#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ece n GLY 2 N 0.00 0.95 3.77 0.00 0.00 -1.26 -1.62 105.19 107.03 1ece n GLY 2 Ca 0.00 -0.04 -0.38 0.00 0.00 0.00 0.00 46.02 45.60 1ece n GLY 2 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1ece s GLY 3 N -2.03 2.88 0.21 -0.02 0.00 -1.26 -4.77 107.32 102.33 1ece s GLY 3 Ca 0.00 0.84 0.00 0.00 0.00 0.00 0.00 44.72 45.56 1ece s GLY 3 CO 0.00 1.35 0.00 0.61 0.00 0.00 0.00 173.10 175.06 1ece n GLY 4 N 0.70 -1.68 3.77 0.20 0.00 -1.26 -1.50 105.19 105.42 1ece n GLY 4 Ca 0.03 -1.30 -0.35 0.00 0.00 0.00 0.00 46.02 44.40 1ece n GLY 4 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1ece s TYR 5 N -1.80 2.64 0.38 1.61 2.02 -1.26 -4.53 117.35 116.41 1ece s TYR 5 Ca 0.00 1.54 0.07 0.00 -0.37 0.00 0.00 57.07 58.32 1ece s TYR 5 Cb 0.00 -3.29 -0.00 0.00 -0.40 0.00 0.00 41.96 38.27 1ece s TYR 5 CO 0.00 -1.65 0.51 -1.58 -1.57 0.00 0.00 175.55 171.27 1ece s TRP 6 N -1.84 2.94 0.09 2.71 0.51 -1.26 -3.50 118.94 118.59 1ece s TRP 6 Ca 0.72 -0.32 -0.12 0.00 -2.12 0.00 0.00 56.10 54.27 1ece s TRP 6 Cb -0.24 -2.19 0.01 0.00 -0.81 0.00 0.00 33.47 30.24 1ece s TRP 6 CO 0.29 -0.22 0.27 -3.38 -0.51 0.00 0.00 176.95 173.41 1ece s HIS 7 N -2.27 0.00 0.34 -1.98 -3.43 -0.87 -4.72 115.29 102.36 1ece s HIS 7 Ca 0.50 -0.35 0.01 0.00 -0.80 0.00 0.00 55.06 54.42 1ece s HIS 7 Cb -0.10 0.06 -0.03 0.00 -1.43 0.00 0.00 32.58 31.08 1ece s HIS 7 CO 0.32 -0.58 0.54 0.95 -2.00 0.00 0.00 174.74 173.97 1ece s THR 8 N -3.63 5.05 -0.28 -5.38 -4.23 -0.44 -0.83 115.64 105.89 1ece s THR 8 Ca 0.03 -0.51 0.01 0.00 -1.18 0.00 0.00 61.69 60.04 1ece s THR 8 Cb 0.03 -3.84 0.15 0.00 1.34 0.00 0.00 72.50 70.18 1ece s THR 8 CO -0.10 -0.53 0.38 -0.55 -0.54 0.00 0.00 174.62 173.28 1ece s SER 9 N -4.04 0.67 1.68 3.99 0.15 -0.01 -4.80 113.70 111.34 1ece s SER 9 Ca 0.40 -0.40 0.00 0.00 0.70 0.00 0.00 55.95 56.65 1ece s SER 9 Cb -0.10 0.96 0.00 0.00 -1.71 0.00 0.00 66.02 65.18 1ece s SER 9 CO 0.36 -0.36 0.00 0.61 1.20 0.00 0.00 173.24 175.05 1ece n GLY 10 N 5.34 3.17 1.58 9.45 0.00 -1.26 -1.86 105.19 121.62 1ece n GLY 10 Ca -0.00 -0.16 0.10 0.00 0.00 0.00 0.00 46.02 45.95 1ece n GLY 10 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 1ece n ARG 11 N 13.36 3.63 -4.49 1.61 1.85 -1.26 -3.47 116.66 127.89 1ece n ARG 11 Ca 0.00 -2.85 -0.25 0.00 -1.00 0.00 0.00 57.85 53.75 1ece n ARG 11 Cb 0.00 -1.87 -0.10 0.00 -1.05 0.00 0.00 32.46 29.45 1ece n ARG 11 CO 0.00 0.00 0.00 -1.21 -0.01 0.00 0.00 177.63 176.41 1ece s GLU 12 N -1.75 1.81 0.01 2.89 2.02 -0.78 -4.16 118.70 118.75 1ece s GLU 12 Ca 0.51 -1.84 0.04 0.00 0.02 0.00 0.00 54.97 53.71 1ece s GLU 12 Cb 0.32 -1.77 -0.03 0.00 0.10 0.00 0.00 34.13 32.75 1ece s GLU 12 CO 0.26 0.22 -0.11 0.42 0.02 0.00 0.00 175.26 176.08 1ece s ILE 13 N -2.55 3.35 0.08 -1.63 1.01 -1.26 -0.83 121.20 119.36 1ece s ILE 13 Ca 0.32 -0.90 0.04 0.00 0.00 0.00 0.00 60.65 60.10 1ece s ILE 13 Cb -0.01 -2.44 -0.03 0.00 0.01 0.00 0.00 42.46 39.99 1ece s ILE 13 CO 0.16 0.39 -0.10 -0.76 0.00 0.00 0.00 174.94 174.62 1ece s LEU 14 N -1.39 2.34 0.00 2.97 1.43 -0.01 -2.63 118.68 121.38 1ece s LEU 14 Ca 0.16 -0.70 -0.03 0.00 -1.03 0.00 0.00 54.13 52.53 1ece s LEU 14 Cb -0.11 -0.32 0.05 0.00 0.03 0.00 0.00 46.19 45.84 1ece s LEU 14 CO 0.07 -0.20 0.30 -0.90 0.23 0.00 0.00 176.35 175.84 1ece n ASP 15 N 0.96 0.09 0.27 2.29 5.68 -0.06 -2.05 116.55 123.74 1ece n ASP 15 Ca -0.19 -1.15 0.18 0.00 -0.50 0.00 0.00 54.79 53.13 1ece n ASP 15 Cb 0.56 -0.23 0.84 0.00 -1.14 0.00 0.00 41.12 41.16 1ece n ASP 15 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1ece h ALA 16 N -1.63 1.00 -0.66 2.12 0.00 -1.30 -0.99 119.26 117.81 1ece h ALA 16 Ca -0.10 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.81 1ece h ALA 16 Cb 0.29 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.08 1ece h ALA 16 CO 0.08 0.00 0.00 0.09 0.00 0.00 0.00 179.25 179.42 1ece n ASN 17 N -2.91 4.56 -0.69 0.00 3.02 -1.26 -4.93 115.26 113.04 1ece n ASN 17 Ca -0.01 -2.37 -0.09 0.00 -0.03 0.00 0.00 54.58 52.09 1ece n ASN 17 Cb 0.19 -0.56 -0.04 0.00 -0.61 0.00 0.00 39.78 38.76 1ece n ASN 17 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 1ece n ASN 18 N 1.20 -4.56 -4.76 6.41 3.02 -0.38 -5.01 115.26 111.19 1ece n ASN 18 Ca 0.25 0.22 -0.39 0.00 -0.03 0.00 0.00 54.58 54.64 1ece n ASN 18 Cb 0.84 -2.86 -0.05 0.00 -0.61 0.00 0.00 39.78 37.09 1ece n ASN 18 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 1ece s VAL 19 N -2.18 4.86 0.25 2.41 1.01 -1.26 -4.75 120.40 120.73 1ece s VAL 19 Ca 0.00 1.37 -0.30 0.00 0.00 0.00 0.00 61.98 63.05 1ece s VAL 19 Cb 0.00 -3.99 -0.10 0.00 0.00 0.00 0.00 36.38 32.29 1ece s VAL 19 CO 0.00 0.40 1.39 -2.84 0.00 0.00 0.00 175.10 174.05 1ece s PRO 20 N -0.13 4.31 0.04 2.72 0.02 -1.26 -0.88 135.00 139.82 1ece s PRO 20 Ca 0.33 2.23 0.05 0.00 0.02 0.00 0.00 61.00 63.64 1ece s PRO 20 Cb -0.19 -3.12 -0.02 0.00 0.02 0.00 0.00 34.50 31.19 1ece s PRO 20 CO 0.19 -0.35 -0.15 0.14 -0.33 0.00 0.00 177.00 176.50 1ece s VAL 21 N -0.15 1.23 -0.15 3.83 -7.23 -1.08 -4.88 120.40 111.97 1ece s VAL 21 Ca 0.57 -1.06 0.02 0.00 -1.81 0.00 0.00 61.98 59.70 1ece s VAL 21 Cb -0.40 -1.11 0.01 0.00 0.56 0.00 0.00 36.38 35.44 1ece s VAL 21 CO 0.44 0.04 -0.21 -0.60 -0.31 0.00 0.00 175.10 174.45 1ece s ARG 22 N -1.18 3.04 -0.33 4.82 3.52 -1.26 -4.42 118.95 123.14 1ece s ARG 22 Ca 0.03 -0.84 -0.29 0.00 -0.13 0.00 0.00 55.73 54.50 1ece s ARG 22 Cb -0.08 -2.49 0.01 0.00 -1.56 0.00 0.00 34.95 30.82 1ece s ARG 22 CO 0.01 -0.06 1.29 0.42 -0.81 0.00 0.00 175.30 176.16 1ece s ILE 23 N 0.93 4.13 -0.42 4.11 1.01 -1.26 -4.81 121.20 124.90 1ece s ILE 23 Ca -0.04 1.26 0.03 0.00 0.00 0.00 0.00 60.65 61.90 1ece s ILE 23 Cb -0.15 -4.22 0.16 0.00 0.01 0.00 0.00 42.46 38.26 1ece s ILE 23 CO -0.04 -0.56 0.31 0.00 0.00 0.00 0.00 174.94 174.65 1ece s ALA 24 N 4.50 1.52 0.00 9.38 0.00 -1.25 -1.24 121.76 134.67 1ece s ALA 24 Ca 0.56 -2.43 0.00 0.00 0.00 0.00 0.00 51.96 50.09 1ece s ALA 24 Cb -0.15 -1.66 0.00 0.00 0.00 0.00 0.00 23.12 21.31 1ece s ALA 24 CO 0.25 -2.02 0.00 0.41 0.00 0.00 0.00 175.76 174.40 1ece n GLY 25 N 3.11 5.48 3.25 0.00 0.00 -0.25 -1.84 105.19 114.95 1ece n GLY 25 Ca 0.23 -1.17 -0.10 0.00 0.00 0.00 0.00 46.02 44.99 1ece n GLY 25 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 1ece s ILE 26 N 1.85 0.11 -0.22 -0.61 2.07 0.39 -1.20 121.20 123.58 1ece s ILE 26 Ca 0.00 -0.89 -0.15 0.00 -1.41 0.00 0.00 60.65 58.20 1ece s ILE 26 Cb 0.00 -1.23 -0.04 0.00 0.13 0.00 0.00 42.46 41.32 1ece s ILE 26 CO 0.00 -0.49 0.37 0.20 -1.91 0.00 0.00 174.94 173.11 1ece s ASN 27 N -2.75 6.37 -0.30 4.50 0.01 0.14 -0.99 114.94 121.93 1ece s ASN 27 Ca 0.03 0.43 0.03 0.00 -0.71 0.00 0.00 52.86 52.64 1ece s ASN 27 Cb 0.03 -2.21 0.08 0.00 0.41 0.00 0.00 41.25 39.56 1ece s ASN 27 CO -0.11 -0.08 -0.01 0.86 -1.51 0.00 0.00 177.10 176.25 1ece s TRP 28 N 1.41 3.18 0.23 2.20 -0.00 -1.08 -0.74 118.94 124.13 1ece s TRP 28 Ca 0.17 -2.47 0.02 0.00 -0.00 0.00 0.00 56.10 53.83 1ece s TRP 28 Cb -0.15 -2.28 -0.03 0.00 -0.00 0.00 0.00 33.47 31.01 1ece s TRP 28 CO 0.08 -0.89 0.38 -0.59 -0.00 0.00 0.00 176.95 175.93 1ece s PHE 29 N 1.12 3.47 0.00 5.86 -0.12 -1.26 -4.23 117.98 122.82 1ece s PHE 29 Ca 0.02 0.16 0.00 0.00 -0.05 0.00 0.00 56.93 57.06 1ece s PHE 29 Cb -0.19 -1.71 0.00 0.00 -0.63 0.00 0.00 43.02 40.49 1ece s PHE 29 CO -0.08 0.39 0.00 0.41 -0.05 0.00 0.00 175.22 175.89 1ece n GLY 30 N -1.09 2.46 0.26 1.99 0.00 -1.26 -2.28 105.19 105.27 1ece n GLY 30 Ca -0.07 -0.25 0.17 0.00 0.00 0.00 0.00 46.02 45.87 1ece n GLY 30 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 173.32 174.06 1ece h PHE 31 N 0.00 0.00 0.00 1.61 0.04 -1.64 -1.07 116.94 115.88 1ece h PHE 31 Ca 0.00 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.77 1ece h PHE 31 Cb 0.00 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.15 1ece h PHE 31 CO 0.00 0.00 -0.79 -0.85 -0.60 0.00 0.00 178.31 176.07 1ece n GLU 32 N -2.68 0.05 -2.54 1.51 0.00 -1.23 -3.48 120.64 112.26 1ece n GLU 32 Ca -0.02 -0.00 -0.23 0.00 0.00 0.00 0.00 57.16 56.91 1ece n GLU 32 Cb 0.08 -1.51 0.06 0.00 0.00 0.00 0.00 31.44 30.06 1ece n GLU 32 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.13 178.08 1ece s THR 33 N -3.03 2.47 -1.51 3.84 -4.23 -0.41 -4.14 115.64 108.63 1ece s THR 33 Ca 0.09 -0.57 0.00 0.00 -1.18 0.00 0.00 61.69 60.03 1ece s THR 33 Cb 0.16 -2.90 0.00 0.00 1.34 0.00 0.00 72.50 71.10 1ece s THR 33 CO 0.78 0.00 0.56 0.00 -0.54 0.00 0.00 174.62 175.42 1ece n ASN 35 N -0.19 0.51 -1.99 0.00 4.13 -1.26 -4.89 115.26 111.57 1ece n ASN 35 Ca 0.00 -0.14 -0.20 0.00 1.68 0.00 0.00 54.58 55.92 1ece n ASN 35 Cb 0.09 1.10 -0.04 0.00 -1.54 0.00 0.00 39.78 39.38 1ece n ASN 35 CO 0.00 0.00 0.00 -1.22 0.28 0.00 0.00 177.26 176.32 1ece n TYR 36 N -2.12 -0.56 -3.56 3.10 4.01 -0.88 -1.64 117.16 115.51 1ece n TYR 36 Ca 0.00 0.00 -0.14 0.00 -0.16 0.00 0.00 57.90 57.60 1ece n TYR 36 Cb 0.48 -3.69 -0.06 0.00 -0.31 0.00 0.00 39.34 35.77 1ece n TYR 36 CO 0.00 0.00 0.00 0.54 -0.46 0.00 0.00 176.86 176.94 1ece s VAL 37 N -2.90 0.00 0.41 -0.72 0.11 -1.23 -4.35 120.40 111.71 1ece s VAL 37 Ca 0.00 0.00 -0.24 0.00 -2.93 0.00 0.00 61.98 58.81 1ece s VAL 37 Cb 0.00 -1.00 -0.11 0.00 -1.53 0.00 0.00 36.38 33.74 1ece s VAL 37 CO 0.00 0.00 0.95 1.33 -3.33 0.00 0.00 175.10 174.05 1ece n VAL 38 N 1.11 2.32 -1.70 2.04 0.24 -1.26 -3.72 118.33 117.36 1ece n VAL 38 Ca -0.14 -0.50 -0.30 0.00 -2.04 0.00 0.00 64.34 61.35 1ece n VAL 38 Cb 0.57 -1.06 0.05 0.00 -1.47 0.00 0.00 33.84 31.94 1ece n VAL 38 CO 0.00 0.00 0.00 -1.00 -2.14 0.00 0.00 176.83 173.69 1ece s HIS 39 N -1.27 3.18 0.00 6.34 3.76 -0.96 -4.22 115.29 122.10 1ece s HIS 39 Ca 0.63 1.21 0.00 0.00 -0.15 0.00 0.00 55.06 56.75 1ece s HIS 39 Cb -0.58 -2.98 0.00 0.00 1.11 0.00 0.00 32.58 30.13 1ece s HIS 39 CO 0.57 -1.29 0.00 0.41 -0.85 0.00 0.00 174.74 173.58 1ece n GLY 40 N -2.43 1.83 0.00 -2.22 0.00 -1.26 -4.92 105.19 96.19 1ece n GLY 40 Ca 0.07 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.12 1ece n GLY 40 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1ece n LEU 41 N 0.00 0.00 0.05 0.99 4.77 -1.26 -1.72 117.00 119.83 1ece n LEU 41 Ca 0.00 0.00 0.12 0.00 -0.03 0.00 0.00 56.01 56.10 1ece n LEU 41 Cb 0.00 0.00 0.13 0.00 -2.33 0.00 0.00 43.42 41.22 1ece n LEU 41 CO 0.00 0.00 0.26 -2.67 -1.33 0.00 0.00 177.39 173.65 1ece n TRP 42 N -0.68 0.49 0.00 -1.77 2.14 -1.25 -1.95 117.44 114.42 1ece n TRP 42 Ca 0.05 0.14 0.00 0.00 2.07 0.00 0.00 57.50 59.77 1ece n TRP 42 Cb 0.02 -0.61 0.00 0.00 -0.81 0.00 0.00 31.31 29.91 1ece n TRP 42 CO 0.00 0.00 0.00 0.43 2.07 0.00 0.00 177.69 180.19 1ece n SER 43 N -2.09 1.97 -4.21 -0.67 7.64 -0.70 -4.64 113.62 110.91 1ece n SER 43 Ca 0.03 -0.13 -0.14 0.00 1.01 0.00 0.00 58.87 59.65 1ece n SER 43 Cb 0.44 0.65 -0.10 0.00 -1.01 0.00 0.00 64.21 64.18 1ece n SER 43 CO 0.00 0.00 0.00 -0.13 -3.01 0.00 0.00 175.04 171.90 1ece s ARG 44 N -1.04 0.95 0.22 1.43 1.81 -0.84 -5.10 118.95 116.38 1ece s ARG 44 Ca 0.00 -1.34 -0.24 0.00 -1.72 0.00 0.00 55.73 52.42 1ece s ARG 44 Cb 0.00 -0.52 -0.08 0.00 -0.45 0.00 0.00 34.95 33.90 1ece s ARG 44 CO 0.00 0.06 0.80 0.34 -0.68 0.00 0.00 175.30 175.82 1ece s ASP 45 N -2.94 7.30 0.28 0.23 2.15 -1.26 -4.43 116.67 118.00 1ece s ASP 45 Ca 0.12 1.64 -0.02 0.00 0.43 0.00 0.00 52.55 54.72 1ece s ASP 45 Cb 0.02 -2.50 0.43 0.00 -0.30 0.00 0.00 42.92 40.57 1ece s ASP 45 CO -0.01 0.10 1.91 0.10 -0.17 0.00 0.00 175.17 177.11 1ece h TYR 46 N 3.83 1.14 -0.53 -5.34 -0.00 -1.96 -1.83 116.97 112.29 1ece h TYR 46 Ca -0.47 0.03 -0.05 0.00 -0.00 0.00 0.00 58.73 58.23 1ece h TYR 46 Cb 1.20 -0.38 -0.02 0.00 -0.00 0.00 0.00 36.73 37.53 1ece h TYR 46 CO 0.63 0.63 0.12 0.00 -0.00 0.00 0.00 178.16 179.54 1ece h ARG 47 N 1.15 0.85 -0.71 0.10 3.08 -1.99 -1.43 114.38 115.44 1ece h ARG 47 Ca 0.39 -0.21 0.00 0.00 0.07 0.00 0.00 59.98 60.23 1ece h ARG 47 Cb 0.08 -0.11 -0.04 0.00 0.08 0.00 0.00 29.97 29.99 1ece h ARG 47 CO -0.13 0.82 0.46 1.03 -1.07 0.00 0.00 179.97 181.07 1ece h