#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1riv s VAL 2 N 0.00 5.01 -0.07 6.31 1.01 -1.26 -3.45 120.40 127.95 1riv s VAL 2 Ca 0.00 1.49 -0.24 0.00 0.00 0.00 0.00 61.98 63.23 1riv s VAL 2 Cb 0.00 -4.06 0.05 0.00 0.00 0.00 0.00 36.38 32.37 1riv s VAL 2 CO 0.00 0.21 0.54 0.42 0.00 0.00 0.00 175.10 176.27 1riv s THR 3 N 1.07 0.02 -0.05 3.92 -4.23 -0.57 -4.99 115.64 110.81 1riv s THR 3 Ca 0.38 -0.15 0.04 0.00 -1.18 0.00 0.00 61.69 60.78 1riv s THR 3 Cb -0.18 -0.84 -0.00 0.00 1.34 0.00 0.00 72.50 72.82 1riv s THR 3 CO 0.17 -0.08 -0.17 -0.76 -0.54 0.00 0.00 174.62 173.24 1riv s LEU 4 N -0.93 1.91 -0.10 4.79 1.43 -1.26 -2.02 118.68 122.50 1riv s LEU 4 Ca -0.10 -0.36 -0.01 0.00 -1.03 0.00 0.00 54.13 52.63 1riv s LEU 4 Cb -0.02 -0.99 0.03 0.00 0.03 0.00 0.00 46.19 45.24 1riv s LEU 4 CO 0.06 0.15 -0.03 -1.58 0.23 0.00 0.00 176.35 175.18 1riv s GLN 5 N 0.06 1.01 0.45 1.70 0.74 -0.46 -4.19 119.66 118.99 1riv s GLN 5 Ca -0.05 -0.10 -0.03 0.00 0.05 0.00 0.00 55.36 55.24 1riv s GLN 5 Cb -0.12 -1.33 -0.02 0.00 1.10 0.00 0.00 33.01 32.64 1riv s GLN 5 CO 0.02 -0.32 0.71 -1.21 -0.55 0.00 0.00 175.29 173.95 1riv s GLU 6 N 1.84 3.34 0.07 1.67 8.01 -1.26 -0.85 118.70 131.52 1riv s GLU 6 Ca 0.04 -0.12 -0.26 0.00 0.01 0.00 0.00 54.97 54.64 1riv s GLU 6 Cb -0.13 -2.48 0.09 0.00 -4.31 0.00 0.00 34.13 27.30 1riv s GLU 6 CO -0.07 -0.19 0.76 -1.54 0.01 0.00 0.00 175.26 174.23 1riv s SER 7 N -4.14 -0.46 0.00 -0.19 1.04 -0.49 -4.95 113.70 104.52 1riv s SER 7 Ca 0.46 -0.01 0.00 0.00 0.48 0.00 0.00 55.95 56.89 1riv s SER 7 Cb -0.10 0.48 0.00 0.00 0.10 0.00 0.00 66.02 66.50 1riv s SER 7 CO 0.41 -0.78 0.00 0.61 0.98 0.00 0.00 173.24 174.46 1riv n GLY 8 N -0.31 0.59 0.01 7.32 0.00 -1.26 -1.24 105.19 110.30 1riv n GLY 8 Ca -0.12 0.00 -0.00 0.00 0.00 0.00 0.00 46.02 45.90 1riv n GLY 8 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1riv n GLY 9 N -1.45 -1.76 0.00 -0.02 0.00 -1.26 -4.72 105.19 95.97 1riv n GLY 9 Ca 0.00 -1.56 0.00 0.00 0.00 0.00 0.00 46.02 44.46 1riv n GLY 9 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1riv n GLY 10 N 3.76 0.72 3.72 -0.02 0.00 0.12 -4.99 105.19 108.50 1riv n GLY 10 Ca 0.00 -2.08 -0.41 0.00 0.00 0.00 0.00 46.02 43.53 1riv n GLY 10 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1riv s LEU 11 N 0.00 4.42 0.01 0.99 2.96 -1.26 -1.50 118.68 124.30 1riv s LEU 11 Ca 0.00 1.61 0.00 0.00 -0.22 0.00 0.00 54.13 55.53 1riv s LEU 11 Cb 0.00 -3.46 -0.01 0.00 0.50 0.00 0.00 46.19 43.22 1riv s LEU 11 CO 0.00 -0.12 -0.03 0.54 -1.32 0.00 0.00 176.35 175.42 1riv s VAL 12 N 0.43 0.14 0.22 1.68 0.11 -0.08 -4.95 120.40 117.96 1riv s VAL 12 Ca 0.46 -0.50 -0.30 0.00 -2.93 0.00 0.00 61.98 58.72 1riv s VAL 12 Cb -0.21 -0.21 -0.09 0.00 -1.53 0.00 0.00 36.38 34.34 1riv s VAL 12 CO 0.27 -0.23 1.20 -1.58 -3.33 0.00 0.00 175.10 171.43 1riv s GLN 13 N -0.76 4.50 0.31 1.54 2.00 -1.26 -1.45 119.66 124.55 1riv s GLN 13 Ca -0.07 1.91 -0.29 0.00 -2.00 0.00 0.00 55.36 54.91 1riv s GLN 13 Cb -0.05 -3.21 -0.12 0.00 0.80 0.00 0.00 33.01 30.43 1riv s GLN 13 CO -0.00 -0.05 1.35 -2.30 -0.50 0.00 0.00 175.29 173.79 1riv n PRO 14 N 2.07 2.17 -0.36 1.67 -0.02 -1.26 0.33 135.00 139.59 1riv n PRO 14 Ca 0.03 0.76 0.00 0.00 -2.02 0.00 0.00 63.50 62.27 1riv n PRO 14 Cb 0.44 -2.38 0.00 0.00 -0.02 0.00 0.00 33.50 31.54 1riv n PRO 14 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1riv n GLY 15 N 1.21 2.13 0.50 -1.23 0.00 0.27 -4.90 105.19 103.16 1riv n GLY 15 Ca 0.07 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 46.05 1riv n GLY 15 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1riv n GLY 16 N -2.00 -0.85 3.16 -0.02 0.00 0.15 -4.09 105.19 101.54 1riv n GLY 16 Ca 0.00 -1.72 -0.13 0.00 0.00 0.00 0.00 46.02 44.17 1riv n GLY 16 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1riv s SER 