#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2eak s ALA 8 N 0.00 3.42 0.45 1.69 0.00 -1.26 -3.70 121.76 122.36 2eak s ALA 8 Ca 0.00 1.17 -0.21 0.00 0.00 0.00 0.00 51.96 52.92 2eak s ALA 8 Cb 0.00 -3.88 -0.09 0.00 0.00 0.00 0.00 23.12 19.15 2eak s ALA 8 CO 0.00 -1.80 1.02 -1.25 0.00 0.00 0.00 175.76 173.73 2eak s PRO 9 N 4.79 3.98 -0.27 0.00 0.04 -1.26 -4.79 135.00 137.48 2eak s PRO 9 Ca 0.89 1.34 -0.22 0.00 0.04 0.00 0.00 61.00 63.05 2eak s PRO 9 Cb -0.40 -2.21 -0.01 0.00 0.04 0.00 0.00 34.50 31.92 2eak s PRO 9 CO 0.39 -0.28 0.73 0.71 0.04 0.00 0.00 177.00 178.59 2eak s TYR 10 N -1.95 3.26 -0.18 0.56 2.02 0.67 -4.94 117.35 116.79 2eak s TYR 10 Ca 0.64 0.88 -0.09 0.00 -0.37 0.00 0.00 57.07 58.13 2eak s TYR 10 Cb -0.16 -3.02 -0.05 0.00 -0.40 0.00 0.00 41.96 38.33 2eak s TYR 10 CO 0.20 -0.43 0.13 -0.51 -1.57 0.00 0.00 175.55 173.37 2eak s LEU 11 N 2.74 4.23 -1.54 -1.29 1.43 -1.26 -0.59 118.68 122.40 2eak s LEU 11 Ca 0.30 0.28 -0.02 0.00 -1.03 0.00 0.00 54.13 53.66 2eak s LEU 11 Cb -0.15 -2.08 0.02 0.00 0.03 0.00 0.00 46.19 44.01 2eak s LEU 11 CO 0.10 0.24 0.18 -1.20 0.23 0.00 0.00 176.35 175.89 2eak n SER 12 N 3.14 0.29 -4.74 2.29 7.64 0.11 -4.87 113.62 117.47 2eak n SER 12 Ca -0.17 -1.20 -0.41 0.00 1.01 0.00 0.00 58.87 58.10 2eak n SER 12 Cb 0.53 -2.01 -0.03 0.00 -1.01 0.00 0.00 64.21 61.68 2eak n SER 12 CO 0.00 0.00 0.00 -2.16 -3.01 0.00 0.00 175.04 169.87 2eak s PRO 13 N -7.15 4.47 0.38 1.43 0.04 -1.26 -4.97 135.00 127.94 2eak s PRO 13 Ca 0.09 1.93 -0.26 0.00 0.04 0.00 0.00 61.00 62.79 2eak s PRO 13 Cb -0.05 -3.22 -0.09 0.00 0.04 0.00 0.00 34.50 31.18 2eak s PRO 13 CO 0.97 -0.12 1.25 0.00 0.04 0.00 0.00 177.00 179.14 2eak s ALA 14 N -0.13 3.28 -0.02 8.56 0.00 -1.26 -4.32 121.76 127.86 2eak s ALA 14 Ca 0.53 1.14 0.02 0.00 0.00 0.00 0.00 51.96 53.64 2eak s ALA 14 Cb -0.34 -3.44 -0.03 0.00 0.00 0.00 0.00 23.12 19.31 2eak s ALA 14 CO 0.38 -0.66 -0.04 0.14 0.00 0.00 0.00 175.76 175.58 2eak s VAL 15 N -1.28 3.89 0.34 0.00 -7.23 -1.26 -3.20 120.40 111.66 2eak s VAL 15 Ca 0.55 -0.59 -0.29 0.00 -1.81 0.00 0.00 61.98 59.83 2eak s VAL 15 Cb -0.36 -2.68 -0.11 0.00 0.56 0.00 0.00 36.38 33.80 2eak s VAL 15 CO 0.46 0.46 1.51 -2.16 -0.31 0.00 0.00 175.10 175.06 2eak s PRO 16 N -1.26 4.14 -0.02 4.82 0.04 -1.26 -5.00 135.00 136.46 2eak s PRO 16 Ca 0.16 2.53 0.07 0.00 0.04 0.00 0.00 61.00 63.81 2eak s PRO 16 Cb -0.11 -3.00 -0.02 0.00 0.04 0.00 0.00 34.50 31.41 2eak s PRO 16 CO 0.06 -0.53 -0.25 0.12 0.04 0.00 0.00 177.00 176.44 2eak s PHE 17 N -0.68 2.21 -0.03 0.56 2.19 0.98 -4.98 117.98 118.24 2eak s PHE 17 Ca 0.56 -0.43 0.02 0.00 0.33 0.00 0.00 56.93 57.41 2eak s PHE 17 Cb -0.46 -1.43 0.01 0.00 -1.31 0.00 0.00 43.02 39.83 2eak s PHE 17 CO 0.56 -0.05 -0.08 -1.12 1.83 0.00 0.00 175.22 176.37 2eak s SER 18 N -0.55 1.10 -0.06 6.13 0.01 -1.26 -0.35 113.70 118.72 2eak s SER 18 Ca 0.09 -0.17 -0.10 0.00 1.31 0.00 0.00 55.95 57.08 2eak s SER 18 Cb -0.10 -0.37 0.02 0.00 0.21 0.00 0.00 66.02 65.79 2eak s SER 18 CO -0.01 0.03 0.25 -0.83 0.41 0.00 0.00 173.24 173.10 2eak s GLY 19 N 0.40 -0.14 0.22 3.44 0.00 0.13 -5.00 107.32 106.36 2eak s GLY 19 Ca -0.06 0.47 -0.30 0.00 0.00 0.00 0.00 44.72 44.83 2eak s GLY 19 CO 0.01 0.33 1.21 -1.59 0.00 0.00 0.00 173.10 173.06 2eak s THR 20 N -0.56 3.41 -0.08 0.90 2.01 -1.26 -0.71 115.64 119.34 2eak s THR 20 Ca -0.07 1.23 -0.20 0.00 0.31 0.00 0.00 61.69 62.97 2eak s THR 20 Cb -0.04 -3.78 -0.04 0.00 0.01 0.00 0.00 72.50 68.64 2eak s THR 20 CO 0.02 0.22 0.55 -0.63 -0.69 0.00 0.00 174.62 174.08 2eak s ILE 21 N -0.30 5.11 -0.07 1.82 1.01 -0.76 -4.84 121.20 123.17 2eak s ILE 21 Ca 0.52 1.11 -0.28 0.00 0.00 0.00 0.00 60.65 62.00 2eak s ILE 21 Cb -0.34 -3.88 -0.02 0.00 0.01 0.00 0.00 42.46 38.22 2eak s ILE 21 CO 0.39 0.33 0.92 -1.10 0.00 0.00 0.00 174.94 175.48 2eak s GLN 22 N 0.48 4.46 0.00 2.79 1.11 -1.26 -2.74 119.66 124.50 2eak s GLN 22 Ca 0.29 1.25 0.00 0.00 0.01 0.00 0.00 55.36 56.92 2eak s GLN 22 Cb -0.16 -3.50 0.00 0.00 -1.01 0.00 0.00 33.01 28.34 2eak s GLN 22 CO 0.13 -0.15 0.00 0.41 0.01 0.00 0.00 175.29 175.69 2eak n GLY 23 N 3.08 0.64 1.27 3.09 0.00 -1.26 -4.82 105.19 107.19 2eak n GLY 23 Ca 0.05 0.00 0.17 0.00 0.00 0.00 0.00 46.02 46.24 2eak n GLY 23 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2eak n GLY 24 N -2.02 -1.94 3.67 -0.02 0.00 -1.11 -4.71 105.19 99.07 2eak n GLY 24 Ca 0.00 -1.19 -0.42 0.00 0.00 0.00 0.00 46.02 44.41 2eak n GLY 24 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2eak s LEU 25 N -6.60 4.40 0.37 0.99 1.43 -1.16 -5.01 118.68 113.10 2eak s LEU 25 Ca 0.00 2.61 0.08 0.00 -1.03 0.00 0.00 54.13 55.79 2eak s LEU 