SER 48 N 0.74 0.82 0.06 7.04 0.87 -1.86 -0.61 113.55 120.61 1ece h SER 48 Ca 0.16 -0.03 -0.00 0.00 -1.23 0.00 0.00 61.79 60.69 1ece h SER 48 Cb 0.35 -0.21 0.00 0.00 -0.44 0.00 0.00 62.40 62.11 1ece h SER 48 CO 0.00 0.60 -0.03 0.24 -0.53 0.00 0.00 176.83 177.12 1ece h MET 49 N 0.97 -0.08 -1.00 2.24 2.86 -0.87 -2.22 114.93 116.82 1ece h MET 49 Ca 0.26 0.01 0.08 0.00 -2.06 0.00 0.00 59.70 57.98 1ece h MET 49 Cb -0.09 0.02 -0.07 0.00 0.06 0.00 0.00 31.60 31.51 1ece h MET 49 CO -0.05 0.26 0.65 -0.07 1.06 0.00 0.00 176.91 178.75 1ece h LEU 50 N -0.42 1.01 -0.58 1.22 3.38 -0.78 -1.81 115.31 117.33 1ece h LEU 50 Ca -0.01 0.02 -0.04 0.00 0.09 0.00 0.00 57.88 57.94 1ece h LEU 50 Cb 0.37 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 40.90 1ece h LEU 50 CO 0.01 0.62 0.20 0.44 0.09 0.00 0.00 178.44 179.81 1ece h ASP 51 N 1.13 0.82 0.31 -0.43 3.32 -1.07 -1.66 116.42 118.84 1ece h ASP 51 Ca 0.45 -0.19 -0.07 0.00 0.02 0.00 0.00 57.03 57.23 1ece h ASP 51 Cb 0.25 -0.21 -0.01 0.00 0.22 0.00 0.00 39.33 39.57 1ece h ASP 51 CO -0.20 0.79 -0.34 -0.61 -1.72 0.00 0.00 179.24 177.17 1ece h GLN 52 N 0.81 0.05 -0.10 3.56 4.15 -0.74 -0.69 115.11 122.14 1ece h GLN 52 Ca 0.19 -0.02 -0.02 0.00 0.77 0.00 0.00 58.65 59.57 1ece h GLN 52 Cb 0.25 -0.00 -0.00 0.00 0.21 0.00 0.00 27.48 27.93 1ece h GLN 52 CO -0.01 0.38 -0.03 0.82 -1.93 0.00 0.00 178.83 178.06 1ece h ILE 53 N 0.04 1.30 -0.25 2.39 2.04 -0.99 -2.71 117.51 119.33 1ece h ILE 53 Ca 0.00 -1.00 0.03 0.00 1.00 0.00 0.00 64.86 64.89 1ece h ILE 53 Cb 0.62 1.76 -0.03 0.00 -0.74 0.00 0.00 36.82 38.43 1ece h ILE 53 CO 0.05 0.28 0.07 0.50 0.00 0.00 0.00 178.15 179.05 1ece h LYS 54 N -0.14 0.17 0.00 2.37 3.64 -1.00 -2.74 116.57 118.88 1ece h LYS 54 Ca 0.02 -0.01 -0.01 0.00 -1.27 0.00 0.00 60.65 59.38 1ece h LYS 54 Cb 0.46 -0.04 -0.00 0.00 -0.41 0.00 0.00 32.23 32.24 1ece h LYS 54 CO 0.01 0.11 -0.06 0.66 -2.27 0.00 0.00 179.45 177.90 1ece h SER 55 N 0.18 0.00 1.26 4.20 4.64 -1.13 -0.93 113.55 121.76 1ece h SER 55 Ca 0.11 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.43 1ece h SER 55 Cb 0.09 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.18 1ece h SER 55 CO -0.13 0.06 -0.02 0.18 -0.87 0.00 0.00 176.83 176.05 1ece n LEU 56 N -3.36 0.47 0.00 5.97 4.77 -1.03 -4.92 117.00 118.90 1ece n LEU 56 Ca -0.01 0.53 0.00 0.00 -0.03 0.00 0.00 56.01 56.50 1ece n LEU 56 Cb 0.22 -0.39 0.00 0.00 -2.33 0.00 0.00 43.42 40.92 1ece n LEU 56 CO 0.27 -0.10 0.00 0.61 -1.33 0.00 0.00 177.39 176.84 1ece n GLY 57 N 1.39 1.11 3.80 -0.72 0.00 -0.35 -5.10 105.19 105.32 1ece n GLY 57 Ca 0.06 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.70 1ece n GLY 57 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1ece s TYR 58 N -2.00 3.70 -0.32 1.61 2.02 -1.10 -4.54 117.35 116.73 1ece s TYR 58 Ca 0.00 1.08 0.10 0.00 -0.37 0.00 0.00 57.07 57.87 1ece s TYR 58 Cb 0.00 -2.44 -0.12 0.00 -0.40 0.00 0.00 41.96 39.00 1ece s TYR 58 CO 0.00 0.49 0.35 0.27 -1.57 0.00 0.00 175.55 175.10 1ece n ASN 59 N 2.29 1.19 -4.01 2.29 0.23 -0.77 -4.33 115.26 112.15 1ece n ASN 59 Ca -0.11 -0.49 -0.14 0.00 -0.53 0.00 0.00 54.58 53.31 1ece n ASN 59 Cb 0.52 1.15 -0.13 0.00 -2.08 0.00 0.00 39.78 39.24 1ece n ASN 59 CO 0.00 0.00 0.00 -0.89 -0.93 0.00 0.00 177.26 175.44 1ece s THR 60 N -2.19 0.46 -0.15 5.53 2.01 -1.26 -1.84 115.64 118.20 1ece s THR 60 Ca 0.01 -0.71 0.01 0.00 0.31 0.00 0.00 61.69 61.32 1ece s THR 60 Cb 0.07 -0.48 0.00 0.00 0.01 0.00 0.00 72.50 72.11 1ece s THR 60 CO 0.41 -0.18 -0.18 -0.63 -0.69 0.00 0.00 174.62 173.35 1ece s ILE 61 N -0.85 2.40 -0.23 1.82 1.01 -0.42 -0.46 121.20 124.46 1ece s ILE 61 Ca -0.05 -0.86 -0.19 0.00 0.00 0.00 0.00 60.65 59.55 1ece s ILE 61 Cb -0.07 -1.99 -0.03 0.00 0.01 0.00 0.00 42.46 40.38 1ece s ILE 61 CO 0.00 0.53 0.55 -0.60 0.00 0.00 0.00 174.94 175.42 1ece s ARG 62 N 0.85 4.13 -0.42 2.79 3.52 -0.16 -1.46 118.95 128.20 1ece s ARG 62 Ca -0.05 0.42 -0.06 0.00 -0.13 0.00 0.00 55.73 55.91 1ece s ARG 62 Cb -0.15 -3.62 0.10 0.00 -1.56 0.00 0.00 34.95 29.72 1ece s ARG 62 CO -0.01 -0.29 0.24 -1.17 -0.81 0.00 0.00 175.30 173.25 1ece s LEU 63 N 2.10 5.23 0.39 -0.88 2.96 -0.11 -2.64 118.68 125.72 1ece s LEU 63 Ca 0.24 -1.81 -0.25 0.00 -0.22 0.00 0.00 54.13 52.08 1ece s LEU 63 Cb -0.16 -1.90 -0.09 0.00 0.50 0.00 0.00 46.19 44.55 1ece s LEU 63 CO 0.09 -0.56 1.13 -2.84 -1.32 0.00 0.00 176.35 172.86 1ece s PRO 64 N 1.27 4.15 0.18 0.98 0.02 -1.26 -1.74 135.00 138.61 1ece s PRO 64 Ca 0.05 1.76 -0.06 0.00 0.02 0.00 0.00 61.00 62.77 1ece s PRO 64 Cb -0.23 -2.70 -0.02 0.00 0.02 0.00 0.00 34.50 31.56 1ece s PRO 64 CO -0.02 -0.22 0.24 1.52 -0.33 0.00 0.00 177.00 178.20 1ece s TYR 65 N -1.44 0.67 0.12 6.54 1.13 -0.13 -3.53 117.35 120.71 1ece s TYR 65 Ca 0.56 -1.00 0.06 0.00 -1.41 0.00 0.00 57.07 55.28 1ece s TYR 65 Cb -0.29 -0.22 -0.04 0.00 -1.10 0.00 0.00 41.96 40.32 1ece s TYR 65 CO 0.36 -0.72 -0.15 -1.54 -2.51 0.00 0.00 175.55 171.00 1ece s SER 66 N -3.04 2.09 0.24 -0.18 1.04 -1.23 -0.78 113.70 111.85 1ece s SER 66 Ca 0.25 -0.80 0.15 0.00 0.48 0.00 0.00 55.95 56.03 1ece s SER 66 Cb 0.04 -0.08 0.84 0.00 0.10 0.00 0.00 66.02 66.92 1ece s SER 66 CO 0.05 -0.12 1.45 0.47 0.98 0.00 0.00 173.24 176.08 1ece n ASP 67 N 0.56 0.40 -0.06 7.02 9.92 -1.20 -2.48 116.55 130.72 1ece n ASP 67 Ca -0.16 0.67 0.11 0.00 -0.53 0.00 0.00 54.79 54.88 1ece n ASP 67 Cb 0.57 -0.71 0.50 0.00 -0.64 0.00 0.00 41.12 40.84 1ece n ASP 67 CO 0.00 0.00 0.00 0.44 0.13 0.00 0.00 177.20 177.77 1ece h ASP 68 N 0.00 0.36 0.81 -2.24 3.32 -1.89 -1.70 116.42 115.07 1ece h ASP 68 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1ece h ASP 68 Cb 0.07 -0.07 0.00 0.00 0.22 0.00 0.00 39.33 39.55 1ece h ASP 68 CO 0.00 0.22 0.00 2.30 -1.72 0.00 0.00 179.24 180.04 1ece n ILE 69 N -4.47 0.78 1.47 0.35 -5.35 -1.03 -1.74 119.36 109.36 1ece n ILE 69 Ca 0.08 0.14 0.14 0.00 -0.27 0.00 0.00 62.75 62.85 1ece n ILE 69 Cb 0.32 -1.00 0.50 0.00 -1.74 0.00 0.00 39.64 37.72 1ece n ILE 69 CO 0.00 0.00 0.00 0.18 -1.76 0.00 0.00 176.55 174.97 1ece n LEU 70 N -2.04 1.53 -4.71 7.28 4.32 -0.64 -4.55 117.00 118.18 1ece n LEU 70 Ca 0.03 -0.50 -0.42 0.00 -0.02 0.00 0.00 56.01 55.10 1ece n LEU 70 Cb 0.25 -0.01 -0.03 0.00 -1.62 0.00 0.00 43.42 42.01 1ece n LEU 70 CO 0.20 0.26 0.78 -0.54 -1.22 0.00 0.00 177.39 176.87 1ece s LYS 71 N -2.03 4.51 -0.30 3.23 1.02 -0.71 -4.94 119.74 120.52 1ece s LYS 71 Ca 0.37 1.61 -0.42 0.00 0.02 0.00 0.00 55.97 57.54 1ece s LYS 71 Cb 0.21 -3.39 -0.18 0.00 -0.52 0.00 0.00 37.83 33.95 1ece s LYS 71 CO 0.34 -0.13 1.60 -2.30 -0.92 0.00 0.00 175.35 173.95 1ece n PRO 72 N 3.77 0.65 -2.83 -1.68 -0.02 -1.26 -2.11 135.00 131.52 1ece n PRO 72 Ca 0.07 0.24 -0.17 0.00 -2.02 0.00 0.00 63.50 61.62 1ece n PRO 72 Cb 0.48 -1.84 0.03 0.00 -0.02 0.00 0.00 33.50 32.15 1ece n PRO 72 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1ece n GLY 73 N 3.76 -0.21 3.73 -1.23 0.00 -1.26 -4.99 105.19 104.99 1ece n GLY 73 Ca 0.27 -0.10 -0.41 0.00 0.00 0.00 0.00 46.02 45.77 1ece n GLY 73 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1ece s THR 74 N -3.02 4.62 0.08 2.61 2.01 -0.90 -4.98 115.64 116.06 1ece s THR 74 Ca 0.23 1.97 0.08 0.00 0.31 0.00 0.00 61.69 64.28 1ece s THR 74 Cb -0.10 -4.28 -0.03 0.00 0.01 0.00 0.00 72.50 68.10 1ece s THR 74 CO 0.28 0.30 -0.20 -0.32 -0.69 0.00 0.00 174.62 173.99 1ece s MET 75 N 0.17 1.15 0.74 4.92 1.75 -1.26 -0.74 119.30 126.03 1ece s MET 75 Ca 0.46 -1.08 -0.15 0.00 -1.25 0.00 0.00 55.69 53.67 1ece s MET 75 Cb -0.22 -1.35 0.04 0.00 2.84 0.00 0.00 34.83 36.14 1ece s MET 75 CO 0.28 0.32 1.20 -2.14 -0.65 0.00 0.00 175.02 174.03 1ece s PRO 76 N -1.71 2.11 -0.00 4.11 0.02 -1.26 -4.75 135.00 133.51 1ece s PRO 76 Ca 0.06 1.72 0.00 0.00 0.02 0.00 0.00 61.00 62.80 1ece s PRO 76 Cb -0.10 -1.83 0.01 0.00 0.02 0.00 0.00 34.50 32.60 1ece s PRO 76 CO 0.03 -1.85 0.65 0.27 -0.33 0.00 0.00 177.00 175.78 1ece n ASN 77 N -2.81 0.45 -2.59 2.53 0.23 -0.65 -4.88 115.26 107.54 1ece n ASN 77 Ca 0.13 -1.33 -0.14 0.00 -0.53 0.00 0.00 54.58 52.72 1ece n ASN 77 Cb 0.50 -0.03 0.02 0.00 -2.08 0.00 0.00 39.78 38.20 1ece n ASN 77 CO 0.00 0.00 0.00 -1.54 -0.93 0.00 0.00 177.26 174.79 1ece n SER 78 N -0.13 2.62 -4.34 0.53 3.41 -1.26 -5.06 113.62 109.38 1ece n SER 78 Ca 0.00 -2.97 -0.31 0.00 -0.26 0.00 0.00 58.87 55.33 1ece n SER 78 Cb 0.47 -0.49 -0.15 0.00 -0.26 0.00 0.00 64.21 63.78 1ece n SER 78 CO 0.00 0.00 0.00 -0.63 -0.16 0.00 0.00 175.04 174.25 1ece s ILE 79 N -3.99 2.23 -0.25 -1.33 1.01 -1.26 -3.87 121.20 113.73 1ece s ILE 79 Ca 0.35 -1.07 -0.05 0.00 0.00 0.00 0.00 60.65 59.88 1ece s ILE 79 Cb 0.42 -1.79 0.00 0.00 0.01 0.00 0.00 42.46 41.10 1ece s ILE 79 CO -0.03 0.56 0.01 0.21 0.00 0.00 0.00 174.94 175.69 1ece s ASN 80 N -0.69 4.67 -0.16 3.58 3.84 -0.82 -4.91 114.94 120.44 1ece s ASN 80 Ca 0.10 -0.55 0.11 0.00 0.21 0.00 0.00 52.86 52.73 1ece s ASN 80 Cb -0.10 -1.79 0.62 0.00 -0.55 0.00 0.00 41.25 39.43 1ece s ASN 80 CO -0.00 -0.10 1.46 0.49 -2.79 0.00 0.00 177.10 176.16 1ece n PHE 81 N 4.81 1.52 -2.98 0.43 3.72 -1.26 -4.50 117.46 119.21 1ece n PHE 81 Ca -0.16 -0.54 -0.44 0.00 -0.05 0.00 0.00 57.45 56.26 1ece n PHE 81 Cb 0.49 -0.38 -0.04 0.00 -0.94 0.00 0.00 39.48 38.62 1ece n PHE 81 CO 0.00 0.00 0.00 -0.47 -0.05 0.00 0.00 176.76 176.24 1ece s TYR 82 N -2.24 2.90 -1.29 1.38 6.14 -1.26 -4.13 117.35 118.85 1ece s TYR 82 Ca 0.42 -0.89 0.00 0.00 0.64 0.00 0.00 57.07 57.24 1ece s TYR 82 Cb 0.31 -4.17 0.00 0.00 0.42 0.00 0.00 41.96 38.51 1ece s TYR 82 CO 0.14 -1.47 0.00 1.04 0.64 0.00 0.00 175.55 175.89 1ece n GLN 83 N 6.89 -0.84 -3.58 4.97 6.02 -1.26 -4.96 117.38 124.62 1ece n GLN 83 Ca -0.01 0.93 -0.10 0.00 -0.01 0.00 0.00 57.00 57.81 1ece n GLN 83 Cb 0.45 -4.94 -0.05 0.00 1.02 0.00 0.00 30.24 26.72 1ece n GLN 83 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1ece s MET 84 N -3.03 0.57 -1.88 -1.09 0.23 -1.26 -4.97 119.30 107.87 1ece s MET 84 Ca 0.00 0.09 0.00 0.00 -1.03 0.00 0.00 55.69 54.75 1ece s MET 84 Cb 0.00 0.27 0.00 0.00 -1.53 0.00 0.00 34.83 33.57 1ece s MET 84 CO 0.00 -0.19 0.00 0.09 -2.03 0.00 0.00 175.02 172.89 1ece n ASN 85 N 0.60 -5.33 -0.34 -1.18 3.02 -1.26 -4.02 115.26 106.75 1ece n ASN 85 Ca -0.09 0.44 0.08 0.00 -0.03 0.00 0.00 54.58 54.98 1ece n ASN 85 Cb 0.58 -4.39 0.27 0.00 -0.61 0.00 0.00 39.78 35.63 1ece n ASN 85 CO 0.00 0.00 0.00 1.56 -2.62 0.00 0.00 177.26 176.20 1ece h GLN 86 N 0.01 0.90 0.00 3.52 7.50 -1.89 0.73 115.11 125.87 1ece h GLN 86 Ca -0.36 -0.05 0.00 0.00 0.50 0.00 0.00 58.65 58.73 1ece h GLN 86 Cb 1.22 -0.20 0.00 0.00 0.05 0.00 0.00 27.48 28.55 1ece h GLN 86 CO 0.53 0.60 0.00 -0.40 -1.50 0.00 0.00 178.83 178.06 1ece n ASP 87 N -4.61 0.00 0.11 1.46 5.75 -1.26 -2.97 116.55 115.03 1ece n ASP 87 Ca 0.19 0.08 0.04 0.00 -0.01 0.00 0.00 54.79 55.09 1ece n ASP 87 Cb 0.38 -0.33 0.00 0.00 -1.03 0.00 0.00 41.12 40.14 1ece n ASP 87 CO 0.00 0.00 0.00 -0.07 -0.11 0.00 0.00 177.20 177.02 1ece h LEU 88 N 0.00 0.00 -9.34 -2.12 3.38 -1.23 -3.47 115.31 102.53 1ece h LEU 88 Ca 0.00 0.00 -0.62 0.00 0.09 0.00 0.00 57.88 57.35 1ece h LEU 88 Cb 0.23 0.00 0.03 0.00 0.09 0.00 0.00 40.66 41.02 1ece h LEU 88 CO 0.00 0.37 0.92 1.67 0.09 0.00 0.00 178.44 181.49 1ece n GLN 89 N -2.99 1.96 0.00 1.13 7.27 -1.16 -2.08 117.38 121.51 1ece n GLN 89 Ca -0.02 0.72 0.00 0.00 0.07 0.00 0.00 57.00 57.76 1ece n GLN 89 Cb 0.71 -2.50 0.00 0.00 2.41 0.00 0.00 30.24 30.86 1ece n GLN 89 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 1ece n GLY 90 N 3.87 1.38 3.87 1.69 0.00 -1.26 -5.05 105.19 109.69 1ece n GLY 90 Ca 0.21 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.92 1ece n GLY 90 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1ece s LEU 91 N 0.00 3.93 0.90 0.99 1.43 -0.89 -5.09 118.68 119.95 1ece s LEU 91 Ca 0.00 1.08 -0.14 0.00 -1.03 0.00 0.00 54.13 54.04 1ece s LEU 91 Cb 0.00 -3.93 0.16 0.00 0.03 0.00 0.00 46.19 42.44 1ece s LEU 91 CO 0.00 -0.31 1.26 0.42 0.23 0.00 0.00 176.35 177.95 1ece s THR 92 N -2.22 2.01 0.20 5.49 -4.23 -1.26 -4.52 115.64 111.11 