17 N -1.61 1.27 -0.09 1.61 1.04 -1.26 -1.97 113.70 112.69 1riv s SER 17 Ca 0.09 -0.85 -0.22 0.00 0.48 0.00 0.00 55.95 55.46 1riv s SER 17 Cb -0.00 0.04 0.05 0.00 0.10 0.00 0.00 66.02 66.21 1riv s SER 17 CO 0.07 -0.32 0.52 -0.32 0.98 0.00 0.00 173.24 174.16 1riv s MET 18 N -2.99 0.79 -0.15 4.02 0.00 0.10 -4.98 119.30 116.10 1riv s MET 18 Ca 0.06 0.30 0.02 0.00 0.00 0.00 0.00 55.69 56.07 1riv s MET 18 Cb -0.01 0.37 0.01 0.00 0.00 0.00 0.00 34.83 35.20 1riv s MET 18 CO -0.01 -0.20 -0.21 0.21 0.00 0.00 0.00 175.02 174.81 1riv s LYS 19 N -0.70 3.05 -0.02 4.11 2.20 -1.26 0.54 119.74 127.65 1riv s LYS 19 Ca -0.08 -0.84 -0.03 0.00 -0.36 0.00 0.00 55.97 54.67 1riv s LYS 19 Cb -0.03 -2.47 -0.04 0.00 -1.51 0.00 0.00 37.83 33.78 1riv s LYS 19 CO 0.05 -0.03 0.15 -0.51 -0.36 0.00 0.00 175.35 174.65 1riv s LEU 20 N 0.86 4.24 0.18 5.43 1.43 0.12 -4.65 118.68 126.29 1riv s LEU 20 Ca -0.06 0.30 0.11 0.00 -1.03 0.00 0.00 54.13 53.46 1riv s LEU 20 Cb -0.15 -2.47 -0.04 0.00 0.03 0.00 0.00 46.19 43.56 1riv s LEU 20 CO -0.03 0.28 -0.24 -0.44 0.23 0.00 0.00 176.35 176.16 1riv s SER 21 N -1.79 3.47 -0.08 2.29 0.01 -0.37 -0.62 113.70 116.61 1riv s SER 21 Ca 0.25 -0.81 -0.03 0.00 1.31 0.00 0.00 55.95 56.67 1riv s SER 21 Cb -0.12 -0.28 0.04 0.00 0.21 0.00 0.00 66.02 65.86 1riv s SER 21 CO 0.16 0.14 0.08 0.00 0.41 0.00 0.00 173.24 174.03 1riv s ALA 23 N 2.18 3.31 0.30 0.00 0.00 -0.03 -1.60 121.76 125.92 1riv s ALA 23 Ca 0.04 -0.81 0.07 0.00 0.00 0.00 0.00 51.96 51.27 1riv s ALA 23 Cb -0.13 -1.88 -0.03 0.00 0.00 0.00 0.00 23.12 21.08 1riv s ALA 23 CO -0.05 0.10 0.26 0.00 0.00 0.00 0.00 175.76 176.07 1riv s ALA 24 N 0.53 3.76 -0.21 0.00 0.00 0.07 -1.35 121.76 124.55 1riv s ALA 24 Ca 0.02 -1.56 -0.32 0.00 0.00 0.00 0.00 51.96 50.11 1riv s ALA 24 Cb -0.13 -1.24 0.15 0.00 0.00 0.00 0.00 23.12 21.91 1riv s ALA 24 CO 0.01 0.10 1.20 -1.54 0.00 0.00 0.00 175.76 175.53 1riv s SER 25 N -3.94 -0.17 0.00 0.00 1.04 -0.86 -4.90 113.70 104.87 1riv s SER 25 Ca 0.38 0.12 0.00 0.00 0.48 0.00 0.00 55.95 56.93 1riv s SER 25 Cb -0.07 0.15 0.00 0.00 0.10 0.00 0.00 66.02 66.21 1riv s SER 25 CO 0.26 -0.20 0.00 0.61 0.98 0.00 0.00 173.24 174.89 1riv n GLY 26 N 0.32 0.77 3.60 7.32 0.00 -1.22 -1.51 105.19 114.47 1riv n GLY 26 Ca -0.03 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.90 1riv n GLY 26 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1riv s PHE 27 N -2.63 0.05 -1.11 1.61 -0.12 -1.26 -4.35 117.98 110.17 1riv s PHE 27 Ca 0.00 -0.42 -0.23 0.00 -0.05 0.00 0.00 56.93 56.23 1riv s PHE 27 Cb 0.00 0.37 -0.05 0.00 -0.63 0.00 0.00 43.02 42.70 1riv s PHE 27 CO 0.00 -1.00 1.90 0.99 -0.05 0.00 0.00 175.22 177.06 1riv s THR 28 N -3.93 3.59 0.25 -4.49 2.01 -1.26 -4.80 115.64 107.00 1riv s THR 28 Ca 0.14 -0.85 -0.03 0.00 0.31 0.00 0.00 61.69 61.26 1riv s THR 28 Cb -0.02 -4.49 0.23 0.00 0.01 0.00 0.00 72.50 68.24 1riv s THR 28 CO 0.03 -1.12 1.84 0.15 -0.69 0.00 0.00 174.62 174.83 1riv h PHE 29 N 9.98 0.99 0.00 4.92 3.57 -1.96 -2.54 116.94 131.89 1riv h PHE 29 Ca 0.20 0.03 -0.00 0.00 3.53 0.00 0.00 57.97 61.73 1riv h PHE 29 Cb 0.95 -0.31 -0.00 0.00 2.79 0.00 0.00 35.95 39.38 1riv h PHE 29 CO 1.24 0.44 -0.01 0.66 -2.23 0.00 0.00 178.31 178.41 1riv h SER 30 N 0.93 0.00 0.87 0.41 4.64 -1.91 -1.86 113.55 116.62 1riv h SER 30 Ca 0.41 0.00 -0.09 0.00 -0.47 0.00 0.00 61.79 61.64 1riv h SER 30 Cb 0.31 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.38 1riv h SER 30 CO -0.22 0.01 -1.19 0.44 -0.87 0.00 0.00 176.83 175.00 1riv h ASP 31 N 0.00 0.00 -4.17 4.97 3.32 -1.79 -3.40 116.42 115.35 1riv h ASP 31 Ca -0.00 0.00 -0.49 0.00 0.02 0.00 0.00 57.03 56.56 1riv h ASP 31 Cb 0.04 0.00 0.06 0.00 0.22 0.00 0.00 39.33 39.65 1riv h ASP 31 CO 0.00 0.31 0.38 0.00 -1.72 0.00 0.00 179.24 178.22 1riv s ALA 32 N -3.12 2.77 -0.15 3.45 0.00 -0.70 -4.76 121.76 119.25 1riv s ALA 32 Ca -0.02 0.45 -0.07 0.00 0.00 0.00 0.00 51.96 52.33 1riv s ALA 32 Cb 0.09 -3.24 -0.04 0.00 0.00 0.00 0.00 23.12 19.93 1riv s ALA 32 CO 0.80 -0.70 0.09 -1.58 0.00 0.00 0.00 175.76 174.37 1riv s TRP 33 N -2.33 3.38 -0.06 0.00 0.52 -0.84 -4.06 118.94 115.55 1riv s TRP 33 Ca 0.65 0.29 0.04 0.00 0.02 0.00 0.00 56.10 57.10 1riv s TRP 33 Cb -0.16 -1.99 -0.02 0.00 -1.15 0.00 0.00 33.47 30.15 1riv s TRP 33 CO 0.33 0.43 -0.18 0.08 0.02 0.00 0.00 176.95 177.63 1riv s VAL 34 N -0.33 2.69 0.21 4.03 1.01 -0.77 -1.09 120.40 126.15 1riv s VAL 34 Ca 0.10 -0.84 0.07 0.00 0.00 0.00 0.00 61.98 61.30 1riv s VAL 34 Cb -0.12 -2.04 -0.05 0.00 0.00 0.00 0.00 36.38 34.17 1riv s VAL 34 CO 0.01 0.57 -0.12 -1.81 0.00 0.00 0.00 175.10 173.75 1riv s ASP 35 N -0.36 2.52 -0.05 3.32 1.01 0.68 -1.46 116.67 122.33 1riv s ASP 35 Ca 0.03 -1.05 0.06 0.00 0.71 0.00 0.00 52.55 52.30 1riv s ASP 35 Cb -0.12 -0.13 -0.01 0.00 1.01 0.00 0.00 42.92 43.67 1riv s ASP 35 CO 0.02 -0.22 -0.25 0.26 0.21 0.00 0.00 175.17 175.20 1riv s TRP 36 N -3.02 2.39 0.00 4.23 0.52 -0.49 -1.24 118.94 121.33 1riv s TRP 36 Ca 0.23 -0.69 0.04 0.00 0.02 0.00 0.00 56.10 55.70 1riv s TRP 36 Cb 0.00 -1.57 -0.01 0.00 -1.15 0.00 0.00 33.47 30.74 1riv s TRP 36 CO 0.07 -0.20 -0.12 0.08 0.02 0.00 0.00 176.95 176.80 1riv s VAL 37 N -0.19 0.93 0.26 4.03 1.01 -0.15 -1.16 120.40 125.14 1riv s VAL 37 Ca -0.03 -0.60 0.10 0.00 0.00 0.00 0.00 61.98 61.45 1riv s VAL 37 Cb -0.13 -0.80 -0.05 0.00 0.00 0.00 0.00 36.38 35.40 1riv s VAL 37 CO 0.03 0.19 -0.15 0.00 0.00 0.00 0.00 175.10 175.17 1riv s ARG 38 N -0.47 1.56 -0.03 2.72 1.70 -0.16 -0.27 118.95 124.00 1riv s ARG 38 Ca 0.03 -1.73 0.02 0.00 -0.47 0.00 0.00 55.73 53.58 1riv s ARG 38 Cb -0.05 -1.46 0.01 0.00 -0.57 0.00 0.00 34.95 32.88 1riv s ARG 38 CO -0.00 0.22 -0.07 -1.14 -1.08 0.00 0.00 175.30 173.22 1riv s GLN 39 N -3.60 0.87 0.04 3.89 0.74 0.26 -0.52 119.66 121.34 1riv s GLN 39 Ca 0.28 -0.24 -0.14 0.00 0.05 0.00 0.00 55.36 55.31 1riv s GLN 39 Cb -0.01 -0.82 0.02 0.00 1.10 0.00 0.00 33.01 33.29 1riv s GLN 39 CO 0.12 0.06 0.31 -1.54 -0.55 0.00 0.00 175.29 173.69 1riv s SER 40 N 0.35 -0.13 0.29 6.67 1.04 -0.97 -1.38 113.70 119.57 1riv s SER 40 Ca -0.05 -0.18 -0.30 0.00 0.48 0.00 0.00 55.95 55.90 1riv s SER 40 Cb -0.09 0.36 -0.11 0.00 0.10 0.00 0.00 66.02 66.28 1riv s SER 40 CO 0.00 -0.62 1.50 -2.84 0.98 0.00 0.00 173.24 172.27 1riv s PRO 41 N -2.55 4.19 0.00 4.02 0.02 -1.26 -0.85 135.00 138.57 1riv s PRO 41 Ca -0.05 2.45 0.00 0.00 0.02 0.00 0.00 61.00 63.42 1riv s PRO 41 Cb -0.01 -3.05 0.00 0.00 0.02 0.00 0.00 34.50 31.46 1riv s PRO 41 CO -0.03 -0.51 0.00 0.41 -0.33 0.00 0.00 177.00 176.54 1riv n GLY 42 N 1.85 2.71 0.14 0.52 0.00 -1.26 -4.67 105.19 104.48 1riv n GLY 42 Ca 0.06 -0.64 0.09 0.00 0.00 0.00 0.00 46.02 45.53 1riv n GLY 42 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1riv h LYS 43 N 0.00 0.00 0.00 1.61 1.57 -1.97 -3.50 116.57 114.28 1riv h LYS 43 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1riv h LYS 43 Cb 0.00 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.31 1riv h LYS 43 CO 0.00 0.07 0.00 0.41 -0.57 0.00 0.00 179.45 179.36 1riv n GLY 44 N 1.20 1.80 3.73 3.86 0.00 -0.03 -4.64 105.19 111.11 1riv n GLY 44 Ca -0.00 -0.54 -0.40 0.00 0.00 0.00 0.00 46.02 45.08 1riv n GLY 44 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1riv s LEU 45 N 0.00 4.40 -0.06 0.99 1.43 -1.26 -2.28 118.68 121.90 1riv s LEU 45 Ca 0.00 1.38 -0.01 0.00 -1.03 0.00 0.00 54.13 54.47 1riv s LEU 45 Cb 0.00 -3.20 0.03 0.00 0.03 0.00 0.00 46.19 43.04 1riv s LEU 45 CO 0.00 -0.04 -0.01 -0.70 0.23 0.00 0.00 176.35 175.83 1riv s GLU 46 N 0.27 0.62 0.28 1.70 2.12 0.32 -5.00 118.70 119.01 1riv s GLU 46 Ca 0.39 0.07 -0.29 0.00 0.36 0.00 0.00 54.97 55.49 1riv s GLU 46 Cb -0.20 -0.90 -0.10 0.00 0.26 0.00 0.00 34.13 33.20 1riv s GLU 46 CO 0.22 -0.24 1.26 -0.46 -0.54 0.00 0.00 175.26 175.49 1riv s TRP 47 N 1.68 3.24 -0.09 5.30 -0.00 -1.26 -0.99 118.94 126.82 1riv s TRP 47 Ca 0.00 1.42 -0.07 0.00 -0.00 0.00 0.00 56.10 57.46 1riv s TRP 47 Cb -0.13 -3.56 -0.04 0.00 -0.00 0.00 0.00 33.47 29.74 1riv s TRP 47 CO -0.04 -1.55 -0.16 0.28 -0.00 0.00 0.00 176.95 175.49 1riv n VAL 48 N 1.46 0.90 -3.61 5.86 0.31 -0.30 -4.69 118.33 118.25 1riv n VAL 48 Ca 0.02 -0.02 -0.08 0.00 -0.01 0.00 0.00 64.34 64.25 1riv n VAL 48 Cb 0.43 -1.75 -0.02 0.00 -0.91 0.00 0.00 33.84 31.58 1riv n VAL 48 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1riv s ALA 49 N -2.29 -1.59 -0.05 3.52 0.00 -1.17 -1.47 121.76 118.72 1riv s ALA 49 Ca -0.16 0.37 -0.12 0.00 0.00 0.00 0.00 51.96 52.05 1riv s ALA 49 Cb 0.05 0.70 0.02 0.00 0.00 0.00 0.00 23.12 23.89 1riv s ALA 49 CO 0.21 -0.87 0.28 -2.00 0.00 0.00 0.00 175.76 173.38 1riv s GLU 50 N -3.51 0.54 -0.06 0.00 2.12 -0.41 -1.39 118.70 115.98 1riv s GLU 50 Ca 0.07 -0.01 0.01 0.00 0.36 0.00 0.00 54.97 55.40 1riv s GLU 50 Cb -0.02 0.24 0.02 0.00 0.26 0.00 0.00 34.13 34.63 1riv s GLU 50 CO -0.04 -0.13 -0.08 -1.50 -0.54 0.00 0.00 175.26 172.97 1riv s ILE 51 N -0.82 0.84 0.90 -3.70 2.07 -0.54 -1.35 121.20 118.61 1riv s ILE 51 Ca -0.09 -0.30 -0.13 0.00 -1.41 0.00 0.00 60.65 58.72 1riv s ILE 51 Cb -0.04 -0.81 0.20 0.00 0.13 0.00 0.00 42.46 41.93 1riv s ILE 51 CO 0.03 0.30 1.23 0.54 -1.91 0.00 0.00 174.94 175.12 1riv n ARG 52 N 4.01 -1.04 -2.22 3.50 1.74 0.17 -1.84 116.66 120.97 1riv n ARG 52 Ca -0.23 -2.12 -0.27 0.00 -0.77 0.00 0.00 57.85 54.47 1riv n ARG 52 Cb 0.51 -1.20 0.12 0.00 -1.02 0.00 0.00 32.46 30.87 1riv n ARG 52 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 1riv s ASN 52 N -5.57 4.07 0.24 0.55 2.20 -1.26 -4.27 114.94 110.90 1riv s ASN 52 Ca 0.71 0.14 -0.06 0.00 -0.94 0.00 0.00 52.86 52.72 1riv s ASN 52 Cb -0.02 -0.49 0.29 0.00 -2.00 0.00 0.00 41.25 39.03 1riv s ASN 52 CO 0.50 -2.08 1.88 0.50 -2.94 0.00 0.00 177.10 174.96 1riv h LYS 52 N -0.95 1.10 -0.02 3.55 3.64 -1.92 -0.23 116.57 121.74 1riv h LYS 52 Ca -0.42 -0.07 0.00 0.00 -1.27 0.00 0.00 60.65 58.90 1riv h LYS 52 Cb 1.27 -0.25 -0.00 0.00 -0.41 0.00 0.00 32.23 32.84 1riv h LYS 52 CO 0.46 0.72 0.01 0.00 -2.27 0.00 0.00 179.45 178.38 1riv h ALA 52 N 1.38 1.93 -0.91 5.00 0.00 -1.94 0.03 119.26 124.75 1riv h ALA 52 Ca 0.36 -0.00 -0.42 0.00 0.00 0.00 0.00 54.91 54.85 1riv h ALA 52 Cb 0.02 0.00 -0.25 0.00 0.00 0.00 0.00 17.79 17.56 1riv h ALA 52 CO -0.13 -0.02 0.53 0.09 0.00 0.00 0.00 179.25 179.73 1riv n ASN 53 N -4.40 4.07 -1.73 0.00 3.02 -0.55 -4.91 115.26 110.75 1riv n ASN 53 Ca -0.03 -3.46 -0.18 0.00 -0.03 0.00 0.00 54.58 50.88 1riv n ASN 53 Cb 0.11 -0.81 -0.05 0.00 -0.61 0.00 0.00 39.78 38.42 1riv n ASN 53 CO 0.00 0.00 0.00 -3.20 -2.62 0.00 0.00 177.26 171.44 1riv n ASN 54 N -0.81 -5.26 -2.31 6.41 4.05 -0.00 -3.05 115.26 114.28 1riv n ASN 54 Ca 0.53 0.23 -0.11 0.00 0.45 0.00 0.00 54.58 55.68 1riv n ASN 54 Cb 1.57 -4.35 -0.01 0.00 1.23 0.00 0.00 39.78 38.22 1riv n ASN 54 CO 0.00 0.00 0.00 1.41 -3.05 0.00 0.00 177.26 175.62 1riv n HIS 55 N -3.21 -1.35 -1.86 1.20 8.25 -0.20 -4.87 115.22 113.18 1riv n HIS 55 Ca -0.20 0.00 -0.39 0.00 -0.26 0.00 0.00 57.72 56.87 1riv n HIS 55 Cb 0.63 -2.56 0.02 0.00 1.12 0.00 0.00 29.99 29.20 1riv n HIS 55 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1riv s ALA 56 N -2.48 3.15 0.13 -1.41 0.00 -1.17 -4.45 121.76 115.52 1riv s ALA 56 Ca 0.00 1.38 0.08 0.00 0.00 0.00 0.00 51.96 53.42 1riv s ALA 56 Cb 0.00 -3.56 -0.04 0.00 0.00 0.00 0.00 23.12 19.52 1riv s ALA 56 CO 0.00 -1.14 -0.14 0.95 0.00 0.00 0.00 175.76 175.43 1riv s THR 57 N -1.24 3.08 0.01 0.00 -4.23 -1.26 -0.66 115.64 111.34 1riv s THR 57 Ca 0.62 -1.47 0.01 0.00 -1.18 0.00 0.00 61.69 59.67 