25 Cb 0.00 -3.55 -0.03 0.00 0.03 0.00 0.00 46.19 42.64 2eak s LEU 25 CO 0.00 -1.00 0.24 -1.10 0.23 0.00 0.00 176.35 174.73 2eak s GLN 26 N 3.60 2.48 0.04 1.70 -1.52 -1.26 -3.95 119.66 120.75 2eak s GLN 26 Ca 0.82 -1.52 -0.30 0.00 -1.95 0.00 0.00 55.36 52.40 2eak s GLN 26 Cb -0.42 -2.27 -0.05 0.00 -0.22 0.00 0.00 33.01 30.05 2eak s GLN 26 CO 0.37 0.00 1.17 0.34 -0.25 0.00 0.00 175.29 176.92 2eak s ASP 27 N -3.96 7.12 0.00 5.90 3.68 -1.26 -2.82 116.67 125.33 2eak s ASP 27 Ca 0.41 1.95 0.00 0.00 2.13 0.00 0.00 52.55 57.04 2eak s ASP 27 Cb -0.03 -2.58 0.00 0.00 -1.45 0.00 0.00 42.92 38.87 2eak s ASP 27 CO 0.25 -0.45 0.00 0.61 0.13 0.00 0.00 175.17 175.71 2eak n GLY 28 N 3.19 1.44 3.72 2.66 0.00 0.71 -5.03 105.19 111.88 2eak n GLY 28 Ca 0.09 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.69 2eak n GLY 28 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2eak s LEU 29 N 0.00 4.38 -0.25 0.99 0.20 -1.13 -4.79 118.68 118.09 2eak s LEU 29 Ca 0.00 2.45 -0.05 0.00 0.69 0.00 0.00 54.13 57.22 2eak s LEU 29 Cb 0.00 -3.60 -0.00 0.00 -0.43 0.00 0.00 46.19 42.16 2eak s LEU 29 CO 0.00 -0.67 0.01 -1.10 -0.29 0.00 0.00 176.35 174.30 2eak s GLN 30 N 0.69 3.31 -0.23 1.98 -0.21 -1.13 -1.65 119.66 122.41 2eak s GLN 30 Ca 0.64 -0.69 -0.06 0.00 0.02 0.00 0.00 55.36 55.27 2eak s GLN 30 Cb -0.39 -3.16 -0.02 0.00 1.00 0.00 0.00 33.01 30.43 2eak s GLN 30 CO 0.34 -0.28 0.03 0.42 -2.12 0.00 0.00 175.29 173.68 2eak s ILE 31 N 1.50 4.05 -0.18 1.08 1.09 0.13 -1.54 121.20 127.32 2eak s ILE 31 Ca 0.05 -0.26 -0.08 0.00 -1.10 0.00 0.00 60.65 59.25 2eak s ILE 31 Cb -0.15 -2.88 -0.04 0.00 -1.06 0.00 0.00 42.46 38.33 2eak s ILE 31 CO -0.01 0.37 0.09 -0.89 -0.10 0.00 0.00 174.94 174.41 2eak s THR 32 N 1.47 5.05 -0.26 2.92 2.01 0.91 0.41 115.64 128.15 2eak s THR 32 Ca 0.05 0.06 0.01 0.00 0.31 0.00 0.00 61.69 62.13 2eak s THR 32 Cb -0.15 -3.28 0.05 0.00 0.01 0.00 0.00 72.50 69.14 2eak s THR 32 CO 0.02 0.47 -0.09 -0.69 -0.69 0.00 0.00 174.62 173.64 2eak s VAL 33 N 0.18 2.39 -0.17 3.82 1.01 0.38 -1.00 120.40 127.01 2eak s VAL 33 Ca 0.06 -1.48 0.00 0.00 0.00 0.00 0.00 61.98 60.56 2eak s VAL 33 Cb -0.12 -2.36 0.01 0.00 0.00 0.00 0.00 36.38 33.91 2eak s VAL 33 CO -0.00 0.01 -0.17 0.21 0.00 0.00 0.00 175.10 175.15 2eak s ASN 34 N 1.16 3.44 0.00 3.32 2.47 -0.33 -1.05 114.94 123.95 2eak s ASN 34 Ca -0.06 -0.55 0.00 0.00 0.42 0.00 0.00 52.86 52.66 2eak s ASN 34 Cb -0.19 -1.53 0.00 0.00 -1.45 0.00 0.00 41.25 38.08 2eak s ASN 34 CO -0.05 0.04 0.00 0.61 -3.72 0.00 0.00 177.10 173.98 2eak n GLY 35 N 4.38 1.88 3.04 1.21 0.00 -0.98 0.63 105.19 115.36 2eak n GLY 35 Ca -0.20 -0.77 -0.16 0.00 0.00 0.00 0.00 46.02 44.89 2eak n GLY 35 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2eak s THR 36 N -2.61 0.66 0.06 2.61 -4.23 0.03 -0.59 115.64 111.58 2eak s THR 36 Ca 0.00 -0.70 -0.30 0.00 -1.18 0.00 0.00 61.69 59.50 2eak s THR 36 Cb 0.00 -0.62 -0.05 0.00 1.34 0.00 0.00 72.50 73.17 2eak s THR 36 CO 0.00 -0.06 1.07 -0.69 -0.54 0.00 0.00 174.62 174.40 2eak s VAL 37 N -0.71 4.38 0.51 2.29 1.01 -0.79 -1.51 120.40 125.58 2eak s VAL 37 Ca -0.02 1.79 -0.20 0.00 0.00 0.00 0.00 61.98 63.56 2eak s VAL 37 Cb -0.06 -4.15 -0.07 0.00 0.00 0.00 0.00 36.38 32.10 2eak s VAL 37 CO 0.00 0.19 1.07 -0.76 0.00 0.00 0.00 175.10 175.59 2eak s LEU 38 N 0.66 3.80 -0.33 3.92 1.43 -0.06 0.40 118.68 128.51 2eak s LEU 38 Ca 0.53 2.00 -0.01 0.00 -1.03 0.00 0.00 54.13 55.62 2eak s LEU 38 Cb -0.25 -4.57 0.13 0.00 0.03 0.00 0.00 46.19 41.53 2eak s LEU 38 CO 0.30 -0.93 0.19 -0.94 0.23 0.00 0.00 176.35 175.21 2eak s SER 39 N -1.95 3.04 -0.24 2.29 1.04 -1.26 -3.79 113.70 112.82 2eak s SER 39 Ca 0.69 -1.88 -0.27 0.00 0.48 0.00 0.00 55.95 54.97 2eak s SER 39 Cb -0.18 -0.33 0.13 0.00 0.10 0.00 0.00 66.02 65.74 2eak s SER 39 CO 0.23 -0.35 1.08 -0.94 0.98 0.00 0.00 173.24 174.24 2eak s SER 40 N 1.41 -0.36 -0.15 7.02 1.04 -1.26 -4.90 113.70 116.50 2eak s SER 40 Ca 0.15 0.59 -0.03 0.00 0.48 0.00 0.00 55.95 57.15 2eak s SER 40 Cb -0.21 0.57 0.01 0.00 0.10 0.00 0.00 66.02 66.49 2eak s SER 40 CO -0.11 -0.19 0.05 -1.20 0.98 0.00 0.00 173.24 172.77 2eak n SER 41 N 1.58 -6.03 0.00 7.02 7.64 -1.26 -5.15 113.62 117.42 2eak n SER 41 Ca -0.11 1.05 0.00 0.00 1.01 0.00 0.00 58.87 60.82 2eak n SER 41 Cb 0.57 -3.65 0.00 0.00 -1.01 0.00 0.00 64.21 60.11 2eak n SER 41 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2eak n GLY 42 N 1.37 -0.21 0.00 0.23 0.00 -1.26 -4.81 105.19 100.51 2eak n GLY 42 Ca -0.09 -0.04 0.00 0.00 0.00 0.00 0.00 46.02 45.89 2eak n GLY 42 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2eak n THR 43 N 0.00 0.29 -4.12 2.61 -2.24 -1.26 -4.90 114.28 