1ece s THR 92 Ca 0.50 -0.03 -0.11 0.00 -1.18 0.00 0.00 61.69 60.87 1ece s THR 92 Cb -0.10 -2.98 0.11 0.00 1.34 0.00 0.00 72.50 70.87 1ece s THR 92 CO 0.28 0.00 1.82 0.28 -0.54 0.00 0.00 174.62 176.46 1ece h SER 93 N -1.39 0.58 -0.71 3.99 0.02 -1.20 -1.94 113.55 112.90 1ece h SER 93 Ca -0.45 0.01 -0.01 0.00 -0.84 0.00 0.00 61.79 60.51 1ece h SER 93 Cb 1.27 -0.11 -0.03 0.00 0.14 0.00 0.00 62.40 63.66 1ece h SER 93 CO 0.47 0.40 0.42 -0.07 -1.14 0.00 0.00 176.83 176.91 1ece h LEU 94 N 0.71 0.86 -1.11 5.07 3.38 -1.82 0.27 115.31 122.67 1ece h LEU 94 Ca 0.26 -0.07 -0.06 0.00 0.09 0.00 0.00 57.88 58.10 1ece h LEU 94 Cb 0.07 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 40.58 1ece h LEU 94 CO -0.12 0.68 0.02 1.56 0.09 0.00 0.00 178.44 180.67 1ece h GLN 95 N 0.97 0.64 -0.25 1.13 4.20 -1.86 0.29 115.11 120.23 1ece h GLN 95 Ca 0.25 -0.15 -0.09 0.00 0.06 0.00 0.00 58.65 58.73 1ece h GLN 95 Cb -0.01 -0.09 -0.01 0.00 0.30 0.00 0.00 27.48 27.67 1ece h GLN 95 CO -0.05 0.65 -0.24 0.28 -0.67 0.00 0.00 178.83 178.81 1ece h VAL 96 N 0.61 1.26 -0.48 -0.54 2.07 -0.61 -1.92 116.25 116.63 1ece h VAL 96 Ca 0.13 -1.23 -0.10 0.00 0.82 0.00 0.00 66.70 66.32 1ece h VAL 96 Cb 0.36 1.33 -0.02 0.00 -1.52 0.00 0.00 31.29 31.45 1ece h VAL 96 CO 0.01 0.39 -0.11 -0.03 0.02 0.00 0.00 177.57 177.85 1ece h MET 97 N 0.41 0.92 -0.94 1.57 1.85 0.49 -2.22 114.93 117.02 1ece h MET 97 Ca 0.06 -0.35 0.08 0.00 -0.61 0.00 0.00 59.70 58.89 1ece h MET 97 Cb 0.64 -0.05 -0.07 0.00 0.43 0.00 0.00 31.60 32.55 1ece h MET 97 CO 0.05 1.01 0.60 -0.44 -0.40 0.00 0.00 176.91 177.73 1ece h ASP 98 N 0.78 0.90 0.05 1.39 3.32 0.06 -0.39 116.42 122.53 1ece h ASP 98 Ca 0.12 0.02 -0.00 0.00 0.02 0.00 0.00 57.03 57.19 1ece h ASP 98 Cb 0.66 -0.17 0.00 0.00 0.22 0.00 0.00 39.33 40.04 1ece h ASP 98 CO 0.05 0.55 -0.03 0.11 -1.72 0.00 0.00 179.24 178.20 1ece h LYS 99 N 1.00 -0.07 -0.91 3.56 1.79 -0.98 -2.07 116.57 118.89 1ece h LYS 99 Ca 0.42 0.00 0.02 0.00 -2.18 0.00 0.00 60.65 58.92 1ece h LYS 99 Cb 0.31 0.02 -0.05 0.00 -1.58 0.00 0.00 32.23 30.93 1ece h LYS 99 CO -0.18 0.21 0.60 0.82 -1.08 0.00 0.00 179.45 179.81 1ece h ILE 100 N -0.34 1.20 -0.06 1.86 2.04 -0.94 -2.13 117.51 119.13 1ece h ILE 100 Ca -0.01 -0.41 -0.00 0.00 1.00 0.00 0.00 64.86 65.44 1ece h ILE 100 Cb 0.31 -0.10 -0.00 0.00 -0.74 0.00 0.00 36.82 36.28 1ece h ILE 100 CO 0.01 0.22 0.02 0.58 0.00 0.00 0.00 178.15 178.98 1ece h VAL 101 N 1.20 1.16 0.27 1.67 2.07 -1.04 -1.14 116.25 120.44 1ece h VAL 101 Ca 0.34 -0.49 -0.00 0.00 0.82 0.00 0.00 66.70 67.37 1ece h VAL 101 Cb -0.09 1.39 -0.01 0.00 -1.52 0.00 0.00 31.29 31.06 1ece h VAL 101 CO -0.09 0.14 -0.23 0.00 0.02 0.00 0.00 177.57 177.41 1ece h ALA 102 N 0.83 -0.50 -0.83 1.67 0.00 -1.24 -0.71 119.26 118.47 1ece h ALA 102 Ca 0.02 -0.08 -0.02 0.00 0.00 0.00 0.00 54.91 54.83 1ece h ALA 102 Cb 0.20 0.32 -0.04 0.00 0.00 0.00 0.00 17.79 18.27 1ece h ALA 102 CO -0.00 -0.81 0.45 -0.92 0.00 0.00 0.00 179.25 177.97 1ece h TYR 103 N -0.52 1.14 -0.76 0.00 3.20 -1.39 -1.29 116.97 117.34 1ece h TYR 103 Ca -0.01 -0.03 -0.04 0.00 3.14 0.00 0.00 58.73 61.79 1ece h TYR 103 Cb 0.47 -0.36 -0.03 0.00 1.54 0.00 0.00 36.73 38.34 1ece h TYR 103 CO -0.14 0.80 0.33 0.00 -1.64 0.00 0.00 178.16 177.51 1ece h ALA 104 N 1.33 1.15 -0.52 1.82 0.00 -0.93 -1.90 119.26 120.21 1ece h ALA 104 Ca 0.29 -0.17 -0.01 0.00 0.00 0.00 0.00 54.91 55.02 1ece h ALA 104 Cb 0.04 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 17.50 1ece h ALA 104 CO -0.05 0.63 0.28 0.78 0.00 0.00 0.00 179.25 180.89 1ece h GLY 105 N 1.13 0.79 0.76 0.00 0.00 -0.23 0.90 103.07 106.42 1ece h GLY 105 Ca 0.26 -0.36 0.03 0.00 0.00 0.00 0.00 47.33 47.26 1ece h GLY 105 CO -0.03 0.35 0.12 1.46 0.00 0.00 0.00 176.54 178.44 1ece h GLN 106 N 0.70 0.26 -0.05 4.80 4.20 -0.60 0.11 115.11 124.53 1ece h GLN 106 Ca 0.18 -0.02 0.00 0.00 0.06 0.00 0.00 58.65 58.88 1ece h GLN 106 Cb 0.06 -0.06 0.00 0.00 0.30 0.00 0.00 27.48 27.78 1ece h GLN 106 CO -0.03 0.17 0.00 0.44 -0.67 0.00 0.00 178.83 178.74 1ece n ILE 107 N -5.01 0.06 -0.78 2.54 -5.35 -0.78 -4.51 119.36 105.55 1ece n ILE 107 Ca 0.00 -0.07 0.00 0.00 -0.27 0.00 0.00 62.75 62.41 1ece n ILE 107 Cb 0.11 0.00 0.00 0.00 -1.74 0.00 0.00 39.64 38.01 1ece n ILE 107 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1ece n GLY 108 N 0.62 0.52 3.96 3.28 0.00 -0.78 -4.84 105.19 107.95 1ece n GLY 108 Ca 0.03 -0.84 -0.22 0.00 0.00 0.00 0.00 46.02 44.99 1ece n GLY 108 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1ece s LEU 109 N 0.00 4.24 0.25 0.99 1.43 0.29 -2.04 118.68 123.84 1ece s LEU 109 Ca 0.00 0.18 0.11 0.00 -1.03 0.00 0.00 54.13 53.40 1ece s LEU 109 Cb 0.00 -2.99 -0.05 0.00 0.03 0.00 0.00 46.19 43.18 1ece s LEU 109 CO 0.00 -0.12 -0.18 -0.13 0.23 0.00 0.00 176.35 176.14 1ece s ARG 110 N -4.01 1.72 -0.03 1.70 1.81 -0.77 -4.09 118.95 115.29 1ece s ARG 110 Ca 0.36 -1.63 0.03 0.00 -1.72 0.00 0.00 55.73 52.77 1ece s ARG 110 Cb -0.09 -1.86 -0.00 0.00 -0.45 0.00 0.00 34.95 32.55 1ece s ARG 110 CO 0.31 0.36 -0.12 0.42 -0.68 0.00 0.00 175.30 175.59 1ece s ILE 111 N -2.20 1.01 -0.20 1.52 1.01 0.20 -1.30 121.20 121.23 1ece s ILE 111 Ca 0.27 -0.50 -0.01 0.00 0.00 0.00 0.00 60.65 60.42 1ece s ILE 111 Cb -0.06 -0.88 0.02 0.00 0.01 0.00 0.00 42.46 41.54 1ece s ILE 111 CO 0.14 0.30 -0.14 -0.63 0.00 0.00 0.00 174.94 174.62 1ece s ILE 112 N 0.06 2.51 -0.03 2.92 1.01 -0.54 -1.75 121.20 125.38 1ece s ILE 112 Ca -0.02 -0.87 -0.28 0.00 0.00 0.00 0.00 60.65 59.49 1ece s ILE 112 Cb -0.09 -2.13 -0.03 0.00 0.01 0.00 0.00 42.46 40.22 1ece s ILE 112 CO 0.01 0.44 0.90 -0.76 0.00 0.00 0.00 174.94 175.53 1ece s LEU 113 N 1.34 4.34 -0.24 2.97 1.43 -1.08 -0.94 118.68 126.50 1ece s LEU 113 Ca 0.04 1.50 0.02 0.00 -1.03 0.00 0.00 54.13 54.67 1ece s LEU 113 Cb -0.14 -3.42 0.05 0.00 0.03 0.00 0.00 46.19 42.71 1ece s LEU 113 CO -0.09 -0.24 -0.12 -0.62 0.23 0.00 0.00 176.35 175.51 1ece s ASP 114 N 0.96 4.03 -0.93 2.29 2.15 -0.71 -0.14 116.67 124.33 1ece s ASP 114 Ca 0.47 -1.18 -0.24 0.00 0.43 0.00 0.00 52.55 52.03 1ece s ASP 114 Cb -0.20 -1.47 -0.02 0.00 -0.30 0.00 0.00 42.92 40.94 1ece s ASP 114 CO 0.24 -0.15 1.79 -0.60 -0.17 0.00 0.00 175.17 176.28 1ece s ARG 115 N 1.19 2.87 0.07 4.34 3.00 -0.73 -0.96 118.95 128.72 1ece s ARG 115 Ca -0.05 -0.50 -0.08 0.00 -1.00 0.00 0.00 55.73 54.09 1ece s ARG 115 Cb -0.18 -5.12 -0.29 0.00 0.00 0.00 0.00 34.95 29.36 1ece s ARG 115 CO -0.07 -3.00 1.11 1.25 0.00 0.00 0.00 175.30 174.59 1ece h HIS 116 N 10.95 0.68 -3.25 5.12 -0.00 -1.27 -1.49 115.15 125.89 1ece h HIS 116 Ca 0.11 -0.48 -0.16 0.00 -0.00 0.00 0.00 60.37 59.84 1ece h HIS 116 Cb 1.01 -0.03 -0.24 0.00 -0.00 0.00 0.00 27.41 28.15 1ece h HIS 116 CO 1.23 1.37 -0.44 1.03 -0.00 0.00 0.00 177.93 181.12 1ece s ARG 117 N -2.71 0.38 0.32 5.26 0.52 -1.19 -4.44 118.95 117.09 1ece s ARG 117 Ca -0.06 0.05 0.02 0.00 -0.52 0.00 0.00 55.73 55.23 1ece s ARG 117 Cb 0.06 0.17 0.53 0.00 0.52 0.00 0.00 34.95 36.23 1ece s ARG 117 CO 0.90 -0.07 1.86 -1.35 0.02 0.00 0.00 175.30 176.66 1ece h PRO 118 N 5.12 0.64 -4.09 3.54 0.11 -1.92 -3.23 132.00 132.17 1ece h PRO 118 Ca -0.28 -0.13 -0.14 0.00 0.11 0.00 0.00 66.00 65.56 1ece h PRO 118 Cb 1.19 -0.09 -0.13 0.00 0.11 0.00 0.00 31.00 32.08 1ece h PRO 118 CO 0.38 0.62 -0.41 0.16 -0.21 0.00 0.00 178.00 178.55 1ece s ASP 119 N -6.68 0.09 0.00 -2.05 1.47 -1.26 -3.25 116.67 104.98 1ece s ASP 119 Ca -0.08 -1.06 0.07 0.00 1.18 0.00 0.00 52.55 52.65 1ece s ASP 119 Cb 0.15 0.43 0.31 0.00 -0.34 0.00 0.00 42.92 43.47 1ece s ASP 119 CO 0.78 -0.90 1.14 0.00 0.68 0.00 0.00 175.17 176.87 1ece h SER 121 N 0.00 0.00 0.00 0.00 0.02 -1.95 -3.35 113.55 108.27 1ece h SER 121 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1ece h SER 121 Cb 0.09 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.63 1ece h SER 121 CO 0.00 0.41 0.00 0.61 -1.14 0.00 0.00 176.83 176.71 1ece n GLY 122 N 0.60 1.80 3.79 -3.77 0.00 -1.09 -5.11 105.19 101.41 1ece n GLY 122 Ca 0.01 -1.00 -0.30 0.00 0.00 0.00 0.00 46.02 44.72 1ece n GLY 122 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1ece s GLN 123 N -2.00 2.21 0.04 1.61 -0.21 -1.26 -3.96 119.66 116.08 1ece s GLN 123 Ca 0.00 0.79 0.02 0.00 0.02 0.00 0.00 55.36 56.19 1ece s GLN 123 Cb 0.00 -1.92 -0.02 0.00 1.00 0.00 0.00 33.01 32.07 1ece s GLN 123 CO 0.00 -1.57 -0.07 -1.54 -2.12 0.00 0.00 175.29 169.98 1ece s SER 124 N -3.77 0.80 0.36 5.90 1.04 -1.26 -4.94 113.70 111.82 1ece s SER 124 Ca 0.60 -0.51 0.14 0.00 0.48 0.00 0.00 55.95 56.66 1ece s SER 124 Cb -0.15 0.03 0.67 0.00 0.10 0.00 0.00 66.02 66.67 1ece s SER 124 CO 0.55 -0.19 1.78 0.00 0.98 0.00 0.00 173.24 176.36 1ece h ALA 125 N 4.64 1.25 -1.69 5.32 0.00 -1.87 -3.44 119.26 123.47 1ece h ALA 125 Ca -0.35 -0.38 -0.57 0.00 0.00 0.00 0.00 54.91 53.62 1ece h ALA 125 Cb 1.20 -0.07 -0.09 0.00 0.00 0.00 0.00 17.79 18.84 1ece h ALA 125 CO 0.41 0.52 -0.52 -0.51 0.00 0.00 0.00 179.25 179.15 1ece s LEU 126 N -7.89 3.11 0.00 0.00 1.43 -1.26 -1.80 118.68 112.27 1ece s LEU 126 Ca -0.02 -1.03 0.12 0.00 -1.03 0.00 0.00 54.13 52.18 1ece s LEU 126 Cb 0.14 -1.46 0.74 0.00 0.03 0.00 0.00 46.19 45.64 1ece s LEU 126 CO 0.72 -0.46 1.46 -2.67 0.23 0.00 0.00 176.35 175.64 1ece n TRP 127 N -1.17 0.00 -3.73 0.29 2.14 -1.26 -4.81 117.44 108.89 1ece n TRP 127 Ca -0.02 0.00 -0.11 0.00 2.07 0.00 0.00 57.50 59.44 1ece n TRP 127 Cb 0.64 0.00 -0.07 0.00 -0.81 0.00 0.00 31.31 31.07 1ece n TRP 127 CO 0.00 0.00 0.00 1.52 2.07 0.00 0.00 177.69 181.28 1ece s TYR 128 N -2.00 -0.10 0.32 -2.67 -0.85 -1.26 -4.67 117.35 106.12 1ece s TYR 128 Ca 0.19 -0.12 0.03 0.00 -0.52 0.00 0.00 57.07 56.65 1ece s TYR 128 Cb 0.09 0.12 -0.04 0.00 0.38 0.00 0.00 41.96 42.51 1ece s TYR 128 CO 0.14 -0.57 0.16 0.95 -1.52 0.00 0.00 175.55 174.72 1ece s THR 129 N -3.08 0.38 0.54 -3.49 -4.23 0.24 -4.97 115.64 101.03 1ece s THR 129 Ca -0.01 -2.00 0.21 0.00 -1.18 0.00 0.00 61.69 58.71 1ece s THR 129 Cb 0.01 -2.50 0.30 0.00 1.34 0.00 0.00 72.50 71.64 1ece s THR 129 CO -0.07 0.00 2.18 0.77 -0.54 0.00 0.00 174.62 176.96 1ece h SER 130 N 2.15 0.00 0.25 3.99 4.64 -2.02 -2.94 113.55 119.62 1ece h SER 130 Ca -0.34 0.00 -0.34 0.00 -0.47 0.00 0.00 61.79 60.65 1ece h SER 130 Cb 1.25 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 63.30 1ece h SER 130 CO 0.52 0.01 -1.98 -1.54 -0.87 0.00 0.00 176.83 172.98 1ece n SER 131 N -4.25 1.28 -4.13 4.97 3.41 -1.26 -4.79 113.62 108.85 1ece n SER 131 Ca -0.03 0.23 -0.34 0.00 -0.26 0.00 0.00 58.87 58.47 1ece n SER 131 Cb 0.10 -0.21 -0.13 0.00 -0.26 0.00 0.00 64.21 63.70 1ece n SER 131 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 1ece s VAL 132 N -2.56 2.90 0.71 -3.33 1.01 -1.11 -5.09 120.40 112.93 1ece s VAL 132 Ca -0.14 -1.66 -0.11 0.00 0.00 0.00 0.00 61.98 60.06 1ece s VAL 132 Cb 0.07 -2.79 0.02 0.00 0.00 0.00 0.00 36.38 33.68 1ece s VAL 132 CO 0.78 -0.28 1.07 -0.94 0.00 0.00 0.00 175.10 175.73 1ece s SER 133 N 1.33 5.33 0.45 3.32 1.04 -1.26 -0.59 113.70 123.32 1ece s SER 133 Ca -0.01 1.37 0.13 0.00 0.48 0.00 0.00 55.95 57.92 1ece s SER 133 Cb -0.20 -2.22 1.05 0.00 0.10 0.00 0.00 66.02 64.74 1ece s SER 133 CO -0.03 -1.44 2.05 -0.08 0.98 0.00 0.00 173.24 174.72 1ece h GLU 134 N -0.72 0.33 -0.17 4.02 4.81 -1.89 -0.73 114.58 120.23 1ece h GLU 134 Ca -0.45 -0.02 -0.13 0.00 -0.13 0.00 0.00 59.36 58.63 1ece h GLU 134 Cb 1.23 -0.07 -0.01 0.00 0.63 0.00 0.00 28.75 30.53 1ece h GLU 134 CO 0.60 0.22 -0.46 0.00 -0.73 0.00 0.00 179.01 178.64 1ece h ALA 135 N 1.79 0.89 -0.23 2.92 0.00 -1.96 -0.98 119.26 121.68 1ece h ALA 135 Ca 0.16 -0.46 -0.13 0.00 0.00 0.00 0.00 54.91 54.48 1ece h ALA 135 Cb 0.23 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 17.92 1ece h ALA 135 CO -0.04 0.65 -0.36 1.15 0.00 0.00 0.00 179.25 180.66 1ece h THR 136 N 0.35 1.32 0.46 0.00 2.02 -1.55 -0.12 112.91 115.39 1ece h THR 136 Ca 0.02 -1.56 -0.01 0.00 0.77 0.00 0.00 66.41 65.63 1ece h THR 136 Cb 0.94 1.75 -0.02 0.00 -1.74 0.00 0.00 68.15 69.08 1ece h THR 136 CO 0.08 0.49 -0.42 -0.25 0.37 0.00 0.00 