12 1.01 -1.26 -5.03 116.67 115.19 3itz s ASP 331 Ca 0.04 -0.14 0.01 0.00 0.71 0.00 0.00 52.55 53.17 3itz s ASP 331 Cb -0.12 -2.03 -0.04 0.00 1.01 0.00 0.00 42.92 41.73 3itz s ASP 331 CO 0.00 -0.06 -0.03 -0.76 0.21 0.00 0.00 175.17 174.54 3itz s LEU 332 N 1.69 2.33 0.76 1.23 1.43 -1.26 -5.16 118.68 119.69 3itz s LEU 332 Ca 0.07 -1.07 -0.12 0.00 -1.03 0.00 0.00 54.13 51.99 3itz s LEU 332 Cb -0.16 0.05 0.05 0.00 0.03 0.00 0.00 46.19 46.16 3itz s LEU 332 CO 0.08 -0.55 1.11 -0.76 0.23 0.00 0.00 176.35 176.45 3itz s LEU 333 N -3.04 2.72 0.16 1.79 1.43 -1.26 -4.89 118.68 115.58 3itz s LEU 333 Ca 0.15 1.16 -0.17 0.00 -1.03 0.00 0.00 54.13 54.24 3itz s LEU 333 Cb 0.06 -3.84 0.08 0.00 0.03 0.00 0.00 46.19 42.53 3itz s LEU 333 CO -0.03 -1.68 1.70 0.40 0.23 0.00 0.00 176.35 176.97 3itz h ILE 334 N -0.89 0.71 0.00 -0.59 2.04 -1.92 -2.14 117.51 114.72 3itz h ILE 334 Ca -0.46 -0.03 -0.01 0.00 1.00 0.00 0.00 64.86 65.36 3itz h ILE 334 Cb 1.27 0.62 -0.00 0.00 -0.74 0.00 0.00 36.82 37.97 3itz h ILE 334 CO 0.62 0.01 -0.07 0.44 0.00 0.00 0.00 178.15 179.16 3itz h ASP 335 N 0.08 0.00 0.31 1.72 3.45 -1.95 -0.41 116.42 119.62 3itz h ASP 335 Ca 0.18 0.00 -0.27 0.00 0.43 0.00 0.00 57.03 57.37 3itz h ASP 335 Cb 0.25 0.00 0.02 0.00 -0.56 0.00 0.00 39.33 39.04 3itz h ASP 335 CO -0.31 0.07 -1.15 -0.33 -1.57 0.00 0.00 179.24 175.94 3itz h GLU 336 N 0.00 0.48 -0.48 3.56 5.08 -1.78 -1.78 114.58 119.66 3itz h GLU 336 Ca -0.00 -0.63 -0.12 0.00 -1.00 0.00 0.00 59.36 57.60 3itz h GLU 336 Cb 0.14 0.21 -0.01 0.00 0.50 0.00 0.00 28.75 29.59 3itz h GLU 336 CO 0.01 1.26 -0.18 -1.49 -1.00 0.00 0.00 179.01 177.61 3itz h TRP 337 N 0.22 1.11 -0.38 4.33 -0.00 -0.91 -1.98 115.95 118.35 3itz h TRP 337 Ca -0.14 -0.26 -0.01 0.00 -0.00 0.00 0.00 58.89 58.48 3itz h TRP 337 Cb 1.83 -0.26 -0.02 0.00 -0.00 0.00 0.00 29.16 30.71 3itz h TRP 337 CO 0.09 1.07 0.21 -0.22 -0.00 0.00 0.00 178.44 179.59 3itz h LYS 338 N 0.83 0.53 -0.44 0.49 3.64 -1.13 -0.31 116.57 120.17 3itz h LYS 338 Ca 0.11 -0.06 -0.03 0.00 -1.27 0.00 0.00 60.65 59.41 3itz h LYS 338 Cb 0.76 -0.10 -0.02 0.00 -0.41 0.00 0.00 32.23 32.45 3itz h LYS 338 CO 0.06 0.43 0.17 1.03 -2.27 0.00 0.00 179.45 178.88 3itz h SER 339 N 0.48 0.61 -0.97 4.20 0.87 -1.32 0.47 113.55 117.90 3itz h SER 339 Ca 0.13 -0.17 0.05 0.00 -1.23 0.00 0.00 61.79 60.57 3itz h SER 339 Cb 0.06 -0.16 -0.06 0.00 -0.44 0.00 0.00 62.40 61.80 3itz h SER 339 CO -0.02 0.62 0.63 -0.07 -0.53 0.00 0.00 176.83 177.46 3itz h LEU 340 N 0.57 1.03 -0.10 2.23 3.38 -1.24 -0.50 115.31 120.67 3itz h LEU 340 Ca 0.15 -0.00 -0.02 0.00 0.09 0.00 0.00 57.88 58.09 3itz h LEU 340 Cb 0.20 -0.22 -0.00 0.00 0.09 0.00 0.00 40.66 40.72 3itz h LEU 340 CO -0.01 0.68 -0.03 0.74 0.09 0.00 0.00 178.44 179.91 3itz h THR 341 N 1.18 1.29 -0.62 0.22 2.02 -0.70 -2.62 112.91 113.68 3itz h THR 341 Ca 0.40 -0.97 0.08 0.00 0.77 0.00 0.00 66.41 66.70 3itz h THR 341 Cb 0.10 1.73 -0.06 0.00 -1.74 0.00 0.00 68.15 68.17 3itz h THR 341 CO -0.14 0.27 0.27 0.22 0.37 0.00 0.00 175.52 176.52 3itz h TYR 342 N -0.12 