104.65 2eak n THR 43 Ca 0.00 -0.48 -0.15 0.00 -2.27 0.00 0.00 64.05 61.16 2eak n THR 43 Cb 0.00 1.05 -0.13 0.00 -2.10 0.00 0.00 70.33 69.15 2eak n THR 43 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 2eak s ARG 44 N -0.29 0.49 0.11 -0.78 0.52 -1.26 0.32 118.95 118.07 2eak s ARG 44 Ca 0.00 -0.49 0.01 0.00 -0.52 0.00 0.00 55.73 54.73 2eak s ARG 44 Cb 0.00 -0.37 -0.04 0.00 0.52 0.00 0.00 34.95 35.06 2eak s ARG 44 CO 0.00 0.09 -0.03 -0.59 0.02 0.00 0.00 175.30 174.78 2eak s PHE 45 N -0.77 0.90 -0.06 -0.53 -0.12 -1.06 -0.75 117.98 115.59 2eak s PHE 45 Ca -0.04 -1.00 -0.06 0.00 -0.05 0.00 0.00 56.93 55.79 2eak s PHE 45 Cb -0.06 -0.53 0.02 0.00 -0.63 0.00 0.00 43.02 41.81 2eak s PHE 45 CO 0.00 -0.24 0.16 0.00 -0.05 0.00 0.00 175.22 175.09 2eak s ALA 46 N -3.73 -0.40 -0.18 1.99 0.00 -0.20 -2.78 121.76 116.46 2eak s ALA 46 Ca 0.15 0.47 -0.03 0.00 0.00 0.00 0.00 51.96 52.55 2eak s ALA 46 Cb 0.06 -0.27 -0.01 0.00 0.00 0.00 0.00 23.12 22.90 2eak s ALA 46 CO -0.03 -0.08 -0.07 0.08 0.00 0.00 0.00 175.76 175.66 2eak s VAL 47 N 0.10 3.33 -0.13 0.00 1.01 -0.10 -1.93 120.40 122.69 2eak s VAL 47 Ca -0.00 -0.53 0.02 0.00 0.00 0.00 0.00 61.98 61.47 2eak s VAL 47 Cb -0.01 -2.47 0.01 0.00 0.00 0.00 0.00 36.38 33.90 2eak s VAL 47 CO 0.00 0.47 -0.21 0.20 0.00 0.00 0.00 175.10 175.56 2eak s ASN 48 N 0.97 3.01 -0.37 3.32 0.02 0.21 -1.74 114.94 120.36 2eak s ASN 48 Ca -0.01 -0.58 -0.16 0.00 -1.02 0.00 0.00 52.86 51.10 2eak s ASN 48 Cb -0.15 -1.39 -0.00 0.00 0.02 0.00 0.00 41.25 39.73 2eak s ASN 48 CO 0.00 0.08 0.37 -0.36 0.02 0.00 0.00 177.10 177.20 2eak s PHE 49 N 0.80 3.20 0.25 2.20 0.08 0.46 -0.48 117.98 124.50 2eak s PHE 49 Ca -0.08 -0.18 -0.00 0.00 0.12 0.00 0.00 56.93 56.79 2eak s PHE 49 Cb -0.16 -2.70 -0.03 0.00 -0.57 0.00 0.00 43.02 39.56 2eak s PHE 49 CO -0.01 -0.51 0.23 1.14 -0.10 0.00 0.00 175.22 175.97 2eak s GLN 50 N 1.99 1.43 -0.43 0.44 -2.07 -0.22 -0.80 119.66 120.00 2eak s GLN 50 Ca 0.11 -1.70 -0.11 0.00 -1.82 0.00 0.00 55.36 51.84 2eak s GLN 50 Cb -0.17 0.32 0.07 0.00 -1.09 0.00 0.00 33.01 32.14 2eak s GLN 50 CO 0.12 -0.51 0.29 0.99 -1.32 0.00 0.00 175.29 174.86 2eak s THR 51 N -3.89 4.58 0.00 3.63 2.01 -0.33 -1.32 115.64 120.33 2eak s THR 51 Ca 0.37 -1.22 0.00 0.00 0.31 0.00 0.00 61.69 61.15 2eak s THR 51 Cb 0.05 -3.75 0.00 0.00 0.01 0.00 0.00 72.50 68.81 2eak s THR 51 CO 0.16 -0.49 0.00 0.61 -0.69 0.00 0.00 174.62 174.21 2eak n GLY 52 N 5.02 -0.97 0.28 4.40 0.00 -1.26 -4.58 105.19 108.08 2eak n GLY 52 Ca -0.11 -1.18 0.07 0.00 0.00 0.00 0.00 46.02 44.80 2eak n GLY 52 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 2eak n PHE 53 N -0.28 0.00 0.06 1.61 3.01 -1.26 -4.54 117.46 116.06 2eak n PHE 53 Ca 0.00 0.00 -0.07 0.00 1.01 0.00 0.00 57.45 58.39 2eak n PHE 53 Cb 0.00 0.00 0.08 0.00 -0.01 0.00 0.00 39.48 39.55 2eak n PHE 53 CO 0.00 0.00 0.00 0.66 1.01 0.00 0.00 176.76 178.43 2eak h SER 54 N 1.39 0.41 0.00 4.37 4.64 -1.98 -3.47 113.55 118.90 2eak h SER 54 Ca 0.00 -0.24 0.00 0.00 -0.47 0.00 0.00 61.79 61.08 2eak h SER 54 Cb 0.47 -0.12 0.00 0.00 -0.31 0.00 0.00 62.40 62.44 2eak h SER 54 CO 0.00 0.93 0.00 0.61 -0.87 0.00 0.00 176.83 177.50 2eak n GLY 55 N 0.33 0.57 0.17 -0.77 0.00 -1.26 -4.93 105.19 99.30 2eak n GLY 55 Ca -0.03 -0.14 0.11 0.00 0.00 0.00 0.00 46.02 45.96 2eak n GLY 55 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 2eak h ASN 56 N 0.00 0.00 -3.44 1.61 -0.26 -1.92 -3.40 115.58 108.17 2eak h ASN 56 Ca 0.00 0.00 -0.61 0.00 -0.56 0.00 0.00 56.30 55.13 2eak h ASN 56 Cb 0.00 0.00 -0.40 0.00 -1.06 0.00 0.00 38.32 36.86 2eak h ASN 56 CO 0.00 0.04 -0.74 -1.81 -1.06 0.00 0.00 177.43 173.87 2eak s ASP 57 N -5.90 4.19 -0.30 5.81 1.01 -1.26 -1.00 116.67 119.23 2eak s ASP 57 Ca 0.04 -2.04 0.02 0.00 0.71 0.00 0.00 52.55 51.27 2eak s ASP 57 Cb 0.07 -1.16 0.07 0.00 1.01 0.00 0.00 42.92 42.91 2eak s ASP 57 CO 0.72 -0.37 -0.03 -0.63 0.21 0.00 0.00 175.17 175.08 2eak s ILE 58 N 1.08 2.46 0.21 0.77 1.01 0.26 -1.18 121.20 125.80 2eak s ILE 58 Ca 0.12 -1.77 -0.09 0.00 0.00 0.00 0.00 60.65 58.91 2eak s ILE 58 Cb -0.20 -2.54 0.14 0.00 0.01 0.00 0.00 42.46 39.87 2eak s ILE 58 CO -0.14 -0.22 1.77 0.00 0.00 0.00 0.00 174.94 176.35 2eak h ALA 59 N 7.80 0.98 -3.13 9.38 0.00 -1.18 0.24 119.26 133.35 2eak h ALA 59 Ca -0.16 -0.18 -0.38 0.00 0.00 0.00 0.00 54.91 54.19 2eak h ALA 59 Cb 1.04 -0.30 -0.39 0.00 0.00 0.00 0.00 17.79 18.14 2eak h ALA 59 CO 0.51 0.60 -0.72 0.12 0.00 0.00 0.00 179.25 179.76 2eak s PHE 60 N -5.57 0.04 -0.24 0.00 5.36 -0.99 -4.47 117.98 112.11 2eak s PHE 60 Ca -0.12 0.13 -0.05 0.00 -0.96 0.00 0.00 56.93 55.92 2eak s PHE 60 Cb 0.15 -0.50 -0.01 0.00 -0.34 0.00 0.00 43.02 42.31 2eak s PHE 60 CO 0.83 -0.34 0.01 -1.58 -1.46 0.00 0.00 175.22 172.68 2eak s HIS 61 N 2.19 3.02 -0.21 10.12 5.65 -0.19 -0.40 115.29 135.46 2eak s HIS 61 Ca 0.04 -0.77 0.02 0.00 0.25 0.00 0.00 55.06 54.60 2eak s HIS 61 Cb -0.14 -2.16 0.04 0.00 -1.18 0.00 0.00 32.58 29.14 2eak s HIS 61 CO -0.06 -0.49 -0.14 0.12 -0.65 0.00 0.00 174.74 173.53 2eak s PHE 62 N 1.53 2.83 -0.44 3.88 5.36 -0.71 -1.85 117.98 128.58 2eak s PHE 62 Ca 0.06 -1.87 0.03 0.00 -0.96 0.00 0.00 56.93 54.19 2eak s PHE 62 Cb -0.15 -1.83 0.16 0.00 -0.34 0.00 0.00 43.02 40.86 2eak s PHE 62 CO -0.00 -0.81 0.33 1.21 -1.46 0.00 0.00 175.22 174.48 2eak s ASN 63 N 1.26 2.33 0.31 6.13 2.47 0.42 -0.92 114.94 126.92 2eak s ASN 63 Ca -0.02 -2.98 -0.30 0.00 0.42 0.00 0.00 52.86 49.99 2eak s ASN 63 Cb -0.16 -0.64 -0.12 0.00 -1.45 0.00 0.00 41.25 38.88 2eak s ASN 63 CO -0.09 -0.19 1.51 -2.65 -3.72 0.00 0.00 177.10 171.96 2eak n PRO 64 N 3.00 2.52 -3.83 0.43 -0.02 -1.12 -1.28 135.00 134.71 2eak n PRO 64 Ca 0.24 0.89 -0.28 0.00 -2.02 0.00 0.00 63.50 62.33 2eak n PRO 64 Cb 0.43 -2.62 -0.16 0.00 -0.02 0.00 0.00 33.50 31.13 2eak n PRO 64 CO 0.00 0.00 0.00 1.03 1.98 0.00 0.00 175.50 178.51 2eak s ARG 65 N -0.97 1.09 -1.41 -0.52 0.52 0.13 -2.57 118.95 115.22 2eak s ARG 65 Ca 0.62 -0.48 -0.09 0.00 -0.52 0.00 0.00 55.73 55.26 2eak s ARG 65 Cb -0.53 -2.01 0.06 0.00 0.52 0.00 0.00 34.95 33.00 2eak s ARG 65 CO 0.53 -0.52 2.38 1.19 0.02 0.00 0.00 175.30 178.91 2eak n PHE 66 N 4.94 2.79 -3.83 -0.53 3.72 0.15 -1.47 117.46 123.23 2eak n PHE 66 Ca -0.10 -2.91 -0.12 0.00 -0.05 0.00 0.00 57.45 54.27 2eak n PHE 66 Cb 0.47 -2.15 -0.11 0.00 -0.94 0.00 0.00 39.48 36.74 2eak n PHE 66 CO 0.00 0.00 0.00 -1.21 -0.05 0.00 0.00 176.76 175.50 2eak s GLU 67 N 0.81 0.31 -1.30 -1.08 2.02 -1.26 -4.84 118.70 113.37 2eak s GLU 67 Ca 0.53 0.03 -0.02 0.00 0.02 0.00 0.00 54.97 55.53 2eak s GLU 67 Cb 0.15 0.14 -0.00 0.00 0.10 0.00 0.00 34.13 34.52 2eak s GLU 67 CO -0.06 -0.06 0.67 -0.25 0.02 0.00 0.00 175.26 175.58 2eak n ASP 68 N 2.45 -1.61 0.00 -0.19 8.00 -1.26 -1.39 116.55 122.54 2eak n ASP 68 Ca -0.16 -0.86 0.00 0.00 0.71 0.00 0.00 54.79 54.48 2eak n ASP 68 Cb 0.58 -3.89 0.00 0.00 -0.02 0.00 0.00 41.12 37.79 2eak n ASP 68 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2eak n GLY 69 N -1.63 2.99 0.19 0.44 0.00 -1.26 -4.75 105.19 101.17 2eak n GLY 69 Ca -0.28 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.74 2eak n GLY 69 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2eak n GLY 70 N -2.00 0.02 3.21 -0.02 0.00 -0.49 -4.86 105.19 101.05 2eak n GLY 70 Ca 0.00 -0.98 -0.09 0.00 0.00 0.00 0.00 46.02 44.95 2eak n GLY 70 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 2eak s TYR 71 N 0.00 0.11 -0.11 1.61 -0.85 -0.54 -4.33 117.35 113.23 2eak s TYR 71 Ca 0.00 -0.47 0.01 0.00 -0.52 0.00 0.00 57.07 56.09 2eak s TYR 71 Cb 0.00 -0.03 -0.02 0.00 0.38 0.00 0.00 41.96 42.29 2eak s TYR 71 CO 0.00 -0.52 -0.15 0.08 -1.52 0.00 0.00 175.55 173.44 2eak s VAL 72 N -3.52 2.94 -0.18 -3.49 1.01 -0.15 0.19 120.40 117.21 2eak s VAL 72 Ca 0.02 -0.71 -0.14 0.00 0.00 0.00 0.00 61.98 61.15 2eak s VAL 72 Cb 0.03 -2.21 -0.05 0.00 0.00 0.00 0.00 36.38 34.16 2eak s VAL 72 CO -0.09 0.54 0.29 -0.69 0.00 0.00 0.00 175.10 175.14 2eak s VAL 73 N 0.17 5.30 -0.10 2.92 1.01 -0.40 -1.55 120.40 127.76 2eak s VAL 73 Ca -0.08 0.52 0.01 0.00 0.00 0.00 0.00 61.98 62.43 2eak s VAL 73 Cb -0.15 -3.63 -0.02 0.00 0.00 0.00 0.00 36.38 32.58 2eak s VAL 73 CO 0.05 0.37 -0.13 0.00 0.00 0.00 0.00 175.10 175.39 2eak s ASN 75 N -0.09 0.33 -0.01 0.00 3.84 -0.77 -1.22 114.94 117.01 2eak s ASN 75 Ca -0.02 -1.28 0.03 0.00 0.21 0.00 0.00 52.86 51.80 2eak s ASN 75 Cb -0.14 0.80 -0.00 0.00 -0.55 0.00 0.00 41.25 41.36 2eak s ASN 75 CO 0.04 -1.58 -0.09 -0.89 -2.79 0.00 0.00 177.10 171.79 2eak s THR 76 N -2.48 0.71 -0.19 -5.21 2.01 -1.26 -1.02 115.64 108.18 2eak s THR 76 Ca 0.20 -0.36 -0.04 0.00 0.31 0.00 0.00 61.69 61.80 2eak s THR 76 Cb -0.04 -0.60 -0.02 0.00 0.01 0.00 0.00 72.50 71.85 2eak s THR 76 CO 0.15 0.21 -0.04 -0.60 -0.69 0.00 0.00 174.62 173.64 2eak s ARG 77 N -0.09 3.49 -0.14 4.92 3.52 0.83 -1.99 118.95 129.49 2eak s ARG 77 Ca 0.02 -0.59 0.00 0.00 -0.13 0.00 0.00 55.73 55.03 2eak s ARG 77 Cb -0.05 -2.97 0.02 0.00 -1.56 0.00 0.00 34.95 30.39 2eak s ARG 77 CO -0.00 -0.02 -0.13 -0.65 -0.81 0.00 0.00 175.30 173.69 2eak s GLN 78 N 1.04 2.11 -1.45 5.12 -0.21 0.07 -0.57 119.66 125.77 2eak s GLN 78 Ca 0.01 -0.48 -0.10 0.00 0.02 0.00 0.00 55.36 54.81 2eak s GLN 78 Cb -0.15 -1.97 0.05 0.00 1.00 0.00 0.00 33.01 31.95 2eak s GLN 78 CO 0.00 -0.24 0.98 -1.71 -2.12 0.00 0.00 