175.52 175.79 1ece h TRP 137 N 0.37 -1.15 -0.64 3.16 7.01 -1.06 0.75 115.95 124.39 1ece h TRP 137 Ca 0.02 0.01 0.03 0.00 2.11 0.00 0.00 58.89 61.06 1ece h TRP 137 Cb 0.95 0.44 -0.04 0.00 -2.10 0.00 0.00 29.16 28.41 1ece h TRP 137 CO 0.08 -0.59 0.39 0.82 -2.79 0.00 0.00 178.44 176.36 1ece h ILE 138 N -0.89 1.08 -0.90 2.65 2.04 -1.21 -1.87 117.51 118.41 1ece h ILE 138 Ca -0.05 -0.27 -0.01 0.00 1.00 0.00 0.00 64.86 65.54 1ece h ILE 138 Cb 0.77 0.24 -0.04 0.00 -0.74 0.00 0.00 36.82 37.05 1ece h ILE 138 CO -0.04 0.14 0.54 -1.28 0.00 0.00 0.00 178.15 177.51 1ece h SER 139 N 0.77 1.09 0.49 1.72 0.87 -0.72 -2.30 113.55 115.47 1ece h SER 139 Ca 0.26 -0.07 -0.09 0.00 -1.23 0.00 0.00 61.79 60.66 1ece h SER 139 Cb 0.02 -0.28 -0.01 0.00 -0.44 0.00 0.00 62.40 61.69 1ece h SER 139 CO -0.11 0.84 -0.43 0.44 -0.53 0.00 0.00 176.83 177.05 1ece h ASP 140 N 1.25 0.00 -0.33 6.23 3.32 -0.12 -2.13 116.42 124.63 1ece h ASP 140 Ca 0.32 0.00 -0.11 0.00 0.02 0.00 0.00 57.03 57.27 1ece h ASP 140 Cb -0.04 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.50 1ece h ASP 140 CO -0.06 0.43 -0.21 -0.07 -1.72 0.00 0.00 179.24 177.61 1ece h LEU 141 N 0.00 0.77 -0.65 1.55 3.38 -0.86 -2.25 115.31 117.24 1ece h LEU 141 Ca -0.00 -0.43 -0.07 0.00 0.09 0.00 0.00 57.88 57.46 1ece h LEU 141 Cb 0.79 -0.21 -0.03 0.00 0.09 0.00 0.00 40.66 41.30 1ece h LEU 141 CO 0.06 1.03 0.12 1.56 0.09 0.00 0.00 178.44 181.30 1ece h GLN 142 N 0.50 1.07 -0.62 1.13 4.20 -1.23 -0.83 115.11 119.33 1ece h GLN 142 Ca 0.07 -0.28 -0.00 0.00 0.06 0.00 0.00 58.65 58.49 1ece h GLN 142 Cb 0.77 -0.13 -0.03 0.00 0.30 0.00 0.00 27.48 28.39 1ece h GLN 142 CO 0.06 0.98 0.38 0.00 -0.67 0.00 0.00 178.83 179.58 1ece h ALA 143 N 1.05 0.80 -0.23 3.87 0.00 -1.30 0.75 119.26 124.20 1ece h ALA 143 Ca 0.20 -0.07 -0.16 0.00 0.00 0.00 0.00 54.91 54.87 1ece h ALA 143 Cb 0.42 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.95 1ece h ALA 143 CO 0.01 0.27 -0.52 -0.07 0.00 0.00 0.00 179.25 178.94 1ece h LEU 144 N 0.85 0.71 -0.46 0.00 3.38 -1.28 -1.04 115.31 117.46 1ece h LEU 144 Ca 0.22 -0.37 0.00 0.00 0.09 0.00 0.00 57.88 57.83 1ece h LEU 144 Cb -0.03 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 40.50 1ece h LEU 144 CO -0.04 1.10 0.29 0.00 0.09 0.00 0.00 178.44 179.87 1ece h ALA 145 N 0.92 0.58 -0.65 1.53 0.00 -0.61 -2.43 119.26 118.61 1ece h ALA 145 Ca 0.02 -0.04 -0.08 0.00 0.00 0.00 0.00 54.91 54.80 1ece h ALA 145 Cb 1.07 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 18.65 1ece h ALA 145 CO 0.10 0.05 0.07 0.37 0.00 0.00 0.00 179.25 179.84 1ece h GLN 146 N 0.61 1.08 -0.39 0.00 5.75 -0.80 -2.07 115.11 119.30 1ece h GLN 146 Ca 0.17 -0.30 -0.01 0.00 -0.15 0.00 0.00 58.65 58.35 1ece h GLN 146 Cb -0.04 -0.12 -0.02 0.00 1.07 0.00 0.00 27.48 28.37 1ece h GLN 146 CO -0.03 1.01 0.19 -0.09 -2.65 0.00 0.00 178.83 177.26 1ece h ARG 147 N 1.01 0.53 -0.29 1.69 2.43 -0.72 -2.83 114.38 116.20 1ece h ARG 147 Ca 0.19 -0.05 0.00 0.00 -0.81 0.00 0.00 59.98 59.31 1ece h ARG 147 Cb 0.47 -0.11 0.00 0.00 -0.42 0.00 0.00 29.97 29.91 1ece h ARG 147 CO 0.02 0.41 0.00 0.66 -1.51 0.00 0.00 179.97 179.55 1ece n TYR 148 N -4.42 0.71 -1.89 2.20 4.01 -1.01 -4.99 117.16 111.76 1ece n TYR 148 Ca 0.03 -0.71 -0.42 0.00 -0.16 0.00 0.00 57.90 56.63 1ece n TYR 148 Cb 0.11 -0.19 -0.03 0.00 -0.31 0.00 0.00 39.34 38.93 1ece n TYR 148 CO 0.00 0.00 0.00 0.21 -0.46 0.00 0.00 176.86 176.61 1ece s LYS 149 N -2.03 4.18 0.00 -0.72 2.20 -0.79 -0.80 119.74 121.79 1ece s LYS 149 Ca 0.33 2.36 0.00 0.00 -0.36 0.00 0.00 55.97 58.30 1ece s LYS 149 Cb 0.24 -3.73 0.00 0.00 -1.51 0.00 0.00 37.83 32.83 1ece s LYS 149 CO 0.11 -0.79 0.00 0.41 -0.36 0.00 0.00 175.35 174.73 1ece n GLY 150 N 4.10 0.52 3.02 5.54 0.00 -1.26 -5.03 105.19 112.08 1ece n GLY 150 Ca 0.17 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.88 1ece n GLY 150 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1ece s ASN 151 N -2.78 4.75 0.00 1.61 3.84 0.02 -4.98 114.94 117.40 1ece s ASN 151 Ca 0.00 -2.10 0.10 0.00 0.21 0.00 0.00 52.86 51.07 1ece s ASN 151 Cb 0.00 -1.62 0.62 0.00 -0.55 0.00 0.00 41.25 39.70 1ece s ASN 151 CO 0.00 -0.37 1.06 -2.65 -2.79 0.00 0.00 177.10 172.35 1ece n PRO 152 N 4.26 0.47 -0.25 0.43 -0.02 -1.26 -2.81 135.00 135.82 1ece n PRO 152 Ca 0.03 0.00 -0.07 0.00 -2.02 0.00 0.00 63.50 61.44 1ece n PRO 152 Cb 0.42 -1.35 0.05 0.00 -0.02 0.00 0.00 33.50 32.60 1ece n PRO 152 CO 0.00 0.00 0.00 1.15 1.98 0.00 0.00 175.50 178.63 1ece h THR 153 N 0.00 1.24 -2.83 3.45 2.02 -1.92 -3.34 112.91 111.53 1ece h THR 153 Ca 0.00 -0.76 -0.62 0.00 0.77 0.00 0.00 66.41 65.80 1ece h THR 153 Cb 0.00 0.45 -0.14 0.00 -1.74 0.00 0.00 68.15 66.73 1ece h THR 153 CO 0.00 0.30 0.56 -0.69 0.37 0.00 0.00 175.52 176.06 1ece s VAL 154 N -5.56 4.33 -0.47 3.16 1.01 -1.12 -0.63 120.40 121.12 1ece s VAL 154 Ca -0.13 -0.13 0.24 0.00 0.00 0.00 0.00 61.98 61.96 1ece s VAL 154 Cb 0.14 -4.64 0.11 0.00 0.00 0.00 0.00 36.38 32.00 1ece s VAL 154 CO 0.82 -1.35 1.32 -0.37 0.00 0.00 0.00 175.10 175.52 1ece h VAL 155 N 5.99 0.00 0.00 2.92 -1.51 -1.47 -3.48 116.25 118.70 1ece h VAL 155 Ca -0.28 -0.77 0.00 0.00 -1.23 0.00 0.00 66.70 64.42 1ece h VAL 155 Cb 1.07 1.44 0.00 0.00 -2.13 0.00 0.00 31.29 31.67 1ece h VAL 155 CO 1.15 0.00 0.00 0.61 -1.23 0.00 0.00 177.57 178.10 1ece n GLY 156 N 1.23 -0.78 3.28 5.19 0.00 -1.26 -1.24 105.19 111.61 1ece n GLY 156 Ca 0.02 -0.99 -0.28 0.00 0.00 0.00 0.00 46.02 44.78 1ece n GLY 156 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1ece s PHE 157 N -2.00 2.04 -0.66 1.61 0.40 -0.81 -2.63 117.98 115.93 1ece s PHE 157 Ca 0.00 -0.39 -0.11 0.00 -0.60 0.00 0.00 56.93 55.83 1ece s PHE 157 Cb 0.00 -1.24 0.17 0.00 0.51 0.00 0.00 43.02 42.45 1ece s PHE 157 CO 0.00 0.06 0.56 0.34 0.70 0.00 0.00 175.22 176.88 1ece s ASP 158 N -1.00 6.12 0.31 1.36 -1.08 0.80 -1.25 116.67 121.93 1ece s ASP 158 Ca 0.09 -2.39 0.03 0.00 -0.52 0.00 0.00 52.55 49.77 1ece s ASP 158 Cb -0.09 -2.09 0.79 0.00 -1.46 0.00 0.00 42.92 40.06 1ece s ASP 158 CO 0.01 -0.61 1.59 -0.07 0.52 0.00 0.00 175.17 176.61 1ece h LEU 159 N 7.98 -0.29 -7.01 -1.34 3.38 -1.82 -1.95 115.31 114.27 1ece h LEU 159 Ca -0.06 0.26 0.01 0.00 0.09 0.00 0.00 57.88 58.17 1ece h LEU 159 Cb 1.04 0.41 -0.21 0.00 0.09 0.00 0.00 40.66 41.99 1ece h LEU 159 CO 0.82 -0.31 0.02 -2.28 0.09 0.00 0.00 178.44 176.78 1ece s HIS 160 N -5.95 -1.03 -0.11 1.13 5.04 -1.26 -4.55 115.29 108.57 1ece s HIS 160 Ca -0.12 2.09 -0.29 0.00 -1.54 0.00 0.00 55.06 55.20 1ece s HIS 160 Cb 0.29 0.60 -0.01 0.00 0.04 0.00 0.00 32.58 33.49 1ece s HIS 160 CO 0.78 -0.51 1.00 1.21 -2.34 0.00 0.00 174.74 174.87 1ece s ASN 161 N 1.52 7.23 -0.99 9.88 2.47 -0.56 -4.51 114.94 129.99 1ece s ASN 161 Ca -0.09 1.51 -0.11 0.00 0.42 0.00 0.00 52.86 54.59 1ece s ASN 161 Cb -0.05 -2.55 -0.02 0.00 -1.45 0.00 0.00 41.25 37.18 1ece s ASN 161 CO -0.18 -0.44 0.77 -0.62 -3.72 0.00 0.00 177.10 172.91 1ece n GLU 162 N 4.99 -1.45 -1.99 0.43 1.02 -1.26 -4.76 120.64 117.63 1ece n GLU 162 Ca 0.08 0.80 -0.37 0.00 -0.02 0.00 0.00 57.16 57.65 1ece n GLU 162 Cb 0.49 -4.51 0.03 0.00 -0.02 0.00 0.00 31.44 27.43 1ece n GLU 162 CO 0.00 0.00 0.00 -2.14 1.18 0.00 0.00 177.13 176.17 1ece s PRO 163 N -4.91 3.11 0.32 3.49 0.02 -1.26 -4.43 135.00 131.34 1ece s PRO 163 Ca 0.30 1.92 -0.07 0.00 0.02 0.00 0.00 61.00 63.17 1ece s PRO 163 Cb -0.09 -2.07 0.03 0.00 0.02 0.00 0.00 34.50 32.39 1ece s PRO 163 CO 0.82 -1.12 0.55 -2.39 -0.33 0.00 0.00 177.00 174.53 1ece n HIS 164 N -1.31 -1.76 -1.49 6.54 1.44 -0.74 -2.38 115.22 115.51 1ece n HIS 164 Ca 0.12 -1.81 -0.50 0.00 -2.01 0.00 0.00 57.72 53.52 1ece n HIS 164 Cb 0.48 0.64 -0.04 0.00 0.12 0.00 0.00 29.99 31.19 1ece n HIS 164 CO 0.00 0.00 0.00 -0.25 -2.81 0.00 0.00 176.34 173.28 1ece n ASP 165 N -1.57 0.00 -0.12 4.39 8.00 -1.26 -0.01 116.55 125.99 1ece n ASP 165 Ca -0.04 1.15 0.00 0.00 0.71 0.00 0.00 54.79 56.61 1ece n ASP 165 Cb 0.51 -1.06 0.00 0.00 -0.02 0.00 0.00 41.12 40.55 1ece n ASP 165 CO 0.00 0.00 0.00 -0.81 -0.39 0.00 0.00 177.20 176.00 1ece n PRO 166 N 1.26 0.98 -1.80 -0.24 -0.04 -1.26 -4.82 135.00 129.07 1ece n PRO 166 Ca 0.17 0.00 -0.41 0.00 -0.04 0.00 0.00 63.50 63.22 1ece n PRO 166 Cb 0.22 -1.12 0.00 0.00 -0.04 0.00 0.00 33.50 32.57 1ece n PRO 166 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1ece s ALA 167 N -1.76 3.52 0.33 0.55 0.00 0.99 -4.87 121.76 120.52 1ece s ALA 167 Ca 0.00 1.56 0.06 0.00 0.00 0.00 0.00 51.96 53.58 1ece s ALA 167 Cb 0.00 -3.61 -0.07 0.00 0.00 0.00 0.00 23.12 19.45 1ece s ALA 167 CO 0.00 -1.08 -0.01 0.00 0.00 0.00 0.00 175.76 174.67 1ece s TRP 169 N -2.99 3.16 -0.17 0.00 -0.11 -1.26 -0.61 118.94 116.95 1ece s TRP 169 Ca 0.33 -2.23 0.00 0.00 1.22 0.00 0.00 56.10 55.42 1ece s TRP 169 Cb 0.07 -1.90 0.00 0.00 -1.50 0.00 0.00 33.47 30.14 1ece s TRP 169 CO 0.15 -0.87 0.00 0.41 -4.62 0.00 0.00 176.95 172.02 1ece n GLY 170 N 4.46 0.49 0.00 5.86 0.00 -1.26 -4.91 105.19 109.83 1ece n GLY 170 Ca -0.14 -0.21 0.11 0.00 0.00 0.00 0.00 46.02 45.78 1ece n GLY 170 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ece n GLY 172 N 0.80 2.69 3.58 0.00 0.00 -1.26 -5.01 105.19 105.99 1ece n GLY 172 Ca 0.09 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.68 1ece n GLY 172 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1ece s ASP 173 N -1.86 6.52 0.00 1.61 -1.08 -1.26 -4.91 116.67 115.69 1ece s ASP 173 Ca 0.00 0.21 0.00 0.00 -0.52 0.00 0.00 52.55 52.24 1ece s ASP 173 Cb 0.00 -2.53 0.01 0.00 -1.46 0.00 0.00 42.92 38.94 1ece s ASP 173 CO 0.00 -1.31 0.85 -2.65 0.52 0.00 0.00 175.17 172.58 1ece n PRO 174 N 7.94 0.00 -0.00 4.34 -0.02 -1.26 -0.65 135.00 145.36 1ece n PRO 174 Ca 0.09 0.35 0.10 0.00 -2.02 0.00 0.00 63.50 62.02 1ece n PRO 174 Cb 0.49 -1.66 -0.12 0.00 -0.02 0.00 0.00 33.50 32.19 1ece n PRO 174 CO 0.00 0.00 0.00 -1.13 1.98 0.00 0.00 175.50 176.35 1ece n SER 175 N -1.36 0.93 0.00 2.55 3.41 -1.26 -4.50 113.62 113.39 1ece n SER 175 Ca -0.00 -0.94 0.00 0.00 -0.26 0.00 0.00 58.87 57.67 1ece n SER 175 Cb 0.15 1.05 0.00 0.00 -0.26 0.00 0.00 64.21 65.15 1ece n SER 175 CO 0.00 0.00 0.00 2.30 -0.16 0.00 0.00 175.04 177.18 1ece n ILE 176 N -1.53 0.00 -2.35 -1.33 -5.35 -0.63 -5.00 119.36 103.18 1ece n ILE 176 Ca 0.03 -0.11 -0.37 0.00 -0.27 0.00 0.00 62.75 62.04 1ece n ILE 176 Cb 0.33 1.25 -0.04 0.00 -1.74 0.00 0.00 39.64 39.45 1ece n ILE 176 CO 0.00 0.00 0.00 -0.62 -1.76 0.00 0.00 176.55 174.17 1ece s ASP 177 N -0.15 5.91 0.43 7.28 -1.08 0.18 -0.01 116.67 129.22 1ece s ASP 177 Ca 0.00 -0.81 0.08 0.00 -0.52 0.00 0.00 52.55 51.30 1ece s ASP 177 Cb 0.00 -2.56 0.92 0.00 -1.46 0.00 0.00 42.92 39.82 1ece s ASP 177 CO 0.00 -2.02 2.07 -0.25 0.52 0.00 0.00 175.17 175.48 1ece h TRP 178 N 10.92 0.43 -0.92 -5.34 2.91 -1.20 -2.73 115.95 120.03 1ece h TRP 178 Ca 0.02 0.01 0.05 0.00 1.13 0.00 0.00 58.89 60.10 1ece h TRP 178 Cb 1.04 -0.14 -0.06 0.00 -0.51 0.00 0.00 29.16 29.49 1ece h TRP 178 CO 1.20 0.28 0.60 -0.09 -1.03 0.00 0.00 178.44 179.40 1ece h ARG 179 N 0.46 1.06 0.01 2.65 1.12 -1.89 0.10 114.38 117.89 1ece h ARG 179 Ca 0.12 -0.06 -0.25 0.00 -1.11 0.00 0.00 59.98 58.68 1ece h ARG 179 Cb -0.03 -0.24 0.01 0.00 -0.01 0.00 0.00 29.97 29.70 1ece h ARG 179 CO -0.02 0.70 -1.02 -0.07 -3.11 0.00 0.00 179.97 176.45 1ece h LEU 180 N 1.09 0.73 -0.72 3.80 3.38 -1.86 -3.12 115.31 118.61 1ece h LEU 180 Ca 0.38 -0.59 -0.05 0.00 0.09 0.00 0.00 57.88 57.71 1ece h LEU 180 Cb 0.11 -0.22 -0.03 0.00 0.09 0.00 0.00 40.66 40.61 1ece h LEU 180 CO -0.13 1.40 0.25 0.00 0.09 0.00 0.00 178.44 180.04 1ece h ALA 181 N 0.55 0.94 -0.48 1.53 0.00 -1.13 -1.84 119.26 118.84 1ece h ALA 181 Ca -0.11 -0.21 -0.05 0.00 0.00 0.00 0.00 54.91 54.54 1ece h ALA 181 Cb 1.67 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 19.15 1ece h ALA 181 CO 0.19 0.60 0.10 0.00 0.00 0.00 0.00 179.25 180.14 1ece h ALA 182 N 1.12 1.28 -0.53 0.00 0.00 -1.08 -1.55 119.26 118.50 1ece h ALA 182 Ca 0.23 -0.20 -0.09 0.00 0.00 0.00 0.00 54.91 54.86 1ece h ALA 182 Cb 0.28 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.85 