#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1piv n ASP 25 N 0.00 1.10 -4.83 1.08 5.75 -1.26 -5.08 116.55 113.31 1piv n ASP 25 Ca 0.00 -2.47 -0.32 0.00 -0.01 0.00 0.00 54.79 51.98 1piv n ASP 25 Cb 0.00 -0.30 -0.03 0.00 -1.03 0.00 0.00 41.12 39.77 1piv n ASP 25 CO 0.00 0.00 0.00 -0.94 -0.11 0.00 0.00 177.20 176.15 1piv s SER 26 N -1.83 6.45 0.83 -1.12 1.04 -1.26 -4.12 113.70 113.69 1piv s SER 26 Ca 0.15 1.63 -0.11 0.00 0.48 0.00 0.00 55.95 58.09 1piv s SER 26 Cb 0.13 -2.51 0.09 0.00 0.10 0.00 0.00 66.02 63.82 1piv s SER 26 CO 0.01 -0.71 1.09 -0.76 0.98 0.00 0.00 173.24 173.86 1piv s LEU 27 N -4.15 2.52 0.29 2.42 1.43 0.16 -4.98 118.68 116.36 1piv s LEU 27 Ca 0.60 1.42 -0.30 0.00 -1.03 0.00 0.00 54.13 54.82 1piv s LEU 27 Cb -0.11 -3.97 -0.11 0.00 0.03 0.00 0.00 46.19 42.03 1piv s LEU 27 CO 0.32 -2.20 1.53 -2.16 0.23 0.00 0.00 176.35 174.07 1piv s PRO 28 N -5.05 4.17 0.46 1.29 0.04 -1.26 -4.64 135.00 130.00 1piv s PRO 28 Ca 0.62 2.48 -0.25 0.00 0.04 0.00 0.00 61.00 63.89 1piv s PRO 28 Cb -0.16 -3.04 -0.08 0.00 0.04 0.00 0.00 34.50 31.25 1piv s PRO 28 CO 0.55 -0.54 1.35 -0.25 0.04 0.00 0.00 177.00 178.15 1piv n ASP 29 N 2.01 2.90 -4.71 6.66 8.00 -1.26 -4.64 116.55 125.51 1piv n ASP 29 Ca 0.07 1.09 -0.42 0.00 0.71 0.00 0.00 54.79 56.23 1piv n ASP 29 Cb 0.39 -1.56 -0.03 0.00 -0.02 0.00 0.00 41.12 39.90 1piv n ASP 29 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 1piv s THR 30 N -1.22 4.80 0.12 -3.53 2.01 -0.76 -4.93 115.64 112.14 1piv s THR 30 Ca 0.63 2.02 -0.24 0.00 0.31 0.00 0.00 61.69 64.41 1piv s THR 30 Cb -0.46 -4.29 -0.07 0.00 0.01 0.00 0.00 72.50 67.68 1piv s THR 30 CO 0.56 0.13 0.73 -0.54 -0.69 0.00 0.00 174.62 174.81 1piv s LYS 31 N 1.16 4.47 -0.06 4.92 -0.14 -1.26 -1.60 119.74 127.23 1piv s LYS 31 Ca 0.52 1.04 -0.30 0.00 -1.36 0.00 0.00 55.97 55.88 1piv s LYS 31 Cb -0.21 -3.28 -0.06 0.00 -1.68 0.00 0.00 37.83 32.60 1piv s LYS 31 CO 0.27 0.53 1.81 0.00 -0.76 0.00 0.00 175.35 177.20 1piv s ALA 32 N -0.93 3.47 -0.07 5.17 0.00 -1.21 -4.51 121.76 123.68 1piv s ALA 32 Ca 0.35 0.99 0.04 0.00 0.00 0.00 0.00 51.96 53.34 1piv s ALA 32 Cb -0.22 -3.83 -0.00 0.00 0.00 0.00 0.00 23.12 19.07 1piv s ALA 32 CO 0.24 -1.66 -0.22 0.45 0.00 0.00 0.00 175.76 174.56 1piv s SER 33 N 4.30 2.79 0.09 0.00 0.15 0.12 -4.95 113.70 116.21 1piv s SER 33 Ca 0.81 -0.48 0.00 0.00 0.70 0.00 0.00 55.95 56.97 1piv s SER 33 Cb -0.35 -1.04 0.00 0.00 -1.71 0.00 0.00 66.02 62.91 1piv s SER 33 CO 0.34 0.17 0.00 0.61 1.20 0.00 0.00 173.24 175.56 1piv n GLY 34 N 3.32 1.48 3.75 9.45 0.00 -1.26 -2.16 105.19 119.77 1piv n GLY 34 Ca -0.19 -2.03 -0.34 0.00 0.00 0.00 0.00 46.02 43.47 1piv n GLY 34 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1piv s PRO 35 N -0.37 2.57 -0.00 1.61 0.04 -1.26 -4.66 135.00 132.92 1piv s PRO 35 Ca 0.00 1.54 0.03 0.00 0.04 0.00 0.00 61.00 62.61 1piv s PRO 35 Cb 0.00 -1.91 -0.01 0.00 0.04 0.00 0.00 34.50 32.62 1piv s PRO 35 CO 0.00 -1.46 -0.09 0.00 0.04 0.00 0.00 177.00 175.49 1piv s ALA 36 N -2.18 0.75 -0.41 8.56 0.00 -1.26 -5.06 121.76 122.16 1piv s ALA 36 Ca 0.70 -0.41 0.05 0.00 0.00 0.00 0.00 51.96 52.30 1piv s ALA 36 Cb -0.24 -0.18 0.19 0.00 0.00 0.00 0.00 23.12 22.89 1piv s ALA 36 CO 0.42 0.18 0.39 1.58 0.00 0.00 0.00 175.76 178.33 1piv n HIS 37 N 2.78 -0.77 -4.19 0.00 -0.00 -1.26 -5.14 115.22 106.64 1piv n HIS 37 Ca -0.14 -3.37 -0.12 0.00 -0.00 0.00 0.00 57.72 54.09 1piv n HIS 37 Cb 0.57 0.11 -0.10 0.00 -0.00 0.00 0.00 29.99 30.56 1piv n HIS 37 CO 0.00 0.00 0.00 -1.54 -0.00 0.00 0.00 176.34 174.80 1piv s SER 38 N -0.27 0.15 0.00 0.26 1.04 -1.26 -5.03 113.70 108.58 1piv s SER 38 Ca 0.33 -1.37 0.30 0.00 0.48 0.00 0.00 55.95 55.70 1piv s SER 38 Cb 0.07 0.38 1.56 0.00 0.10 0.00 0.00 66.02 68.14 1piv s SER 38 CO -0.18 -0.85 2.05 0.29 0.98 0.00 0.00 173.24 175.54 1piv n LYS 39 N -0.27 0.70 -2.85 4.02 5.02 -1.26 -4.74 118.16 118.79 1piv n LYS 39 Ca 0.02 -0.09 -0.42 0.00 -2.02 0.00 0.00 58.31 55.80 1piv n LYS 39 Cb 0.66 -1.50 -0.04 0.00 -0.02 0.00 0.00 35.03 34.13 1piv n LYS 39 CO 0.00 0.00 0.00 -1.21 -0.52 0.00 0.00 177.40 175.67 1piv s GLU 40 N -2.36 4.21 -0.60 1.97 2.02 -1.26 -5.02 118.70 117.66 1piv s GLU 40 Ca 0.35 1.03 0.06 0.00 0.02 0.00 0.00 54.97 56.43 1piv s GLU 40 Cb 0.21 -3.64 0.28 0.00 0.10 0.00 0.00 34.13 31.09 1piv s GLU 40 CO 0.43 -0.52 0.81 0.28 0.02 0.00 0.00 175.26 176.28 1piv n VAL 41 N 5.21 2.46 0.15 2.63 0.31 -1.26 -4.95 118.33 122.89 1piv n VAL 41 Ca 0.07 -5.30 0.15 0.00 -0.01 0.00 0.00 64.34 59.25 1piv n VAL 41 Cb 0.47 -1.80 0.71 0.00 -0.91 0.00 0.00 33.84 32.31 1piv n VAL 41 CO 0.00 0.00 0.00 1.55 -1.32 0.00 0.00 176.83 177.06 1piv h PRO 42 N 3.71 0.00 0.00 5.55 0.13 -1.95 -0.98 132.00 138.46 1piv h PRO 42 Ca 0.17 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 65.28 1piv h PRO 42 Cb 0.62 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.75 1piv h PRO 42 CO 0.81 0.00 -0.08 0.00 -0.23 0.00 0.00 178.00 178.50 1piv h ALA 43 N 1.86 1.54 -2.68 -0.56 0.00 -1.92 -3.43 119.26 114.06 1piv h ALA 43 Ca 0.11 -0.08 -0.61 0.00 0.00 0.00 0.00 54.91 54.34 1piv h ALA 43 Cb 0.47 -0.01 -0.05 0.00 0.00 0.00 0.00 17.79 18.20 1piv h ALA 43 CO -0.00 0.10 -0.28 -0.51 0.00 0.00 0.00 179.25 178.57 1piv s LEU 44 N -7.93 4.39 0.00 0.00 1.43 -0.37 -5.07 118.68 111.13 1piv s LEU 44 Ca -0.04 0.78 -0.07 0.00 -1.03 0.00 0.00 54.13 53.77 1piv s LEU 44 Cb 0.15 -2.74 0.03 0.00 0.03 0.00 0.00 46.19 43.65 1piv s LEU 44 CO 0.61 0.25 0.34 1.07 0.23 0.00 0.00 176.35 178.85 1piv n THR 45 N 1.29 0.00 -3.48 5.49 5.66 -1.26 -4.99 114.28 116.99 1piv n THR 45 Ca -0.11 -0.35 -0.29 0.00 -3.05 0.00 0.00 64.05 60.25 1piv n THR 45 Cb 0.53 0.38 -0.13 0.00 -1.55 0.00 0.00 70.33 69.55 1piv n THR 45 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1piv s ALA 46 N -1.43 0.79 -1.13 1.79 0.00 -1.26 -5.01 121.76 115.52 1piv s ALA 46 Ca 0.07 -1.62 0.01 0.00 0.00 0.00 0.00 51.96 50.41 1piv s ALA 46 Cb -0.02 -1.56 0.02 0.00 0.00 0.00 0.00 23.12 21.57 1piv s ALA 46 CO 0.04 -1.99 0.95 1.33 0.00 0.00 0.00 175.76 176.10 1piv n VAL 47 N 4.37 1.71 0.15 0.00 0.24 -1.26 -1.87 118.33 121.67 1piv n VAL 47 Ca 0.07 0.43 0.07 0.00 -2.04 0.00 0.00 64.34 62.88 1piv n VAL 47 Cb 0.39 -1.42 0.57 0.00 -1.47 0.00 0.00 33.84 31.90 1piv n VAL 47 CO 0.00 0.00 0.00 -0.33 -2.14 0.00 0.00 176.83 174.36 1piv h GLU 48 N 0.00 0.20 -0.09 7.34 3.07 -1.95 -2.52 114.58 120.63 1piv h GLU 48 Ca 0.00 -0.01 0.03 0.00 -0.50 0.00 0.00 59.36 58.87 1piv h GLU 48 Cb 0.01 -0.04 -0.00 0.00 -0.84 0.00 0.00 28.75 27.87 1piv h GLU 48 CO 0.00 0.13 0.16 1.79 -1.40 0.00 0.00 179.01 179.69 1piv h THR 49 N 0.20 0.29 0.00 1.13 1.35 -1.83 -3.45 112.91 110.60 1piv h THR 49 Ca 0.07 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.93 1piv h THR 49 Cb 0.05 0.86 0.00 0.00 -1.73 0.00 0.00 68.15 67.33 1piv h THR 49 CO -0.01 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 175.87 1piv n GLY 50 N -1.29 2.18 3.90 5.82 0.00 -0.95 -5.08 105.19 109.77 1piv n GLY 50 Ca -0.01 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.72 1piv n GLY 50 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1piv s ALA 51 N -2.61 3.65 -0.16 4.61 0.00 -1.26 -5.09 121.76 120.89 1piv s ALA 51 Ca 0.00 -0.54 -0.12 0.00 0.00 0.00 0.00 51.96 51.31 1piv s ALA 51 Cb 0.00 -2.28 -0.05 0.00 0.00 0.00 0.00 23.12 20.79 1piv s ALA 51 CO 0.00 0.34 0.22 0.99 0.00 0.00 0.00 175.76 177.30 1piv s THR 52 N -1.99 5.36 -0.12 0.00 2.01 -1.26 -4.68 115.64 114.95 1piv s THR 52 Ca 0.44 0.38 -0.29 0.00 0.31 0.00 0.00 61.69 62.53 1piv s THR 52 Cb -0.11 -3.55 -0.06 0.00 0.01 0.00 0.00 72.50 68.80 1piv s THR 52 CO 0.28 0.44 1.97 0.21 -0.69 0.00 0.00 174.62 176.83 1piv s ASN 53 N 0.19 6.07 -0.24 3.53 3.84 -1.26 -4.87 114.94 122.19 1piv s ASN 53 Ca 0.13 2.12 -0.04 0.00 0.21 0.00 0.00 52.86 55.28 1piv s ASN 53 Cb -0.12 -2.52 -0.13 0.00 -0.55 0.00 0.00 41.25 37.92 1piv s ASN 53 CO 0.02 -1.44 2.27 -0.81 -2.79 0.00 0.00 177.10 174.35 1piv n PRO 54 N 8.02 1.42 -3.53 0.43 -0.04 -1.26 -4.92 135.00 135.11 1piv n PRO 54 Ca 0.23 -0.81 -0.35 0.00 -0.04 0.00 0.00 63.50 62.53 1piv n PRO 54 Cb 0.44 -1.96 -0.06 0.00 -0.04 0.00 0.00 33.50 31.88 1piv n PRO 54 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1piv s LEU 55 N 0.03 4.35 0.17 1.53 1.43 -1.26 -5.09 118.68 119.84 1piv s LEU 55 Ca 0.39 0.86 0.07 0.00 -1.03 0.00 0.00 54.13 54.42 1piv s LEU 55 Cb 0.16 -3.02 -0.04 0.00 0.03 0.00 0.00 46.19 43.32 1piv s LEU 55 CO -0.01 0.16 0.01 0.00 0.23 0.00 0.00 176.35 176.74 1piv s ALA 56 N -1.40 3.22 0.34 4.21 0.00 -1.26 -5.04 121.76 121.84 1piv s ALA 56 Ca 0.34 -1.35 0.13 0.00 0.00 0.00 0.00 51.96 51.07 1piv s ALA 56 Cb -0.14 -1.01 0.99 0.00 0.00 0.00 0.00 23.12 22.96 1piv s ALA 56 CO 0.18 0.49 1.72 -1.35 0.00 0.00 0.00 175.76 176.80 1piv h PRO 57 N 2.71 0.46 0.00 0.00 0.11 -1.98 0.21 132.00 133.50 1piv h PRO 57 Ca -0.47 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.61 1piv h PRO 57 Cb 1.20 -0.10 0.00 0.00 0.11 0.00 0.00 31.00 32.21 1piv h PRO 57 CO 0.58 0.30 0.05 -1.13 -0.21 0.00 0.00 178.00 177.60 1piv n SER 58 N -4.87 0.50 0.15 -2.05 3.41 -1.26 -0.75 113.62 108.75 1piv n SER 58 Ca 0.28 0.72 0.07 0.00 -0.26 0.00 0.00 58.87 59.68 1piv n SER 58 Cb 0.85 -0.76 0.06 0.00 -0.26 0.00 0.00 64.21 64.10 1piv n SER 58 CO 0.00 0.00 0.00 0.44 -0.16 0.00 0.00 175.04 175.32 1piv h ASP 59 N 0.00 0.00 0.00 4.04 3.32 -1.35 -3.40 116.42 119.03 1piv h ASP 59 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1piv h ASP 59 Cb 