175.29 172.21 2eak n ASN 79 N 4.79 -4.43 0.00 5.90 2.85 -1.18 -2.07 115.26 121.12 2eak n ASN 79 Ca -0.16 -0.73 0.00 0.00 -0.11 0.00 0.00 54.58 53.58 2eak n ASN 79 Cb 0.50 -4.21 0.00 0.00 1.24 0.00 0.00 39.78 37.31 2eak n ASN 79 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 2eak n GLY 80 N -1.72 2.03 3.48 8.20 0.00 -0.17 -5.03 105.19 111.98 2eak n GLY 80 Ca -0.04 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.68 2eak n GLY 80 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2eak s SER 81 N -3.45 3.91 0.39 1.61 0.01 -0.88 -5.08 113.70 110.21 2eak s SER 81 Ca 0.00 -0.43 -0.19 0.00 1.31 0.00 0.00 55.95 56.65 2eak s SER 81 Cb 0.00 -0.65 -0.10 0.00 0.21 0.00 0.00 66.02 65.48 2eak s SER 81 CO 0.00 0.24 0.87 0.26 0.41 0.00 0.00 173.24 175.02 2eak s TRP 82 N -0.99 3.34 0.00 2.43 0.52 -1.26 -0.75 118.94 122.23 2eak s TRP 82 Ca 0.16 1.45 0.00 0.00 0.02 0.00 0.00 56.10 57.73 2eak s TRP 82 Cb -0.11 -2.73 0.00 0.00 -1.15 0.00 0.00 33.47 29.49 2eak s TRP 82 CO 0.07 -0.04 0.00 0.41 0.02 0.00 0.00 176.95 177.41 2eak n GLY 83 N -0.57 1.48 3.75 0.98 0.00 -0.84 -4.95 105.19 105.04 2eak n GLY 83 Ca 0.06 -2.00 -0.41 0.00 0.00 0.00 0.00 46.02 43.67 2eak n GLY 83 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2eak s PRO 84 N 1.32 4.55 0.25 1.61 0.04 -1.26 -4.88 135.00 136.62 2eak s PRO 84 Ca 0.00 1.87 -0.30 0.00 0.04 0.00 0.00 61.00 62.62 2eak s PRO 84 Cb 0.00 -3.20 -0.09 0.00 0.04 0.00 0.00 34.50 31.25 2eak s PRO 84 CO 0.00 0.04 1.15 -1.21 0.04 0.00 0.00 177.00 177.02 2eak s GLU 85 N -0.93 4.56 -0.34 4.56 2.02 -1.26 -4.82 118.70 122.49 2eak s GLU 85 Ca 0.49 1.87 -0.10 0.00 0.02 0.00 0.00 54.97 57.25 2eak s GLU 85 Cb -0.33 -3.20 0.01 0.00 0.10 0.00 0.00 34.13 30.72 2eak s GLU 85 CO 0.40 0.06 0.17 -1.21 0.02 0.00 0.00 175.26 174.71 2eak s GLU 86 N -1.05 3.07 -0.05 1.61 2.02 -0.36 -4.99 118.70 118.95 2eak s GLU 86 Ca 0.48 -0.90 -0.01 0.00 0.02 0.00 0.00 54.97 54.56 2eak s GLU 86 Cb -0.33 -3.63 -0.03 0.00 0.10 0.00 0.00 34.13 30.24 2eak s GLU 86 CO 0.41 -0.55 0.01 1.03 0.02 0.00 0.00 175.26 176.18 2eak s ARG 87 N 1.57 2.94 -0.03 1.61 0.52 -1.26 -0.45 118.95 123.85 2eak s ARG 87 Ca 0.03 -0.48 0.00 0.00 -0.52 0.00 0.00 55.73 54.77 2eak s ARG 87 Cb -0.18 -2.77 0.03 0.00 0.52 0.00 0.00 34.95 32.55 2eak s ARG 87 CO 0.06 0.67 0.01 0.21 0.02 0.00 0.00 175.30 176.27 2eak s LYS 88 N -1.21 0.22 0.00 3.54 2.47 -0.59 -4.98 119.74 119.18 2eak s LYS 88 Ca 0.17 0.10 0.00 0.00 -1.56 0.00 0.00 55.97 54.68 2eak s LYS 88 Cb -0.11 -0.42 0.00 0.00 -1.46 0.00 0.00 37.83 35.83 2eak s LYS 88 CO 0.06 -0.14 0.00 0.25 0.16 0.00 0.00 175.35 175.68 2eak n THR 89 N 4.15 0.00 -3.89 3.43 -2.24 -1.26 -0.97 114.28 113.50 2eak n THR 89 Ca -0.27 0.00 -0.30 0.00 -2.27 0.00 0.00 64.05 61.21 2eak n THR 89 Cb 0.50 -0.59 0.00 0.00 -2.10 0.00 0.00 70.33 68.15 2eak n THR 89 CO 0.00 0.00 0.00 1.41 -0.57 0.00 0.00 175.07 175.91 2eak n HIS 90 N 0.00 -1.69 -1.73 4.78 8.25 -1.26 -4.84 115.22 118.72 2eak n HIS 90 Ca 0.00 0.57 -0.42 0.00 -0.26 0.00 0.00 57.72 57.61 2eak n HIS 90 Cb 0.00 -3.51 -0.03 0.00 1.12 0.00 0.00 29.99 27.57 2eak n HIS 90 CO 0.00 0.00 0.00 1.41 0.64 0.00 0.00 176.34 178.39 2eak s MET 91 N -6.48 4.14 -0.36 -0.41 1.75 -1.26 -4.88 119.30 111.79 2eak s MET 91 Ca 0.21 2.58 0.00 0.00 -1.25 0.00 0.00 55.69 57.23 2eak s MET 91 Cb -0.08 -3.42 0.33 0.00 2.84 0.00 0.00 34.83 34.49 2eak s MET 91 CO 0.89 -0.80 1.85 -0.35 -0.65 0.00 0.00 175.02 175.96 2eak n PRO 92 N 5.11 1.93 -4.18 4.11 -0.04 -1.26 -4.86 135.00 135.81 2eak n PRO 92 Ca 0.17 -1.95 -0.15 0.00 -0.04 0.00 0.00 63.50 61.53 2eak n PRO 92 Cb 0.37 -1.76 -0.11 0.00 -0.04 0.00 0.00 33.50 31.96 2eak n PRO 92 CO 0.00 0.00 0.00 -0.06 -0.04 0.00 0.00 175.50 175.40 2eak s PHE 93 N -2.22 1.11 -0.10 0.54 0.08 -1.26 -4.94 117.98 111.19 2eak s PHE 93 Ca 0.38 -0.62 -0.08 0.00 0.12 0.00 0.00 56.93 56.73 2eak s PHE 93 Cb 0.30 -0.60 0.03 0.00 -0.57 0.00 0.00 43.02 42.18 2eak s PHE 93 CO 0.02 0.02 0.25 -1.14 -0.10 0.00 0.00 175.22 174.27 2eak s GLN 94 N -2.67 0.26 0.12 0.44 0.74 -1.26 -5.12 119.66 112.17 2eak s GLN 94 Ca 0.05 0.40 -0.35 0.00 0.05 0.00 0.00 55.36 55.51 2eak s GLN 94 Cb -0.04 0.06 -0.17 0.00 1.10 0.00 0.00 33.01 33.97 2eak s GLN 94 CO 0.01 -0.07 1.20 1.63 -0.55 0.00 0.00 175.29 177.51 2eak n LYS 95 N 3.33 0.98 -0.99 1.67 5.02 -1.26 -1.69 118.16 125.23 2eak n LYS 95 Ca -0.16 0.35 0.00 0.00 -2.02 0.00 0.00 58.31 56.48 2eak n LYS 95 Cb 0.57 -1.89 0.00 0.00 -0.02 0.00 0.00 35.03 33.68 2eak n LYS 95 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2eak n GLY 96 N 2.17 0.35 3.39 0.72 0.00 0.16 -4.89 105.19 107.09 2eak n GLY 96 Ca 0.17 