1ece h ALA 182 CO -0.01 0.50 -0.01 0.93 0.00 0.00 0.00 179.25 180.67 1ece h GLU 183 N 0.70 0.93 -0.27 0.00 5.08 -1.34 0.25 114.58 119.94 1ece h GLU 183 Ca 0.16 -0.30 -0.02 0.00 -1.00 0.00 0.00 59.36 58.19 1ece h GLU 183 Cb 0.29 -0.08 -0.01 0.00 0.50 0.00 0.00 28.75 29.45 1ece h GLU 183 CO 0.00 0.95 0.07 -0.09 -1.00 0.00 0.00 179.01 178.95 1ece h ARG 184 N 0.81 0.42 -0.10 2.33 2.43 -1.01 0.10 114.38 119.35 1ece h ARG 184 Ca 0.15 -0.10 -0.15 0.00 -0.81 0.00 0.00 59.98 59.07 1ece h ARG 184 Cb 0.54 -0.06 0.01 0.00 -0.42 0.00 0.00 29.97 30.04 1ece h ARG 184 CO 0.03 0.50 -0.51 0.00 -1.51 0.00 0.00 179.97 178.48 1ece h ALA 185 N 0.90 0.20 -0.11 2.80 0.00 -1.28 -2.54 119.26 119.23 1ece h ALA 185 Ca 0.08 -0.51 0.04 0.00 0.00 0.00 0.00 54.91 54.52 1ece h ALA 185 Cb 0.27 -0.01 -0.04 0.00 0.00 0.00 0.00 17.79 18.01 1ece h ALA 185 CO -0.00 0.39 -0.12 0.78 0.00 0.00 0.00 179.25 180.29 1ece h GLY 186 N 0.13 -0.05 2.00 0.00 0.00 -0.47 -1.42 103.07 103.25 1ece h GLY 186 Ca -0.03 0.15 -0.04 0.00 0.00 0.00 0.00 47.33 47.41 1ece h GLY 186 CO 0.11 -0.13 -0.18 3.43 0.00 0.00 0.00 176.54 179.76 1ece h ASN 187 N -0.16 0.00 0.10 0.19 2.35 -1.04 -1.99 115.58 115.03 1ece h ASN 187 Ca 0.08 0.00 -0.16 0.00 -0.55 0.00 0.00 56.30 55.67 1ece h ASN 187 Cb 0.28 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.64 1ece h ASN 187 CO -0.21 0.18 -0.59 0.00 -1.65 0.00 0.00 177.43 175.17 1ece h ALA 188 N 1.82 0.70 -0.09 -0.83 0.00 -0.89 -2.74 119.26 117.23 1ece h ALA 188 Ca -0.00 -0.53 -0.06 0.00 0.00 0.00 0.00 54.91 54.31 1ece h ALA 188 Cb 0.35 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.06 1ece h ALA 188 CO 0.02 0.70 -0.19 0.28 0.00 0.00 0.00 179.25 180.06 1ece h VAL 189 N 0.38 1.40 0.00 0.00 2.07 -1.01 -3.05 116.25 116.04 1ece h VAL 189 Ca -0.00 -1.50 0.00 0.00 0.82 0.00 0.00 66.70 66.02 1ece h VAL 189 Cb 1.13 2.17 0.00 0.00 -1.52 0.00 0.00 31.29 33.07 1ece h VAL 189 CO 0.11 0.43 0.00 0.18 0.02 0.00 0.00 177.57 178.30 1ece n LEU 190 N -4.54 0.39 0.20 2.57 4.77 -0.77 -0.62 117.00 119.00 1ece n LEU 190 Ca -0.08 0.67 0.12 0.00 -0.03 0.00 0.00 56.01 56.70 1ece n LEU 190 Cb 0.41 -0.71 0.18 0.00 -2.33 0.00 0.00 43.42 40.97 1ece n LEU 190 CO 0.39 -0.77 0.74 0.28 -1.33 0.00 0.00 177.39 176.70 1ece h SER 191 N 0.00 0.00 0.03 -1.43 0.02 -1.36 -3.12 113.55 107.69 1ece h SER 191 Ca 0.00 -0.00 -0.38 0.00 -0.84 0.00 0.00 61.79 60.56 1ece h SER 191 Cb 0.04 0.00 -0.05 0.00 0.14 0.00 0.00 62.40 62.52 1ece h SER 191 CO 0.00 0.00 -2.27 0.52 -1.14 0.00 0.00 176.83 173.94 1ece n VAL 192 N -2.97 1.58 -3.38 2.27 0.31 0.21 -4.89 118.33 111.46 1ece n VAL 192 Ca 0.04 -0.53 -0.17 0.00 -0.01 0.00 0.00 64.34 63.67 1ece n VAL 192 Cb 0.52 -1.62 -0.09 0.00 -0.91 0.00 0.00 33.84 31.74 1ece n VAL 192 CO 0.00 0.00 0.00 0.21 -1.32 0.00 0.00 176.83 175.72 1ece s ASN 193 N -6.83 1.49 0.00 4.52 3.84 -0.68 -4.93 114.94 112.34 1ece s ASN 193 Ca -0.32 -1.00 0.04 0.00 0.21 0.00 0.00 52.86 51.79 1ece s ASN 193 Cb 0.09 0.54 0.20 0.00 -0.55 0.00 0.00 41.25 41.53 1ece s ASN 193 CO 0.63 -0.35 1.03 -2.65 -2.79 0.00 0.00 177.10 172.98 1ece n PRO 194 N 4.98 0.04 0.00 0.43 -0.02 -1.18 -2.23 135.00 137.02 1ece n PRO 194 Ca 0.02 0.32 0.11 0.00 -2.02 0.00 0.00 63.50 61.94 1ece n PRO 194 Cb 0.46 -1.50 0.10 0.00 -0.02 0.00 0.00 33.50 32.54 1ece n PRO 194 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 1ece n ASN 195 N -1.37 1.17 -4.77 2.55 3.02 -1.26 -4.96 115.26 109.63 1ece n ASN 195 Ca 0.02 -0.95 -0.37 0.00 -0.03 0.00 0.00 54.58 53.25 1ece n ASN 195 Cb 0.04 0.51 -0.02 0.00 -0.61 0.00 0.00 39.78 39.70 1ece n ASN 195 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 1ece s LEU 196 N -2.75 4.07 0.20 3.41 1.43 -0.95 -4.36 118.68 119.74 1ece s LEU 196 Ca 0.15 2.24 -0.17 0.00 -1.03 0.00 0.00 54.13 55.32 1ece s LEU 196 Cb 0.18 -4.19 -0.08 0.00 0.03 0.00 0.00 46.19 42.13 1ece s LEU 196 CO 0.68 -0.77 0.66 -0.76 0.23 0.00 0.00 176.35 176.39 1ece s LEU 197 N -2.84 4.32 -0.25 1.79 1.43 -0.37 -4.87 118.68 117.88 1ece s LEU 197 Ca 0.61 1.29 -0.01 0.00 -1.03 0.00 0.00 54.13 54.99 1ece s LEU 197 Cb -0.27 -3.52 0.03 0.00 0.03 0.00 0.00 46.19 42.46 1ece s LEU 197 CO 0.33 0.04 -0.07 -0.63 0.23 0.00 0.00 176.35 176.25 1ece s ILE 198 N -1.54 2.76 -0.33 -0.59 -1.09 0.44 -1.92 121.20 118.93 1ece s ILE 198 Ca 0.42 -1.13 -0.14 0.00 -2.23 0.00 0.00 60.65 57.57 1ece s ILE 198 Cb -0.16 -2.43 -0.02 0.00 -1.58 0.00 0.00 42.46 38.27 1ece s ILE 198 CO 0.20 0.16 0.29 -0.36 -1.23 0.00 0.00 174.94 174.00 1ece s PHE 199 N 1.29 3.22 -0.25 3.97 0.40 -0.38 -1.40 117.98 124.83 1ece s PHE 199 Ca -0.01 -0.07 -0.05 0.00 -0.60 0.00 0.00 56.93 56.20 1ece s PHE 199 Cb -0.17 -2.55 -0.00 0.00 0.51 0.00 0.00 43.02 40.81 1ece s PHE 199 CO -0.05 -0.36 0.01 0.08 0.70 0.00 0.00 175.22 175.60 1ece s VAL 200 N 1.86 3.61 0.69 -0.44 1.01 -0.44 -3.12 120.40 123.57 1ece s VAL 200 Ca 0.09 -0.57 -0.10 0.00 0.00 0.00 0.00 61.98 61.40 1ece s VAL 200 Cb -0.17 -2.74 0.02 0.00 0.00 0.00 0.00 36.38 33.50 1ece s VAL 200 CO 0.11 0.29 1.06 -1.61 0.00 0.00 0.00 175.10 174.95 1ece s GLU 201 N 1.49 2.76 0.05 2.72 2.02 -1.26 -1.60 118.70 124.87 1ece s GLU 201 Ca 0.04 0.31 -0.00 0.00 0.02 0.00 0.00 54.97 55.33 1ece s GLU 201 Cb -0.15 -2.07 0.01 0.00 0.10 0.00 0.00 34.13 32.01 1ece s GLU 201 CO -0.01 -1.03 0.07 0.41 0.02 0.00 0.00 175.26 174.72 1ece n GLY 202 N -2.95 -0.04 0.00 -1.39 0.00 -0.26 -4.87 105.19 95.68 1ece n GLY 202 Ca 0.07 -1.84 0.00 0.00 0.00 0.00 0.00 46.02 44.25 1ece n GLY 202 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 1ece n VAL 203 N -1.73 0.00 -0.09 1.61 0.24 -0.59 -3.74 118.33 114.03 1ece n VAL 203 Ca 0.01 0.00 -0.14 0.00 -2.04 0.00 0.00 64.34 62.16 1ece n VAL 203 Cb 0.03 -0.21 -0.08 0.00 -1.47 0.00 0.00 33.84 32.11 1ece n VAL 203 CO 0.00 0.00 0.00 1.67 -2.14 0.00 0.00 176.83 176.36 1ece n GLN 204 N 0.00 0.43 -4.22 7.34 7.27 -1.25 -0.87 117.38 126.07 1ece n GLN 204 Ca 0.00 0.12 -0.17 0.00 0.07 0.00 0.00 57.00 57.03 1ece n GLN 204 Cb 0.00 -1.30 -0.13 0.00 2.41 0.00 0.00 30.24 31.22 1ece n GLN 204 CO 0.00 0.00 0.00 -1.54 0.07 0.00 0.00 177.06 175.59 1ece s SER 205 N -5.98 1.08 -0.09 1.69 1.04 -1.26 -1.23 113.70 108.94 1ece s SER 205 Ca -0.24 -0.35 -0.04 0.00 0.48 0.00 0.00 55.95 55.80 1ece s SER 205 Cb 0.07 -0.06 0.05 0.00 0.10 0.00 0.00 66.02 66.18 1ece s SER 205 CO 0.39 -0.02 0.19 -0.47 0.98 0.00 0.00 173.24 174.31 1ece s TYR 206 N -0.73 -0.25 -1.35 5.02 5.04 -0.20 -4.72 117.35 120.16 1ece s TYR 206 Ca -0.01 0.67 -0.04 0.00 -2.44 0.00 0.00 57.07 55.25 1ece s TYR 206 Cb -0.06 -0.10 0.02 0.00 0.35 0.00 0.00 41.96 42.17 1ece s TYR 206 CO 0.00 -0.24 0.84 0.09 -1.34 0.00 0.00 175.55 174.90 1ece n ASN 207 N 4.74 -2.55 0.00 4.32 3.02 -1.26 -1.37 115.26 122.16 1ece n ASN 207 Ca -0.16 -0.76 0.00 0.00 -0.03 0.00 0.00 54.58 53.62 1ece n ASN 207 Cb 0.51 -4.22 0.00 0.00 -0.61 0.00 0.00 39.78 35.46 1ece n ASN 207 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1ece n GLY 208 N -1.59 0.31 3.53 7.41 0.00 -1.26 -4.98 105.19 108.61 1ece n GLY 208 Ca -0.19 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.47 1ece n GLY 208 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1ece s ASP 209 N -2.13 5.28 0.07 1.61 2.15 -0.47 -5.10 116.67 118.09 1ece s ASP 209 Ca 0.00 -0.08 0.04 0.00 0.43 0.00 0.00 52.55 52.94 1ece s ASP 209 Cb 0.00 -1.92 -0.04 0.00 -0.30 0.00 0.00 42.92 40.66 1ece s ASP 209 CO 0.00 0.07 0.01 -0.44 -0.17 0.00 0.00 175.17 174.65 1ece s SER 210 N 0.96 5.13 0.23 -0.34 0.01 -1.26 -1.03 113.70 117.40 1ece s SER 210 Ca 0.03 -0.12 -0.01 0.00 1.31 0.00 0.00 55.95 57.16 1ece s SER 210 Cb -0.14 -1.27 0.00 0.00 0.21 0.00 0.00 66.02 64.83 1ece s SER 210 CO 0.03 0.19 0.32 0.00 0.41 0.00 0.00 173.24 174.18 1ece n TYR 211 N 0.67 -1.07 -1.68 2.43 9.36 -0.37 -5.00 117.16 121.50 1ece n TYR 211 Ca -0.11 -1.57 -0.39 0.00 3.32 0.00 0.00 57.90 59.16 1ece n TYR 211 Cb 0.52 0.36 0.04 0.00 -0.63 0.00 0.00 39.34 39.63 1ece n TYR 211 CO 0.00 0.00 0.00 0.91 0.22 0.00 0.00 176.86 177.99 1ece n TRP 212 N -0.38 1.62 -1.70 2.98 7.02 -1.26 -4.80 117.44 120.91 1ece n TRP 212 Ca 0.01 0.45 -0.43 0.00 -1.02 0.00 0.00 57.50 56.51 1ece n TRP 212 Cb 0.39 -2.27 -0.01 0.00 -2.42 0.00 0.00 31.31 27.00 1ece n TRP 212 CO 0.00 0.00 0.00 0.91 -2.02 0.00 0.00 177.69 176.58 1ece n TRP 213 N -1.18 2.37 -0.65 -5.99 8.01 -1.26 -0.73 117.44 118.00 1ece n TRP 213 Ca 0.11 0.47 0.00 0.00 -1.31 0.00 0.00 57.50 56.77 1ece n TRP 213 Cb 0.45 -2.46 0.00 0.00 -2.01 0.00 0.00 31.31 27.28 1ece n TRP 213 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.69 177.09 1ece n GLY 214 N 1.36 1.00 0.30 6.99 0.00 -1.00 -4.61 105.19 109.23 1ece n GLY 214 Ca 0.07 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.17 1ece n GLY 214 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ece n GLY 215 N -2.00 -0.11 3.43 -0.02 0.00 0.09 -1.11 105.19 105.47 1ece n GLY 215 Ca 0.00 -0.46 -0.44 0.00 0.00 0.00 0.00 46.02 45.13 1ece n GLY 215 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1ece s ASN 216 N -1.98 6.21 -0.21 1.61 3.84 -0.05 -4.58 114.94 119.76 1ece s ASN 216 Ca 0.12 -1.05 0.15 0.00 0.21 0.00 0.00 52.86 52.29 1ece s ASN 216 Cb 0.13 -2.34 0.58 0.00 -0.55 0.00 0.00 41.25 39.06 1ece s ASN 216 CO 0.44 -1.15 1.50 0.18 -2.79 0.00 0.00 177.10 175.28 1ece n LEU 217 N 6.77 4.34 0.00 3.21 4.77 -0.52 -1.54 117.00 134.04 1ece n LEU 217 Ca -0.06 -3.13 0.21 0.00 -0.03 0.00 0.00 56.01 53.00 1ece n LEU 217 Cb 0.45 -0.59 0.70 0.00 -2.33 0.00 0.00 43.42 41.65 1ece n LEU 217 CO 0.59 0.76 1.19 1.56 -1.33 0.00 0.00 177.39 180.16 1ece h GLN 218 N 2.00 0.00 -0.01 3.23 4.20 -1.79 -1.70 115.11 121.04 1ece h GLN 218 Ca 0.06 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.77 1ece h GLN 218 Cb 1.62 0.00 0.00 0.00 0.30 0.00 0.00 27.48 29.40 1ece h GLN 218 CO 0.33 0.00 -0.26 0.41 -0.67 0.00 0.00 178.83 178.64 1ece n GLY 219 N -1.63 -0.13 0.30 3.46 0.00 -1.26 -4.27 105.19 101.67 1ece n GLY 219 Ca 0.10 -0.52 -0.00 0.00 0.00 0.00 0.00 46.02 45.60 1ece n GLY 219 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ece h ALA 220 N 3.97 1.40 -0.32 4.61 0.00 -1.48 0.86 119.26 128.30 1ece h ALA 220 Ca 0.00 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.77 1ece h ALA 220 Cb 0.64 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 18.21 1ece h ALA 220 CO 0.00 0.45 0.21 0.78 0.00 0.00 0.00 179.25 180.69 1ece h GLY 221 N 0.86 0.44 1.41 0.00 0.00 -1.75 -2.17 103.07 101.87 1ece h GLY 221 Ca 0.17 -0.17 -0.25 0.00 0.00 0.00 0.00 47.33 47.08 1ece h GLY 221 CO -0.02 0.16 -1.40 -1.61 0.00 0.00 0.00 176.54 173.68 1ece h GLN 222 N 0.43 0.00 -2.67 4.80 4.15 -1.74 -3.40 115.11 116.68 1ece h GLN 222 Ca 0.12 0.00 -0.61 0.00 0.77 0.00 0.00 58.65 58.93 1ece h GLN 222 Cb -0.05 0.00 -0.41 0.00 0.21 0.00 0.00 27.48 27.23 1ece h GLN 222 CO -0.03 0.69 -0.70 0.66 -1.93 0.00 0.00 178.83 177.52 1ece n TYR 223 N -3.17 2.20 -2.01 3.99 4.01 0.29 -5.10 117.16 117.38 1ece n TYR 223 Ca -0.10 -4.02 -0.34 0.00 -0.16 0.00 0.00 57.90 53.28 1ece n TYR 223 Cb 1.00 -0.41 0.03 0.00 -0.31 0.00 0.00 39.34 39.64 1ece n TYR 223 CO 0.00 0.00 0.00 -1.25 -0.46 0.00 0.00 176.86 175.15 1ece s PRO 224 N -1.35 3.07 -0.01 -0.72 0.04 -0.82 -4.27 135.00 130.94 1ece s PRO 224 Ca 0.30 1.53 -0.24 0.00 0.04 0.00 0.00 61.00 62.64 1ece s PRO 224 Cb 0.03 -1.97 -0.05 0.00 0.04 0.00 0.00 34.50 32.55 1ece s PRO 224 CO -0.14 -1.06 0.72 0.08 0.04 0.00 0.00 177.00 176.64 1ece s VAL 225 N -2.01 4.90 -0.22 -0.36 1.01 -1.26 -5.03 120.40 117.43 1ece s VAL 225 Ca 0.71 1.52 -0.00 0.00 0.00 0.00 0.00 61.98 64.20 1ece s VAL 225 Cb -0.23 -4.07 0.06 0.00 0.00 0.00 0.00 36.38 32.14 1ece s VAL 225 CO 0.34 0.31 -0.04 -0.69 0.00 0.00 0.00 175.10 175.03 1ece s VAL 226 N 0.34 1.27 0.39 2.92 1.01 -1.26 -5.10 120.40 119.96 1ece s VAL 226 Ca 0.38 -0.99 0.07 0.00 0.00 0.00 0.00 61.98 61.44 1ece s VAL 226 Cb -0.19 -1.56 0.00 0.00 0.00 0.00 0.00 36.38 34.63 1ece s VAL 226 CO 0.20 -0.08 0.53 -0.76 0.00 0.00 0.00 175.10 174.99 1ece s LEU 227 N 1.52 3.79 0.44 3.92 