1riv s THR 57 Cb -0.42 -2.45 -0.01 0.00 1.34 0.00 0.00 72.50 70.97 1riv s THR 57 CO 0.52 0.05 -0.03 -0.54 -0.54 0.00 0.00 174.62 174.09 1riv s LYS 58 N -2.32 0.24 0.10 3.99 -0.14 -0.46 -4.99 119.74 116.16 1riv s LYS 58 Ca 0.21 -0.22 0.04 0.00 -1.36 0.00 0.00 55.97 54.63 1riv s LYS 58 Cb -0.10 -0.16 -0.04 0.00 -1.68 0.00 0.00 37.83 35.85 1riv s LYS 58 CO 0.12 0.04 -0.10 0.71 -0.76 0.00 0.00 175.35 175.37 1riv s TYR 59 N -0.37 1.04 0.35 3.18 2.02 -1.26 -1.29 117.35 121.02 1riv s TYR 59 Ca -0.02 -0.67 -0.23 0.00 -0.37 0.00 0.00 57.07 55.78 1riv s TYR 59 Cb -0.03 -0.57 -0.10 0.00 -0.40 0.00 0.00 41.96 40.86 1riv s TYR 59 CO -0.00 -0.01 0.91 -0.08 -1.57 0.00 0.00 175.55 174.79 1riv s THR 60 N -2.52 4.35 0.21 -0.71 -1.32 -0.54 -4.89 115.64 110.21 1riv s THR 60 Ca 0.06 1.58 -0.18 0.00 -1.21 0.00 0.00 61.69 61.93 1riv s THR 60 Cb -0.02 -3.82 0.20 0.00 -1.51 0.00 0.00 72.50 67.35 1riv s THR 60 CO -0.00 -0.04 1.57 -0.08 -2.21 0.00 0.00 174.62 173.86 1riv h GLU 61 N 2.68 -0.08 0.00 7.08 4.57 -1.95 -1.76 114.58 125.12 1riv h GLU 61 Ca -0.48 0.01 0.00 0.00 -1.18 0.00 0.00 59.36 57.71 1riv h GLU 61 Cb 1.19 0.02 0.00 0.00 -0.16 0.00 0.00 28.75 29.79 1riv h GLU 61 CO 0.64 -0.05 0.00 -1.13 -1.18 0.00 0.00 179.01 177.28 1riv n SER 62 N -5.46 0.00 0.00 1.04 3.41 -1.26 -2.28 113.62 109.06 1riv n SER 62 Ca 0.07 0.35 0.00 0.00 -0.26 0.00 0.00 58.87 59.03 1riv n SER 62 Cb 0.38 -0.36 0.00 0.00 -0.26 0.00 0.00 64.21 63.97 1riv n SER 62 CO 0.00 0.00 0.00 1.33 -0.16 0.00 0.00 175.04 176.21 1riv n VAL 63 N -1.36 0.00 -1.66 -3.33 0.24 -0.69 -4.96 118.33 106.57 1riv n VAL 63 Ca 0.01 -0.45 -0.45 0.00 -2.04 0.00 0.00 64.34 61.40 1riv n VAL 63 Cb 0.01 1.03 -0.03 0.00 -1.47 0.00 0.00 33.84 33.38 1riv n VAL 63 CO 0.00 0.00 0.00 0.29 -2.14 0.00 0.00 176.83 174.98 1riv n LYS 64 N -0.62 1.93 0.00 7.34 5.02 -0.97 -0.99 118.16 129.87 1riv n LYS 64 Ca 0.00 0.69 0.00 0.00 -2.02 0.00 0.00 58.31 56.98 1riv n LYS 64 Cb 0.01 -2.34 0.00 0.00 -0.02 0.00 0.00 35.03 32.68 1riv n LYS 64 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1riv n GLY 65 N 2.25 2.95 0.10 0.72 0.00 -1.26 -4.74 105.19 105.21 1riv n GLY 65 Ca 0.13 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 46.02 1riv n GLY 65 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1riv n ARG 66 N -1.07 0.81 -4.07 1.61 1.74 -0.16 -4.99 116.66 110.52 1riv n ARG 66 Ca 0.00 0.08 -0.32 0.00 -0.77 0.00 0.00 57.85 56.83 1riv n ARG 66 Cb 0.00 -1.41 -0.07 0.00 -1.02 0.00 0.00 32.46 29.96 1riv n ARG 66 CO 0.00 0.00 0.00 -0.06 -1.52 0.00 0.00 177.63 176.05 1riv s PHE 67 N -2.41 3.29 -0.06 -1.55 0.40 -0.45 -1.53 117.98 115.67 1riv s PHE 67 Ca -0.21 0.19 0.00 0.00 -0.60 0.00 0.00 56.93 56.31 1riv s PHE 67 Cb 0.06 -1.72 0.02 0.00 0.51 0.00 0.00 43.02 41.90 1riv s PHE 67 CO 0.54 0.55 -0.04 0.99 0.70 0.00 0.00 175.22 177.96 1riv s THR 68 N -1.25 0.59 -0.08 0.64 2.01 0.54 -4.83 115.64 113.26 1riv s THR 68 Ca 0.25 -0.09 -0.02 0.00 0.31 0.00 0.00 61.69 62.14 1riv s THR 68 Cb -0.12 -0.65 -0.04 0.00 0.01 0.00 0.00 72.50 71.70 1riv s THR 68 CO 0.16 0.27 0.04 -0.51 -0.69 0.00 0.00 174.62 173.88 1riv s ILE 69 N 1.36 4.57 0.21 1.82 2.07 -1.26 -0.47 121.20 129.50 1riv s ILE 69 Ca -0.04 -0.21 -0.10 0.00 -1.41 0.00 0.00 60.65 58.90 1riv s ILE 69 Cb -0.13 -2.96 -0.01 0.00 0.13 0.00 0.00 42.46 39.48 1riv s ILE 69 CO -0.03 0.56 0.36 -0.94 -1.91 0.00 0.00 174.94 172.99 1riv s SER 70 N -1.06 -0.02 0.04 4.50 1.04 -0.88 -4.99 113.70 112.34 1riv s SER 70 Ca 0.15 -0.96 -0.06 0.00 0.48 0.00 0.00 55.95 55.57 1riv s SER 70 Cb -0.12 0.50 -0.01 0.00 0.10 0.00 0.00 66.02 66.50 1riv s SER 70 CO 0.04 -1.01 0.10 0.00 0.98 0.00 0.00 173.24 173.36 1riv s ARG 71 N -4.02 0.62 -0.32 4.02 1.70 -1.26 -0.16 118.95 119.53 1riv s ARG 71 Ca 0.23 -0.80 -0.00 0.00 -0.47 0.00 0.00 55.73 54.69 1riv s ARG 71 Cb 