0.11 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.66 1piv h ASP 59 CO 0.00 0.27 -0.23 0.35 -1.72 0.00 0.00 179.24 177.91 1piv n THR 60 N -3.08 0.00 -4.14 0.35 -2.24 -0.73 -4.69 114.28 99.74 1piv n THR 60 Ca 0.01 -0.23 -0.12 0.00 -2.27 0.00 0.00 64.05 61.44 1piv n THR 60 Cb 0.65 0.78 -0.11 0.00 -2.10 0.00 0.00 70.33 69.56 1piv n THR 60 CO 0.00 0.00 0.00 0.68 -0.57 0.00 0.00 175.07 175.18 1piv s VAL 61 N -0.93 0.69 -0.07 2.28 -7.23 0.07 -5.11 120.40 110.10 1piv s VAL 61 Ca 0.00 -1.65 -0.30 0.00 -1.81 0.00 0.00 61.98 58.23 1piv s VAL 61 Cb 0.00 -1.33 -0.04 0.00 0.56 0.00 0.00 36.38 35.57 1piv s VAL 61 CO 0.00 -0.68 1.40 -1.10 -0.31 0.00 0.00 175.10 174.40 1piv s GLN 62 N -3.03 4.25 0.15 4.82 -0.21 -1.26 -4.19 119.66 120.19 1piv s GLN 62 Ca 0.05 1.89 0.09 0.00 0.02 0.00 0.00 55.36 57.41 1piv s GLN 62 Cb -0.00 -3.73 -0.04 0.00 1.00 0.00 0.00 33.01 30.23 1piv s GLN 62 CO -0.02 -0.67 -0.13 0.95 -2.12 0.00 0.00 175.29 173.29 1piv s THR 63 N 3.14 3.03 0.75 -0.19 -4.23 -0.92 -4.94 115.64 112.28 1piv s THR 63 Ca 0.62 -1.61 -0.02 0.00 -1.18 0.00 0.00 61.69 59.50 1piv s THR 63 Cb -0.28 -2.46 0.13 0.00 1.34 0.00 0.00 72.50 71.24 1piv s THR 63 CO 0.23 -0.03 1.03 0.00 -0.54 0.00 0.00 174.62 175.31 1piv s ARG 64 N -2.55 1.58 -0.24 3.99 1.70 -1.26 -0.70 118.95 121.47 1piv s ARG 64 Ca 0.22 -1.03 -0.21 0.00 -0.47 0.00 0.00 55.73 54.24 1piv s ARG 64 Cb -0.09 -2.28 -0.02 0.00 -0.57 0.00 0.00 34.95 31.99 1piv s ARG 64 CO 0.13 -1.55 0.67 -1.58 -1.08 0.00 0.00 175.30 171.89 1piv s HIS 65 N -3.22 3.31 -0.13 5.89 5.65 -1.26 -3.31 115.29 122.22 1piv s HIS 65 Ca 0.67 0.90 -0.00 0.00 0.25 0.00 0.00 55.06 56.88 1piv s HIS 65 Cb -0.05 -2.87 -0.02 0.00 -1.18 0.00 0.00 32.58 28.46 1piv s HIS 65 CO 0.45 -0.30 -0.12 0.08 -0.65 0.00 0.00 174.74 174.20 1piv s VAL 66 N 2.40 3.15 -0.56 0.89 1.01 -0.63 -4.96 120.40 121.70 1piv s VAL 66 Ca 0.28 -0.63 -0.22 0.00 0.00 0.00 0.00 61.98 61.42 1piv s VAL 66 Cb -0.16 -2.33 0.05 0.00 0.00 0.00 0.00 36.38 33.95 1piv s VAL 66 CO 0.09 0.52 0.85 -0.69 0.00 0.00 0.00 175.10 175.87 1piv s VAL 67 N 0.32 4.52 -0.23 2.92 1.01 -1.26 -1.83 120.40 125.85 1piv s VAL 67 Ca -0.10 -0.13 -0.29 0.00 0.00 0.00 0.00 61.98 61.47 1piv s VAL 67 Cb -0.16 -4.50 -0.00 0.00 0.00 0.00 0.00 36.38 31.72 1piv s VAL 67 CO 0.05 -1.11 1.21 -1.58 0.00 0.00 0.00 175.10 173.68 1piv s GLN 68 N 3.56 4.13 -0.01 2.72 2.00 -1.26 -4.94 119.66 125.87 1piv s GLN 68 Ca 0.24 1.42 0.19 0.00 -2.00 0.00 0.00 55.36 55.20 1piv s GLN 68 Cb -0.16 -3.77 -0.23 0.00 0.80 0.00 0.00 33.01 29.65 1piv s GLN 68 CO 0.15 -0.83 0.69 0.54 -0.50 0.00 0.00 175.29 175.34 1piv n ARG 69 N 6.79 0.75 -1.59 1.67 1.74 -1.26 -4.47 116.66 120.29 1piv n ARG 69 Ca 0.14 -0.05 -0.35 0.00 -0.77 0.00 0.00 57.85 56.82 1piv n ARG 69 Cb 0.46 -1.40 0.08 0.00 -1.02 0.00 0.00 32.46 30.57 1piv n ARG 69 CO 0.00 0.00 0.00 1.03 -1.52 0.00 0.00 177.63 177.14 1piv s ARG 70 N -2.92 2.35 0.02 5.56 0.52 -1.26 -4.77 118.95 118.43 1piv s ARG 70 Ca 0.03 1.86 -0.00 0.00 -0.52 0.00 0.00 55.73 57.10 1piv s ARG 70 Cb 0.14 -1.85 -0.02 0.00 0.52 0.00 0.00 34.95 33.74 1piv s ARG 70 CO 0.78 -1.70 -0.02 0.45 0.02 0.00 0.00 175.30 174.83 1piv s SER 71 N -1.80 0.18 -0.14 0.23 0.15 -1.26 -0.67 113.70 110.40 1piv s SER 71 Ca 0.77 -0.38 0.05 0.00 0.70 0.00 0.00 55.95 57.09 1piv s SER 71 Cb -0.32 0.08 0.35 0.00 -1.71 0.00 0.00 66.02 64.42 1piv s SER 71 CO 0.42 -0.23 1.17 0.54 1.20 0.00 0.00 173.24 176.34 1piv n ARG 72 N 1.93 2.41 -0.31 5.44 1.74 -1.26 -4.61 116.66 122.00 1piv n ARG 72 Ca -0.21 -1.40 0.12 0.00 -0.77 0.00 0.00 57.85 55.59 1piv n ARG 72 Cb 0.56 -1.75 0.29 0.00 -1.02 0.00 0.00 32.46 30.54 1piv n ARG 72 CO 0.00 0.00 0.00 0.66 -1.52 0.00 0.00 177.63 176.77 1piv h SER 73 N 1.40 0.43 1.36 0.55 4.64 -1.96 -1.50 113.55 118.47 1piv h SER 73 Ca 0.09 0.13 0.00 0.00 -0.47 0.00 0.00 61.79 61.54 1piv h SER 73 Cb 1.37 0.08 0.00 0.00 -0.31 0.00 0.00 62.40 63.54 1piv h SER 73 CO 0.30 0.08 0.00 1.21 -0.87 0.00 0.00 176.83 177.55 1piv n GLU 74 N -4.97 0.24 -0.32 4.77 2.13 -1.26 -3.50 120.64 117.72 1piv n GLU 74 Ca 0.21 0.23 0.12 0.00 0.66 0.00 0.00 57.16 58.37 1piv n GLU 74 Cb 0.59 -1.80 0.30 0.00 0.27 0.00 0.00 31.44 30.81 1piv n GLU 74 CO 0.00 0.00 0.00 -1.13 -0.41 0.00 0.00 177.13 175.59 1piv n SER 75 N -2.22 3.76 -4.76 4.31 3.41 -0.57 -3.96 113.62 113.60 1piv n SER 75 Ca 0.05 -2.00 -0.39 0.00 -0.26 0.00 0.00 58.87 56.27 1piv n SER 75 Cb 0.40 -0.43 0.02 0.00 -0.26 0.00 0.00 64.21 63.95 1piv n SER 75 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 175.04 175.30 1piv s THR 76 N -1.15 2.12 0.26 6.66 -4.23 -1.21 -4.73 115.64 113.37 1piv s THR 76 Ca 0.46 0.10 -0.03 0.00 -1.18 0.00 0.00 61.69 61.04 1piv s THR 76 Cb 0.25 -3.06 0.27 0.00 1.34 0.00 0.00 72.50 71.30 1piv s THR 76 CO 0.33 0.01 1.66 0.40 -0.54 0.00 0.00 174.62 176.48 1piv h ILE 77 N 1.97 0.42 0.25 2.99 1.08 -1.94 0.04 117.51 122.32 1piv h ILE 77 Ca -0.51 -0.08 0.01 0.00 -0.39 0.00 0.00 64.86 63.89 1piv h ILE 77 Cb 1.28 0.17 -0.02 0.00 -3.07 0.00 0.00 36.82 35.17 1piv h ILE 77 CO 0.60 0.04 -0.29 -0.08 -0.69 0.00 0.00 178.15 177.73 1piv h GLU 78 N 0.23 -0.56 -0.09 2.37 4.57 -1.91 -2.35 114.58 116.84 1piv h GLU 78 Ca 0.47 0.04 -0.01 0.00 -1.18 0.00 0.00 59.36 58.68 1piv h GLU 78 Cb 0.86 0.13 -0.01 0.00 -0.16 0.00 0.00 28.75 29.57 1piv h GLU 78 CO -0.59 -0.37 0.02 0.77 -1.18 0.00 0.00 179.01 177.66 1piv h SER 79 N -0.58 0.11 -0.27 1.04 0.02 -1.34 0.15 113.55 112.67 1piv h SER 79 Ca -0.00 -0.01 -0.12 0.00 -0.84 0.00 0.00 61.79 60.83 1piv h SER 79 Cb 0.55 -0.03 -0.01 0.00 0.14 0.00 0.00 62.40 63.05 1piv h SER 79 CO -0.08 0.11 -0.24 0.15 -1.14 0.00 0.00 176.83 175.62 1piv h PHE 80 N 0.12 0.86 -0.01 3.45 3.57 -0.87 -3.25 116.94 120.82 1piv h PHE 80 Ca 0.03 -0.20 0.00 0.00 3.53 0.00 0.00 57.97 61.33 1piv h PHE 80 Cb 0.05 -0.20 0.00 0.00 2.79 0.00 0.00 35.95 38.59 1piv h PHE 80 CO 0.00 0.92 -0.65 1.19 -2.23 0.00 0.00 178.31 177.54 1piv n PHE 81 N -4.10 0.00 -0.86 0.41 3.72 -0.75 -4.82 117.46 111.05 1piv n PHE 81 Ca -0.00 0.00 -0.30 0.00 -0.05 0.00 0.00 57.45 57.10 1piv n PHE 81 Cb 0.44 -0.04 -0.03 0.00 -0.94 0.00 0.00 39.48 38.91 1piv n PHE 81 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1piv n ALA 82 N -0.80 3.92 -3.64 4.37 0.00 0.44 -4.48 120.51 120.31 1piv n ALA 82 Ca 0.07 -2.43 -0.08 0.00 0.00 0.00 0.00 53.44 51.00 1piv n ALA 82 Cb 0.39 -3.24 -0.08 0.00 0.00 0.00 0.00 19.45 16.52 1piv n ALA 82 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.50 178.00 1piv s ARG 83 N 4.17 0.67 -0.57 0.00 6.06 -1.26 -5.03 118.95 122.98 1piv s ARG 83 Ca 0.45 1.14 -0.28 0.00 -2.50 0.00 0.00 55.73 54.54 1piv s ARG 83 Cb 0.11 0.13 0.01 0.00 0.06 0.00 0.00 34.95 35.27 1piv s ARG 83 CO 0.03 -0.15 1.43 0.20 -2.50 0.00 0.00 175.30 174.32 1piv s GLY 84 N 1.50 0.85 -0.01 8.12 0.00 -1.26 -4.54 107.32 111.98 1piv s GLY 84 Ca -0.09 -0.72 -0.17 0.00 0.00 0.00 0.00 44.72 43.74 1piv s GLY 84 CO -0.17 2.83 0.47 0.00 0.00 0.00 0.00 173.10 176.22 1piv s ALA 85 N 6.19 3.61 -0.34 3.20 0.00 -0.24 -4.71 121.76 129.47 1piv s ALA 85 Ca 0.52 -0.14 -0.28 0.00 0.00 0.00 0.00 51.96 52.05 1piv s ALA 85 Cb -0.11 -2.52 -0.02 0.00 0.00 0.00 0.00 23.12 20.47 1piv s ALA 85 CO 0.24 0.32 1.77 0.00 0.00 0.00 0.00 175.76 178.10 1piv n VAL 87 N 7.38 0.00 -3.54 0.00 0.24 0.02 -4.86 118.33 117.58 1piv n VAL 87 Ca 0.22 -0.30 -0.17 0.00 -2.04 0.00 0.00 64.34 62.06 1piv n VAL 87 Cb 0.47 0.40 -0.06 0.00 -1.47 0.00 0.00 33.84 33.18 1piv n VAL 87 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1piv s ALA 88 N -3.20 -1.79 -0.33 2.33 0.00 -1.21 -4.30 121.76 113.26 1piv s ALA 88 Ca -0.02 1.44 0.04 0.00 0.00 0.00 0.00 51.96 53.42 1piv s ALA 88 Cb 0.14 -0.24 0.09 0.00 0.00 0.00 0.00 23.12 23.11 1piv s ALA 88 CO 0.83 -0.36 0.03 0.42 0.00 0.00 0.00 175.76 176.68 1piv s ILE 89 N -0.98 2.18 -0.27 0.00 1.01 -1.26 -1.09 121.20 120.79 1piv s ILE 89 Ca -0.08 -2.19 -0.15 0.00 0.00 0.00 0.00 60.65 58.23 1piv s ILE 89 Cb -0.01 -2.57 -0.04 0.00 0.01 0.00 0.00 42.46 39.86 1piv s ILE 89 CO 0.08 -0.52 0.36 -0.63 0.00 0.00 0.00 174.94 174.23 1piv s ILE 90 N 0.97 5.18 -0.18 2.92 1.01 0.28 -4.92 121.20 126.46 1piv s ILE 90 Ca 0.08 0.55 -0.13 0.00 0.00 0.00 0.00 60.65 61.15 1piv s ILE 90 Cb -0.19 -3.69 -0.05 0.00 0.01 0.00 0.00 42.46 38.54 1piv s ILE 90 CO -0.08 0.17 0.27 -0.70 0.00 0.00 0.00 174.94 174.59 1piv s GLU 91 N 2.02 4.21 -0.01 2.79 2.12 -1.26 -0.18 118.70 128.38 1piv s GLU 91 Ca 0.15 0.02 0.01 0.00 0.36 0.00 0.00 54.97 55.50 1piv s GLU 91 Cb -0.16 -3.46 0.01 0.00 0.26 0.00 0.00 34.13 30.79 1piv s GLU 91 CO 0.10 0.18 -0.01 0.54 -0.54 0.00 0.00 175.26 175.53 1piv s VAL 92 N 0.66 0.19 0.13 3.70 0.11 -0.09 -4.74 120.40 120.37 1piv s VAL 92 Ca 0.14 -0.02 0.04 0.00 -2.93 0.00 0.00 61.98 59.22 1piv s VAL 92 Cb -0.13 -0.22 -0.04 0.00 -1.53 0.00 0.00 36.38 34.46 1piv s VAL 92 CO 0.04 0.10 0.15 -1.81 -3.33 0.00 0.00 175.10 170.24 1piv s ASP 93 N 0.45 5.69 -0.25 3.54 1.01 0.98 -0.84 116.67 127.24 1piv s ASP 93 Ca -0.04 -0.03 0.01 0.00 0.71 0.00 0.00 52.55 53.20 1piv s ASP 93 Cb -0.07 -1.55 0.07 0.00 1.01 0.00 0.00 42.92 42.37 1piv s ASP 93 CO -0.01 0.10 -0.05 0.21 0.21 0.00 0.00 175.17 175.63 1piv s ASN 94 N -2.90 4.07 0.37 0.27 3.04 -0.36 -4.04 114.94 115.38 1piv s ASN 94 Ca 0.31 -1.33 -0.06 0.00 0.04 0.00 0.00 52.86 51.82 1piv s ASN 94 Cb -0.11 -1.29 0.03 0.00 -1.54 0.00 0.00 41.25 38.34 1piv s ASN 94 CO 0.24 -0.25 0.60 -1.84 -3.04 0.00 0.00 177.10 172.82 1piv n GLU 95 N 4.59 0.86 -1.90 0.43 0.28 -1.26 -1.61 120.64 122.03 1piv n GLU 95 Ca -0.11 -2.65 -0.42 0.00 -0.16 0.00 0.00 57.16 53.82 1piv n GLU 95 Cb 0.43 2.77 -0.03 0.00 1.43 0.00 0.00 31.44 36.04 1piv n GLU 95 CO 0.00 0.00 0.00 -1.14 -0.16 0.00 0.00 177.13 175.83 1piv s GLN 96 N -2.57 4.17 -0.42 3.44 0.74 -1.26 -4.60 119.66 119.16 1piv s GLN 96 Ca 0.25 2.33 -0.27 0.00 0.05 0.00 0.00 55.36 57.72 1piv s GLN 96 Cb -0.02 -3.94 -0.07 0.00 1.10 0.00 0.00 33.01 30.07 1piv s GLN 96 CO 0.18 -0.85 2.37 -2.30 -0.55 0.00 0.00 175.29 174.14 1piv n PRO 97 N 6.89 1.27 0.00 1.67 -0.02 -1.26 -4.96 135.00 138.59 1piv n PRO 97 Ca 0.18 0.15 0.00 0.00 -2.02 0.00 0.00 63.50 61.81 1piv n PRO 97 Cb 0.42 -3.32 0.00 0.00 -0.02 0.00 0.00 33.50 30.58 1piv n PRO 97 CO 0.00 0.00 0.00 0.25 1.98 0.00 0.00 175.50 177.73 1piv n THR 98 N 7.91 0.00 -0.34 3.45 -2.24 -1.26 -5.07 114.28 116.72 1piv n THR 98 Ca 0.36 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 62.14 1piv n THR 98 Cb 0.50 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.73 1piv n THR 98 CO 0.00 0.00 0.00 1.07 -0.57 0.00 0.00 175.07 175.57 1piv n THR 99 N 0.00 0.58 -3.51 4.28 5.66 -1.26 -5.04 114.28 114.99 1piv n THR 99 Ca 0.00 -0.62 -0.21 0.00 -3.05 0.00 0.00 64.05 60.17 1piv n THR 99 Cb 0.00 0.75 -0.01 0.00 -1.55 0.00 0.00 70.33 69.52 1piv n THR 99 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1piv s ARG 100 N -0.58 2.49 0.07 1.09 3.03 -1.26 -5.06 118.95 118.73 1piv s ARG 100 Ca 0.00 -1.60 -0.33 0.00 2.03 0.00 0.00 55.73 55.82 1piv s ARG 100 Cb 0.00 -2.39 -0.12 0.00 -1.03 0.00 0.00 34.95 31.40 1piv s ARG 100 CO 0.00 -0.34 1.73 0.00 -1.13 0.00 0.00 175.30 175.56 1piv n ALA 101 N -1.69 1.37 -2.17 7.88 0.00 -1.26 -4.99 120.51 119.65 1piv n ALA 101 Ca 0.04 0.36 -0.10 0.00 0.00 0.00 0.00 53.44 53.74 1piv n ALA 101 Cb 0.62 -2.45 -0.10 0.00 0.00 0.00 0.00 19.45 17.52 1piv n ALA 101 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 1piv s GLN 102 N 2.36 0.87 -0.65 0.00 -0.21 -1.26 -5.07 119.66 115.70 1piv s GLN 102 Ca 0.84 -1.37 -0.02 0.00 0.02 0.00 0.00 55.36 54.83 1piv s GLN 102 Cb -0.64 -0.07 0.38 0.00 1.00 0.00 0.00 33.01 33.68 1piv s GLN 102 CO 0.42 -0.10 2.07 1.63 -2.12 0.00 0.00 175.29 177.19 1piv n LYS 103 N -0.07 2.57 0.24 2.91 5.02 -1.26 -4.64 118.16 122.94 1piv n LYS 103 Ca -0.10 -3.07 0.16 0.00 -2.02 0.00 0.00 58.31 53.29 1piv n LYS 103 Cb 0.62 -2.19 0.72 0.00 -0.02 0.00 0.00 35.03 34.16 1piv n LYS 103 CO 0.00 0.00 0.00 -0.07 -0.52 0.00 0.00 177.40 176.81 1piv h LEU 104 N 2.34 0.00 -7.70 -0.35 3.38 -1.96 0.28 115.31 111.30 1piv h LEU 104 Ca 0.55 0.00 -0.08 0.00 0.09 0.00 0.00 57.88 58.44 1piv h LEU 104 Cb 0.67 0.00 -0.14 0.00 0.09 0.00 0.00 40.66 41.28 1piv h LEU 104 CO 1.43 0.00 -0.31 0.72 0.09 0.00 0.00 178.44 180.37 1piv s PHE 105 N -3.65 0.05 0.06 1.13 -0.71 -1.26 -4.09 117.98 109.50 1piv s PHE 105 Ca 0.01 -0.41 0.00 0.00 -1.04 0.00 0.00 56.93 55.49 1piv s PHE 105 Cb 0.09 0.02 -0.04 0.00 -1.21 0.00 0.00 43.02 41.88 1piv s PHE 105 CO 0.46 -0.56 -0.04 0.00 -1.34 0.00 0.00 175.22 173.74 1piv s ALA 106 N -3.58 0.59 -0.04 1.99 0.00 0.31 -4.97 121.76 116.06 1piv s ALA 106 Ca 0.02 -1.13 0.03 0.00 0.00 0.00 0.00 51.96 50.89 1piv s ALA 106 Cb 0.03 0.21 0.00 0.00 0.00 0.00 0.00 23.12 23.36 1piv s ALA 106 CO -0.10 -0.28 -0.12 -1.64 0.00 0.00 0.00 175.76 173.62 1piv s MET 107 N -3.38 1.41 -0.13 0.00 -1.94 -1.26 -0.50 119.30 113.50 1piv s MET 107 Ca 0.04 -0.42 0.02 0.00 -1.71 0.00 0.00 55.69 53.62 1piv s MET 107 Cb 0.03 -1.24 0.01 0.00 2.01 0.00 0.00 34.83 35.64 1piv s MET 107 CO -0.07 0.13 -0.21 -0.46 -0.01 0.00 0.00 175.02 174.40 1piv s TRP 108 N 0.29 2.54 -0.09 -0.03 -0.00 -0.02 -4.94 118.94 116.68 1piv s TRP 108 Ca -0.07 -1.27 -0.29 0.00 -0.00 0.00 0.00 56.10 54.47 1piv s TRP 108 Cb -0.12 -1.74 -0.05 0.00 -0.00 0.00 0.00 33.47 31.56 1piv s TRP 108 CO 0.02 -0.59 1.72 1.03 -0.00 0.00 0.00 176.95 179.13 1piv s ARG 109 N 0.84 4.03 -0.08 5.86 1.81 -1.26 -0.92 118.95 129.23 1piv s ARG 109 Ca -0.07 2.12 -0.29 0.00 -1.72 0.00 0.00 55.73 55.76 1piv s ARG 109 Cb -0.15 -4.04 -0.06 0.00 -0.45 0.00 0.00 34.95 30.24 1piv s ARG 109 CO -0.02 -1.03 1.88 0.42 -0.68 0.00 0.00 175.30 175.87 1piv s ILE 110 N 4.59 3.27 -0.05 1.52 1.01 -0.63 -4.96 121.20 125.95 1piv s ILE 110 Ca 0.76 0.31 -0.26 0.00 0.00 0.00 0.00 60.65 61.46 1piv s ILE 110 Cb -0.33 -3.24 0.06 0.00 0.01 0.00 0.00 42.46 38.96 1piv s ILE 110 CO 0.31 -0.07 0.58 0.28 0.00 0.00 0.00 174.94 176.04 1piv s THR 111 N 5.23 0.02 -2.22 2.92 -1.32 -1.26 -4.61 115.64 114.39 1piv s THR 111 Ca 0.84 -0.13 0.21 0.00 -1.21 0.00 0.00 61.69 61.40 1piv s THR 111 Cb -0.35 -0.89 0.48 0.00 -1.51 0.00 0.00 72.50 70.23 1piv s THR 111 CO 0.35 -0.07 1.60 0.00 -2.21 0.00 0.00 174.62 174.30 1piv n TYR 112 N 1.07 0.15 0.68 9.09 0.18 -1.26 -4.49 117.16 122.57 1piv n TYR 112 Ca -0.20 -0.07 0.12 0.00 1.88 0.00 0.00 57.90 59.63 1piv n TYR 112 Cb 0.57 0.00 0.25 0.00 -0.38 0.00 0.00 39.34 39.78 1piv n TYR 112 CO 0.00 0.00 0.00 1.63 -2.08 0.00 0.00 176.86 176.41 1piv n LYS 113 N 0.05 2.26 0.00 -3.48 5.02 -1.26 -4.10 118.16 116.65 1piv n LYS 113 Ca 0.16 -1.89 0.13 0.00 -2.02 0.00 0.00 58.31 54.69 1piv n LYS 113 Cb 0.27 -1.48 0.52 0.00 -0.02 0.00 0.00 35.03 34.32 1piv n LYS 113 CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63 1piv n ASP 114 N 1.14 0.15 -4.45 4.39 8.00 -1.26 -4.85 116.55 119.67 1piv n ASP 114 Ca 0.18 0.26 -0.28 0.00 0.71 0.00 0.00 54.79 55.66 1piv n ASP 114 Cb 0.53 -0.28 -0.12 0.00 -0.02 0.00 0.00 41.12 41.23 1piv n ASP 114 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 1piv s THR 115 N -2.98 2.51 -0.19 -3.53 2.01 -1.26 -5.03 115.64 107.17 1piv s THR 115 Ca 0.14 -1.86 0.03 0.00 0.31 0.00 0.00 61.69 60.31 1piv s THR 115 Cb 0.19 -2.19 -0.21 0.00 0.01 0.00 0.00 72.50 70.30 1piv s THR 115 CO 0.57 -0.04 0.07 1.33 -0.69 0.00 0.00 174.62 175.86 1piv n VAL 116 N 0.44 1.57 0.31 3.82 0.24 -1.26 -4.47 118.33 118.98 1piv n VAL 116 Ca -0.14 -0.66 -0.18 0.00 -2.04 0.00 0.00 64.34 61.32 1piv n VAL 116 Cb 0.55 -1.32 -0.10 0.00 -1.47 0.00 0.00 33.84 31.50 1piv n VAL 116 CO 0.00 0.00 0.00 1.56 -2.14 0.00 0.00 176.83 176.25 1piv h GLN 117 N 0.02 -0.98 -0.79 7.34 4.20 -1.93 -1.74 115.11 121.23 1piv h GLN 117 Ca -0.50 0.07 -0.04 0.00 0.06 0.00 0.00 58.65 58.23 1piv h GLN 117 Cb 2.00 0.22 -0.04 0.00 0.30 0.00 0.00 27.48 29.97 1piv h GLN 117 CO -0.00 -0.65 0.33 1.25 -0.67 0.00 0.00 178.83 179.08 1piv h LEU 118 N -1.02 1.08 -0.63 1.46 5.85 -1.90 -2.93 115.31 117.23 1piv h LEU 118 Ca -0.06 -0.17 0.13 0.00 0.84 0.00 0.00 57.88 58.62 1piv h LEU 118 Cb 0.88 -0.28 -0.11 0.00 0.37 0.00 0.00 40.66 41.52 1piv h LEU 118 CO -0.05 0.95 -0.07 -0.09 -0.34 0.00 0.00 178.44 178.84 1piv h ARG 119 N 1.14 0.06 -0.51 1.25 2.43 -1.67 -0.49 114.38 116.59 1piv h ARG 119 Ca 0.26 -0.00 -0.06 0.00 -0.81 0.00 0.00 59.98 59.37 1piv h ARG 119 Cb 0.20 -0.01 -0.02 0.00 -0.42 0.00 0.00 29.97 29.72 1piv h ARG 119 CO -0.02 0.04 0.05 -0.09 -1.51 0.00 0.00 179.97 178.44 1piv h ARG 120 N 0.06 0.81 -0.19 0.20 2.43 -1.14 -1.11 114.38 115.44 1piv h ARG 120 Ca 0.32 -0.20 -0.02 0.00 -0.81 0.00 0.00 59.98 59.27 1piv h ARG 120 Cb 0.51 -0.11 -0.01 0.00 -0.42 0.00 0.00 29.97 29.94 1piv h ARG 120 CO -0.59 0.78 0.05 0.87 -1.51 0.00 0.00 179.97 179.57 1piv h LYS 121 N 0.77 0.30 -0.17 0.20 1.57 -1.09 -2.82 116.57 115.33 1piv h LYS 121 Ca 0.16 -0.07 -0.01 0.00 -1.87 0.00 0.00 60.65 58.86 1piv h LYS 121 Cb 0.39 -0.04 -0.01 0.00 0.08 0.00 0.00 32.23 32.65 1piv h LYS 121 CO 0.01 0.43 0.06 -0.07 -0.57 0.00 0.00 179.45 179.32 1piv h LEU 122 N 0.12 0.21 0.00 2.94 3.38 -0.97 -2.66 115.31 118.32 1piv h LEU 122 Ca 0.06 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.02 1piv h LEU 122 Cb 0.26 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 40.96 1piv h LEU 122 CO 0.00 0.20 0.00 -0.62 0.09 0.00 0.00 178.44 178.11 1piv n GLU 123 N -4.46 0.94 0.04 1.13 1.02 -0.43 -2.53 120.64 116.35 1piv n GLU 123 Ca -0.00 0.00 0.07 0.00 -0.02 0.00 0.00 57.16 57.21 1piv n GLU 123 Cb 0.12 -1.42 0.32 0.00 -0.02 0.00 0.00 31.44 30.43 1piv n GLU 123 CO 0.00 0.00 0.00 1.19 1.18 0.00 0.00 177.13 179.50 1piv n PHE 124 N -0.92 0.24 -4.29 -0.32 3.01 -1.00 -4.63 117.46 109.54 1piv n PHE 124 Ca 0.19 0.10 -0.21 0.00 1.01 0.00 0.00 57.45 58.54 1piv n PHE 124 Cb 0.09 -0.66 -0.13 0.00 -0.01 0.00 0.00 39.48 38.77 1piv n PHE 124 CO 0.00 0.00 0.00 -0.06 1.01 0.00 0.00 176.76 177.71 1piv s PHE 125 N -3.11 1.40 -0.07 1.38 0.08 -1.05 -0.05 117.98 116.56 1piv s PHE 125 Ca 0.04 -0.41 -0.27 0.00 0.12 0.00 0.00 56.93 56.41 1piv s PHE 125 Cb 0.08 -0.80 -0.23 0.00 -0.57 0.00 0.00 43.02 41.50 1piv s PHE 125 CO 0.24 0.09 1.04 1.15 -0.10 0.00 0.00 175.22 177.64 1piv h THR 126 N 4.31 1.57 -3.95 0.64 2.02 -0.17 -3.44 112.91 113.90 1piv h THR 126 Ca -0.41 -1.75 -0.63 0.00 0.77 0.00 0.00 66.41 64.39 1piv h THR 126 Cb 1.18 2.74 -0.22 0.00 -1.74 0.00 0.00 68.15 70.11 1piv h THR 126 CO 0.41 0.46 -0.85 -0.31 0.37 0.00 0.00 175.52 175.60 1piv s TYR 127 N -3.28 2.06 0.05 3.16 2.02 -0.65 -0.59 117.35 120.12 1piv s TYR 127 Ca -0.17 -0.40 -0.07 0.00 -0.37 0.00 0.00 57.07 56.06 1piv s TYR 127 Cb -0.00 -1.13 -0.01 0.00 -0.40 0.00 0.00 41.96 40.42 1piv s TYR 127 CO 0.69 0.26 0.13 -1.54 -1.57 0.00 0.00 175.55 173.53 1piv s SER 128 N -1.91 0.16 -0.07 2.29 1.04 -0.23 -0.81 113.70 114.16 1piv s SER 128 Ca 0.10 -0.57 -0.03 0.00 0.48 0.00 0.00 55.95 55.94 1piv s SER 128 Cb -0.10 0.27 0.04 0.00 0.10 0.00 0.00 66.02 66.33 1piv s SER 128 CO 0.05 -0.59 0.15 -0.60 0.98 0.00 