1.43 -1.26 -4.95 118.68 123.56 1ece s LEU 227 Ca -0.04 -0.33 0.24 0.00 -1.03 0.00 0.00 54.13 52.97 1ece s LEU 227 Cb -0.18 -2.70 0.91 0.00 0.03 0.00 0.00 46.19 44.25 1ece s LEU 227 CO -0.07 -0.63 1.82 0.78 0.23 0.00 0.00 176.35 178.48 1ece h ASN 228 N 0.74 0.00 -3.38 2.29 -0.26 -1.93 -3.41 115.58 109.63 1ece h ASN 228 Ca -0.42 0.00 -0.67 0.00 -0.56 0.00 0.00 56.30 54.65 1ece h ASN 228 Cb 1.27 0.00 -0.34 0.00 -1.06 0.00 0.00 38.32 38.20 1ece h ASN 228 CO 0.48 0.23 -0.80 -0.69 -1.06 0.00 0.00 177.43 175.59 1ece s VAL 229 N -3.64 2.49 0.62 2.81 1.01 -1.26 -5.12 120.40 117.32 1ece s VAL 229 Ca 0.01 -1.04 -0.18 0.00 0.00 0.00 0.00 61.98 60.77 1ece s VAL 229 Cb 0.10 -2.20 -0.02 0.00 0.00 0.00 0.00 36.38 34.26 1ece s VAL 229 CO 0.64 0.32 1.25 -2.84 0.00 0.00 0.00 175.10 174.47 1ece s PRO 230 N 1.29 2.74 -1.10 2.72 0.02 -1.26 -4.05 135.00 135.36 1ece s PRO 230 Ca 0.01 1.93 -0.04 0.00 0.02 0.00 0.00 61.00 62.92 1ece s PRO 230 Cb -0.15 -1.89 0.00 0.00 0.02 0.00 0.00 34.50 32.48 1ece s PRO 230 CO -0.08 -1.42 0.94 0.09 -0.33 0.00 0.00 177.00 176.21 1ece n ASN 231 N -1.79 -4.09 0.00 2.53 4.13 -1.26 -4.90 115.26 109.88 1ece n ASN 231 Ca 0.15 -0.49 0.00 0.00 1.68 0.00 0.00 54.58 55.91 1ece n ASN 231 Cb 0.49 -4.41 0.00 0.00 -1.54 0.00 0.00 39.78 34.32 1ece n ASN 231 CO 0.00 0.00 0.00 0.54 0.28 0.00 0.00 177.26 178.08 1ece n ARG 232 N -4.05 2.21 -3.23 3.52 5.12 -1.26 -1.33 116.66 117.65 1ece n ARG 232 Ca -0.11 -0.09 -0.39 0.00 -1.93 0.00 0.00 57.85 55.34 1ece n ARG 232 Cb 0.59 -0.42 -0.06 0.00 -1.16 0.00 0.00 32.46 31.41 1ece n ARG 232 CO 0.00 0.00 0.00 -1.17 -1.93 0.00 0.00 177.63 174.53 1ece s LEU 233 N -0.68 4.24 -0.11 0.55 2.96 -1.26 -0.42 118.68 123.96 1ece s LEU 233 Ca 0.00 0.85 0.00 0.00 -0.22 0.00 0.00 54.13 54.76 1ece s LEU 233 Cb 0.00 -2.78 0.02 0.00 0.50 0.00 0.00 46.19 43.93 1ece s LEU 233 CO 0.00 -0.09 -0.10 -0.69 -1.32 0.00 0.00 176.35 174.14 1ece s VAL 234 N 1.03 1.18 0.52 1.68 1.01 -0.50 -4.44 120.40 120.89 1ece s VAL 234 Ca 0.28 -0.42 -0.14 0.00 0.00 0.00 0.00 61.98 61.69 1ece s VAL 234 Cb -0.16 -1.15 -0.07 0.00 0.00 0.00 0.00 36.38 35.01 1ece s VAL 234 CO 0.11 0.39 0.97 -0.31 0.00 0.00 0.00 175.10 176.26 1ece s TYR 235 N 1.37 3.49 0.02 5.22 2.02 -0.99 -1.33 117.35 127.15 1ece s TYR 235 Ca -0.00 1.36 -0.03 0.00 -0.37 0.00 0.00 57.07 58.03 1ece s TYR 235 Cb -0.14 -2.72 -0.01 0.00 -0.40 0.00 0.00 41.96 38.69 1ece s TYR 235 CO -0.05 -0.40 0.04 0.45 -1.57 0.00 0.00 175.55 174.01 1ece s SER 236 N -3.34 0.19 0.15 2.29 0.15 -0.63 -0.76 113.70 111.74 1ece s SER 236 Ca 0.57 -0.46 -0.04 0.00 0.70 0.00 0.00 55.95 56.73 1ece s SER 236 Cb -0.10 0.16 -0.03 0.00 -1.71 0.00 0.00 66.02 64.34 1ece s SER 236 CO 0.36 -0.38 0.14 0.00 1.20 0.00 0.00 173.24 174.57 1ece s ALA 237 N -1.80 0.63 0.09 5.45 0.00 -0.33 -2.75 121.76 123.05 1ece s ALA 237 Ca -0.12 -1.32 0.06 0.00 0.00 0.00 0.00 51.96 50.58 1ece s ALA 237 Cb -0.07 0.94 -0.03 0.00 0.00 0.00 0.00 23.12 23.96 1ece s ALA 237 CO -0.01 -0.56 -0.15 -1.01 0.00 0.00 0.00 175.76 174.03 1ece s HIS 238 N -4.04 1.37 -0.22 0.00 3.76 -1.25 -1.53 115.29 113.39 1ece s HIS 238 Ca 0.24 -0.49 -0.16 0.00 -0.15 0.00 0.00 55.06 54.50 1ece s HIS 238 Cb 0.06 -0.75 0.06 0.00 1.11 0.00 0.00 32.58 33.06 1ece s HIS 238 CO 0.03 0.11 0.56 0.34 -0.85 0.00 0.00 174.74 174.93 1ece s ASP 239 N -2.02 -0.65 0.33 1.40 2.15 -0.93 -4.41 116.67 112.53 1ece s ASP 239 Ca 0.03 1.17 0.05 0.00 0.43 0.00 0.00 52.55 54.23 1ece s ASP 239 Cb -0.08 1.12 -0.03 0.00 -0.30 0.00 0.00 42.92 43.63 1ece s ASP 239 CO 0.03 -0.21 0.22 -0.31 -0.17 0.00 0.00 175.17 174.74 1ece s TYR 240 N 0.85 1.70 0.00 -5.34 2.02 -1.26 -3.93 117.35 111.38 1ece s TYR 240 Ca -0.04 -1.54 0.00 0.00 -0.37 0.00 0.00 57.07 55.12 1ece s TYR 240 Cb -0.05 -0.80 0.00 0.00 -0.40 0.00 0.00 41.96 40.70 1ece s TYR 240 CO -0.07 -0.71 0.00 0.00 -1.57 0.00 0.00 175.55 173.21 1ece n ALA 241 N -0.65 0.00 0.31 3.71 0.00 -1.26 -4.97 120.51 117.65 1ece n ALA 241 Ca 0.04 0.00 0.19 0.00 0.00 0.00 0.00 53.44 53.67 1ece n ALA 241 Cb 0.63 0.00 1.00 0.00 0.00 0.00 0.00 19.45 21.08 1ece n ALA 241 CO 0.00 0.00 0.00 1.79 0.00 0.00 0.00 177.50 179.29 1ece h THR 242 N 0.17 0.20 0.00 0.00 1.35 -1.95 -1.26 112.91 111.42 1ece h THR 242 Ca 0.00 -0.18 0.00 0.00 -0.55 0.00 0.00 66.41 65.68 1ece h THR 242 Cb 0.00 1.14 0.00 0.00 -1.73 0.00 0.00 68.15 67.56 1ece h THR 242 CO 0.00 0.02 0.00 0.77 -0.25 0.00 0.00 175.52 176.06 1ece h SER 243 N 0.00 0.00 0.00 5.36 4.64 -1.93 -3.13 113.55 118.49 1ece h SER 243 Ca -0.00 0.00 -0.41 0.00 -0.47 0.00 0.00 61.79 60.91 1ece h SER 243 Cb 0.14 0.00 -0.06 0.00 -0.31 0.00 0.00 62.40 62.17 1ece h SER 243 CO 0.00 0.00 -2.37 0.52 -0.87 0.00 0.00 176.83 174.11 1ece n VAL 244 N -2.74 1.42 -3.59 0.95 0.31 -0.57 -4.74 118.33 109.38 1ece n VAL 244 Ca 0.00 -0.34 -0.02 0.00 -0.01 0.00 0.00 64.34 63.98 1ece n VAL 244 Cb 0.23 -1.87 -0.05 0.00 -0.91 0.00 0.00 33.84 31.23 1ece n VAL 244 CO 0.00 0.00 0.00 -0.47 -1.32 0.00 0.00 176.83 175.04 1ece s TYR 245 N -2.49 -0.95 -0.73 3.52 5.04 -0.67 -5.07 117.35 116.00 1ece s TYR 245 Ca -0.36 1.75 -0.23 0.00 -2.44 0.00 0.00 57.07 55.80 1ece s TYR 245 Cb 0.13 0.57 -0.17 0.00 0.35 0.00 0.00 41.96 42.84 1ece s TYR 245 CO 0.45 -0.47 1.90 -2.30 -1.34 0.00 0.00 175.55 173.79 1ece n PRO 246 N 4.69 1.39 -1.62 4.97 -0.02 -1.26 -3.97 135.00 139.18 1ece n PRO 246 Ca -0.15 -1.80 -0.37 0.00 -2.02 0.00 0.00 63.50 59.17 1ece n PRO 246 Cb 0.54 -2.92 0.08 0.00 -0.02 0.00 0.00 33.50 31.18 1ece n PRO 246 CO 0.00 0.00 0.00 1.04 1.98 0.00 0.00 175.50 178.52 1ece n GLN 247 N 7.13 0.94 0.25 -0.52 1.13 -1.26 -4.88 117.38 120.17 1ece n GLN 247 Ca 0.49 0.38 0.11 0.00 -1.94 0.00 0.00 57.00 56.04 1ece n GLN 247 Cb 0.41 -2.48 0.67 0.00 0.11 0.00 0.00 30.24 28.96 1ece n GLN 247 CO 0.00 0.00 0.00 1.79 -1.44 0.00 0.00 177.06 177.41 1ece h THR 248 N 0.29 0.74 0.00 5.09 1.35 -2.02 -2.57 112.91 115.80 1ece h THR 248 Ca -0.50 -0.51 0.00 0.00 -0.55 0.00 0.00 66.41 64.85 1ece h THR 248 Cb 1.34 1.31 0.00 0.00 -1.73 0.00 0.00 68.15 69.06 1ece h THR 248 CO 0.52 0.13 0.00 -2.67 -0.25 0.00 0.00 175.52 173.24 1ece n TRP 249 N -3.88 0.01 1.05 4.73 2.14 -1.26 -0.76 117.44 119.47 1ece n TRP 249 Ca -0.02 0.00 0.14 0.00 2.07 0.00 0.00 57.50 59.69 1ece n TRP 249 Cb 0.22 -0.51 0.63 0.00 -0.81 0.00 0.00 31.31 30.85 1ece n TRP 249 CO 0.00 0.00 0.00 1.19 2.07 0.00 0.00 177.69 180.95 1ece n PHE 250 N -1.51 0.00 0.29 -2.67 3.72 -0.97 -3.05 117.46 113.27 1ece n PHE 250 Ca 0.02 0.00 0.06 0.00 -0.05 0.00 0.00 57.45 57.48 1ece n PHE 250 Cb 0.08 -0.46 0.09 0.00 -0.94 0.00 0.00 39.48 38.24 1ece n PHE 250 CO 0.00 0.00 0.00 0.43 -0.05 0.00 0.00 176.76 177.14 1ece n SER 251 N -1.46 2.34 -4.73 4.37 7.64 0.06 -4.96 113.62 116.88 1ece n SER 251 Ca 0.08 -1.67 -0.42 0.00 1.01 0.00 0.00 58.87 57.88 1ece n SER 251 Cb 0.31 -0.08 -0.03 0.00 -1.01 0.00 0.00 64.21 63.40 1ece n SER 251 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 1ece s ASP 252 N -1.02 6.87 0.36 6.43 -1.08 -1.17 -4.90 116.67 122.17 1ece s ASP 252 Ca 0.18 2.36 0.25 0.00 -0.52 0.00 0.00 52.55 54.82 1ece s ASP 252 Cb 0.11 -2.60 1.32 0.00 -1.46 0.00 0.00 42.92 40.29 1ece s ASP 252 CO 0.16 -0.58 1.76 1.55 0.52 0.00 0.00 175.17 178.59 1ece h PRO 253 N 6.01 0.00 -0.00 4.34 0.13 -1.92 -1.98 132.00 138.57 1ece h PRO 253 Ca -0.44 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.69 1ece h PRO 253 Cb 1.21 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.34 1ece h PRO 253 CO 0.81 0.00 -0.37 0.25 -0.23 0.00 0.00 178.00 178.46 1ece n THR 254 N -2.38 0.00 -1.56 1.56 -2.24 -1.26 -4.95 114.28 103.46 1ece n THR 254 Ca -0.01 -0.03 -0.48 0.00 -2.27 0.00 0.00 64.05 61.25 1ece n THR 254 Cb 0.07 0.19 -0.04 0.00 -2.10 0.00 0.00 70.33 68.45 1ece n THR 254 CO 0.00 0.00 0.00 0.33 -0.57 0.00 0.00 175.07 174.83 1ece n PHE 255 N -1.26 1.07 0.55 4.78 7.35 -0.75 0.04 117.46 129.24 1ece n PHE 255 Ca 0.08 0.73 0.06 0.00 -0.76 0.00 0.00 57.45 57.56 1ece n PHE 255 Cb 0.33 -2.23 0.19 0.00 0.35 0.00 0.00 39.48 38.12 1ece n PHE 255 CO 0.00 0.00 0.00 -0.35 -0.76 0.00 0.00 176.76 175.65 1ece n PRO 256 N 1.47 2.20 0.23 -7.13 -0.04 -1.26 -4.93 135.00 125.54 1ece n PRO 256 Ca 0.15 -1.52 0.16 0.00 -0.04 0.00 0.00 63.50 62.25 1ece n PRO 256 Cb 0.25 -1.45 0.78 0.00 -0.04 0.00 0.00 33.50 33.04 1ece n PRO 256 CO 0.00 0.00 0.00 -0.91 -0.04 0.00 0.00 175.50 174.55 1ece h ASN 257 N 2.33 0.00 1.80 3.54 2.35 -0.80 -1.51 115.58 123.28 1ece h ASN 257 Ca 0.00 0.00 -0.02 0.00 -0.55 0.00 0.00 56.30 55.73 1ece h ASN 257 Cb 0.71 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 39.08 1ece h ASN 257 CO 0.06 0.00 -0.20 -0.55 -1.65 0.00 0.00 177.43 175.08 1ece h ASN 258 N 0.00 0.00 -0.44 5.81 -0.00 -1.92 -3.39 115.58 115.64 1ece h ASN 258 Ca 0.00 0.00 0.03 0.00 -0.00 0.00 0.00 56.30 56.33 1ece h ASN 258 Cb 0.19 0.00 -0.03 0.00 -0.00 0.00 0.00 38.32 38.47 1ece h ASN 258 CO 0.00 0.09 0.24 0.24 -0.00 0.00 0.00 177.43 178.00 1ece h MET 259 N 0.00 0.47 -0.16 4.14 2.86 -1.63 -2.69 114.93 117.91 1ece h MET 259 Ca -0.00 -0.03 0.05 0.00 -2.06 0.00 0.00 59.70 57.65 1ece h MET 259 Cb 1.07 -0.11 -0.01 0.00 0.06 0.00 0.00 31.60 32.62 1ece h MET 259 CO 0.01 0.31 0.12 -1.35 1.06 0.00 0.00 176.91 177.06 1ece h PRO 260 N 0.48 0.00 -0.30 -0.22 0.11 -1.76 -1.28 132.00 129.04 1ece h PRO 260 Ca 0.18 0.00 -0.06 0.00 0.11 0.00 0.00 66.00 66.24 1ece h PRO 260 Cb 0.05 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.15 1ece h PRO 260 CO -0.11 0.00 -0.03 0.78 -0.21 0.00 0.00 178.00 178.43 1ece h GLY 261 N 0.00 0.59 0.97 -0.55 0.00 -1.74 0.27 103.07 102.60 1ece h GLY 261 Ca 0.08 -0.46 -0.07 0.00 0.00 0.00 0.00 47.33 46.88 1ece h GLY 261 CO -0.00 0.42 0.02 -2.22 0.00 0.00 0.00 176.54 174.76 1ece h ILE 262 N 0.32 1.26 -0.35 2.60 2.04 -1.43 -0.56 117.51 121.39 1ece h ILE 262 Ca 0.08 -1.00 -0.08 0.00 1.00 0.00 0.00 64.86 64.86 1ece h ILE 262 Cb 0.49 1.03 -0.01 0.00 -0.74 0.00 0.00 36.82 37.59 1ece h ILE 262 CO 0.02 0.34 -0.09 -0.50 0.00 0.00 0.00 178.15 177.93 1ece h TRP 263 N 0.62 0.76 -0.64 1.37 6.55 -1.22 -1.82 115.95 121.57 1ece h TRP 263 Ca 0.13 -0.17 -0.02 0.00 0.95 0.00 0.00 58.89 59.79 1ece h TRP 263 Cb 0.46 -0.19 -0.03 0.00 -0.86 0.00 0.00 29.16 28.54 1ece h TRP 263 CO 0.03 0.84 0.34 -0.91 -1.05 0.00 0.00 178.44 177.69 1ece h ASN 264 N 0.47 0.82 -0.47 -3.49 2.35 -0.80 0.42 115.58 114.87 1ece h ASN 264 Ca 0.09 -0.11 -0.05 0.00 -0.55 0.00 0.00 56.30 55.68 1ece h ASN 264 Cb 0.60 -0.21 -0.02 0.00 0.05 0.00 0.00 38.32 38.74 1ece h ASN 264 CO 0.04 0.70 0.09 0.50 -1.65 0.00 0.00 177.43 177.10 1ece h LYS 265 N 0.88 0.77 0.08 0.81 3.64 -1.02 0.13 116.57 121.86 1ece h LYS 265 Ca 0.22 -0.20 -0.29 0.00 -1.27 0.00 0.00 60.65 59.11 1ece h LYS 265 Cb 0.07 -0.09 -0.02 0.00 -0.41 0.00 0.00 32.23 31.78 1ece h LYS 265 CO -0.03 0.77 -1.50 -0.91 -2.27 0.00 0.00 179.45 175.51 1ece h ASN 266 N 0.64 0.26 0.00 4.20 2.35 -1.25 -3.41 115.58 118.37 1ece h ASN 266 Ca 0.14 -0.38 0.00 0.00 -0.55 0.00 0.00 56.30 55.52 1ece h ASN 266 Cb 0.37 -0.08 0.00 0.00 0.05 0.00 0.00 38.32 38.65 1ece h ASN 266 CO 0.01 1.32 0.00 -2.67 -1.65 0.00 0.00 177.43 174.43 1ece n TRP 267 N -3.36 0.00 -0.20 1.19 4.27 -0.54 -1.43 117.44 117.36 1ece n TRP 267 Ca -0.15 0.00 0.01 0.00 -3.89 0.00 0.00 57.50 53.47 1ece n TRP 267 Cb 1.03 0.00 0.11 0.00 -1.36 0.00 0.00 31.31 31.09 1ece n TRP 267 CO 0.00 0.00 0.00 0.78 -2.29 0.00 0.00 177.69 176.18 1ece h GLY 268 N 0.00 0.78 1.24 -1.67 0.00 -0.19 -1.65 103.07 101.58 1ece h GLY 268 Ca 0.00 -0.04 0.00 0.00 0.00 0.00 0.00 47.33 47.29 1ece h GLY 268 CO 0.00 -0.10 0.38 0.10 0.00 0.00 0.00 176.54 176.91 1ece h TYR 269 N 0.27 0.00 -0.01 5.60 -0.00 -0.94 0.30 116.97 122.19 1ece h TYR 269 Ca 0.31 0.00 -0.17 0.00 -0.00 0.00 0.00 58.73 58.87 1ece h TYR 269 Cb 0.46 0.00 -0.02 0.00 -0.00 0.00 0.00 36.73 37.17 1ece h TYR 269 CO -0.24 0.00 -0.79 -0.07 -0.00 0.00 0.00 178.16 177.06 1ece h LEU 270 N 0.00 0.12 0.00 0.10 3.38 -1.57 -2.43 115.31 114.91 1ece h LEU 270 Ca 0.00 -0.09 -0.00 0.00 0.09 0.00 0.00 57.88 57.87 1ece h LEU 270 Cb 