0.02 0.25 0.10 0.00 -0.57 0.00 0.00 34.95 34.75 1riv s ARG 71 CO 0.06 -0.16 0.11 0.34 -1.08 0.00 0.00 175.30 174.57 1riv s ASP 72 N -2.25 4.04 0.46 -2.89 -1.08 0.20 -4.98 116.67 110.16 1riv s ASP 72 Ca -0.03 -1.77 0.22 0.00 -0.52 0.00 0.00 52.55 50.45 1riv s ASP 72 Cb 0.00 -0.93 1.14 0.00 -1.46 0.00 0.00 42.92 41.68 1riv s ASP 72 CO -0.06 -0.40 1.96 0.44 0.52 0.00 0.00 175.17 177.64 1riv h ASP 73 N 7.92 0.00 0.71 -0.34 3.32 -1.96 -0.86 116.42 125.21 1riv h ASP 73 Ca -0.12 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.93 1riv h ASP 73 Cb 1.01 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.56 1riv h ASP 73 CO 0.47 0.21 0.00 0.77 -1.72 0.00 0.00 179.24 178.97 1riv h SER 74 N 0.00 0.00 -0.09 6.45 4.64 -1.95 -2.48 113.55 120.12 1riv h SER 74 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1riv h SER 74 Cb 0.49 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.58 1riv h SER 74 CO 0.03 0.00 0.00 0.29 -0.87 0.00 0.00 176.83 176.28 1riv n LYS 75 N -3.01 1.25 -3.91 4.77 5.02 -0.66 -4.99 118.16 116.62 1riv n LYS 75 Ca -0.00 -1.29 -0.28 0.00 -2.02 0.00 0.00 58.31 54.71 1riv n LYS 75 Cb 0.23 -1.13 0.02 0.00 -0.02 0.00 0.00 35.03 34.13 1riv n LYS 75 CO 0.00 0.00 0.00 0.43 -0.52 0.00 0.00 177.40 177.31 1riv n SER 76 N 0.21 -3.27 -4.24 4.39 7.64 -0.42 -4.73 113.62 113.21 1riv n SER 76 Ca 0.05 -0.84 -0.15 0.00 1.01 0.00 0.00 58.87 58.93 1riv n SER 76 Cb 0.24 -3.69 -0.10 0.00 -1.01 0.00 0.00 64.21 59.65 1riv n SER 76 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 1riv s SER 77 N -3.67 1.82 0.02 6.43 0.01 -0.92 -0.75 113.70 116.64 1riv s SER 77 Ca 0.45 -0.92 0.03 0.00 1.31 0.00 0.00 55.95 56.82 1riv s SER 77 Cb -0.23 -0.03 -0.02 0.00 0.21 0.00 0.00 66.02 65.96 1riv s SER 77 CO 0.85 -0.26 -0.09 -0.69 0.41 0.00 0.00 173.24 173.46 1riv s VAL 78 N -2.81 0.68 0.16 3.43 1.01 -0.63 -0.63 120.40 121.62 1riv s VAL 78 Ca 0.13 -0.71 0.09 0.00 0.00 0.00 0.00 61.98 61.48 1riv s VAL 78 Cb -0.01 -0.64 -0.04 0.00 0.00 0.00 0.00 36.38 35.69 1riv s VAL 78 CO 0.01 -0.05 -0.19 -0.31 0.00 0.00 0.00 175.10 174.57 1riv s TYR 79 N -0.70 1.84 -0.24 5.22 2.02 0.77 -1.22 117.35 125.04 1riv s TYR 79 Ca -0.01 -0.46 -0.01 0.00 -0.37 0.00 0.00 57.07 56.22 1riv s TYR 79 Cb -0.06 -0.92 0.07 0.00 -0.40 0.00 0.00 41.96 40.64 1riv s TYR 79 CO 0.00 0.33 0.01 -1.17 -1.57 0.00 0.00 175.55 173.15 1riv s LEU 80 N -2.60 2.05 -0.29 -1.29 2.96 0.21 -2.07 118.68 117.66 1riv s LEU 80 Ca 0.15 -1.17 -0.18 0.00 -0.22 0.00 0.00 54.13 52.72 1riv s LEU 80 Cb -0.06 -0.91 -0.02 0.00 0.50 0.00 0.00 46.19 45.70 1riv s LEU 80 CO 0.06 -0.30 0.50 -1.58 -1.32 0.00 0.00 176.35 173.71 1riv s GLN 81 N 1.60 3.93 -0.16 1.98 2.00 0.38 0.16 119.66 129.56 1riv s GLN 81 Ca -0.00 0.15 -0.01 0.00 -2.00 0.00 0.00 55.36 53.50 1riv s GLN 81 Cb -0.18 -3.70 -0.01 0.00 0.80 0.00 0.00 33.01 29.93 1riv s GLN 81 CO -0.11 -0.43 -0.13 -1.64 -0.50 0.00 0.00 175.29 172.49 1riv s MET 82 N 2.31 3.31 0.28 1.67 -1.94 0.19 -0.34 119.30 124.78 1riv s MET 82 Ca 0.20 -0.70 0.10 0.00 -1.71 0.00 0.00 55.69 53.57 1riv s MET 82 Cb -0.16 -2.69 -0.05 0.00 2.01 0.00 0.00 34.83 33.94 1riv s MET 82 CO 0.11 0.06 -0.15 -0.80 -0.01 0.00 0.00 175.02 174.23 1riv s ASN 82 N 0.73 3.29 -1.40 3.03 0.02 -0.58 0.03 114.94 120.06 1riv s ASN 82 Ca -0.06 -1.08 -0.01 0.00 -1.02 0.00 0.00 52.86 50.69 1riv s ASN 82 Cb -0.15 -0.26 0.01 0.00 0.02 0.00 0.00 41.25 40.87 1riv s ASN 82 CO 0.01 -0.10 0.47 -1.20 0.02 0.00 0.00 177.10 176.30 1riv n SER 82 N -0.60 -0.57 -4.75 -1.22 7.64 -0.93 -4.71 113.62 108.48 1riv n SER 82 Ca -0.06 -0.98 -0.41 0.00 1.01 0.00 0.00 58.87 58.43 1riv n SER 82 Cb 0.61 -3.19 -0.02 0.00 -1.01 0.00 0.00 64.21 60.61 1riv n SER 82 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 1riv s LEU 82 N -6.94 4.36 0.37 -3.43 1.43 -0.83 -4.61 118.68 109.04 1riv s LEU 