0.00 173.24 173.23 1piv s ARG 129 N -3.05 0.05 0.04 4.02 3.52 -0.20 0.66 118.95 123.98 1piv s ARG 129 Ca -0.01 0.47 -0.27 0.00 -0.13 0.00 0.00 55.73 55.78 1piv s ARG 129 Cb 0.01 -0.24 0.09 0.00 -1.56 0.00 0.00 34.95 33.25 1piv s ARG 129 CO -0.07 -0.25 0.80 -0.59 -0.81 0.00 0.00 175.30 174.39 1piv s PHE 130 N 1.80 -0.41 0.37 5.12 -0.12 -1.26 -0.99 117.98 122.49 1piv s PHE 130 Ca -0.02 0.28 -0.13 0.00 -0.05 0.00 0.00 56.93 57.01 1piv s PHE 130 Cb -0.12 0.54 -0.08 0.00 -0.63 0.00 0.00 43.02 42.73 1piv s PHE 130 CO -0.06 -0.63 0.76 -0.51 -0.05 0.00 0.00 175.22 174.74 1piv s ASP 131 N -2.48 6.64 -0.11 1.98 1.01 0.05 -3.82 116.67 119.94 1piv s ASP 131 Ca 0.03 1.21 0.02 0.00 0.71 0.00 0.00 52.55 54.53 1piv s ASP 131 Cb -0.01 -2.35 0.01 0.00 1.01 0.00 0.00 42.92 41.58 1piv s ASP 131 CO -0.09 -0.32 -0.17 -0.32 0.21 0.00 0.00 175.17 174.48 1piv s MET 132 N -3.45 2.37 -0.24 8.23 1.75 0.06 -0.57 119.30 127.44 1piv s MET 132 Ca 0.53 -0.62 -0.13 0.00 -1.25 0.00 0.00 55.69 54.22 1piv s MET 132 Cb -0.10 -1.97 -0.04 0.00 2.84 0.00 0.00 34.83 35.55 1piv s MET 132 CO 0.25 -0.04 0.29 -2.00 -0.65 0.00 0.00 175.02 172.87 1piv s GLU 133 N 0.91 4.07 -0.27 4.11 2.12 -0.06 -0.44 118.70 129.14 1piv s GLU 133 Ca -0.08 -0.05 -0.09 0.00 0.36 0.00 0.00 54.97 55.12 1piv s GLU 133 Cb -0.15 -3.58 -0.03 0.00 0.26 0.00 0.00 34.13 30.63 1piv s GLU 133 CO -0.01 -0.09 0.12 -0.06 -0.54 0.00 0.00 175.26 174.68 1piv s PHE 134 N 1.49 3.14 -0.10 5.30 0.40 0.34 -1.16 117.98 127.39 1piv s PHE 134 Ca 0.13 -0.35 0.02 0.00 -0.60 0.00 0.00 56.93 56.13 1piv s PHE 134 Cb -0.15 -2.30 -0.02 0.00 0.51 0.00 0.00 43.02 41.07 1piv s PHE 134 CO 0.08 -0.34 -0.16 0.99 0.70 0.00 0.00 175.22 176.49 1piv s THR 135 N 1.64 2.87 -0.31 0.64 2.01 0.06 -1.37 115.64 121.18 1piv s THR 135 Ca 0.06 -0.75 -0.04 0.00 0.31 0.00 0.00 61.69 61.27 1piv s THR 135 Cb -0.16 -2.16 0.04 0.00 0.01 0.00 0.00 72.50 70.23 1piv s THR 135 CO 0.06 0.55 0.04 -0.36 -0.69 0.00 0.00 174.62 174.22 1piv s PHE 136 N 0.03 3.23 -0.28 4.92 0.40 0.67 -0.71 117.98 126.26 1piv s PHE 136 Ca -0.06 -1.59 -0.14 0.00 -0.60 0.00 0.00 56.93 54.54 1piv s PHE 136 Cb -0.15 -2.18 -0.04 0.00 0.51 0.00 0.00 43.02 41.16 1piv s PHE 136 CO 0.05 -0.75 0.35 0.08 0.70 0.00 0.00 175.22 175.64 1piv s VAL 137 N 1.34 5.19 -0.18 -0.44 1.01 -0.30 -2.69 120.40 124.33 1piv s VAL 137 Ca -0.03 0.48 -0.02 0.00 0.00 0.00 0.00 61.98 62.41 1piv s VAL 137 Cb -0.19 -3.68 -0.01 0.00 0.00 0.00 0.00 36.38 32.50 1piv s VAL 137 CO 0.01 0.16 -0.10 -0.69 0.00 0.00 0.00 175.10 174.48 1piv s VAL 138 N 2.02 3.06 0.06 2.92 1.01 -1.26 -0.62 120.40 127.60 1piv s VAL 138 Ca 0.14 -0.62 0.09 0.00 0.00 0.00 0.00 61.98 61.59 1piv s VAL 138 Cb -0.16 -2.34 -0.03 0.00 0.00 0.00 0.00 36.38 33.85 1piv s VAL 138 CO 0.10 0.48 -0.24 0.42 0.00 0.00 0.00 175.10 175.85 1piv s THR 139 N 1.06 1.99 0.06 3.92 -4.23 -0.57 -4.82 115.64 113.04 1piv s THR 139 Ca -0.00 -1.41 -0.03 0.00 -1.18 0.00 0.00 61.69 59.07 1piv s THR 139 Cb -0.15 -1.72 -0.03 0.00 1.34 0.00 0.00 72.50 71.94 1piv s THR 139 CO -0.02 0.24 0.03 0.00 -0.54 0.00 0.00 174.62 174.33 1piv s ALA 140 N -0.88 0.28 0.17 3.99 0.00 -1.26 -0.61 121.76 123.45 1piv s ALA 140 Ca 0.10 -1.01 -0.12 0.00 0.00 0.00 0.00 51.96 50.93 1piv s ALA 140 Cb -0.10 0.32 0.01 0.00 0.00 0.00 0.00 23.12 23.35 1piv s ALA 140 CO 0.03 -0.40 0.37 0.54 0.00 0.00 0.00 175.76 176.30 1piv s ASN 141 N -2.83 -0.08 0.07 0.00 4.22 -0.17 -5.00 114.94 111.16 1piv s ASN 141 Ca 0.05 -0.69 -0.25 0.00 -2.14 0.00 0.00 52.86 49.83 1piv s ASN 141 Cb 0.06 0.48 -0.06 0.00 1.28 0.00 0.00 41.25 43.02 1piv s ASN 141 CO -0.10 -0.94 0.78 -0.36 -2.04 0.00 0.00 177.10 174.44 1piv s PHE 142 N -3.92 3.77 -0.12 1.54 0.08 -1.26 -1.67 117.98 116.40 1piv s PHE 142 Ca 0.13 1.52 -0.25 0.00 0.12 0.00 0.00 56.93 58.46 1piv s PHE 142 Cb 0.02 -2.83 -0.22 0.00 -0.57 0.00 0.00 43.02 39.42 1piv s PHE 142 CO -0.02 0.31 0.73 1.15 -0.10 0.00 0.00 175.22 177.28 1piv h THR 143 N 3.98 1.49 -3.01 0.64 2.02 -1.92 -3.48 112.91 112.63 1piv h THR 143 Ca -0.44 -2.01 -0.65 0.00 0.77 0.00 0.00 66.41 64.08 1piv h THR 143 Cb 1.21 2.77 -0.08 0.00 -1.74 0.00 0.00 68.15 70.30 1piv h THR 143 CO 0.70 0.49 -0.55 0.20 0.37 0.00 0.00 175.52 176.73 1piv s ASN 144 N -6.05 5.90 0.28 4.18 0.01 -1.26 -5.03 114.94 112.98 1piv s ASN 144 Ca -0.16 0.19 -0.03 0.00 -0.71 0.00 0.00 52.86 52.15 1piv s ASN 144 Cb -0.02 -1.74 0.59 0.00 0.41 0.00 0.00 41.25 40.49 1piv s ASN 144 CO 0.59 0.25 1.48 0.00 -1.51 0.00 0.00 177.10 177.92 1piv n ALA 145 N 0.96 0.36 0.00 0.60 0.00 -1.26 -4.66 120.51 116.51 1piv n ALA 145 Ca -0.11 1.03 0.00 0.00 0.00 0.00 0.00 53.44 54.36 1piv n ALA 145 Cb 0.52 -0.69 0.00 0.00 0.00 0.00 0.00 19.45 19.29 1piv n ALA 145 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 1piv n ASN 146 N -5.47 0.00 -2.48 0.00 4.05 -1.26 -5.03 115.26 105.06 1piv n ASN 146 Ca 0.19 0.00 -0.27 0.00 0.45 0.00 0.00 54.58 54.95 1piv n ASN 146 Cb 0.61 0.00 0.00 0.00 1.23 0.00 0.00 39.78 41.62 1piv n ASN 146 CO 0.00 0.00 0.00 0.59 -3.05 0.00 0.00 177.26 174.80 1piv n ASN 147 N 0.00 4.68 0.00 1.20 4.13 -1.26 -5.10 115.26 118.90 1piv n ASN 147 Ca 0.00 -3.71 0.00 0.00 1.68 0.00 0.00 54.58 52.55 1piv n ASN 147 Cb 0.00 -0.46 0.00 0.00 -1.54 0.00 0.00 39.78 37.78 1piv n ASN 147 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1piv n GLY 148 N -0.47 -1.40 0.00 7.41 0.00 -1.26 -3.57 105.19 105.90 1piv n GLY 148 Ca 0.39 -1.39 0.00 0.00 0.00 0.00 0.00 46.02 45.01 1piv n GLY 148 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1piv n HIS 149 N 0.00 0.00 -4.12 1.61 -0.00 -1.26 -4.83 115.22 106.62 1piv n HIS 149 Ca 0.00 0.00 -0.15 0.00 -0.00 0.00 0.00 57.72 57.57 1piv n HIS 149 Cb 0.00 0.00 -0.12 0.00 -0.00 0.00 0.00 29.99 29.87 1piv n HIS 149 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 1piv s ALA 150 N -2.00 0.59 0.51 -1.41 0.00 -1.26 -4.65 121.76 113.54 1piv s ALA 150 Ca 0.00 -0.61 -0.06 0.00 0.00 0.00 0.00 51.96 51.29 1piv s ALA 150 Cb 0.00 -0.02 -0.03 0.00 0.00 0.00 0.00 23.12 23.06 1piv s ALA 150 CO 0.00 0.04 0.82 -0.51 0.00 0.00 0.00 175.76 176.12 1piv s LEU 151 N -1.11 3.55 0.13 0.00 1.43 -1.26 -4.99 118.68 116.42 1piv s LEU 151 Ca -0.05 0.97 -0.35 0.00 -1.03 0.00 0.00 54.13 53.67 1piv s LEU 151 Cb -0.07 -3.93 -0.15 0.00 0.03 0.00 0.00 46.19 42.07 1piv s LEU 151 CO 0.00 -0.65 1.47 -3.20 0.23 0.00 0.00 176.35 174.20 1piv n ASN 152 N -2.35 2.43 -4.84 2.29 5.15 -1.26 -4.96 115.26 111.72 1piv n ASN 152 Ca 0.02 1.10 -0.37 0.00 -0.60 0.00 0.00 54.58 54.72 1piv n ASN 152 Cb 0.55 -1.32 -0.06 0.00 -0.53 0.00 0.00 39.78 38.42 1piv n ASN 152 CO 0.00 0.00 0.00 -1.10 1.40 0.00 0.00 177.26 177.56 1piv s GLN 153 N 0.71 3.87 -0.22 1.20 -0.21 -1.26 -4.94 119.66 118.81 1piv s GLN 153 Ca 0.81 0.35 -0.09 0.00 0.02 0.00 0.00 55.36 56.45 1piv s GLN 153 Cb -0.81 -3.19 -0.04 0.00 1.00 0.00 0.00 33.01 29.97 1piv s GLN 153 CO 0.42 0.68 0.12 0.08 -2.12 0.00 0.00 175.29 174.46 1piv s VAL 154 N -1.12 5.08 -0.12 1.09 1.01 -1.26 -0.92 120.40 124.15 1piv s VAL 154 Ca 0.25 0.08 -0.05 0.00 0.00 0.00 0.00 61.98 62.25 1piv s VAL 154 Cb -0.16 -3.34 -0.04 0.00 0.00 0.00 0.00 36.38 32.84 1piv s VAL 154 CO 0.14 0.40 0.06 -0.31 0.00 0.00 0.00 175.10 175.38 1piv s TYR 155 N 0.79 3.32 -0.19 5.22 1.51 0.95 -0.26 117.35 128.70 1piv s TYR 155 Ca 0.06 0.26 -0.05 0.00 -1.01 0.00 0.00 57.07 56.33 1piv s TYR 155 Cb -0.13 -1.92 -0.03 0.00 -0.11 0.00 0.00 41.96 39.78 1piv s TYR 155 CO 0.02 0.46 0.01 -1.14 -1.11 0.00 0.00 175.55 173.79 1piv s GLN 156 N -0.57 3.68 -0.36 -0.62 0.74 0.10 -0.38 119.66 122.24 1piv s GLN 156 Ca 0.11 -0.49 -0.02 0.00 0.05 0.00 0.00 55.36 55.01 1piv s GLN 156 Cb -0.12 -3.08 0.09 0.00 1.10 0.00 0.00 33.01 31.00 1piv s GLN 156 CO 0.02 0.09 0.11 0.42 -0.55 0.00 0.00 175.29 175.38 1piv s ILE 157 N 0.80 3.10 -0.24 -2.34 1.01 0.02 -1.36 121.20 122.20 1piv s ILE 157 Ca 0.01 -1.81 -0.11 0.00 0.00 0.00 0.00 60.65 58.74 1piv s ILE 157 Cb -0.14 -3.01 -0.05 0.00 0.01 0.00 0.00 42.46 39.27 1piv s ILE 157 CO 0.02 -0.46 0.17 -0.32 0.00 0.00 0.00 174.94 174.35 1piv s MET 158 N 1.17 4.07 -0.04 2.79 1.75 0.32 -0.59 119.30 128.78 1piv s MET 158 Ca 0.03 -0.25 -0.28 0.00 -1.25 0.00 0.00 55.69 53.94 1piv s MET 158 Cb -0.21 -3.54 -0.03 0.00 2.84 0.00 0.00 34.83 33.89 1piv s MET 158 CO -0.03 0.06 0.90 -0.47 -0.65 0.00 0.00 175.02 174.82 1piv s TYR 159 N 1.06 3.61 -0.40 4.11 5.04 -0.22 -0.71 117.35 129.85 1piv s TYR 159 Ca 0.08 1.54 0.04 0.00 -2.44 0.00 0.00 57.07 56.29 1piv s TYR 159 Cb -0.14 -3.03 0.11 0.00 0.35 0.00 0.00 41.96 39.25 1piv s TYR 159 CO 0.05 -0.01 0.12 0.42 -1.34 0.00 0.00 175.55 174.79 1piv s ILE 160 N 1.09 2.42 0.57 3.14 1.01 0.07 -4.24 121.20 125.26 1piv s ILE 160 Ca 0.47 -2.64 -0.19 0.00 0.00 0.00 0.00 60.65 58.29 1piv s ILE 160 Cb -0.20 -2.75 -0.04 0.00 0.01 0.00 0.00 42.46 39.48 1piv s ILE 160 CO 0.24 -0.67 1.18 -2.16 0.00 0.00 0.00 174.94 173.53 1piv s PRO 161 N 0.54 3.11 -0.23 2.79 0.04 -1.26 -1.95 135.00 138.05 1piv s PRO 161 Ca 0.13 1.75 -0.34 0.00 0.04 0.00 0.00 61.00 62.58 1piv s PRO 161 Cb -0.21 -1.96 -0.11 0.00 0.04 0.00 0.00 34.50 32.27 1piv s PRO 161 CO -0.05 -1.08 2.06 -2.30 0.04 0.00 0.00 177.00 175.67 1piv n PRO 162 N -1.48 1.64 0.00 0.56 -0.02 -1.26 -1.84 135.00 132.59 1piv n PRO 162 Ca 0.13 0.52 0.00 0.00 -2.02 0.00 0.00 63.50 62.13 1piv n PRO 162 Cb 0.50 -2.65 0.00 0.00 -0.02 0.00 0.00 33.50 31.33 1piv n PRO 162 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1piv n GLY 163 N 5.50 2.00 3.76 -1.23 