0.76 -0.04 -0.00 0.00 0.09 0.00 0.00 40.66 41.47 1ece h LEU 270 CO 0.00 0.86 -0.02 0.15 0.09 0.00 0.00 178.44 179.52 1ece h PHE 271 N 0.06 0.00 -0.53 1.13 3.57 -0.59 0.72 116.94 121.31 1ece h PHE 271 Ca -0.02 0.00 0.10 0.00 3.53 0.00 0.00 57.97 61.58 1ece h PHE 271 Cb 1.38 0.00 -0.08 0.00 2.79 0.00 0.00 35.95 40.04 1ece h PHE 271 CO 0.01 0.98 0.06 -0.91 -2.23 0.00 0.00 178.31 176.23 1ece h ASN 272 N -1.00 -0.10 -0.01 0.41 2.35 -1.41 0.15 115.58 115.98 1ece h ASN 272 Ca -0.00 0.11 0.00 0.00 -0.55 0.00 0.00 56.30 55.86 1ece h ASN 272 Cb 0.98 0.17 0.00 0.00 0.05 0.00 0.00 38.32 39.52 1ece h ASN 272 CO -0.00 -0.03 0.00 0.00 -1.65 0.00 0.00 177.43 175.75 1ece n GLN 273 N -5.17 1.02 -3.78 0.81 6.02 -0.91 -4.90 117.38 110.46 1ece n GLN 273 Ca 0.07 -0.03 -0.23 0.00 -0.01 0.00 0.00 57.00 56.80 1ece n GLN 273 Cb 0.28 -1.24 0.02 0.00 1.02 0.00 0.00 30.24 30.31 1ece n GLN 273 CO 0.00 0.00 0.00 -1.71 -1.01 0.00 0.00 177.06 174.34 1ece n ASN 274 N -0.71 -1.05 -0.03 1.08 5.15 0.54 -4.90 115.26 115.34 1ece n ASN 274 Ca 0.12 -0.89 -0.22 0.00 -0.60 0.00 0.00 54.58 52.99 1ece n ASN 274 Cb 0.06 -3.71 -0.13 0.00 -0.53 0.00 0.00 39.78 35.46 1ece n ASN 274 CO 0.00 0.00 0.00 -0.38 1.40 0.00 0.00 177.26 178.28 1ece n ILE 275 N -4.30 1.70 -3.60 -1.44 5.41 0.24 -4.61 119.36 112.76 1ece n ILE 275 Ca -0.30 -0.47 -0.06 0.00 1.00 0.00 0.00 62.75 62.92 1ece n ILE 275 Cb 0.68 -1.81 -0.02 0.00 -0.71 0.00 0.00 39.64 37.78 1ece n ILE 275 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1ece s ALA 276 N -2.50 -1.85 0.61 -1.39 0.00 -1.18 -4.82 121.76 110.62 1ece s ALA 276 Ca -0.25 0.81 -0.19 0.00 0.00 0.00 0.00 51.96 52.33 1ece s ALA 276 Cb 0.07 0.40 -0.03 0.00 0.00 0.00 0.00 23.12 23.56 1ece s ALA 276 CO 0.71 -0.81 1.24 -2.14 0.00 0.00 0.00 175.76 174.76 1ece s PRO 277 N -3.01 2.82 -0.06 0.00 0.02 -1.23 -4.17 135.00 129.37 1ece s PRO 277 Ca 0.08 1.92 0.03 0.00 0.02 0.00 0.00 61.00 63.06 1ece s PRO 277 Cb -0.01 -1.90 0.00 0.00 0.02 0.00 0.00 34.50 32.62 1ece s PRO 277 CO -0.05 -1.35 -0.16 0.08 -0.33 0.00 0.00 177.00 175.19 1ece s VAL 278 N -1.51 1.44 -0.19 3.83 1.01 -1.26 -2.36 120.40 121.36 1ece s VAL 278 Ca 0.79 -0.68 0.01 0.00 0.00 0.00 0.00 61.98 62.10 1ece s VAL 278 Cb -0.33 -1.26 0.02 0.00 0.00 0.00 0.00 36.38 34.81 1ece s VAL 278 CO 0.36 0.42 -0.19 0.86 0.00 0.00 0.00 175.10 176.55 1ece s TRP 279 N 0.38 2.82 -0.86 5.22 -0.00 0.06 -1.77 118.94 124.78 1ece s TRP 279 Ca -0.12 -1.67 -0.20 0.00 -0.00 0.00 0.00 56.10 54.11 1ece s TRP 279 Cb -0.15 -1.93 0.10 0.00 -0.00 0.00 0.00 33.47 31.50 1ece s TRP 279 CO 0.04 -0.81 1.12 -1.17 -0.00 0.00 0.00 176.95 176.14 1ece s LEU 280 N 1.28 4.66 0.25 5.86 2.96 0.05 -1.19 118.68 132.57 1ece s LEU 280 Ca 0.04 -1.66 0.24 0.00 -0.22 0.00 0.00 54.13 52.53 1ece s LEU 280 Cb -0.13 -2.43 0.97 0.00 0.50 0.00 0.00 46.19 45.10 1ece s LEU 280 CO -0.12 -1.23 1.72 0.61 -1.32 0.00 0.00 176.35 176.00 1ece n GLY 281 N 5.61 -1.31 3.36 7.98 0.00 -0.58 -2.19 105.19 118.06 1ece n GLY 281 Ca 0.17 0.08 -0.13 0.00 0.00 0.00 0.00 46.02 46.13 1ece n GLY 281 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1ece s GLU 282 N -3.30 0.56 -0.27 1.61 2.02 -1.22 -4.48 118.70 113.62 1ece s GLU 282 Ca 0.05 0.61 -0.27 0.00 0.02 0.00 0.00 54.97 55.38 1ece s GLU 282 Cb 0.10 0.27 0.16 0.00 0.10 0.00 0.00 34.13 34.76 1ece s GLU 282 CO 0.41 -0.08 1.24 -0.59 0.02 0.00 0.00 175.26 176.27 1ece s PHE 283 N 0.16 -0.21 -0.07 1.61 -0.71 -1.25 -2.20 117.98 115.30 1ece s PHE 283 Ca -0.01 0.47 -0.31 0.00 -1.04 0.00 0.00 56.93 56.04 1ece s PHE 283 Cb -0.03 0.45 0.13 0.00 -1.21 0.00 0.00 43.02 42.35 1ece s PHE 283 CO 0.01 -0.13 1.38 0.20 -1.34 0.00 0.00 175.22 175.34 1ece s GLY 284 N -0.33 -0.38 -0.26 1.99 0.00 -1.26 -0.60 107.32 106.48 1ece s GLY 284 Ca 0.05 0.64 -0.36 0.00 0.00 0.00 0.00 44.72 45.05 1ece s GLY 284 CO -0.09 2.20 1.32 -1.08 0.00 0.00 0.00 173.10 175.45 1ece s THR 285 N -2.09 0.00 -0.81 0.90 -1.32 -1.26 -4.32 115.64 106.74 1ece s THR 285 Ca 0.20 0.00 0.26 0.00 -1.21 0.00 0.00 61.69 60.94 1ece s THR 285 Cb 0.05 -1.00 0.19 0.00 -1.51 0.00 0.00 72.50 70.23 1ece s THR 285 CO -0.05 0.00 1.68 0.35 -2.21 0.00 0.00 174.62 174.39 1ece n THR 286 N 0.06 0.33 -2.69 5.08 -2.24 -1.14 -4.68 114.28 108.99 1ece n THR 286 Ca 0.03 -0.18 -0.21 0.00 -2.27 0.00 0.00 64.05 61.41 1ece n THR 286 Cb 0.57 -0.38 0.01 0.00 -2.10 0.00 0.00 70.33 68.44 1ece n THR 286 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 1ece n LEU 287 N -1.96 -2.26 0.10 3.22 4.77 -1.26 -4.88 117.00 114.74 1ece n LEU 287 Ca 0.05 -0.14 -0.23 0.00 -0.03 0.00 0.00 56.01 55.67 1ece n LEU 287 Cb 0.40 -2.94 -0.14 0.00 -2.33 0.00 0.00 43.42 38.41 1ece n LEU 287 CO 0.31 -0.01 -0.11 1.56 -1.33 0.00 0.00 177.39 177.82 1ece h GLN 288 N -0.64 0.60 -6.07 3.23 1.08 -1.97 -3.46 115.11 107.88 1ece h GLN 288 Ca -0.51 -0.85 -0.53 0.00 -1.45 0.00 0.00 58.65 55.31 1ece h GLN 288 Cb 1.36 0.29 -0.02 0.00 -0.05 0.00 0.00 27.48 29.06 1ece h GLN 288 CO 0.57 1.39 -0.46 -1.54 -0.95 0.00 0.00 178.83 177.85 1ece s SER 289 N -7.45 6.31 0.43 1.46 1.04 -1.26 -4.99 113.70 109.24 1ece s SER 289 Ca -0.10 0.15 0.12 0.00 0.48 0.00 0.00 55.95 56.60 1ece s SER 289 Cb 0.05 -1.89 0.93 0.00 0.10 0.00 0.00 66.02 65.21 1ece s SER 289 CO 0.93 0.04 1.98 0.74 0.98 0.00 0.00 173.24 177.91 1ece h THR 290 N 1.58 1.14 -0.44 2.02 2.02 -2.00 -2.37 112.91 114.87 1ece h THR 290 Ca -0.49 -0.62 -0.03 0.00 0.77 0.00 0.00 66.41 66.05 1ece h THR 290 Cb 1.20 1.22 -0.02 0.00 -1.74 0.00 0.00 68.15 68.81 1ece h THR 290 CO 0.67 0.19 0.18 0.74 0.37 0.00 0.00 175.52 177.67 1ece h THR 291 N 0.12 1.20 -0.26 3.16 2.02 -1.99 -0.67 112.91 116.50 1ece h THR 291 Ca 0.03 -0.63 -0.10 0.00 0.77 0.00 0.00 66.41 66.48 1ece h THR 291 Cb 0.30 0.79 -0.01 0.00 -1.74 0.00 0.00 68.15 67.49 1ece h THR 291 CO 0.02 0.23 -0.25 0.44 0.37 0.00 0.00 175.52 176.33 1ece h ASP 292 N 0.57 0.50 0.03 4.18 5.19 -1.84 0.61 116.42 125.65 1ece h ASP 292 Ca 0.15 -0.17 -0.00 0.00 -0.62 0.00 0.00 57.03 56.39 1ece h ASP 292 Cb 0.20 -0.13 0.00 0.00 0.18 0.00 0.00 39.33 39.57 1ece h ASP 292 CO -0.01 0.74 -0.01 1.56 -3.12 0.00 0.00 179.24 178.40 1ece h GLN 293 N 0.44 -0.04 -0.49 3.56 4.20 -1.17 0.45 115.11 122.07 1ece h GLN 293 Ca 0.06 0.00 -0.03 0.00 0.06 0.00 0.00 58.65 58.75 1ece h GLN 293 Cb 0.67 0.01 -0.02 0.00 0.30 0.00 0.00 27.48 28.43 1ece h GLN 293 CO 0.05 0.20 0.19 1.15 -0.67 0.00 0.00 178.83 179.75 1ece h THR 294 N -0.27 1.18 -0.15 -0.54 2.02 -1.04 -1.73 112.91 112.39 1ece h THR 294 Ca -0.00 -0.59 -0.02 0.00 0.77 0.00 0.00 66.41 66.58 1ece h THR 294 Cb 0.25 0.61 -0.01 0.00 -1.74 0.00 0.00 68.15 67.27 1ece h THR 294 CO 0.01 0.23 0.03 -0.25 0.37 0.00 0.00 175.52 175.91 1ece h TRP 295 N 0.70 0.25 -0.61 3.16 7.01 -0.53 -1.16 115.95 124.76 1ece h TRP 295 Ca 0.17 -0.03 -0.08 0.00 2.11 0.00 0.00 58.89 61.06 1ece h TRP 295 Cb 0.15 -0.07 -0.02 0.00 -2.10 0.00 0.00 29.16 27.12 1ece h TRP 295 CO 0.01 0.39 0.09 1.25 -2.79 0.00 0.00 178.44 177.39 1ece h LEU 296 N 0.04 0.99 -0.51 0.65 5.85 -0.60 -0.73 115.31 120.99 1ece h LEU 296 Ca 0.05 -0.27 -0.02 0.00 0.84 0.00 0.00 57.88 58.48 1ece h LEU 296 Cb 0.27 -0.26 -0.02 0.00 0.37 0.00 0.00 40.66 41.01 1ece h LEU 296 CO 0.00 1.01 0.24 0.50 -0.34 0.00 0.00 178.44 179.85 1ece h LYS 297 N 0.93 0.74 -0.20 1.25 3.64 -1.29 -1.66 116.57 119.99 1ece h LYS 297 Ca 0.19 -0.11 -0.03 0.00 -1.27 0.00 0.00 60.65 59.43 1ece h LYS 297 Cb 0.45 -0.13 -0.01 0.00 -0.41 0.00 0.00 32.23 32.13 1ece h LYS 297 CO 0.01 0.62 0.02 1.15 -2.27 0.00 0.00 179.45 178.99 1ece h THR 298 N 0.68 1.23 -0.25 1.00 2.02 -0.90 -3.18 112.91 113.52 1ece h THR 298 Ca 0.18 -0.78 0.01 0.00 0.77 0.00 0.00 66.41 66.59 1ece h THR 298 Cb 0.13 1.37 -0.02 0.00 -1.74 0.00 0.00 68.15 67.89 1ece h THR 298 CO -0.02 0.24 0.14 0.25 0.37 0.00 0.00 175.52 176.50 1ece h LEU 299 N 0.12 0.23 -1.26 2.58 5.85 -0.97 -1.98 115.31 119.86 1ece h LEU 299 Ca 0.06 0.00 0.15 0.00 0.84 0.00 0.00 57.88 58.93 1ece h LEU 299 Cb 0.34 -0.04 -0.07 0.00 0.37 0.00 0.00 40.66 41.25 1ece h LEU 299 CO 0.01 0.17 0.58 0.58 -0.34 0.00 0.00 178.44 179.43 1ece h VAL 300 N 0.29 0.83 -0.29 1.05 2.07 -1.36 0.89 116.25 119.73 1ece h VAL 300 Ca 0.10 -0.24 -0.16 0.00 0.82 0.00 0.00 66.70 67.21 1ece h VAL 300 Cb 0.00 0.06 -0.00 0.00 -1.52 0.00 0.00 31.29 29.83 1ece h VAL 300 CO -0.05 0.13 -0.46 1.56 0.02 0.00 0.00 177.57 178.77 1ece h GLN 301 N 0.71 0.82 -0.10 1.57 1.08 -1.45 -2.99 115.11 114.75 1ece h GLN 301 Ca 0.46 -0.49 -0.03 0.00 -1.45 0.00 0.00 58.65 57.13 1ece h GLN 301 Cb 0.73 0.05 -0.01 0.00 -0.05 0.00 0.00 27.48 28.20 1ece h GLN 301 CO -0.22 1.13 -0.09 -0.92 -0.95 0.00 0.00 178.83 177.78 1ece h TYR 302 N 0.58 0.14 0.00 2.96 3.20 -0.25 -1.73 116.97 121.87 1ece h TYR 302 Ca 0.02 -0.01 0.00 0.00 3.14 0.00 0.00 58.73 61.88 1ece h TYR 302 Cb 1.06 -0.04 0.00 0.00 1.54 0.00 0.00 36.73 39.29 1ece h TYR 302 CO 0.08 0.24 0.00 1.28 -1.64 0.00 0.00 178.16 178.11 1ece n LEU 303 N -4.35 0.00 -1.71 2.82 4.77 0.10 -4.93 117.00 113.70 1ece n LEU 303 Ca -0.01 0.38 -0.01 0.00 -0.03 0.00 0.00 56.01 56.34 1ece n LEU 303 Cb 0.21 -0.38 -0.01 0.00 -2.33 0.00 0.00 43.42 40.91 1ece n LEU 303 CO 0.36 -0.15 -0.19 0.54 -1.33 0.00 0.00 177.39 176.62 1ece n ARG 304 N -1.38 -1.45 -1.71 3.23 1.74 -0.65 -2.83 116.66 113.60 1ece n ARG 304 Ca 0.07 1.43 -0.42 0.00 -0.77 0.00 0.00 57.85 58.15 1ece n ARG 304 Cb 0.17 -2.11 -0.01 0.00 -1.02 0.00 0.00 32.46 29.50 1ece n ARG 304 CO 0.00 0.00 0.00 -2.30 -1.52 0.00 0.00 177.63 173.81 1ece n PRO 305 N 0.53 2.23 -0.37 5.56 -0.02 -1.26 -4.77 135.00 136.89 1ece n PRO 305 Ca -0.10 0.78 0.00 0.00 -2.02 0.00 0.00 63.50 62.17 1ece n PRO 305 Cb 0.15 -2.40 0.14 0.00 -0.02 0.00 0.00 33.50 31.37 1ece n PRO 305 CO 0.00 0.00 0.00 1.15 1.98 0.00 0.00 175.50 178.63 1ece h THR 306 N 2.64 1.17 -0.76 3.45 2.02 -1.50 -1.73 112.91 118.21 1ece h THR 306 Ca -0.47 -0.44 0.13 0.00 0.77 0.00 0.00 66.41 66.41 1ece h THR 306 Cb 1.27 -0.21 -0.05 0.00 -1.74 0.00 0.00 68.15 67.42 1ece h THR 306 CO 0.63 0.23 0.50 0.00 0.37 0.00 0.00 175.52 177.26 1ece h ALA 307 N 1.41 2.00 0.04 6.16 0.00 -1.92 0.42 119.26 127.37 1ece h ALA 307 Ca 0.40 -0.00 -0.36 0.00 0.00 0.00 0.00 54.91 54.95 1ece h ALA 307 Cb 0.00 -0.09 -0.05 0.00 0.00 0.00 0.00 17.79 17.66 1ece h ALA 307 CO -0.13 -0.19 -2.12 1.04 0.00 0.00 0.00 179.25 177.85 1ece n GLN 308 N -4.49 0.69 0.00 0.00 3.00 -1.03 -4.71 117.38 110.84 1ece n GLN 308 Ca 0.14 0.20 0.01 0.00 -0.01 0.00 0.00 57.00 57.33 1ece n GLN 308 Cb 0.46 -1.65 0.00 0.00 0.00 0.00 0.00 30.24 29.06 1ece n GLN 308 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.06 177.72 1ece n TYR 309 N -3.20 0.00 -0.11 1.08 4.01 -0.68 -5.08 117.16 113.18 1ece n TYR 309 Ca -0.32 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.42 1ece n TYR 309 Cb 1.05 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 40.08 1ece n TYR 309 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1ece n GLY 310 N 0.36 3.23 0.37 2.72 0.00 0.14 -1.39 105.19 110.62 1ece n GLY 310 Ca 0.01 -0.07 0.10 0.00 0.00 0.00 0.00 46.02 46.06 1ece n GLY 310 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ece n ALA 311 N 10.19 2.54 -2.40 4.61 0.00 -1.26 -4.22 120.51 129.97 1ece n ALA 311 Ca 0.00 -0.39 -0.41 0.00 0.00 0.00 0.00 53.44 52.64 1ece n ALA 311 Cb 0.00 -1.15 0.01 0.00 0.00 0.00 0.00 19.45 18.31 1ece n ALA 311 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 1ece n ASP 312 N -0.04 7.41 -2.31 0.00 2.03 -0.49 -4.70 116.55 118.46 1ece n ASP 312 Ca 0.15 -3.42 -0.09 0.00 0.52 0.00 0.00 54.79 51.95 1ece n ASP 312 Cb 0.24 -1.27 -0.02 0.00 -0.72 0.00 0.00 41.12 39.35 1ece n ASP 312 CO 0.00 0.00 0.00 -1.54 -1.92 0.00 0.00 177.20 173.74 1ece n SER 313 N 0.99 -0.98 -4.78 1.67 3.41 -1.26 -4.88 113.62 107.80 1ece n SER 313 Ca 0.51 -2.24 -0.37 0.00 -0.26 0.00 0.00 58.87 56.51 1ece n SER 313 Cb 0.27 1.79 -0.06 0.00 -0.26 0.00 0.00 64.21 65.95 1ece n SER 313 CO 0.00 0.00 0.00 -0.36 -0.16 0.00 0.00 175.04 174.52 1ece s PHE 314 N -3.72 3.56 0.38 7.33 0.08 -1.13 -4.85 117.98 119.63 1ece s PHE 