82 Ca 0.04 2.82 0.08 0.00 -1.03 0.00 0.00 54.13 56.04 1riv s LEU 82 Cb -0.02 -3.63 -0.05 0.00 0.03 0.00 0.00 46.19 42.52 1riv s LEU 82 CO 0.88 -0.80 0.13 -0.13 0.23 0.00 0.00 176.35 176.66 1riv s ARG 83 N -0.65 2.23 0.48 1.70 0.52 -1.26 0.94 118.95 122.91 1riv s ARG 83 Ca 0.60 -1.74 0.14 0.00 -0.52 0.00 0.00 55.73 54.21 1riv s ARG 83 Cb -0.45 -2.02 1.11 0.00 0.52 0.00 0.00 34.95 34.11 1riv s ARG 83 CO 0.47 0.01 2.08 0.00 0.02 0.00 0.00 175.30 177.88 1riv h ALA 84 N 1.56 1.84 0.00 2.13 0.00 -1.96 -1.15 119.26 121.68 1riv h ALA 84 Ca -0.43 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.41 1riv h ALA 84 Cb 1.25 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.01 1riv h ALA 84 CO 0.67 0.12 0.00 -0.85 0.00 0.00 0.00 179.25 179.20 1riv n GLU 85 N -4.45 0.11 0.00 0.00 0.28 -1.26 -1.93 120.64 113.39 1riv n GLU 85 Ca -0.02 0.18 0.14 0.00 -0.16 0.00 0.00 57.16 57.29 1riv n GLU 85 Cb 0.15 -1.50 0.50 0.00 1.43 0.00 0.00 31.44 32.01 1riv n GLU 85 CO 0.00 0.00 0.00 -0.25 -0.16 0.00 0.00 177.13 176.72 1riv n ASP 86 N -1.40 1.01 -4.74 -1.84 8.00 -0.43 -4.89 116.55 112.25 1riv n ASP 86 Ca 0.06 -1.02 -0.41 0.00 0.71 0.00 0.00 54.79 54.13 1riv n ASP 86 Cb 0.16 0.04 -0.02 0.00 -0.02 0.00 0.00 41.12 41.28 1riv n ASP 86 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 1riv s THR 87 N -2.32 2.66 -5.00 -3.53 2.01 -0.81 -4.90 115.64 103.75 1riv s THR 87 Ca 0.31 0.54 0.00 0.00 0.31 0.00 0.00 61.69 62.85 1riv s THR 87 Cb 0.20 -3.35 0.00 0.00 0.01 0.00 0.00 72.50 69.36 1riv s THR 87 CO 0.45 0.08 0.00 0.61 -0.69 0.00 0.00 174.62 175.07 1riv n GLY 88 N 2.35 -1.97 3.68 4.40 0.00 -0.24 -4.76 105.19 108.65 1riv n GLY 88 Ca 0.07 -1.31 -0.38 0.00 0.00 0.00 0.00 46.02 44.40 1riv n GLY 88 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1riv s ILE 89 N -2.47 5.18 -0.18 -0.61 -1.09 -0.48 -0.55 121.20 121.01 1riv s ILE 89 Ca 0.00 0.79 -0.06 0.00 -2.23 0.00 0.00 60.65 59.15 1riv s ILE 89 Cb 0.00 -3.76 -0.03 0.00 -1.58 0.00 0.00 42.46 37.09 1riv s ILE 89 CO 0.00 0.26 0.02 -0.31 -1.23 0.00 0.00 174.94 173.68 1riv s TYR 90 N 1.22 3.13 -0.03 3.97 1.51 0.14 -0.58 117.35 126.71 1riv s TYR 90 Ca 0.21 -0.17 0.07 0.00 -1.01 0.00 0.00 57.07 56.17 1riv s TYR 90 Cb -0.15 -2.06 -0.02 0.00 -0.11 0.00 0.00 41.96 39.63 1riv s TYR 90 CO 0.08 -0.02 -0.24 0.71 -1.11 0.00 0.00 175.55 174.98 1riv s TYR 91 N 0.58 2.40 -0.03 2.71 2.02 0.62 -0.99 117.35 124.66 1riv s TYR 91 Ca 0.01 -0.45 -0.02 0.00 -0.37 0.00 0.00 57.07 56.23 1riv s TYR 91 Cb -0.14 -1.53 -0.04 0.00 -0.40 0.00 0.00 41.96 39.85 1riv s TYR 91 CO 0.02 -0.04 0.11 0.00 -1.57 0.00 0.00 175.55 174.07 1riv s THR 93 N -1.18 0.13 0.07 0.00 -1.32 -0.38 -1.20 115.64 111.77 1riv s THR 93 Ca 0.22 -1.04 0.02 0.00 -1.21 0.00 0.00 61.69 59.67 1riv s THR 93 Cb -0.12 -1.16 -0.03 0.00 -1.51 0.00 0.00 72.50 69.67 1riv s THR 93 CO 0.13 -0.58 -0.07 -0.94 -2.21 0.00 0.00 174.62 170.95 1riv s SER 94 N -2.55 0.96 -0.49 8.08 1.04 -0.92 -0.23 113.70 119.60 1riv s SER 94 Ca 0.01 -0.83 -0.08 0.00 0.48 0.00 0.00 55.95 55.53 1riv s SER 94 Cb 0.02 0.08 0.12 0.00 0.10 0.00 0.00 66.02 66.35 1riv s SER 94 CO -0.08 -0.38 0.35 -0.69 0.98 0.00 0.00 173.24 173.42 1riv s VAL 95 N -2.79 4.13 0.37 5.02 1.01 -0.25 -2.02 120.40 125.87 1riv s VAL 95 Ca 0.03 -1.91 0.08 0.00 0.00 0.00 0.00 61.98 60.17 1riv s VAL 95 Cb -0.00 -3.72 0.16 0.00 0.00 0.00 0.00 36.38 32.82 1riv s VAL 95 CO -0.03 -0.78 1.91 1.55 0.00 0.00 0.00 175.10 177.74 1riv h PRO 96 N 8.30 0.35 -3.34 2.72 0.13 -1.83 -2.23 132.00 136.10 1riv h PRO 96 Ca -0.18 -0.07 -0.04 0.00 -0.87 0.00 0.00 66.00 64.83 1riv h PRO 96 Cb 1.06 -0.05 -0.12 0.00 0.13 0.00 0.00 31.00 32.02 1riv h PRO 96 CO 0.83 0.43 -0.02 -1.14 -0.23 0.00 0.00 178.00 177.87 1riv s GLN 97 N -4.85 1.16 0.13 0.86 2.00 -1.26 -4.18 119.66 113.52 1riv s GLN 97 Ca -0.06 -0.72 -0.35 