0.49 -0.47 3.16 3.20 -0.68 -1.44 116.97 121.10 3itz h TYR 342 Ca 0.03 0.03 0.08 0.00 3.14 0.00 0.00 58.73 62.00 3itz h TYR 342 Cb 0.44 -0.13 -0.07 0.00 1.54 0.00 0.00 36.73 38.52 3itz h TYR 342 CO 0.05 0.17 0.09 -0.44 -1.64 0.00 0.00 178.16 176.39 3itz h ASP 343 N 0.49 -0.01 -0.21 -2.11 3.32 -1.06 -1.99 116.42 114.85 3itz h ASP 343 Ca 0.30 0.09 -0.07 0.00 0.02 0.00 0.00 57.03 57.37 3itz h ASP 343 Cb 0.31 0.12 -0.02 0.00 0.22 0.00 0.00 39.33 39.97 3itz h ASP 343 CO -0.26 0.02 -0.07 -0.33 -1.72 0.00 0.00 179.24 176.89 3itz h GLU 344 N 0.22 0.56 0.14 3.56 4.39 -0.95 -1.77 114.58 120.73 3itz h GLU 344 Ca 0.23 -0.15 -0.01 0.00 0.34 0.00 0.00 59.36 59.78 3itz h GLU 344 Cb 0.31 -0.07 0.00 0.00 -0.10 0.00 0.00 28.75 28.89 3itz h GLU 344 CO -0.31 0.63 -0.07 0.28 -1.16 0.00 0.00 179.01 178.38 3itz h VAL 345 N 0.52 1.00 0.00 3.13 2.07 -0.89 -3.07 116.25 119.01 3itz h VAL 345 Ca 0.10 -0.69 -0.06 0.00 0.82 0.00 0.00 66.70 66.87 3itz h VAL 345 Cb 0.44 1.42 -0.01 0.00 -1.52 0.00 0.00 31.29 31.62 3itz h VAL 345 CO 0.02 0.16 -0.30 0.16 0.02 0.00 0.00 177.57 177.63 3itz h ILE 346 N -0.53 0.73 -0.00 4.57 3.07 -1.33 -2.95 117.51 121.07 3itz h ILE 346 Ca -0.02 -1.30 0.00 0.00 1.55 0.00 0.00 64.86 65.09 3itz h ILE 346 Cb 0.41 1.83 0.00 0.00 -0.27 0.00 0.00 36.82 38.79 3itz h ILE 346 CO 0.03 0.29 -0.12 -1.54 -1.05 0.00 0.00 178.15 175.76 3itz n SER 347 N -3.49 0.59 -4.71 2.16 3.41 -0.67 -4.91 113.62 105.99 3itz n SER 347 Ca -0.00 -0.68 -0.42 0.00 -0.26 0.00 0.00 58.87 57.51 3itz n SER 347 Cb 0.46 -0.04 -0.03 0.00 -0.26 0.00 0.00 64.21 64.34 3itz n SER 347 CO 0.00 0.00 0.00 0.12 -0.16 0.00 0.00 175.04 175.00 3itz s PHE 348 N -2.44 2.76 -0.21 7.33 5.36 -1.12 -5.00 117.98 124.66 3itz s PHE 348 Ca 0.29 0.35 -0.03 0.00 -0.96 0.00 0.00 56.93 56.59 3itz s PHE 348 Cb 0.20 -4.07 -0.00 0.00 -0.34 0.00 0.00 43.02 38.81 3itz s PHE 348 CO 0.47 -4.12 -0.08 0.54 -1.46 0.00 0.00 175.22 170.57 3itz s VAL 349 N 1.60 3.07 0.72 3.12 0.11 -1.26 -5.06 120.40 122.70 3itz s VAL 349 Ca 0.75 -0.61 -0.16 0.00 -2.93 0.00 0.00 61.98 59.02 3itz s VAL 349 Cb -0.46 -2.39 -0.02 0.00 -1.53 0.00 0.00 36.38 31.98 3itz s VAL 349 CO 0.33 0.44 0.67 -2.65 -3.33 0.00 0.00 175.10 170.55 3itz n PRO 350 N 4.75 0.36 -1.93 1.54 -0.02 -1.26 -4.98 135.00 133.45 3itz n PRO 350 Ca -0.19 0.17 -0.34 0.00 -2.02 0.00 0.00 63.50 61.12 3itz n PRO 350 Cb 0.50 -1.95 0.03 0.00 -0.02 0.00 0.00 33.50 32.07 3itz n PRO 350 CO 0.00 0.00 0.00 -2.14 1.98 0.00 0.00 175.50 175.34 3itz s PRO 351 N -2.94 2.96 -1.26 0.52 0.02 -1.26 -4.95 135.00 128.09 3itz s PRO 351 Ca 0.68 1.52 -0.14 0.00 0.02 0.00 0.00 61.00 63.08 3itz s PRO 351 Cb -0.35 -1.96 0.14 0.00 0.02 0.00 0.00 34.50 32.35 3itz s PRO 351 CO 0.56 -1.14 1.65 -0.35 -0.33 0.00 0.00 177.00 177.38 3itz n PRO 352 N -1.98 3.34 0.00 5.54 -0.04 -1.26 -5.18 135.00 135.42 3itz n PRO 352 Ca 0.11 -3.56 0.15 0.00 -0.04 0.00 0.00 63.50 60.16 3itz n PRO 352 Cb 0.51 -3.15 0.82 0.00 -0.04 0.00 0.00 33.50 31.64 3itz n PRO 352 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74