0.00 -1.26 -5.07 105.19 108.88 1piv n GLY 163 Ca 0.32 -0.39 -0.36 0.00 0.00 0.00 0.00 46.02 45.58 1piv n GLY 163 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1piv s ALA 164 N -0.36 2.62 0.16 4.61 0.00 -0.77 -4.96 121.76 123.06 1piv s ALA 164 Ca 0.00 0.97 -0.32 0.00 0.00 0.00 0.00 51.96 52.61 1piv s ALA 164 Cb 0.00 -3.43 -0.11 0.00 0.00 0.00 0.00 23.12 19.58 1piv s ALA 164 CO 0.00 -1.03 1.78 -0.35 0.00 0.00 0.00 175.76 176.16 1piv n PRO 165 N -1.43 2.76 -3.33 0.00 -0.04 -1.26 -4.94 135.00 126.76 1piv n PRO 165 Ca 0.13 1.00 -0.38 0.00 -0.04 0.00 0.00 63.50 64.20 1piv n PRO 165 Cb 0.50 -2.87 -0.06 0.00 -0.04 0.00 0.00 33.50 31.03 1piv n PRO 165 CO 0.00 0.00 0.00 0.95 -0.04 0.00 0.00 175.50 176.41 1piv s THR 166 N 2.00 4.94 0.35 0.52 -4.23 -1.26 -4.95 115.64 113.01 1piv s THR 166 Ca 0.79 1.07 -0.28 0.00 -1.18 0.00 0.00 61.69 62.09 1piv s THR 166 Cb -0.50 -3.84 -0.11 0.00 1.34 0.00 0.00 72.50 69.38 1piv s THR 166 CO 0.35 0.49 1.49 -0.81 -0.54 0.00 0.00 174.62 175.60 1piv n PRO 167 N 2.34 2.61 -0.01 3.99 -0.04 -1.26 -4.92 135.00 137.72 1piv n PRO 167 Ca -0.10 0.92 0.11 0.00 -0.04 0.00 0.00 63.50 64.39 1piv n PRO 167 Cb 0.51 -2.64 -0.17 0.00 -0.04 0.00 0.00 33.50 31.16 1piv n PRO 167 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 1piv n LYS 168 N 0.82 0.66 -4.08 0.54 4.76 -1.26 -5.02 118.16 114.58 1piv n LYS 168 Ca 0.03 -0.19 -0.14 0.00 -2.87 0.00 0.00 58.31 55.15 1piv n LYS 168 Cb 0.38 -1.53 -0.12 0.00 -1.84 0.00 0.00 35.03 31.92 1piv n LYS 168 CO 0.00 0.00 0.00 0.45 -1.37 0.00 0.00 177.40 176.48 1piv s SER 169 N -4.56 0.75 0.57 4.39 0.15 -1.26 -5.04 113.70 108.70 1piv s SER 169 Ca -0.08 -0.41 0.30 0.00 0.70 0.00 0.00 55.95 56.46 1piv s SER 169 Cb 0.14 0.01 1.75 0.00 -1.71 0.00 0.00 66.02 66.20 1piv s SER 169 CO 0.91 -0.13 2.20 4.11 1.20 0.00 0.00 173.24 181.53 1piv h TRP 170 N 4.95 0.00 -1.04 3.44 5.08 -1.96 -3.04 115.95 123.39 1piv h TRP 170 Ca -0.33 0.00 -0.46 0.00 1.08 0.00 0.00 58.89 59.18 1piv h TRP 170 Cb 1.20 0.00 -0.41 0.00 -3.00 0.00 0.00 29.16 26.95 1piv h TRP 170 CO 0.58 0.04 -0.94 -3.47 -1.28 0.00 0.00 178.44 173.37 1piv n ASP 171 N -3.71 3.34 -4.24 0.11 2.03 -1.26 -4.98 116.55 107.85 1piv n ASP 171 Ca -0.03 -3.17 -0.24 0.00 0.52 0.00 0.00 54.79 51.87 1piv n ASP 171 Cb 0.14 -0.46 0.14 0.00 -0.72 0.00 0.00 41.12 40.22 1piv n ASP 171 CO 0.00 0.00 0.00 -0.90 -1.92 0.00 0.00 177.20 174.38 1piv n ASP 172 N -0.43 0.88 0.03 1.67 5.68 -1.15 -4.99 116.55 118.24 1piv n ASP 172 Ca 0.27 -1.88 0.19 0.00 -0.50 0.00 0.00 54.79 52.87 1piv n ASP 172 Cb 0.79 -0.75 0.69 0.00 -1.14 0.00 0.00 41.12 40.71 1piv n ASP 172 CO 0.00 0.00 0.00 0.10 -1.33 0.00 0.00 177.20 175.97 1piv h TYR 173 N -1.00 0.00 -0.74 2.11 -0.00 -1.98 -2.99 116.97 112.37 1piv h TYR 173 Ca -0.35 0.00 0.12 0.00 -0.00 0.00 0.00 58.73 58.49 1piv h TYR 173 Cb 1.17 0.00 -0.05 0.00 -0.00 0.00 0.00 36.73 37.85 1piv h TYR 173 CO 0.00 0.00 0.49 1.79 -0.00 0.00 0.00 178.16 180.44 1piv h THR 174 N 0.00 0.87 0.00 -0.90 1.35 -1.94 -0.16 112.91 112.14 1piv h THR 174 Ca 0.22 -0.18 0.00 0.00 -0.55 0.00 0.00 66.41 65.90 1piv h THR 174 Cb 0.89 0.29 0.00 0.00 -1.73 0.00 0.00 68.15 67.60 1piv h THR 174 CO -0.00 0.10 0.00 0.79 -0.25 0.00 0.00 175.52 176.16 1piv n TRP 175 N -4.49 0.33 0.31 4.73 7.02 -1.13 -1.71 117.44 122.51 1piv n TRP 175 Ca 0.13 0.16 0.18 0.00 -1.02 0.00 0.00 57.50 56.94 1piv n TRP 175 Cb 0.42 -0.75 0.95 0.00 -2.42 0.00 0.00 31.31 29.51 1piv n TRP 175 CO 0.00 0.00 0.00 1.96 -2.02 0.00 0.00 177.69 177.63 1piv h GLN 176 N 0.00 0.00 -6.85 -0.99 4.20 -1.23 -3.46 115.11 106.79 1piv h GLN 176 Ca 0.00 0.00 -0.57 0.00 0.06 0.00 0.00 58.65 58.14 1piv h GLN 176 Cb 0.12 0.00 -0.33 0.00 0.30 0.00 0.00 27.48 27.57 1piv h GLN 176 CO 0.00 0.00 -0.84 -2.37 -0.67 0.00 0.00 178.83 174.95 1piv n THR 177 N -2.86 -0.14 0.26 -0.54 5.66 -0.69 -4.84 114.28 111.13 1piv n THR 177 Ca -0.02 -0.07 0.11 0.00 -3.05 0.00 0.00 64.05 61.01 1piv n THR 177 Cb 0.21 -0.53 0.69 0.00 -1.55 0.00 0.00 70.33 69.15 1piv n THR 177 CO 0.00 0.00 0.00 0.77 -3.05 0.00 0.00 175.07 172.79 1piv h SER 178 N -0.91 0.00 0.00 1.09 4.64 -1.89 -3.29 113.55 113.19 1piv h SER 178 Ca -0.56 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.76 1piv h SER 178 Cb 1.27 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.36 1piv h SER 178 CO 0.79 0.11 -0.70 -1.20 -0.87 0.00 0.00 176.83 174.96 1piv n SER 179 N -3.94 3.50 -4.77 4.97 7.64 -1.26 -5.05 113.62 114.71 1piv n SER 179 Ca -0.02 0.00 -0.39 0.00 1.01 0.00 0.00 58.87 59.47 1piv n SER 179 Cb 0.20 0.54 -0.04 0.00 -1.01 0.00 0.00 64.21 63.90 1piv n SER 179 CO 0.00 0.00 0.00 0.20 -3.01 0.00 0.00 175.04 172.23 1piv s ASN 180 N -1.86 7.02 0.12 6.43 0.01 -1.24 -5.02 114.94 120.40 1piv s ASN 180 Ca 0.00 2.17 -0.31 0.00 -0.71 0.00 0.00 52.86 54.02 1piv s ASN 180 Cb 0.00 -2.61 -0.07 0.00 0.41 0.00 0.00 41.25 38.98 1piv s ASN 180 CO 0.00 -0.31 1.28 -2.16 -1.51 0.00 0.00 177.10 174.40 1piv s PRO 181 N -1.92 4.40 0.00 -0.60 0.04 -1.26 -4.87 135.00 130.79 1piv s PRO 181 Ca 0.51 1.93 0.04 0.00 0.04 0.00 0.00 61.00 63.51 1piv s PRO 181 Cb -0.28 -3.28 -0.01 0.00 0.04 0.00 0.00 34.50 30.97 1piv s PRO 181 CO 0.35 -0.29 -0.12 -1.12 0.04 0.00 0.00 177.00 175.85 1piv s SER 182 N 0.84 1.46 -0.21 6.66 0.01 -1.26 -1.05 113.70 120.15 1piv s SER 182 Ca 0.60 -0.28 -0.10 0.00 1.31 0.00 0.00 55.95 57.49 1piv s SER 182 Cb -0.33 -0.14 -0.05 0.00 0.21 0.00 0.00 66.02 65.71 1piv s SER 182 CO 0.32 0.12 0.12 -0.63 0.41 0.00 0.00 173.24 173.58 1piv s ILE 183 N -0.42 5.23 -0.52 1.44 -1.09 0.25 -4.94 121.20 121.14 1piv s ILE 183 Ca 0.04 0.13 -0.14 0.00 -2.23 0.00 0.00 60.65 58.44 1piv s ILE 183 Cb -0.05 -3.40 0.12 0.00 -1.58 0.00 0.00 42.46 37.55 1piv s ILE 183 CO -0.00 0.41 0.45 -0.36 -1.23 0.00 0.00 174.94 174.22 1piv s PHE 184 N 0.61 3.29 -0.20 3.97 0.08 -1.26 -0.80 117.98 123.67 1piv s PHE 184 Ca 0.07 -1.40 -0.19 0.00 0.12 0.00 0.00 56.93 55.52 1piv s PHE 184 Cb -0.12 -3.67 -0.03 0.00 -0.57 0.00 0.00 43.02 38.63 1piv s PHE 184 CO 0.01 -1.00 0.56 -0.47 -0.10 0.00 0.00 175.22 174.22 1piv s TYR 185 N 1.55 3.36 -0.15 0.36 5.04 0.48 -4.91 117.35 123.09 1piv s TYR 185 Ca 0.04 0.82 -0.22 0.00 -2.44 0.00 0.00 57.07 55.26 1piv s TYR 185 Cb -0.29 -2.72 -0.03 0.00 0.35 0.00 0.00 41.96 39.27 1piv s TYR 185 CO 0.02 -0.15 0.69 0.99 -1.34 0.00 0.00 175.55 175.76 1piv s THR 186 N 1.80 5.01 0.24 4.34 2.01 -1.26 -0.03 115.64 127.74 1piv s THR 186 Ca 0.26 1.35 -0.31 0.00 0.31 0.00 0.00 61.69 63.29 1piv s THR 186 Cb -0.16 -4.01 -0.13 0.00 0.01 0.00 0.00 72.50 68.21 1piv s THR 186 CO 0.10 0.15 1.44 0.00 -0.69 0.00 0.00 174.62 175.61 1piv n TYR 187 N 4.60 2.22 0.00 4.92 9.36 -0.10 -2.32 117.16 135.84 1piv n TYR 187 Ca -0.00 0.41 0.00 0.00 3.32 0.00 0.00 57.90 61.62 1piv n TYR 187 Cb 0.50 -2.48 0.00 0.00 -0.63 0.00 0.00 39.34 36.73 1piv n TYR 187 CO 0.00 0.00 0.00 0.41 0.22 0.00 0.00 176.86 177.49 1piv n GLY 188 N 2.26 3.42 3.79 2.98 0.00 -1.26 -4.89 105.19 111.49 1piv n GLY 188 Ca 0.12 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.84 1piv n GLY 188 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1piv s ALA 189 N -2.76 2.00 0.57 4.61 0.00 -0.98 -4.99 121.76 120.20 1piv s ALA 189 Ca 0.00 -0.28 -0.21 0.00 0.00 0.00 0.00 51.96 51.47 1piv s ALA 189 Cb 0.00 -3.10 -0.04 0.00 0.00 0.00 0.00 23.12 19.98 1piv s ALA 189 CO 0.00 -1.98 1.33 0.00 0.00 0.00 0.00 175.76 175.11 1piv n ALA 190 N -3.60 1.44 -1.59 0.00 0.00 -1.26 -4.86 120.51 110.64 1piv n ALA 190 Ca 0.07 0.10 -0.49 0.00 0.00 0.00 0.00 53.44 53.12 1piv n ALA 190 Cb 0.57 -2.34 -0.04 0.00 0.00 0.00 0.00 19.45 17.64 1piv n ALA 190 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 1piv n PRO 191 N -1.16 1.22 -1.76 0.00 -0.02 -1.26 -4.91 135.00 127.10 1piv n PRO 191 Ca 0.12 0.44 -0.41 0.00 -2.02 0.00 0.00 63.50 61.62 1piv n PRO 191 Cb 0.45 -1.98 -0.00 0.00 -0.02 0.00 0.00 33.50 31.95 1piv n PRO 191 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1piv n ALA 192 N 1.77 2.31 -3.74 3.55 0.00 -1.09 -4.73 120.51 118.57 1piv n ALA 192 Ca 0.16 0.35 -0.16 0.00 0.00 0.00 0.00 53.44 53.78 1piv n ALA 192 Cb 0.24 -2.41 -0.16 0.00 0.00 0.00 0.00 19.45 17.11 1piv n ALA 192 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.50 178.00 1piv s ARG 193 N -1.70 -0.04 0.11 0.00 3.52 -1.26 -0.24 118.95 119.34 1piv s ARG 193 Ca 0.56 0.26 0.03 0.00 -0.13 0.00 0.00 55.73 56.45 1piv s ARG 193 Cb -0.49 -0.32 -0.04 0.00 -1.56 0.00 0.00 34.95 32.54 1piv s ARG 193 CO 0.60 -0.22 -0.09 0.96 -0.81 0.00 0.00 175.30 175.75 1piv s ILE 194 N 1.41 0.92 0.05 4.11 -5.25 -0.47 -5.01 121.20 116.97 1piv s ILE 194 Ca -0.05 -1.86 0.07 0.00 -0.99 0.00 0.00 60.65 57.82 1piv s ILE 194 Cb -0.13 -1.60 -0.03 0.00 2.95 0.00 0.00 42.46 43.65 1piv s ILE 194 CO -0.03 -0.72 -0.16 -0.44 -1.79 0.00 0.00 174.94 171.80 1piv s SER 195 N -2.85 3.95 -0.02 4.36 0.01 -1.26 -0.51 113.70 117.38 1piv s SER 195 Ca 0.11 -0.41 0.05 0.00 1.31 0.00 0.00 55.95 57.01 1piv s SER 195 Cb 0.01 -0.67 -0.01 0.00 0.21 0.00 0.00 66.02 65.56 1piv s SER 195 CO -0.01 0.24 -0.19 -0.69 0.41 0.00 0.00 173.24 173.00 1piv s VAL 196 N -0.99 1.50 1.28 3.43 1.01 0.41 -4.99 120.40 122.05 1piv s VAL 196 Ca 0.16 -0.80 -0.21 0.00 0.00 0.00 0.00 61.98 61.13 1piv s VAL 196 Cb -0.11 -1.26 0.32 0.00 0.00 0.00 0.00 36.38 35.33 1piv s VAL 196 CO 0.07 0.43 1.07 -2.16 0.00 0.00 0.00 175.10 174.50 1piv s PRO 197 N -0.32 -1.83 -0.49 2.72 0.04 -1.26 -0.76 135.00 133.10 1piv s PRO 197 Ca 0.04 -0.08 -0.28 0.00 0.04 