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.88 2eak n GLY 96 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 2eak s MET 97 N -0.67 1.98 0.38 1.61 -1.94 -0.68 -4.80 119.30 115.18 2eak s MET 97 Ca 0.00 -1.02 -0.26 0.00 -1.71 0.00 0.00 55.69 52.70 2eak s MET 97 Cb 0.00 -2.08 -0.09 0.00 2.01 0.00 0.00 34.83 34.67 2eak s MET 97 CO 0.00 0.54 1.19 -1.25 -0.01 0.00 0.00 175.02 175.49 2eak s PRO 98 N -1.18 4.16 0.02 2.03 0.04 -1.26 -1.89 135.00 136.92 2eak s PRO 98 Ca 0.12 1.92 0.01 0.00 0.04 0.00 0.00 61.00 63.10 2eak s PRO 98 Cb -0.10 -2.80 -0.02 0.00 0.04 0.00 0.00 34.50 31.62 2eak s PRO 98 CO 0.03 -0.25 -0.06 -0.59 0.04 0.00 0.00 177.00 176.16 2eak s PHE 99 N -1.33 0.50 -0.31 0.56 -0.12 0.25 -4.97 117.98 112.55 2eak s PHE 99 Ca 0.54 -0.38 -0.01 0.00 -0.05 0.00 0.00 56.93 57.04 2eak s PHE 99 Cb -0.33 -0.31 0.06 0.00 -0.63 0.00 0.00 43.02 41.81 2eak s PHE 99 CO 0.42 -0.08 0.01 0.34 -0.05 0.00 0.00 175.22 175.86 2eak s ASP 100 N -1.11 4.85 -0.26 1.98 2.15 -1.26 -2.33 116.67 120.68 2eak s ASP 100 Ca -0.08 -1.43 -0.08 0.00 0.43 0.00 0.00 52.55 51.39 2eak s ASP 100 Cb -0.07 -1.69 -0.03 0.00 -0.30 0.00 0.00 42.92 40.82 2eak s ASP 100 CO -0.00 -0.29 0.10 -0.22 -0.17 0.00 0.00 175.17 174.60 2eak s LEU 101 N 1.20 3.64 -0.07 -1.34 2.96 -0.21 -0.14 118.68 124.71 2eak s LEU 101 Ca -0.03 -0.22 0.05 0.00 -0.22 0.00 0.00 54.13 53.70 2eak s LEU 101 Cb -0.20 -1.97 -0.01 0.00 0.50 0.00 0.00 46.19 44.51 2eak s LEU 101 CO -0.02 -0.06 -0.22 0.00 -1.32 0.00 0.00 176.35 174.73 2eak s PHE 103 N -0.11 3.14 -0.36 0.00 0.08 0.17 -1.02 117.98 119.88 2eak s PHE 103 Ca -0.04 -1.78 -0.17 0.00 0.12 0.00 0.00 56.93 55.06 2eak s PHE 103 Cb -0.14 -2.05 -0.00 0.00 -0.57 0.00 0.00 43.02 40.26 2eak s PHE 103 CO 0.04 -0.78 0.44 -1.17 -0.10 0.00 0.00 175.22 173.66 2eak s LEU 104 N 1.27 4.45 -0.20 -0.37 2.96 0.12 -0.70 118.68 126.20 2eak s LEU 104 Ca -0.03 -0.20 -0.29 0.00 -0.22 0.00 0.00 54.13 53.40 2eak s LEU 104 Cb -0.18 -2.46 -0.01 0.00 0.50 0.00 0.00 46.19 44.04 2eak s LEU 104 CO -0.04 -0.44 1.28 -0.69 -1.32 0.00 0.00 176.35 175.14 2eak s VAL 105 N 2.22 4.24 0.41 1.68 1.01 -0.66 -0.18 120.40 129.12 2eak s VAL 105 Ca 0.15 1.47 0.07 0.00 0.00 0.00 0.00 61.98 63.67 2eak s VAL 105 Cb -0.16 -4.04 -0.07 0.00 0.00 0.00 0.00 36.38 32.11 2eak s VAL 105 CO 0.13 -0.23 0.09 -1.10 0.00 0.00 0.00 175.10 173.99 2eak s GLN 106 N 3.70 2.09 0.11 2.72 -0.21 0.11 -0.21 119.66 127.98 2eak s GLN 106 Ca 0.55 -1.98 -0.28 0.00 0.02 0.00 0.00 55.36 53.67 2eak s GLN 106 Cb -0.20 -1.81 -0.10 0.00 1.00 0.00 0.00 33.01 31.90 2eak s GLN 106 CO 0.17 -0.08 1.63 0.66 -2.12 0.00 0.00 175.29 175.55 2eak h SER 107 N 1.60 -0.84 0.41 5.90 4.64 -1.98 -3.12 113.55 120.16 2eak h SER 107 Ca -0.43 0.09 0.00 0.00 -0.47 0.00 0.00 61.79 60.98 2eak h SER 107 Cb 1.25 0.31 0.00 0.00 -0.31 0.00 0.00 62.40 63.64 2eak h SER 107 CO 0.75 -0.40 -0.81 -1.54 -0.87 0.00 0.00 176.83 173.96 2eak n SER 108 N -5.41 0.65 -3.34 4.97 3.41 -1.26 -4.91 113.62 107.72 2eak n SER 108 Ca -0.07 -0.34 -0.09 0.00 -0.26 0.00 0.00 58.87 58.11 2eak n SER 108 Cb 0.32 0.60 -0.00 0.00 -0.26 0.00 0.00 64.21 64.87 2eak n SER 108 CO 0.00 0.00 0.00 1.51 -0.16 0.00 0.00 175.04 176.39 2eak s ASP 109 N -3.46 -0.02 -0.17 4.04 -4.77 -1.18 -2.03 116.67 109.09 2eak s ASP 109 Ca 0.07 -0.98 -0.12 0.00 -3.30 0.00 0.00 52.55 48.23 2eak s ASP 109 Cb 0.16 0.78 -0.05 0.00 -1.09 0.00 0.00 42.92 42.72 2eak s ASP 109 CO 0.77 -1.51 0.21 -0.36 0.70 0.00 0.00 175.17 174.99 2eak s PHE 110 N -3.03 3.46 -0.28 2.11 0.08 0.74 0.08 117.98 121.14 2eak s PHE 110 Ca 0.16 0.49 -0.11 0.00 0.12 0.00 0.00 56.93 57.59 2eak s PHE 110 Cb -0.05 -2.22 -0.05 0.00 -0.57 0.00 0.00 43.02 40.13 2eak s PHE 110 CO 0.10 0.33 0.19 0.21 -0.10 0.00 0.00 175.22 175.95 2eak s LYS 111 N 0.21 3.94 -0.25 0.44 2.20 0.75 -1.13 119.74 125.90 2eak s LYS 111 Ca 0.13 -0.32 -0.03 0.00 -0.36 0.00 0.00 55.97 55.39 2eak s LYS 111 Cb -0.12 -3.65 0.02 0.00 -1.51 0.00 0.00 37.83 32.57 2eak s LYS 111 CO 0.02 -0.17 -0.04 0.08 -0.36 0.00 0.00 175.35 174.87 2eak s VAL 112 N 1.74 3.08 -0.12 4.02 1.01 0.26 0.11 120.40 130.49 2eak s VAL 112 Ca 0.07 -0.90 -0.06 0.00 0.00 0.00 0.00 61.98 61.09 2eak s VAL 112 Cb -0.16 -2.54 -0.04 0.00 0.00 0.00 0.00 36.38 33.64 2eak s VAL 112 CO 0.11 0.22 0.10 -0.04 0.00 0.00 0.00 175.10 175.49 2eak s MET 113 N 1.37 3.42 -0.15 2.72 -1.94 -0.19 -0.08 119.30 124.45 2eak s MET 113 Ca 0.01 -0.22 0.01 0.00 -1.71 0.00 0.00 55.69 53.78 2eak s MET 113 Cb -0.16 -3.11 0.00 0.00 2.01 0.00 0.00 34.83 33.57 2eak s MET 113 CO -0.04 0.70 -0.16 0.08 -0.01 0.00 0.00 175.02 175.59 2eak s VAL 114 N -0.81 2.55 -1.54 -6.03 1.01 0.12 -0.97 120.40 114.73 