314 Ca 0.18 1.74 -0.17 0.00 0.12 0.00 0.00 56.93 58.80 1ece s PHE 314 Cb -0.01 -2.99 -0.09 0.00 -0.57 0.00 0.00 43.02 39.35 1ece s PHE 314 CO 0.13 -0.06 0.83 -0.65 -0.10 0.00 0.00 175.22 175.37 1ece s GLN 315 N -2.17 4.05 -0.04 0.44 -1.52 -0.73 -4.90 119.66 114.78 1ece s GLN 315 Ca 0.52 0.81 -0.23 0.00 -1.95 0.00 0.00 55.36 54.52 1ece s GLN 315 Cb -0.20 -2.32 0.05 0.00 -0.22 0.00 0.00 33.01 30.31 1ece s GLN 315 CO 0.25 0.05 0.50 1.67 -0.25 0.00 0.00 175.29 177.50 1ece s TRP 316 N -2.13 -0.43 -0.07 0.91 1.48 -0.37 -0.77 118.94 117.56 1ece s TRP 316 Ca 0.57 0.74 -0.03 0.00 -1.06 0.00 0.00 56.10 56.32 1ece s TRP 316 Cb -0.10 0.25 0.04 0.00 -1.16 0.00 0.00 33.47 32.50 1ece s TRP 316 CO 0.18 -0.49 0.13 0.95 -4.06 0.00 0.00 176.95 173.67 1ece s THR 317 N -1.17 -0.19 0.54 0.66 -4.23 -0.93 -1.09 115.64 109.23 1ece s THR 317 Ca -0.12 0.33 -0.17 0.00 -1.18 0.00 0.00 61.69 60.56 1ece s THR 317 Cb -0.03 -0.25 -0.07 0.00 1.34 0.00 0.00 72.50 73.50 1ece s THR 317 CO 0.07 0.14 1.01 0.12 -0.54 0.00 0.00 174.62 175.42 1ece s PHE 318 N 2.02 3.25 -0.21 3.99 5.36 -0.34 -3.46 117.98 128.59 1ece s PHE 318 Ca 0.01 1.50 0.02 0.00 -0.96 0.00 0.00 56.93 57.49 1ece s PHE 318 Cb -0.12 -2.89 0.04 0.00 -0.34 0.00 0.00 43.02 39.71 1ece s PHE 318 CO -0.05 -0.65 -0.13 -0.46 -1.46 0.00 0.00 175.22 172.46 1ece s TRP 319 N -2.50 2.76 0.32 10.12 -0.11 0.23 -0.68 118.94 129.07 1ece s TRP 319 Ca 0.61 -1.82 -0.03 0.00 1.22 0.00 0.00 56.10 56.08 1ece s TRP 319 Cb -0.12 -1.80 -0.01 0.00 -1.50 0.00 0.00 33.47 30.04 1ece s TRP 319 CO 0.32 -0.80 0.42 -1.54 -4.62 0.00 0.00 176.95 170.73 1ece s SER 320 N 1.28 0.77 -0.01 5.86 1.04 -1.25 -4.07 113.70 117.33 1ece s SER 320 Ca -0.02 -1.43 -0.25 0.00 0.48 0.00 0.00 55.95 54.73 1ece s SER 320 Cb -0.16 0.62 -0.19 0.00 0.10 0.00 0.00 66.02 66.38 1ece s SER 320 CO -0.09 -1.21 1.30 -0.25 0.98 0.00 0.00 173.24 173.98 1ece h TRP 321 N 2.18 -0.06 -3.12 5.02 2.91 -1.20 -1.70 115.95 119.98 1ece h TRP 321 Ca -0.28 -0.00 -0.57 0.00 1.13 0.00 0.00 58.89 59.16 1ece h TRP 321 Cb 1.24 0.02 0.11 0.00 -0.51 0.00 0.00 29.16 30.02 1ece h TRP 321 CO 1.25 0.35 0.49 0.09 -1.03 0.00 0.00 178.44 179.59 1ece n ASN 322 N -4.92 2.63 0.11 2.65 4.13 -1.26 -2.23 115.26 116.36 1ece n ASN 322 Ca -0.08 1.19 0.02 0.00 1.68 0.00 0.00 54.58 57.39 1ece n ASN 322 Cb 0.23 -1.46 -0.01 0.00 -1.54 0.00 0.00 39.78 37.00 1ece n ASN 322 CO 0.00 0.00 0.00 1.55 0.28 0.00 0.00 177.26 179.09 1ece h PRO 323 N 2.79 0.00 -2.27 3.52 0.13 -1.83 -3.26 132.00 131.09 1ece h PRO 323 Ca -0.45 0.00 -0.25 0.00 -0.87 0.00 0.00 66.00 64.43 1ece h PRO 323 Cb 1.29 0.00 -0.05 0.00 0.13 0.00 0.00 31.00 32.37 1ece h PRO 323 CO 0.65 0.41 0.36 -0.40 -0.23 0.00 0.00 178.00 178.78 1ece n ASP 324 N -3.10 5.29 -3.92 1.44 5.75 -1.26 -4.40 116.55 116.36 1ece n ASP 324 Ca -0.01 -2.41 -0.30 0.00 -0.01 0.00 0.00 54.79 52.05 1ece n ASP 324 Cb 0.75 -1.31 -0.15 0.00 -1.03 0.00 0.00 41.12 39.38 1ece n ASP 324 CO 0.00 0.00 0.00 -0.55 -0.11 0.00 0.00 177.20 176.54 1ece s SER 325 N 2.15 4.17 0.03 -1.12 0.15 -1.26 -5.05 113.70 112.76 1ece s SER 325 Ca 0.61 -1.57 -0.05 0.00 0.70 0.00 0.00 55.95 55.64 1ece s SER 325 Cb 0.27 -1.24 -0.01 0.00 -1.71 0.00 0.00 66.02 63.33 1ece s SER 325 CO -0.01 -0.32 0.57 0.61 1.20 0.00 0.00 173.24 175.29 1ece n GLY 326 N 4.59 -1.41 1.59 9.45 0.00 -1.26 -0.84 105.19 117.31 1ece n GLY 326 Ca -0.05 0.38 0.06 0.00 0.00 0.00 0.00 46.02 46.41 1ece n GLY 326 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1ece n ASP 327 N -3.21 5.07 0.00 1.61 5.68 -1.26 -4.49 116.55 119.95 1ece n ASP 327 Ca 0.00 -3.00 0.00 0.00 -0.50 0.00 0.00 54.79 51.29 1ece n ASP 327 Cb 0.04 -0.65 0.00 0.00 -1.14 0.00 0.00 41.12 39.37 1ece n ASP 327 CO 0.00 0.00 0.00 0.35 -1.33 0.00 0.00 177.20 176.22 1ece n THR 328 N 0.18 0.00 -4.20 2.12 -2.24 -1.05 -4.20 114.28 104.89 1ece n THR 328 Ca 0.27 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 62.05 1ece n THR 328 Cb 1.12 -0.23 0.00 0.00 -2.10 0.00 0.00 70.33 69.12 1ece n THR 328 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1ece n GLY 329 N 1.87 -0.50 0.00 3.38 0.00 -0.02 -2.90 105.19 107.02 1ece n GLY 329 Ca 0.00 -1.10 0.00 0.00 0.00 0.00 0.00 46.02 44.92 1ece n GLY 329 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ece n GLY 330 N 0.00 2.34 0.14 -0.02 0.00 -1.23 -3.89 105.19 102.53 1ece n GLY 330 Ca 0.00 -0.91 -0.23 0.00 0.00 0.00 0.00 46.02 44.87 1ece n GLY 330 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 1ece h ILE 331 N 0.63 1.15 -3.84 -0.61 1.08 -1.03 -3.45 117.51 111.43 1ece h ILE 331 Ca 0.00 -2.58 -0.48 0.00 -0.39 0.00 0.00 64.86 61.41 1ece h ILE 331 Cb 0.00 2.93 -0.01 0.00 -3.07 0.00 0.00 36.82 36.66 1ece h ILE 331 CO 0.00 0.81 0.18 -0.76 -0.69 0.00 0.00 178.15 177.69 1ece s LEU 332 N -7.52 3.92 0.00 1.44 1.43 -0.95 0.34 118.68 117.34 1ece s LEU 332 Ca -0.13 1.35 -0.03 0.00 -1.03 0.00 0.00 54.13 54.28 1ece s LEU 332 Cb 0.04 -4.20 0.15 0.00 0.03 0.00 0.00 46.19 42.21 1ece s LEU 332 CO 0.88 -0.34 0.99 0.29 0.23 0.00 0.00 176.35 178.40 1ece n LYS 333 N -0.84 -0.29 0.32 1.70 5.02 0.68 -4.14 118.16 120.61 1ece n LYS 333 Ca 0.04 -2.38 0.13 0.00 -2.02 0.00 0.00 58.31 54.09 1ece n LYS 333 Cb 0.54 -0.75 0.70 0.00 -0.02 0.00 0.00 35.03 35.50 1ece n LYS 333 CO 0.00 0.00 0.00 -0.44 -0.52 0.00 0.00 177.40 176.44 1ece h ASP 334 N -0.77 0.00 -0.07 4.39 3.32 -1.92 0.12 116.42 121.48 1ece h ASP 334 Ca -0.32 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.73 1ece h ASP 334 Cb 1.12 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.67 1ece h ASP 334 CO 0.32 0.00 0.00 -0.90 -1.72 0.00 0.00 179.24 176.94 1ece n ASP 335 N -2.87 1.37 -3.12 6.45 5.68 -1.26 -4.93 116.55 117.88 1ece n ASP 335 Ca -0.01 -1.54 -0.23 0.00 -0.50 0.00 0.00 54.79 52.51 1ece n ASP 335 Cb 0.48 -0.04 0.03 0.00 -1.14 0.00 0.00 41.12 40.45 1ece n ASP 335 CO 0.00 0.00 0.00 0.79 -1.33 0.00 0.00 177.20 176.66 1ece n TRP 336 N 0.09 -1.97 0.04 2.11 7.02 0.41 -4.72 117.44 120.42 1ece n TRP 336 Ca 0.18 0.53 0.00 0.00 -1.02 0.00 0.00 57.50 57.19 1ece n TRP 336 Cb 0.31 -4.20 0.00 0.00 -2.42 0.00 0.00 31.31 25.01 1ece n TRP 336 CO 0.00 0.00 0.00 0.94 -2.02 0.00 0.00 177.69 176.61 1ece n GLN 337 N -4.02 0.00 -2.26 -0.99 -0.06 -1.26 -4.88 117.38 103.91 1ece n GLN 337 Ca -0.09 0.00 -0.41 0.00 -2.00 0.00 0.00 57.00 54.50 1ece n GLN 337 Cb 0.60 0.00 -0.03 0.00 -4.06 0.00 0.00 30.24 26.75 1ece n GLN 337 CO 0.00 0.00 0.00 0.99 -0.20 0.00 0.00 177.06 177.85 1ece s THR 338 N -2.00 3.21 0.14 1.69 2.01 -1.26 -4.86 115.64 114.57 1ece s THR 338 Ca 0.00 1.06 -0.14 0.00 0.31 0.00 0.00 61.69 62.92 1ece s THR 338 Cb 0.00 -3.68 -0.07 0.00 0.01 0.00 0.00 72.50 68.76 1ece s THR 338 CO 0.00 0.19 0.55 -0.69 -0.69 0.00 0.00 174.62 173.98 1ece s VAL 339 N -0.32 4.86 -1.19 3.82 1.01 -1.26 -0.23 120.40 127.08 1ece s VAL 339 Ca 0.53 0.83 -0.16 0.00 0.00 0.00 0.00 61.98 63.18 1ece s VAL 339 Cb -0.36 -3.74 0.14 0.00 0.00 0.00 0.00 36.38 32.43 1ece s VAL 339 CO 0.41 0.25 1.47 -0.62 0.00 0.00 0.00 175.10 176.61 1ece s ASP 340 N -1.71 6.96 0.49 3.32 -1.08 0.15 -4.80 116.67 119.99 1ece s ASP 340 Ca 0.38 -2.72 0.23 0.00 -0.52 0.00 0.00 52.55 49.91 1ece s ASP 340 Cb -0.15 -2.44 1.27 0.00 -1.46 0.00 0.00 42.92 40.14 1ece s ASP 340 CO 0.19 -0.90 1.94 0.71 0.52 0.00 0.00 175.17 177.63 1ece h THR 341 N 5.06 0.71 -0.11 1.71 1.35 -1.94 0.29 112.91 119.98 1ece h THR 341 Ca 0.32 -0.06 -0.04 0.00 -0.55 0.00 0.00 66.41 66.08 1ece h THR 341 Cb 0.89 0.53 -0.00 0.00 -1.73 0.00 0.00 68.15 67.84 1ece h THR 341 CO 1.28 0.03 -0.10 0.58 -0.25 0.00 0.00 175.52 177.06 1ece h VAL 342 N 0.17 1.36 -0.39 6.82 2.07 -1.98 0.95 116.25 125.25 1ece h VAL 342 Ca 0.34 -1.26 -0.13 0.00 0.82 0.00 0.00 66.70 66.48 1ece h VAL 342 Cb 1.11 1.95 -0.01 0.00 -1.52 0.00 0.00 31.29 32.82 1ece h VAL 342 CO -0.06 0.36 -0.25 0.50 0.02 0.00 0.00 177.57 178.14 1ece h LYS 343 N -0.14 0.85 -0.00 1.57 3.64 -1.76 -2.18 116.57 118.55 1ece h LYS 343 Ca 0.02 -0.40 -0.02 0.00 -1.27 0.00 0.00 60.65 58.98 1ece h LYS 343 Cb 0.62 -0.01 -0.00 0.00 -0.41 0.00 0.00 32.23 32.43 1ece h LYS 343 CO 0.03 1.04 -0.10 0.22 -2.27 0.00 0.00 179.45 178.37 1ece h ASP 344 N 0.66 0.00 -0.71 4.20 3.58 -0.96 -2.50 116.42 120.69 1ece h ASP 344 Ca 0.08 -0.00 -0.04 0.00 0.42 0.00 0.00 57.03 57.49 1ece h ASP 344 Cb 0.82 -0.00 -0.03 0.00 1.72 0.00 0.00 39.33 41.84 1ece h ASP 344 CO 0.07 0.10 0.29 1.23 -2.88 0.00 0.00 179.24 178.05 1ece h GLY 345 N 0.30 1.16 1.63 -0.78 0.00 -0.14 -2.67 103.07 102.57 1ece h GLY 345 Ca -0.00 -0.62 0.05 0.00 0.00 0.00 0.00 47.33 46.77 1ece h GLY 345 CO 0.01 0.58 0.13 -0.97 0.00 0.00 0.00 176.54 176.30 1ece h TYR 346 N 1.05 0.00 -0.01 5.60 -1.99 -1.29 -2.71 116.97 117.63 1ece h TYR 346 Ca 0.24 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.97 1ece h TYR 346 Cb 0.20 0.00 0.00 0.00 2.00 0.00 0.00 36.73 38.93 1ece h TYR 346 CO 0.02 0.00 -0.20 1.28 -0.00 0.00 0.00 178.16 179.26 1ece n LEU 347 N -4.43 1.06 -0.31 3.88 4.77 -1.01 -4.44 117.00 116.52 1ece n LEU 347 Ca 0.01 -0.28 0.07 0.00 -0.03 0.00 0.00 56.01 55.78 1ece n LEU 347 Cb 0.27 -0.11 0.22 0.00 -2.33 0.00 0.00 43.42 41.47 1ece n LEU 347 CO 0.34 0.19 1.14 0.00 -1.33 0.00 0.00 177.39 177.74 1ece h ALA 348 N 3.79 1.33 0.00 -1.18 0.00 -1.55 -2.03 119.26 119.62 1ece h ALA 348 Ca 0.00 0.06 -0.00 0.00 0.00 0.00 0.00 54.91 54.97 1ece h ALA 348 Cb 0.49 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.19 1ece h ALA 348 CO 0.00 0.02 -0.01 -1.35 0.00 0.00 0.00 179.25 177.91 1ece h PRO 349 N 0.74 0.00 -0.34 0.00 0.11 -1.83 -2.97 132.00 127.72 1ece h PRO 349 Ca 0.46 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.57 1ece h PRO 349 Cb 0.57 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.68 1ece h PRO 349 CO -0.32 0.01 0.00 0.44 -0.21 0.00 0.00 178.00 177.92 1ece n ILE 350 N -3.58 0.73 -2.28 4.15 -5.35 -0.77 -1.42 119.36 110.85 1ece n ILE 350 Ca -0.03 -0.87 -0.33 0.00 -0.27 0.00 0.00 62.75 61.26 1ece n ILE 350 Cb 0.09 0.72 -0.01 0.00 -1.74 0.00 0.00 39.64 38.69 1ece n ILE 350 CO 0.00 0.00 0.00 -0.54 -1.76 0.00 0.00 176.55 174.25 1ece s LYS 351 N -1.06 3.62 0.00 6.28 1.02 -1.12 -4.75 119.74 123.72 1ece s LYS 351 Ca 0.27 1.18 0.00 0.00 0.02 0.00 0.00 55.97 57.44 1ece s LYS 351 Cb 0.15 -2.08 0.00 0.00 -0.52 0.00 0.00 37.83 35.38 1ece s LYS 351 CO 0.20 -0.56 0.00 0.45 -0.92 0.00 0.00 175.35 174.52 1ece n SER 352 N -1.62 0.76 -4.88 2.83 2.88 -1.26 -4.68 113.62 107.65 1ece n SER 352 Ca 0.08 0.00 -0.24 0.00 -1.33 0.00 0.00 58.87 57.39 1ece n SER 352 Cb 0.53 0.00 -0.04 0.00 -0.75 0.00 0.00 64.21 63.95 1ece n SER 352 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 1ece s SER 353 N 0.82 5.88 0.35 -3.46 1.04 -1.26 -4.94 113.70 112.13 1ece s SER 353 Ca 0.00 -0.06 -0.27 0.00 0.48 0.00 0.00 55.95 56.10 1ece s SER 353 Cb 0.00 -1.63 -0.09 0.00 0.10 0.00 0.00 66.02 64.40 1ece s SER 353 CO 0.00 -0.00 1.14 -0.63 0.98 0.00 0.00 173.24 174.73 1ece s ILE 354 N -1.92 3.30 0.90 -1.02 -1.09 -1.26 -4.78 121.20 115.32 1ece s ILE 354 Ca 0.33 1.18 -0.12 0.00 -2.23 0.00 0.00 60.65 59.81 1ece s ILE 354 Cb -0.09 -3.70 0.18 0.00 -1.58 0.00 0.00 42.46 37.27 1ece s ILE 354 CO 0.26 0.19 1.24 -0.36 -1.23 0.00 0.00 174.94 175.04 1ece s PHE 355 N -1.32 1.57 0.40 3.97 0.08 -0.87 -4.58 117.98 117.24 1ece s PHE 355 Ca 0.51 0.15 -0.23 0.00 0.12 0.00 0.00 56.93 57.49 1ece s PHE 355 Cb -0.31 -3.82 -0.10 0.00 -0.57 0.00 0.00 43.02 38.22 1ece s PHE 355 CO 0.40 -2.41 0.98 -0.51 -0.10 0.00 0.00 175.22 173.58 1ece s ASP 356 N -4.86 6.92 1.08 1.36 1.01 -0.64 -4.49 116.67 117.05 1ece s ASP 356 Ca 0.72 1.84 -0.14 0.00 0.71 0.00 0.00 52.55 55.68 1ece s ASP 356 Cb -0.04 -2.56 0.17 0.00 1.01 0.00 0.00 42.92 41.49 1ece s ASP 356 CO 0.51 -0.37 0.64 -2.65 0.21 0.00 0.00 175.17 173.50 1ece n PRO 357 N -0.24 -1.50 0.00 8.23 -0.02 -1.26 -4.51 135.00 135.70 1ece n PRO 357 Ca 0.06 -0.40 0.00 0.00 -2.02 0.00 0.00 63.50 61.13 1ece n PRO 357 Cb 0.52 -2.01 0.00 0.00 -0.02 0.00 0.00 33.50 31.98 1ece n PRO 357 CO 0.00 0.00 0.00 0.28 1.98 0.00 0.00 175.50 177.76