0.00 0.00 61.00 60.72 1piv s PRO 197 Cb -0.09 -1.53 0.01 0.00 0.04 0.00 0.00 34.50 32.94 1piv s PRO 197 CO 0.00 -4.11 1.44 -0.47 0.04 0.00 0.00 177.00 173.90 1piv s TYR 198 N -2.83 2.30 -0.68 0.56 5.04 -1.25 -4.41 117.35 116.08 1piv s TYR 198 Ca 0.71 0.58 0.16 0.00 -2.44 0.00 0.00 57.07 56.08 1piv s TYR 198 Cb -0.09 -4.34 0.62 0.00 0.35 0.00 0.00 41.96 38.50 1piv s TYR 198 CO 0.56 -2.02 1.54 1.33 -1.34 0.00 0.00 175.55 175.62 1piv n VAL 199 N 7.00 2.00 -2.33 3.14 0.24 -1.26 -5.03 118.33 122.09 1piv n VAL 199 Ca 0.15 -1.40 -0.36 0.00 -2.04 0.00 0.00 64.34 60.69 1piv n VAL 199 Cb 0.49 0.01 -0.01 0.00 -1.47 0.00 0.00 33.84 32.85 1piv n VAL 199 CO 0.00 0.00 0.00 -0.83 -2.14 0.00 0.00 176.83 173.86 1piv s GLY 200 N -1.19 2.69 0.38 7.63 0.00 -1.26 -4.95 107.32 110.62 1piv s GLY 200 Ca 0.45 0.83 0.27 0.00 0.00 0.00 0.00 44.72 46.27 1piv s GLY 200 CO 0.17 1.23 1.79 1.41 0.00 0.00 0.00 173.10 177.71 1piv h LEU 201 N 1.76 0.00 0.00 0.66 3.38 -1.95 -3.45 115.31 115.70 1piv h LEU 201 Ca -0.49 0.00 -0.38 0.00 0.09 0.00 0.00 57.88 57.10 1piv h LEU 201 Cb 1.24 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.00 1piv h LEU 201 CO 0.59 0.00 -0.10 0.00 0.09 0.00 0.00 178.44 179.02 1piv n ALA 202 N -1.94 0.80 1.44 1.53 0.00 -1.26 -5.03 120.51 116.05 1piv n ALA 202 Ca 0.03 -1.56 0.14 0.00 0.00 0.00 0.00 53.44 52.05 1piv n ALA 202 Cb 0.35 0.50 0.67 0.00 0.00 0.00 0.00 19.45 20.97 1piv n ALA 202 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1piv n ASN 203 N -2.29 0.32 -3.56 0.00 4.13 -1.26 -4.83 115.26 107.76 1piv n ASN 203 Ca 0.07 -0.47 -0.16 0.00 1.68 0.00 0.00 54.58 55.71 1piv n ASN 203 Cb 0.44 -0.13 -0.06 0.00 -1.54 0.00 0.00 39.78 38.49 1piv n ASN 203 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1piv s ALA 204 N -2.48 -1.80 0.19 5.41 0.00 -1.26 -4.93 121.76 116.87 1piv s ALA 204 Ca 0.30 1.54 -0.31 0.00 0.00 0.00 0.00 51.96 53.49 1piv s ALA 204 Cb 0.20 -0.43 -0.09 0.00 0.00 0.00 0.00 23.12 22.80 1piv s ALA 204 CO 0.47 -0.35 1.41 0.71 0.00 0.00 0.00 175.76 178.00 1piv s TYR 205 N -0.75 3.16 -0.60 0.00 2.02 0.21 -4.81 117.35 116.58 1piv s TYR 205 Ca -0.07 1.00 -0.21 0.00 -0.37 0.00 0.00 57.07 57.42 1piv s TYR 205 Cb -0.01 -3.74 0.07 0.00 -0.40 0.00 0.00 41.96 37.88 1piv s TYR 205 CO 0.06 -2.48 0.83 -1.12 -1.57 0.00 0.00 175.55 171.26 1piv s SER 206 N 0.68 6.21 0.55 2.29 0.01 -1.26 -1.06 113.70 121.10 1piv s SER 206 Ca 0.62 -1.03 0.35 0.00 1.31 0.00 0.00 55.95 57.19 1piv s SER 206 Cb -0.39 -2.36 1.54 0.00 0.21 0.00 0.00 66.02 65.01 1piv s SER 206 CO 0.36 -1.22 2.03 0.45 0.41 0.00 0.00 173.24 175.27 1piv h HIS 207 N 9.32 0.00 -3.44 2.43 3.86 -1.13 -3.42 115.15 122.78 1piv h HIS 207 Ca -0.28 0.00 -0.36 0.00 -1.16 0.00 0.00 60.37 58.57 1piv h HIS 207 Cb 1.08 0.00 -0.35 0.00 1.06 0.00 0.00 27.41 29.20 1piv h HIS 207 CO 0.88 0.00 -0.75 -0.06 0.86 0.00 0.00 177.93 178.87 1piv s PHE 208 N -3.73 0.33 -0.51 2.45 0.40 -1.24 -5.06 117.98 110.61 1piv s PHE 208 Ca 0.00 0.01 0.04 0.00 -0.60 0.00 0.00 56.93 56.38 1piv s PHE 208 Cb 0.10 -0.47 0.13 0.00 0.51 0.00 0.00 43.02 43.29 1piv s PHE 208 CO 0.50 -0.16 0.26 -0.47 0.70 0.00 0.00 175.22 176.05 1piv s TYR 209 N 1.29 2.95 -1.10 0.36 5.04 -1.26 -5.03 117.35 119.61 1piv s TYR 209 Ca -0.06 -3.04 -0.23 0.00 -2.44 0.00 0.00 57.07 51.31 1piv s TYR 209 Cb -0.13 -2.63 -0.04 0.00 0.35 0.00 0.00 41.96 39.51 1piv s TYR 209 CO -0.02 -0.74 1.86 0.34 -1.34 0.00 0.00 175.55 175.64 1piv s ASP 210 N -0.20 5.49 0.00 4.32 2.15 -1.26 -3.97 116.67 123.19 1piv s ASP 210 Ca 0.17 -1.46 0.00 0.00 0.43 0.00 0.00 52.55 51.69 1piv s ASP 210 Cb -0.25 -2.58 0.00 0.00 -0.30 0.00 0.00 42.92 39.79 1piv s ASP 210 CO -0.00 -2.53 0.00 0.61 -0.17 0.00 0.00 175.17 173.08 1piv n GLY 211 N 6.18 -1.11 3.37 2.66 0.00 -1.26 -5.01 105.19 110.02 1piv n GLY 211 Ca 0.43 -0.98 -0.21 0.00 0.00 0.00 0.00 46.02 45.25 1piv n GLY 211 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1piv s PHE 212 N -3.00 1.91 -0.59 1.61 0.40 -1.26 -0.92 117.98 116.12 1piv s PHE 212 Ca 0.00 -0.47 0.24 0.00 -0.60 0.00 0.00 56.93 56.10 1piv s PHE 212 Cb 0.00 -0.89 0.44 0.00 0.51 0.00 0.00 43.02 43.08 1piv s PHE 212 CO 0.00 0.44 1.46 0.00 0.70 0.00 0.00 175.22 177.82 1piv h ALA 213 N 2.75 0.75 -3.40 5.36 0.00 -1.82 -3.47 119.26 119.44 1piv h ALA 213 Ca -0.40 0.00 -0.29 0.00 0.00 0.00 0.00 54.91 54.22 1piv h ALA 213 Cb 1.22 0.00 -0.23 0.00 0.00 0.00 0.00 17.79 18.78 1piv h ALA 213 CO 0.57 0.00 -0.74 0.15 0.00 0.00 0.00 179.25 179.23 1piv s LYS 214 N -3.18 0.50 -0.13 0.00 1.02 -1.26 -5.08 119.74 111.61 1piv s LYS 214 Ca 0.07 -0.59 -0.02 0.00 0.02 0.00 0.00 55.97 55.45 1piv s LYS 214 Cb 0.11 -0.34 -0.02 0.00 -0.52 0.00 0.00 37.83 37.06 1piv s LYS 214 CO 0.69 0.07 -0.08 0.08 -0.92 0.00 0.00 175.35 175.19 1piv s VAL 215 N -1.00 3.52 0.00 3.17 1.01 -1.26 -4.64 120.40 121.20 1piv s VAL 215 Ca -0.06 -0.50 -0.30 0.00 0.00 0.00 0.00 61.98 61.11 1piv s VAL 215 Cb -0.08 -2.50 -0.05 0.00 0.00 0.00 0.00 36.38 33.75 1piv s VAL 215 CO 0.00 0.52 1.33 -2.16 0.00 0.00 0.00 175.10 174.80 1piv s PRO 216 N 0.20 4.32 -0.03 2.72 0.04 -1.19 -4.61 135.00 136.45 1piv s PRO 216 Ca -0.05 1.89 -0.00 0.00 0.04 0.00 0.00 61.00 62.88 1piv s PRO 216 Cb -0.14 -3.52 -0.04 0.00 0.04 0.00 0.00 34.50 30.84 1piv s PRO 216 CO 0.04 -0.50 0.03 -0.51 0.04 0.00 0.00 177.00 176.09 1piv s LEU 217 N 2.11 3.67 0.49 -3.56 1.43 -1.26 -5.00 118.68 116.56 1piv s LEU 217 Ca 0.62 0.10 0.25 0.00 -1.03 0.00 0.00 54.13 54.06 1piv s LEU 217 Cb -0.30 -2.03 1.31 0.00 0.03 0.00 0.00 46.19 45.20 1piv s LEU 217 CO 0.26 0.31 1.91 0.11 0.23 0.00 0.00 176.35 179.17 1piv h LYS 218 N 4.53 0.15 -0.02 1.70 1.57 -2.01 -0.87 116.57 121.62 1piv h LYS 218 Ca -0.50 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.27 1piv h LYS 218 Cb 1.18 -0.03 0.00 0.00 0.08 0.00 0.00 32.23 33.46 1piv h LYS 218 CO 0.58 0.10 0.00 0.25 -0.57 0.00 0.00 179.45 179.81 1piv n THR 219 N -4.38 0.02 -2.38 -0.16 -2.24 -1.26 -4.92 114.28 98.95 1piv n THR 219 Ca 0.16 -0.06 -0.39 0.00 -2.27 0.00 0.00 64.05 61.49 1piv n THR 219 Cb 0.77 -0.23 -0.03 0.00 -2.10 0.00 0.00 70.33 68.74 1piv n THR 219 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 1piv s ASP 220 N -1.85 6.95 0.00 3.42 1.01 -0.33 -5.02 116.67 120.85 1piv s ASP 220 Ca 0.40 2.32 0.00 0.00 0.71 0.00 0.00 52.55 55.98 1piv s ASP 220 Cb 0.19 -2.62 0.00 0.00 1.01 0.00 0.00 42.92 41.50 1piv s ASP 220 CO 0.31 -0.37 0.63 0.00 0.21 0.00 0.00 175.17 175.95 1piv n ALA 221 N 0.71 -0.12 -1.98 5.23 0.00 -1.26 -4.74 120.51 118.35 1piv n ALA 221 Ca 0.01 0.00 -0.28 0.00 0.00 0.00 0.00 53.44 53.17 1piv n ALA 221 Cb 0.45 0.02 0.04 0.00 0.00 0.00 0.00 19.45 19.96 1piv n ALA 221 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.50 176.70 1piv s ASN 222 N -2.05 5.50 -0.17 0.00 0.01 -1.26 -4.98 114.94 112.00 1piv s ASN 222 Ca 0.00 0.91 0.10 0.00 -0.71 0.00 0.00 52.86 53.17 1piv s ASN 222 Cb 0.00 -1.80 0.59 0.00 0.41 0.00 0.00 41.25 40.45 1piv s ASN 222 CO 0.00 -1.21 1.41 -0.90 -1.51 0.00 0.00 177.10 174.89 1piv n ASP 223 N -2.80 4.39 0.13 -1.22 5.68 -1.26 -3.90 116.55 117.57 1piv n ASP 223 Ca 0.06 -2.65 -0.24 0.00 -0.50 0.00 0.00 54.79 51.46 1piv n ASP 223 Cb 0.57 -0.62 -0.16 0.00 -1.14 0.00 0.00 41.12 39.77 1piv n ASP 223 CO 0.00 0.00 0.00 1.56 -1.33 0.00 0.00 177.20 177.43 1piv h GLN 224 N 2.93 0.51 -0.94 0.11 4.20 -1.98 -3.38 115.11 116.57 1piv h GLN 224 Ca 0.00 -0.87 0.28 0.00 0.06 0.00 0.00 58.65 58.12 1piv h GLN 224 Cb 1.54 0.32 -0.15 0.00 0.30 0.00 0.00 27.48 29.49 1piv h GLN 224 CO 0.34 1.42 0.33 0.82 -0.67 0.00 0.00 178.83 181.07 1piv h ILE 225 N 0.07 0.24 -0.61 2.54 2.04 -1.99 -0.67 117.51 119.14 1piv h ILE 225 Ca -0.24 -0.07 0.00 0.00 1.00 0.00 0.00 64.86 65.55 1piv h ILE 225 Cb 2.09 0.03 0.00 0.00 -0.74 0.00 0.00 36.82 38.20 1piv h ILE 225 CO 0.26 0.04 0.00 0.61 0.00 0.00 0.00 178.15 179.05 1piv n GLY 226 N -1.36 2.83 3.73 5.37 0.00 -1.26 -4.95 105.19 109.56 1piv n GLY 226 Ca 0.26 -0.88 -0.38 0.00 0.00 0.00 0.00 46.02 45.03 1piv n GLY 226 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1piv s ASP 227 N -0.82 6.65 0.23 1.61 2.15 -0.26 -3.17 116.67 123.07 1piv s ASP 227 Ca 0.53 0.78 0.03 0.00 0.43 0.00 0.00 52.55 54.31 1piv s ASP 227 Cb 0.37 -2.27 -0.05 0.00 -0.30 0.00 0.00 42.92 40.68 1piv s ASP 227 CO 0.20 0.05 0.02 -0.44 -0.17 0.00 0.00 175.17 174.82 1piv s SER 228 N 0.44 1.64 -0.04 -0.34 0.01 -1.26 -4.91 113.70 109.24 1piv s SER 228 Ca 0.24 -1.25 -0.29 0.00 1.31 0.00 0.00 55.95 55.96 1piv s SER 228 Cb -0.15 0.05 -0.03 0.00 0.21 0.00 0.00 66.02 66.10 1piv s SER 228 CO 0.09 -0.56 0.96 -0.76 0.41 0.00 0.00 173.24 173.38 1piv s LEU 229 N -3.29 4.33 0.27 2.44 1.43 -1.26 -5.00 118.68 117.59 1piv s LEU 229 Ca 0.30 1.58 -0.31 0.00 -1.03 0.00 0.00 54.13 54.67 1piv s LEU 229 Cb 0.06 -3.52 -0.12 0.00 0.03 0.00 0.00 46.19 42.64 1piv s LEU 229 CO 0.09 -0.30 1.56 0.00 0.23 0.00 0.00 176.35 177.93 1piv n TYR 230 N 4.21 2.66 -0.67 0.29 9.36 -1.26 -2.46 117.16 129.29 1piv n TYR 230 Ca 0.06 0.28 0.00 0.00 3.32 0.00 0.00 57.90 61.56 1piv n TYR 230 Cb 0.50 -2.57 0.00 0.00 -0.63 0.00 0.00 39.34 36.64 1piv n TYR 230 CO 0.00 0.00 0.00 0.43 0.22 0.00 0.00 176.86 177.51 1piv n SER 231 N 2.34 0.00 -4.82 2.98 7.64 -0.10 -5.00 113.62 116.66 1piv n SER 231 Ca 0.10 0.00 -0.37 0.00 1.01 0.00 0.00 58.87 59.61 1piv n SER 231 Cb 0.35 -1.32 -0.06 0.00 -1.01 0.00 0.00 64.21 62.17 1piv n SER 231 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1piv s ALA 232 N -2.33 3.53 0.00 -0.43 0.00 -1.03 -4.52 121.76 116.99 1piv s ALA 232 Ca 0.00 0.04 0.00 0.00 0.00 0.00 0.00 51.96 52.00 1piv s ALA 232 Cb 0.00 -2.67 0.00 0.00 0.00 0.00 0.00 23.12 20.45 1piv s ALA 232 CO 0.00 0.39 0.00 -1.33 0.00 0.00 0.00 175.76 174.82 1piv n MET 233 N 1.20 0.00 -2.45 0.00 2.81 -1.26 -3.80 117.12 113.61 1piv n MET 233 Ca -0.07 0.00 -0.38 0.00 -1.81 0.00 0.00 57.70 55.44 1piv n MET 233 Cb 0.51 0.00 -0.04 0.00 -0.71 0.00 0.00 33.22 32.98 1piv n MET 233 CO 0.00 0.00 0.00 0.95 1.51 0.00 0.00 175.97 178.43 1piv s THR 234 N 1.76 3.48 0.15 2.03 -4.23 -1.26 -4.72 115.64 112.85 1piv s THR 234 Ca 0.00 1.30 -0.18 0.00 -1.18 0.00 0.00 61.69 61.63 1piv s THR 234 Cb 0.00 -3.75 0.02 0.00 1.34 0.00 0.00 72.50 70.11 1piv s THR 234 CO 0.00 0.17 1.70 0.58 -0.54 0.00 0.00 174.62 176.53 1piv h VAL 235 N 2.59 0.75 -0.43 2.29 2.07 -2.03 -3.11 116.25 118.36 1piv h VAL 235 Ca -0.48 -0.02 0.00 0.00 0.82 0.00 0.00 66.70 67.03 1piv h VAL 235 Cb 1.22 0.70 0.00 0.00 -1.52 0.00 0.00 31.29 31.68 1piv h VAL 235 CO 0.64 0.01 0.00 0.47 0.02 0.00 0.00 177.57 178.71 1piv n ASP 236 N -5.20 3.12 0.00 0.57 8.00 -1.26 -5.01 116.55 116.77 1piv n ASP 236 Ca -0.00 -1.95 0.00 0.00 0.71 0.00 0.00 54.79 53.55 1piv n ASP 236 Cb 0.16 -0.28 0.00 0.00 -0.02 0.00 0.00 41.12 40.98 1piv n ASP 236 CO 0.00 0.00 0.00 0.47 -0.39 0.00 0.00 177.20 177.28 1piv n ASP 237 N 1.24 0.00 -0.68 -2.24 8.00 -1.18 -1.20 116.55 120.49 1piv n ASP 237 Ca 0.19 0.00 0.07 0.00 0.71 0.00 0.00 54.79 55.76 1piv n ASP 237 Cb 0.53 0.00 0.18 0.00 -0.02 0.00 0.00 41.12 41.82 1piv n ASP 237 CO 0.00 0.00 0.00 0.49 -0.39 0.00 0.00 177.20 177.30 1piv n PHE 238 N 0.00 0.60 -4.08 1.24 3.72 -1.26 -4.92 117.46 112.77 1piv n PHE 238 Ca 0.00 -0.66 0.00 0.00 -0.05 0.00 0.00 57.45 56.74 1piv n PHE 238 Cb 0.00 -0.14 0.00 0.00 -0.94 0.00 0.00 39.48 38.40 1piv n PHE 238 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1piv n GLY 239 N -0.01 -1.66 3.31 1.37 0.00 -0.34 -4.68 105.19 103.18 1piv n GLY 239 Ca 0.15 -1.33 -0.17 0.00 0.00 0.00 0.00 46.02 44.67 1piv n GLY 239 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1piv s VAL 240 N 0.00 1.34 -0.25 1.61 -7.23 -0.82 -1.61 120.40 113.44 1piv s VAL 240 Ca 0.00 -2.10 -0.07 0.00 -1.81 0.00 0.00 61.98 58.00 1piv s VAL 240 Cb 0.00 -2.05 -0.02 0.00 0.56 0.00 0.00 36.38 34.86 1piv s VAL 240 CO 0.00 -0.58 0.06 -0.76 -0.31 0.00 0.00 175.10 173.51 1piv s LEU 241 N -3.26 3.44 -0.31 1.32 1.43 -0.10 -0.75 118.68 120.45 1piv s LEU 241 Ca 0.22 -0.29 -0.11 0.00 -1.03 0.00 0.00 54.13 52.92 1piv s LEU 241 Cb 0.02 -1.90 -0.03 0.00 0.03 0.00 0.00 46.19 44.32 1piv s LEU 241 CO 0.05 -0.05 0.20 0.00 0.23 0.00 0.00 176.35 176.77 1piv s ALA 242 N 1.59 3.45 -0.17 4.21 0.00 0.11 -0.84 121.76 130.11 1piv s ALA 242 Ca 0.06 -1.28 -0.06 0.00 0.00 0.00 0.00 51.96 50.68 1piv s ALA 242 Cb -0.15 -2.53 -0.03 0.00 0.00 0.00 0.00 23.12 20.41 1piv s ALA 242 CO 0.03 -0.81 0.02 0.08 0.00 0.00 0.00 175.76 175.08 1piv s VAL 243 N 1.71 4.39 0.09 0.00 1.01 0.34 -0.52 120.40 127.42 1piv s VAL 243 Ca 0.06 -0.18 -0.03 0.00 0.00 0.00 0.00 61.98 61.83 1piv s VAL 243 Cb -0.17 -2.95 -0.03 0.00 0.00 0.00 0.00 36.38 33.23 1piv s VAL 243 CO 0.09 0.48 0.05 0.00 0.00 0.00 0.00 175.10 175.73 1piv s ARG 244 N 0.33 0.78 -0.27 2.72 1.70 -0.47 -0.53 118.95 123.22 1piv s ARG 244 Ca -0.00 -1.24 -0.18 0.00 -0.47 0.00 0.00 55.73 53.84 1piv s ARG 244 Cb -0.13 0.25 -0.02 0.00 -0.57 0.00 0.00 34.95 34.48 1piv s ARG 244 CO 0.01 -0.20 0.54 0.08 -1.08 0.00 0.00 175.30 174.65 1piv s VAL 245 N -3.95 5.05 0.36 4.99 1.01 -1.26 -0.72 120.40 125.87 1piv s VAL 245 Ca 0.13 0.88 0.11 0.00 0.00 0.00 0.00 61.98 63.10 1piv s VAL 245 Cb 0.07 -3.86 0.09 0.00 0.00 0.00 0.00 36.38 32.68 1piv s VAL 245 CO -0.06 0.04 1.82 0.58 0.00 0.00 0.00 175.10 177.48 1piv h VAL 246 N 5.42 1.26 -4.02 2.92 2.07 -0.97 -3.45 116.25 119.50 1piv h VAL 246 Ca -0.28 -1.24 -0.55 0.00 0.82 0.00 0.00 66.70 65.45 1piv h VAL 246 Cb 1.14 1.60 0.13 0.00 -1.52 0.00 0.00 31.29 32.64 1piv h VAL 246 CO 0.73 0.36 0.67 0.20 0.02 0.00 0.00 177.57 179.55 1piv s ASN 247 N -6.92 5.60 0.61 0.57 -0.87 -1.26 -4.99 114.94 107.69 1piv s ASN 247 Ca -0.04 2.87 -0.17 0.00 -1.57 0.00 0.00 52.86 53.95 1piv s ASN 247 Cb 0.14 -2.65 -0.03 0.00 -0.02 0.00 0.00 41.25 38.70 1piv s ASN 247 CO 0.74 -1.35 1.12 -1.81 -2.57 0.00 0.00 177.10 173.23 1piv s ASP 248 N -0.68 5.37 0.31 -1.22 1.01 -1.26 -4.95 116.67 115.24 1piv s ASP 248 Ca 0.66 2.10 -0.29 0.00 0.71 0.00 0.00 52.55 55.72 1piv s ASP 248 Cb -0.43 -2.57 -0.10 0.00 1.01 0.00 0.00 42.92 40.83 1piv s ASP 248 CO 0.53 -1.46 1.41 -1.38 0.21 0.00 0.00 175.17 174.48 1piv s HIS 249 N -2.05 2.93 1.02 4.23 -3.43 -1.26 -5.02 115.29 111.71 1piv s HIS 249 Ca 0.70 1.19 -0.13 0.00 -0.80 0.00 0.00 55.06 56.02 1piv s HIS 249 Cb -0.22 -3.82 0.20 0.00 -1.43 0.00 0.00 32.58 27.31 1piv s HIS 249 CO 0.35 -2.46 1.10 -0.80 -2.00 0.00 0.00 174.74 170.92 1piv s ASN 250 N -0.05 2.43 0.05 7.38 -0.87 -1.26 -4.92 114.94 117.70 1piv s ASN 250 Ca 0.54 1.07 -0.24 0.00 -1.57 0.00 0.00 52.86 52.66 1piv s ASN 250 Cb -0.42 -1.68 -0.17 0.00 -0.02 0.00 0.00 41.25 38.96 1piv s ASN 250 CO 0.51 -3.24 1.57 1.55 -2.57 0.00 0.00 177.10 174.92 1piv h PRO 251 N -1.97 -0.07 -6.82 -0.60 0.13 -1.84 -3.41 132.00 117.42 1piv h PRO 251 Ca -0.54 0.00 -0.48 0.00 -0.87 0.00 0.00 66.00 64.12 1piv h PRO 251 Cb 1.33 0.02 -0.02 0.00 0.13 0.00 0.00 31.00 32.45 1piv h PRO 251 CO 0.56 0.10 0.27 -0.08 -0.23 0.00 0.00 178.00 178.62 1piv s THR 252 N -5.53 4.36 0.08 1.56 -1.32 -1.23 -4.86 115.64 108.70 1piv s THR 252 Ca -0.14 1.57 -0.29 0.00 -1.21 0.00 0.00 61.69 61.62 1piv s THR 252 Cb 0.04 -3.88 -0.05 0.00 -1.51 0.00 0.00 72.50 67.10 1piv s THR 252 CO 0.65 0.07 0.94 -0.75 -2.21 0.00 0.00 174.62 173.32 1piv s LYS 253 N -2.27 4.65 -0.16 7.08 2.20 -1.26 -4.90 119.74 125.08 1piv s LYS 253 Ca 0.50 1.40 -0.00 0.00 -0.36 0.00 0.00 55.97 57.51 1piv s LYS 253 Cb -0.16 -3.39 -0.00 0.00 -1.51 0.00 0.00 37.83 32.77 1piv s LYS 253 CO 0.21 0.18 -0.15 0.08 -0.36 0.00 0.00 175.35 175.31 1piv s VAL 254 N 0.16 2.72 -0.14 4.02 1.01 -0.64 -2.99 120.40 124.55 1piv s VAL 254 Ca 0.47 -0.75 -0.06 0.00 0.00 0.00 0.00 61.98 61.63 1piv s VAL 254 Cb -0.23 -2.15 -0.04 0.00 0.00 0.00 0.00 36.38 33.96 1piv s VAL 254 CO 0.29 0.51 0.10 -0.89 0.00 0.00 0.00 175.10 175.10 1piv s THR 255 N 0.83 5.12 0.09 3.92 2.01 -0.67 -1.23 115.64 125.71 1piv s THR 255 Ca -0.05 0.07 0.06 0.00 0.31 0.00 0.00 61.69 62.08 1piv s THR 255 Cb -0.15 -3.24 -0.03 0.00 0.01 0.00 0.00 72.50 69.08 1piv s THR 255 CO -0.00 0.56 -0.15 -0.44 -0.69 0.00 0.00 174.62 173.90 1piv s SER 256 N -0.54 1.86 -0.06 3.53 0.01 -0.02 -1.00 113.70 117.48 1piv s SER 256 Ca 0.11 -0.70 0.03 0.00 1.31 0.00 0.00 55.95 56.71 1piv s SER 256 Cb -0.12 -0.06 0.00 0.00 0.21 0.00 0.00 66.02 66.05 1piv s SER 256 CO 0.02 -0.10 -0.16 -0.54 0.41 0.00 0.00 173.24 172.87 1piv s LYS 257 N -2.13 1.98 -0.36 12.44 1.02 0.22 -0.91 119.74 132.00 1piv s LYS 257 Ca 0.03 -0.57 -0.12 0.00 0.02 0.00 0.00 55.97 55.33 1piv s LYS 257 Cb -0.08 -1.62 0.00 0.00 -0.52 0.00 0.00 37.83 35.61 1piv s LYS 257 CO 0.03 0.13 0.23 0.08 -0.92 0.00 0.00 175.35 174.90 1piv s VAL 258 N 0.37 5.00 -0.20 3.17 1.01 0.74 -1.51 120.40 128.98 1piv s VAL 258 Ca -0.11 -0.48 -0.17 0.00 0.00 0.00 0.00 61.98 61.22 1piv s VAL 258 Cb -0.15 -3.66 -0.04 0.00 0.00 0.00 0.00 36.38 32.54 1piv s VAL 258 CO 0.04 -0.10 0.43 -0.13 0.00 0.00 0.00 175.10 175.34 1piv s ARG 259 N 1.66 4.17 -0.26 2.72 0.52 0.21 -0.56 118.95 127.41 1piv s ARG 259 Ca 0.05 0.26 -0.10 0.00 -0.52 0.00 0.00 55.73 55.42 1piv s ARG 259 Cb -0.18 -3.55 -0.04 0.00 0.52 0.00 0.00 34.95 31.70 1piv s ARG 259 CO 0.09 -0.08 0.15 0.42 0.02 0.00 0.00 175.30 175.89 1piv s ILE 260 N 1.44 5.03 -0.19 1.52 1.01 -0.25 -1.15 121.20 128.62 1piv s ILE 260 Ca 0.20 0.07 -0.06 0.00 0.00 0.00 0.00 60.65 60.87 1piv s ILE 260 Cb -0.15 -3.37 -0.03 0.00 0.01 0.00 0.00 42.46 38.91 1piv s ILE 260 CO 0.09 0.30 0.02 -0.31 0.00 0.00 0.00 174.94 175.03 1piv s TYR 261 N 1.56 3.10 -0.13 3.97 1.51 0.12 -0.80 117.35 126.68 1piv s TYR 261 Ca 0.07 -0.25 0.00 0.00 -1.01 0.00 0.00 57.07 55.88 1piv s TYR 261 Cb -0.15 -2.06 -0.01 0.00 -0.11 0.00 0.00 41.96 39.62 1piv s TYR 261 CO 0.08 -0.08 -0.14 1.41 -1.11 0.00 0.00 175.55 175.71 1piv s MET 262 N 0.70 3.34 -0.13 -0.62 1.75 0.31 -0.76 119.30 123.89 1piv s MET 262 Ca 0.01 -0.71 -0.01 0.00 -1.25 0.00 0.00 55.69 53.73 1piv s MET 262 Cb -0.14 -2.61 0.03 0.00 2.84 0.00 0.00 34.83 34.96 1piv s MET 262 CO 0.02 0.19 -0.06 0.21 -0.65 0.00 0.00 175.02 174.73 1piv s LYS 263 N 0.41 1.40 0.18 4.11 2.20 -0.31 -1.08 119.74 126.65 1piv s LYS 263 Ca -0.11 -0.34 -0.31 0.00 -0.36 0.00 0.00 55.97 54.85 1piv s LYS 263 Cb -0.16 -1.73 -0.10 0.00 -1.51 0.00 0.00 37.83 34.33 1piv s LYS 263 CO 0.05 -0.35 1.51 -1.25 -0.36 0.00 0.00 175.35 174.95 1piv s PRO 264 N 1.70 4.24 0.05 4.03 0.04 -1.26 -0.88 135.00 142.92 1piv s PRO 264 Ca 0.03 2.30 0.02 0.00 0.04 0.00 0.00 61.00 63.39 1piv s PRO 264 Cb -0.14 -3.16 -0.03 0.00 0.04 0.00 0.00 34.50 31.22 1piv s PRO 264 CO -0.08 -0.54 -0.07 -1.59 0.04 0.00 0.00 177.00 174.77 1piv s LYS 265 N 0.79 0.54 -1.16 4.56 -2.85 0.26 -4.57 119.74 117.30 1piv s LYS 265 Ca 0.67 -0.82 -0.01 0.00 -1.00 0.00 0.00 55.97 54.81 1piv s LYS 265 Cb -0.42 -0.23 -0.01 0.00 -2.06 0.00 0.00 37.83 35.11 1piv s LYS 265 CO 0.34 0.03 0.98 0.72 0.10 0.00 0.00 175.35 177.51 1piv n HIS 266 N 1.27 -2.21 -3.02 1.78 8.25 -1.26 -0.77 115.22 119.26 1piv n HIS 266 Ca -0.21 