2eak s VAL 114 Ca 0.13 -0.81 -0.12 0.00 0.00 0.00 0.00 61.98 61.18 2eak s VAL 114 Cb -0.12 -2.07 0.09 0.00 0.00 0.00 0.00 36.38 34.28 2eak s VAL 114 CO 0.03 0.52 0.85 0.59 0.00 0.00 0.00 175.10 177.09 2eak n ASN 115 N 4.08 -3.61 0.00 3.32 3.02 0.80 -1.62 115.26 121.26 2eak n ASN 115 Ca -0.19 -0.86 0.00 0.00 -0.03 0.00 0.00 54.58 53.50 2eak n ASN 115 Cb 0.52 -3.56 0.00 0.00 -0.61 0.00 0.00 39.78 36.13 2eak n ASN 115 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2eak n GLY 116 N -1.64 1.33 3.51 7.41 0.00 -1.26 -5.02 105.19 109.52 2eak n GLY 116 Ca -0.02 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.66 2eak n GLY 116 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2eak s ILE 117 N -2.95 3.50 0.03 -0.61 -1.09 -0.64 -5.06 121.20 114.38 2eak s ILE 117 Ca 0.00 -0.54 -0.33 0.00 -2.23 0.00 0.00 60.65 57.56 2eak s ILE 117 Cb 0.00 -2.45 -0.11 0.00 -1.58 0.00 0.00 42.46 38.32 2eak s ILE 117 CO 0.00 0.56 1.83 -0.11 -1.23 0.00 0.00 174.94 176.00 2eak n LEU 118 N 2.71 3.66 -0.09 2.97 7.94 -1.26 0.12 117.00 133.05 2eak n LEU 118 Ca -0.18 0.98 -0.18 0.00 -1.11 0.00 0.00 56.01 55.52 2eak n LEU 118 Cb 0.53 -1.45 -0.06 0.00 0.53 0.00 0.00 43.42 42.97 2eak n LEU 118 CO 0.28 0.01 -1.06 0.33 -1.11 0.00 0.00 177.39 175.83 2eak n PHE 119 N 5.98 0.00 -3.83 1.96 7.35 0.89 -4.85 117.46 124.96 2eak n PHE 119 Ca 0.20 0.00 -0.10 0.00 -0.76 0.00 0.00 57.45 56.79 2eak n PHE 119 Cb 0.33 -0.62 -0.08 0.00 0.35 0.00 0.00 39.48 39.46 2eak n PHE 119 CO 0.00 0.00 0.00 0.14 -0.76 0.00 0.00 176.76 176.14 2eak s VAL 120 N -2.36 0.11 -0.05 -2.13 -7.23 -1.03 -5.03 120.40 102.68 2eak s VAL 120 Ca -0.25 -0.89 0.04 0.00 -1.81 0.00 0.00 61.98 59.07 2eak s VAL 120 Cb 0.09 -0.99 -0.03 0.00 0.56 0.00 0.00 36.38 36.02 2eak s VAL 120 CO 0.32 -0.49 -0.14 -1.10 -0.31 0.00 0.00 175.10 173.37 2eak s GLN 121 N -2.78 2.52 -0.15 4.82 -0.21 -1.26 -0.58 119.66 122.02 2eak s GLN 121 Ca -0.03 -0.70 -0.01 0.00 0.02 0.00 0.00 55.36 54.64 2eak s GLN 121 Cb -0.00 -2.38 0.04 0.00 1.00 0.00 0.00 33.01 31.67 2eak s GLN 121 CO -0.05 0.61 -0.02 -0.47 -2.12 0.00 0.00 175.29 173.24 2eak s TYR 122 N -0.71 1.35 0.18 0.91 5.04 -0.28 -4.94 117.35 118.90 2eak s TYR 122 Ca 0.11 -0.84 -0.30 0.00 -2.44 0.00 0.00 57.07 53.59 2eak s TYR 122 Cb -0.11 -1.15 -0.09 0.00 0.35 0.00 0.00 41.96 40.96 2eak s TYR 122 CO 0.01 -0.55 1.35 -0.06 -1.34 0.00 0.00 175.55 174.95 2eak s PHE 123 N 1.75 3.23 0.13 4.97 0.08 -1.26 -0.19 117.98 126.69 2eak s PHE 123 Ca 0.01 1.11 -0.34 0.00 0.12 0.00 0.00 56.93 57.84 2eak s PHE 123 Cb -0.15 -3.65 -0.14 0.00 -0.57 0.00 0.00 43.02 38.52 2eak s PHE 123 CO -0.07 -2.12 1.61 0.72 -0.10 0.00 0.00 175.22 175.26 2eak n HIS 124 N 3.03 2.29 -0.01 0.36 8.25 -0.86 -4.84 115.22 123.43 2eak n HIS 124 Ca 0.08 0.23 0.05 0.00 -0.26 0.00 0.00 57.72 57.82 2eak n HIS 124 Cb 0.42 -2.56 -0.09 0.00 1.12 0.00 0.00 29.99 28.88 2eak n HIS 124 CO 0.00 0.00 0.00 0.54 0.64 0.00 0.00 176.34 177.52 2eak n ARG 125 N 3.81 0.53 -4.18 -0.41 1.74 -1.26 -4.97 116.66 111.91 2eak n ARG 125 Ca 0.18 -0.10 -0.13 0.00 -0.77 0.00 0.00 57.85 57.03 2eak n ARG 125 Cb 0.29 -1.29 -0.10 0.00 -1.02 0.00 0.00 32.46 30.34 2eak n ARG 125 CO 0.00 0.00 0.00 0.14 -1.52 0.00 0.00 177.63 176.25 2eak s VAL 126 N -2.79 0.86 0.48 1.55 -7.23 -1.26 -5.16 120.40 106.85 2eak s VAL 126 Ca -0.05 -1.80 -0.21 0.00 -1.81 0.00 0.00 61.98 58.12 2eak s VAL 126 Cb 0.07 -1.52 -0.08 0.00 0.56 0.00 0.00 36.38 35.41 2eak s VAL 126 CO 0.50 -0.71 1.07 -2.16 -0.31 0.00 0.00 175.10 173.50 2eak s PRO 127 N -3.29 3.78 0.10 4.82 0.04 -1.26 -5.07 135.00 134.12 2eak s PRO 127 Ca 0.09 1.49 0.02 0.00 0.04 0.00 0.00 61.00 62.64 2eak s PRO 127 Cb 0.01 -2.20 -0.04 0.00 0.04 0.00 0.00 34.50 32.31 2eak s PRO 127 CO -0.02 -0.47 0.18 -0.59 0.04 0.00 0.00 177.00 176.14 2eak s PHE 128 N -1.82 3.38 -0.89 0.56 -0.71 -1.26 -3.63 117.98 113.61 2eak s PHE 128 Ca 0.66 0.14 0.01 0.00 -1.04 0.00 0.00 56.93 56.69 2eak s PHE 128 Cb -0.21 -1.67 0.31 0.00 -1.21 0.00 0.00 43.02 40.25 2eak s PHE 128 CO 0.25 0.55 1.44 0.72 -1.34 0.00 0.00 175.22 176.83 2eak n HIS 129 N 0.05 3.05 0.26 3.49 -0.00 -1.25 -4.99 115.22 115.82 2eak n HIS 129 Ca -0.07 -3.07 0.13 0.00 -0.00 0.00 0.00 57.72 54.72 2eak n HIS 129 Cb 0.52 -0.98 0.70 0.00 -0.00 0.00 0.00 29.99 30.24 2eak n HIS 129 CO 0.00 0.00 0.00 0.07 -0.00 0.00 0.00 176.34 176.41 2eak h ARG 130 N 4.18 0.00 -6.50 -0.41 0.11 -1.91 -3.43 114.38 106.42 2eak h ARG 130 Ca 0.34 0.00 -0.57 0.00 0.10 0.00 0.00 59.98 59.85 2eak h ARG 130 Cb 0.46 0.00 -0.06 0.00 1.11 0.00 0.00 29.97 31.48 2eak h ARG 130 CO 1.09 0.12 0.97 0.14 0.10 0.00 0.00 179.97 182.40 2eak s VAL 131 N -4.07 4.13 -0.51 0.08 -7.23 -1.26 -4.51 120.40 107.02 2eak s VAL 131 Ca -0.02 1.21 0.13 0.00 -1.81 0.00 0.00 61.98 61.49 2eak s VAL 131 Cb 0.12 -4.32 0.36 0.00 0.56 0.00 0.00 36.38 33.11 2eak s VAL 131 CO 0.58 -0.71 1.29 -0.90 -0.31 0.00 0.00 175.10 175.06 2eak n ASP 132 N 7.96 3.18 -3.64 4.85 5.68 -0.44 -3.00 116.55 131.14 2eak n ASP 132 Ca 0.14 -2.45 -0.13 0.00 -0.50 0.00 0.00 54.79 51.85 2eak n ASP 132 Cb 0.48 -0.34 -0.07 0.00 -1.14 0.00 0.00 41.12 40.04 2eak n ASP 132 CO 0.00 0.00 0.00 -0.89 -1.33 0.00 0.00 177.20 174.98 2eak s THR 133 N -1.81 -0.00 -0.08 2.12 2.01 -1.00 -1.82 115.64 115.06 2eak s THR 133 Ca 0.29 0.00 0.02 0.00 0.31 0.00 0.00 61.69 62.31 2eak s THR 133 Cb 0.20 -0.94 -0.02 0.00 0.01 0.00 0.00 72.50 71.75 2eak s THR 133 CO 0.11 0.00 -0.12 -0.51 -0.69 0.00 0.00 174.62 173.41 2eak s ILE 134 N 0.54 3.22 0.02 1.82 2.07 0.11 -1.05 121.20 127.93 2eak s ILE 134 Ca -0.01 -0.64 0.04 0.00 -1.41 0.00 0.00 60.65 58.62 2eak s ILE 134 Cb -0.05 -2.30 -0.02 0.00 0.13 0.00 0.00 42.46 40.22 2eak s ILE 134 CO -0.02 0.57 -0.11 -0.44 -1.91 0.00 0.00 174.94 173.03 2eak s SER 135 N -0.40 1.29 -0.01 4.50 0.01 0.37 -0.70 113.70 118.76 2eak s SER 135 Ca 0.05 -0.36 0.03 0.00 1.31 0.00 0.00 55.95 56.97 2eak s SER 135 Cb -0.12 -0.09 -0.00 0.00 0.21 0.00 0.00 66.02 66.02 2eak s SER 135 CO 0.02 0.02 -0.09 -0.69 0.41 0.00 0.00 173.24 172.92 2eak s VAL 136 N -0.69 0.69 0.19 3.43 1.01 0.53 0.63 120.40 126.19 2eak s VAL 136 Ca 0.00 -0.36 -0.13 0.00 0.00 0.00 0.00 61.98 61.49 2eak s VAL 136 Cb -0.06 -0.59 0.01 0.00 0.00 0.00 0.00 36.38 35.73 2eak s VAL 136 CO 0.01 0.20 0.41 0.54 0.00 0.00 0.00 175.10 176.25 2eak s ASN 137 N -0.13 -0.09 0.00 3.32 2.20 -0.81 -0.01 114.94 119.41 2eak s ASN 137 Ca 0.02 -0.74 0.00 0.00 -0.94 0.00 0.00 52.86 51.21 2eak s ASN 137 Cb -0.04 0.52 0.00 0.00 -2.00 0.00 0.00 41.25 39.72 2eak s ASN 137 CO -0.00 -1.00 0.00 0.61 -2.94 0.00 0.00 177.10 173.77 2eak n GLY 138 N -0.29 -0.32 2.45 0.45 0.00 -1.26 -1.03 105.19 105.18 2eak n GLY 138 Ca -0.07 -1.96 -0.33 0.00 0.00 0.00 0.00 46.02 43.66 2eak n GLY 138 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2eak n SER 139 N 0.00 7.28 -4.21 1.61 7.64 0.07 -4.87 113.62 121.14 2eak n SER 139 Ca 0.00 -3.10 -0.20 0.00 1.01 0.00 0.00 58.87 56.58 2eak n SER 139 Cb 0.00 -1.32 -0.12 0.00 -1.01 0.00 0.00 64.21 61.76 2eak n SER 139 CO 0.00 0.00 0.00 0.68 -3.01 0.00 0.00 175.04 172.71 2eak s VAL 140 N -1.32 1.28 -0.00 0.44 -7.23 -1.26 -0.89 120.40 111.42 2eak s VAL 140 Ca 0.58 -1.41 0.03 0.00 -1.81 0.00 0.00 61.98 59.37 2eak s VAL 140 Cb 0.27 -1.24 -0.03 0.00 0.56 0.00 0.00 36.38 35.94 2eak s VAL 140 CO -0.14 -0.21 -0.07 -1.58 -0.31 0.00 0.00 175.10 172.79 2eak s GLN 141 N -1.89 2.55 -0.07 4.82 0.74 -0.57 -4.78 119.66 120.45 2eak s GLN 141 Ca 0.01 -0.72 0.01 0.00 0.05 0.00 0.00 55.36 54.72 2eak s GLN 141 Cb -0.09 -2.49 -0.03 0.00 1.10 0.00 0.00 33.01 31.49 2eak s GLN 141 CO 0.03 0.61 -0.07 -0.51 -0.55 0.00 0.00 175.29 174.79 2eak s LEU 142 N -1.34 3.13 -0.21 3.68 1.43 -1.26 -0.79 118.68 123.32 2eak s LEU 142 Ca 0.16 -0.05 -0.20 0.00 -1.03 0.00 0.00 54.13 53.02 2eak s LEU 142 Cb -0.11 -1.68 -0.17 0.00 0.03 0.00 0.00 46.19 44.26 2eak s LEU 142 CO 0.07 0.35 0.11 -1.20 0.23 0.00 0.00 176.35 175.91 2eak n SER 143 N 2.31 1.87 -3.48 2.29 7.64 0.21 -4.19 113.62 120.26 2eak n SER 143 Ca -0.18 0.42 -0.12 0.00 1.01 0.00 0.00 58.87 60.00 2eak n SER 143 Cb 0.53 -0.94 -0.03 0.00 -1.01 0.00 0.00 64.21 62.76 2eak n SER 143 CO 0.00 0.00 0.00 -0.72 -3.01 0.00 0.00 175.04 171.31 2eak s TYR 144 N -2.38 -0.48 -0.19 1.43 -0.85 -0.82 0.08 117.35 114.14 2eak s TYR 144 Ca -0.29 0.33 -0.01 0.00 -0.52 0.00 0.00 57.07 56.57 2eak s TYR 144 Cb 0.07 0.47 0.01 0.00 0.38 0.00 0.00 41.96 42.89 2eak s TYR 144 CO 0.56 -0.78 -0.13 0.42 -1.52 0.00 0.00 175.55 174.09 2eak s ILE 145 N -3.43 2.65 0.14 -3.49 1.01 0.24 -1.19 121.20 117.14 2eak s ILE 145 Ca -0.00 -0.74 0.06 0.00 0.00 0.00 0.00 60.65 59.97 2eak s ILE 145 Cb -0.00 -2.16 -0.04 0.00 0.01 0.00 0.00 42.46 40.27 2eak s ILE 145 CO -0.10 0.49 -0.14 -0.94 0.00 0.00 0.00 174.94 174.25 2eak s SER 146 N 1.33 2.09 -0.00 3.58 1.04 -0.17 -0.24 113.70 121.33 2eak s SER 146 Ca 0.05 -0.86 0.06 0.00 0.48 0.00 0.00 55.95 55.67 2eak s SER 146 Cb -0.14 -0.08 -0.02 0.00 0.10 0.00 0.00 66.02 65.89 2eak s SER 146 CO -0.08 -0.16 -0.19 -0.36 0.98 0.00 0.00 173.24 173.43 2eak s PHE 147 N -2.36 1.66 0.00 5.02 0.08 -1.24 -0.06 117.98 121.07 2eak s PHE 147 Ca 0.12 -0.32 0.00 0.00 0.12 0.00 0.00 56.93 56.84 2eak s PHE 147 Cb -0.04 -1.05 0.00 0.00 -0.57 0.00 0.00 43.02 41.36 2eak s PHE 147 CO 0.03 -0.01 0.00 0.00 -0.10 0.00 0.00 175.22 175.15