0.92 -0.40 0.00 -0.26 0.00 0.00 57.72 57.77 1piv n HIS 266 Cb 0.56 -4.91 -0.05 0.00 1.12 0.00 0.00 29.99 26.70 1piv n HIS 266 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 1piv s VAL 267 N -3.36 4.62 -0.02 1.59 1.01 -1.26 -4.28 120.40 118.70 1piv s VAL 267 Ca 0.07 1.60 0.02 0.00 0.00 0.00 0.00 61.98 63.67 1piv s VAL 267 Cb -0.01 -4.09 -0.00 0.00 0.00 0.00 0.00 36.38 32.28 1piv s VAL 267 CO 0.72 0.44 -0.08 -0.13 0.00 0.00 0.00 175.10 176.05 1piv s ARG 268 N -0.53 0.76 0.04 2.72 0.52 -0.16 -4.69 118.95 117.61 1piv s ARG 268 Ca 0.36 -0.28 0.03 0.00 -0.52 0.00 0.00 55.73 55.32 1piv s ARG 268 Cb -0.21 -0.73 -0.02 0.00 0.52 0.00 0.00 34.95 34.51 1piv s ARG 268 CO 0.23 0.14 -0.10 0.14 0.02 0.00 0.00 175.30 175.73 1piv s VAL 269 N 0.02 0.71 0.07 3.52 -7.23 -1.26 -1.04 120.40 115.18 1piv s VAL 269 Ca 0.00 -1.03 0.06 0.00 -1.81 0.00 0.00 61.98 59.20 1piv s VAL 269 Cb -0.06 -0.72 -0.03 0.00 0.56 0.00 0.00 36.38 36.13 1piv s VAL 269 CO -0.00 -0.25 -0.16 0.26 -0.31 0.00 0.00 175.10 174.64 1piv s TRP 270 N -1.17 1.34 -0.20 2.82 0.51 0.01 -5.00 118.94 117.25 1piv s TRP 270 Ca -0.06 -0.43 -0.04 0.00 -2.12 0.00 0.00 56.10 53.45 1piv s TRP 270 Cb -0.09 -0.76 0.01 0.00 -0.81 0.00 0.00 33.47 31.83 1piv s TRP 270 CO 0.01 0.08 0.07 0.00 -0.51 0.00 0.00 176.95 176.60 1piv s PRO 272 N -1.11 3.21 0.06 0.00 0.04 -1.26 -0.88 135.00 135.05 1piv s PRO 272 Ca -0.08 2.08 0.05 0.00 0.04 0.00 0.00 61.00 63.09 1piv s PRO 272 Cb 0.01 -2.22 -0.03 0.00 0.04 0.00 0.00 34.50 32.30 1piv s PRO 272 CO 0.59 -1.09 -0.14 1.03 0.04 0.00 0.00 177.00 177.43 1piv s ARG 273 N -2.94 0.89 0.30 4.56 0.52 0.93 -4.85 118.95 118.36 1piv s ARG 273 Ca 0.71 -0.86 -0.29 0.00 -0.52 0.00 0.00 55.73 54.78 1piv s ARG 273 Cb -0.37 -0.91 -0.13 0.00 0.52 0.00 0.00 34.95 34.07 1piv s ARG 273 CO 0.43 0.21 1.31 -2.30 0.02 0.00 0.00 175.30 174.97 1piv n PRO 274 N 1.60 2.05 -1.93 3.54 -0.02 -1.26 -4.61 135.00 134.37 1piv n PRO 274 Ca -0.19 0.72 -0.36 0.00 -2.02 0.00 0.00 63.50 61.65 1piv n PRO 274 Cb 0.54 -2.31 0.04 0.00 -0.02 0.00 0.00 33.50 31.75 1piv n PRO 274 CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 1piv s PRO 275 N -1.37 2.85 -0.11 0.52 0.04 -1.26 -4.83 135.00 130.83 1piv s PRO 275 Ca 0.60 1.84 -0.31 0.00 0.04 0.00 0.00 61.00 63.17 1piv s PRO 275 Cb -0.60 -1.91 -0.09 0.00 0.04 0.00 0.00 34.50 31.94 1piv s PRO 275 CO 0.58 -1.31 2.04 -2.13 0.04 0.00 0.00 177.00 176.22 1piv n ARG 276 N -1.74 2.24 0.02 4.56 3.00 -1.26 -4.88 116.66 118.59 1piv n ARG 276 Ca 0.14 0.76 0.09 0.00 -0.00 0.00 0.00 57.85 58.84 1piv n ARG 276 Cb 0.49 -2.91 -0.12 0.00 0.00 0.00 0.00 32.46 29.93 1piv n ARG 276 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1piv n ALA 277 N 8.63 2.59 -2.54 5.13 0.00 -1.26 -4.98 120.51 128.08 1piv n ALA 277 Ca 0.26 -0.50 -0.25 0.00 0.00 0.00 0.00 53.44 52.95 1piv n ALA 277 Cb 0.37 -0.82 -0.09 0.00 0.00 0.00 0.00 19.45 18.91 1piv n ALA 277 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.50 177.64 1piv s VAL 278 N -3.37 2.61 0.32 0.00 -7.23 -1.26 -4.70 120.40 106.77 1piv s VAL 278 Ca -0.06 -2.09 -0.29 0.00 -1.81 0.00 0.00 61.98 57.74 1piv s VAL 278 Cb 0.12 -2.69 -0.11 0.00 0.56 0.00 0.00 36.38 34.26 1piv s VAL 278 CO 0.87 -0.25 1.47 -2.84 -0.31 0.00 0.00 175.10 174.04 1piv s PRO 279 N -3.66 4.18 0.29 4.82 0.02 -1.26 -4.96 135.00 134.43 1piv s PRO 279 Ca 0.33 2.46 -0.30 0.00 0.02 0.00 0.00 61.00 63.51 1piv s PRO 279 Cb -0.01 -3.02 -0.12 0.00 0.02 0.00 0.00 34.50 31.37 1piv s PRO 279 CO 0.18 -0.48 1.58 0.66 -0.33 0.00 0.00 177.00 178.61 1piv n TYR 280 N 1.29 2.79 -3.73 6.54 4.01 -1.26 -4.63 117.16 122.16 1piv n TYR 280 Ca 0.04 0.27 -0.28 0.00 -0.16 0.00 0.00 57.90 57.77 1piv n TYR 280 Cb 0.39 -2.59 -0.11 0.00 -0.31 0.00 0.00 39.34 36.73 1piv n TYR 280 CO 0.00 0.00 0.00 0.98 -0.46 0.00 0.00 176.86 177.38 1piv n TYR 281 N 2.15 2.34 -3.51 -0.72 9.36 -1.06 -4.98 117.16 120.74 1piv n TYR 281 Ca 0.09 -4.07 0.00 0.00 3.32 0.00 0.00 57.90 57.24 1piv n TYR 281 Cb 0.36 -0.43 0.00 0.00 -0.63 0.00 0.00 39.34 38.64 1piv n TYR 281 CO 0.00 0.00 0.00 0.41 0.22 0.00 0.00 176.86 177.49 1piv n GLY 282 N 2.02 -1.77 0.12 2.98 0.00 -1.26 -4.49 105.19 102.78 1piv n GLY 282 Ca 0.23 -1.45 0.12 0.00 0.00 0.00 0.00 46.02 44.93 1piv n GLY 282 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1piv n PRO 283 N 0.00 0.23 -2.22 1.61 -0.04 -1.26 -4.84 135.00 128.48 1piv n PRO 283 Ca 0.00 0.34 -0.10 0.00 -0.04 0.00 0.00 63.50 63.70 1piv n PRO 283 Cb 0.00 -1.85 0.01 0.00 -0.04 0.00 0.00 33.50 31.62 1piv n PRO 283 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1piv n GLY 284 N 0.55 2.53 0.23 0.55 0.00 -1.26 -4.99 105.19 102.79 1piv n GLY 284 Ca 0.04 -2.20 0.00 0.00 0.00 0.00 0.00 46.02 43.85 1piv n GLY 284 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 1piv n VAL 285 N -1.24 0.00 -2.41 1.61 0.24 -1.26 -4.68 118.33 110.59 1piv n VAL 285 Ca 0.02 0.00 -0.41 0.00 -2.04 0.00 0.00 64.34 61.91 1piv n VAL 285 Cb 0.26 -0.24 -0.04 0.00 -1.47 0.00 0.00 33.84 32.35 1piv n VAL 285 CO 0.00 0.00 0.00 -1.81 -2.14 0.00 0.00 176.83 172.88 1piv s ASP 286 N -0.83 7.14 0.12 -1.34 1.01 -1.26 -4.98 116.67 116.54 1piv s ASP 286 Ca 0.00 2.24 0.08 0.00 0.71 0.00 0.00 52.55 55.58 1piv s ASP 286 Cb 0.00 -2.61 -0.04 0.00 1.01 0.00 0.00 42.92 41.28 1piv s ASP 286 CO 0.00 -0.30 -0.12 -0.72 0.21 0.00 0.00 175.17 174.24 1piv s TYR 287 N -0.39 2.66 0.00 4.23 -0.85 -1.26 -2.56 117.35 119.19 1piv s TYR 287 Ca 0.50 -0.20 0.00 0.00 -0.52 0.00 0.00 57.07 56.85 1piv s TYR 287 Cb -0.32 -1.38 0.00 0.00 0.38 0.00 0.00 41.96 40.64 1piv s TYR 287 CO 0.38 0.43 0.00 -2.13 -1.52 0.00 0.00 175.55 172.71 1piv n ARG 288 N 0.59 0.00 -4.35 -3.49 0.63 -1.26 -5.00 116.66 103.78 1piv n ARG 288 Ca -0.13 0.00 -0.20 0.00 -0.92 0.00 0.00 57.85 56.60 1piv n ARG 288 Cb 0.53 0.00 -0.09 0.00 0.45 0.00 0.00 32.46 33.35 1piv n ARG 288 CO 0.00 0.00 0.00 -0.80 -2.51 0.00 0.00 177.63 174.32 1piv s ASN 289 N -0.80 1.72 -0.48 6.15 0.01 -1.26 -4.81 114.94 115.48 1piv s ASN 289 Ca 0.00 -1.62 -0.01 0.00 -0.71 0.00 0.00 52.86 50.52 1piv s ASN 289 Cb 0.00 0.45 -0.01 0.00 0.41 0.00 0.00 41.25 42.10 1piv s ASN 289 CO 0.00 -0.94 0.40 0.59 -1.51 0.00 0.00 177.10 175.65 1piv n ASN 290 N -1.12 -2.55 -1.17 -1.22 3.02 -1.26 -4.49 115.26 106.46 1piv n ASN 290 Ca 0.02 -0.27 0.02 0.00 -0.03 0.00 0.00 54.58 54.32 1piv n ASN 290 Cb 0.64 -2.42 0.17 0.00 -0.61 0.00 0.00 39.78 37.56 1piv n ASN 290 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 1piv n LEU 291 N -2.27 3.28 -2.91 3.41 4.77 -1.26 -4.43 117.00 117.59 1piv n LEU 291 Ca -0.09 -1.67 -0.28 0.00 -0.03 0.00 0.00 56.01 53.94 1piv n LEU 291 Cb 0.56 -0.59 -0.03 0.00 -2.33 0.00 0.00 43.42 41.04 1piv n LEU 291 CO 0.25 0.45 0.27 -0.90 -1.33 0.00 0.00 177.39 176.13 1piv n ASP 292 N 0.23 4.79 0.01 -1.43 5.75 -1.26 -4.93 116.55 119.71 1piv n ASP 292 Ca 0.14 -3.70 0.06 0.00 -0.01 0.00 0.00 54.79 51.28 1piv n ASP 292 Cb 0.71 -0.59 0.46 0.00 -1.03 0.00 0.00 41.12 40.66 1piv n ASP 292 CO 0.00 0.00 0.00 1.55 -0.11 0.00 0.00 177.20 178.64 1piv h PRO 293 N 2.99 0.47 -6.16 0.11 0.13 -1.84 -3.43 132.00 124.28 1piv h PRO 293 Ca 0.20 -0.03 -0.56 0.00 -0.87 0.00 0.00 66.00 64.73 1piv h PRO 293 Cb 0.55 -0.11 -0.05 0.00 0.13 0.00 0.00 31.00 31.53 1piv h PRO 293 CO 0.86 0.31 0.01 -0.51 -0.23 0.00 0.00 178.00 178.44 1piv s LEU 294 N -9.43 4.45 0.88 1.56 1.43 -1.26 -5.09 118.68 111.22 1piv s LEU 294 Ca -0.08 1.24 -0.12 0.00 -1.03 0.00 0.00 54.13 54.14 1piv s LEU 294 Cb 0.18 -2.97 0.12 0.00 0.03 0.00 0.00 46.19 43.54 1piv s LEU 294 CO 0.73 0.13 1.10 -0.44 0.23 0.00 0.00 176.35 178.09 1piv s SER 295 N -0.39 3.67 -0.13 2.29 0.01 -1.26 -5.04 113.70 112.84 1piv s SER 295 Ca 0.32 1.40 -0.22 0.00 1.31 0.00 0.00 55.95 58.75 1piv s SER 295 Cb -0.19 -2.08 -0.03 0.00 0.21 0.00 0.00 66.02 63.93 1piv s SER 295 CO 0.19 -2.50 0.68 -0.70 0.41 0.00 0.00 173.24 171.31 1piv s GLU 296 N -5.01 4.33 -0.10 12.44 2.12 -1.26 -5.05 118.70 126.17 1piv s GLU 296 Ca 0.63 0.78 -0.05 0.00 0.36 0.00 0.00 54.97 56.69 1piv s GLU 296 Cb -0.17 -3.51 0.05 0.00 0.26 0.00 0.00 34.13 30.76 1piv s GLU 296 CO 0.56 -0.09 0.23 0.21 -0.54 0.00 0.00 175.26 175.63 1piv s LYS 297 N 1.38 0.18 0.18 4.30 2.47 -1.26 -5.15 119.74 121.84 1piv s LYS 297 Ca 0.34 0.53 -0.31 0.00 -1.56 0.00 0.00 55.97 54.97 1piv s LYS 297 Cb -0.17 -0.13 -0.10 0.00 -1.46 0.00 0.00 37.83 35.98 1piv s LYS 297 CO 0.14 -0.18 1.49 0.20 0.16 0.00 0.00 175.35 177.16 1piv s GLY 298 N 1.41 1.88 0.34 5.54 0.00 -1.26 -4.92 107.32 110.32 1piv s GLY 298 Ca -0.08 1.31 0.13 0.00 0.00 0.00 0.00 44.72 46.08 1piv s GLY 298 CO -0.08 2.47 1.59 -2.00 0.00 0.00 0.00 173.10 175.07 1piv h LEU 299 N 6.24 0.06 -3.71 0.66 5.85 -2.04 -0.27 115.31 122.10 1piv h LEU 299 Ca -0.44 0.26 -0.47 0.00 0.84 0.00 0.00 57.88 58.08 1piv h LEU 299 Cb 1.21 0.33 -0.28 0.00 0.37 0.00 0.00 40.66 42.29 1piv h LEU 299 CO 0.86 -0.37 -0.00 0.35 -0.34 0.00 0.00 178.44 178.94 1piv n THR 300 N -5.32 2.90 -3.98 1.05 -2.24 -1.26 -4.95 114.28 100.48 1piv n THR 300 Ca 0.32 -3.23 -0.34 0.00 -2.27 0.00 0.00 64.05 58.52 1piv n THR 300 Cb 1.06 -0.83 -0.15 0.00 -2.10 0.00 0.00 70.33 68.31 1piv n THR 300 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 1piv s THR 301 N -4.14 2.90 -2.00 4.28 2.01 -0.11 -5.29 115.64 113.28 1piv s THR 301 Ca 0.53 -0.68 0.13 0.00 0.31 0.00 0.00 61.69 61.98 1piv s THR 301 Cb 0.44 -2.30 0.38 0.00 0.01 0.00 0.00 72.50 71.03 1piv s THR 301 CO 0.02 0.44 1.22 -1.22 -0.69 0.00 0.00 174.62 174.39