0.00 -2.00 0.00 0.00 55.36 52.23 1riv s GLN 97 Cb 0.16 0.49 -0.16 0.00 0.80 0.00 0.00 33.01 34.30 1riv s GLN 97 CO 0.74 -0.47 1.24 -0.11 -0.50 0.00 0.00 175.29 176.19 1riv n LEU 98 N -0.27 1.54 0.00 3.68 7.94 -1.26 -1.74 117.00 126.89 1riv n LEU 98 Ca -0.15 1.13 0.00 0.00 -1.11 0.00 0.00 56.01 55.88 1riv n LEU 98 Cb 0.64 -1.20 0.00 0.00 0.53 0.00 0.00 43.42 43.39 1riv n LEU 98 CO 0.17 -1.21 0.00 0.61 -1.11 0.00 0.00 177.39 175.85 1riv n GLY 99 N 2.24 0.52 0.20 -3.96 0.00 -1.26 -4.90 105.19 98.02 1riv n GLY 99 Ca 0.17 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.31 1riv n GLY 99 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1riv h ARG 100 N 1.43 0.00 0.00 1.61 2.47 -1.75 -3.50 114.38 114.64 1riv h ARG 100 Ca 0.00 0.00 0.04 0.00 -1.26 0.00 0.00 59.98 58.76 1riv h ARG 100 Cb 0.14 0.00 -0.01 0.00 -1.65 0.00 0.00 29.97 28.45 1riv h ARG 100 CO 0.00 0.00 -0.06 0.41 0.56 0.00 0.00 179.97 180.88 1riv n GLY 100 N 1.01 -1.87 3.57 0.04 0.00 -1.26 -4.18 105.19 102.51 1riv n GLY 100 Ca 0.04 -1.33 -0.41 0.00 0.00 0.00 0.00 46.02 44.32 1riv n GLY 100 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1riv s PHE 100 N -0.46 2.64 0.24 1.61 0.08 -1.26 -4.19 117.98 116.65 1riv s PHE 100 Ca 0.00 -1.25 0.01 0.00 0.12 0.00 0.00 56.93 55.81 1riv s PHE 100 Cb 0.00 -4.68 0.26 0.00 -0.57 0.00 0.00 43.02 38.03 1riv s PHE 100 CO 0.00 -1.80 1.61 0.00 -0.10 0.00 0.00 175.22 174.93 1riv h ALA 101 N 8.34 0.90 -4.43 5.36 0.00 -1.57 -3.45 119.26 124.41 1riv h ALA 101 Ca 0.37 -0.45 -0.63 0.00 0.00 0.00 0.00 54.91 54.20 1riv h ALA 101 Cb 0.91 -0.10 -0.29 0.00 0.00 0.00 0.00 17.79 18.31 1riv h ALA 101 CO 1.43 0.64 -0.86 0.71 0.00 0.00 0.00 179.25 181.17 1riv s TYR 102 N -4.17 1.97 0.08 0.00 2.02 -1.23 -5.02 117.35 111.01 1riv s TYR 102 Ca -0.06 -0.37 0.05 0.00 -0.37 0.00 0.00 57.07 56.31 1riv s TYR 102 Cb 0.12 -1.26 -0.03 0.00 -0.40 0.00 0.00 41.96 40.39 1riv s TYR 102 CO 0.81 -0.02 -0.13 -1.58 -1.57 0.00 0.00 175.55 173.06 1riv s TRP 103 N -0.55 1.19 0.71 2.71 0.52 -1.26 -2.16 118.94 120.09 1riv s TRP 103 Ca 0.09 -0.50 -0.06 0.00 0.02 0.00 0.00 56.10 55.65 1riv s TRP 103 Cb -0.09 -0.66 0.15 0.00 -1.15 0.00 0.00 33.47 31.73 1riv s TRP 103 CO -0.01 0.05 0.97 0.41 0.02 0.00 0.00 176.95 178.40 1riv n GLY 104 N 1.09 -0.15 0.22 0.98 0.00 -0.34 -4.49 105.19 102.50 1riv n GLY 104 Ca -0.20 -1.90 0.12 0.00 0.00 0.00 0.00 46.02 44.05 1riv n GLY 104 CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 1riv h GLN 105 N 0.00 0.00 0.00 1.61 1.08 -1.90 -3.45 115.11 112.44 1riv h GLN 105 Ca -0.32 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 56.88 1riv h GLN 105 Cb 1.04 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.47 1riv h GLN 105 CO 0.29 0.00 0.00 0.41 -0.95 0.00 0.00 178.83 178.58 1riv n GLY 106 N 1.02 0.91 2.92 3.46 0.00 -1.26 -5.02 105.19 107.22 1riv n GLY 106 Ca 0.04 -1.63 -0.17 0.00 0.00 0.00 0.00 46.02 44.26 1riv n GLY 106 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1riv s THR 107 N -2.53 0.40 -0.20 2.61 -1.32 -0.16 -4.91 115.64 109.53 1riv s THR 107 Ca 0.00 -0.15 -0.23 0.00 -1.21 0.00 0.00 61.69 60.10 1riv s THR 107 Cb 0.00 -0.38 -0.02 0.00 -1.51 0.00 0.00 72.50 70.59 1riv s THR 107 CO 0.00 0.15 0.76 -0.22 -2.21 0.00 0.00 174.62 173.10 1riv s LEU 108 N 0.29 4.13 -0.22 9.08 2.96 -1.26 -0.68 118.68 132.98 1riv s LEU 108 Ca -0.03 1.01 -0.06 0.00 -0.22 0.00 0.00 54.13 54.83 1riv s LEU 108 Cb -0.07 -3.10 -0.02 0.00 0.50 0.00 0.00 46.19 43.50 1riv s LEU 108 CO -0.00 -0.39 0.01 -0.69 -1.32 0.00 0.00 176.35 173.96 1riv s VAL 109 N 2.29 3.96 -0.22 1.68 1.01 0.29 -0.71 120.40 128.70 1riv s VAL 109 Ca 0.34 -0.30 -0.00 0.00 0.00 0.00 0.00 61.98 62.02 1riv s VAL 109 Cb -0.16 -2.81 0.03 0.00 0.00 0.00 0.00 36.38 33.43 1riv s VAL 109 CO 0.10 0.40 -0.11 -0.89 0.00 0.00 0.00 175.10 174.60 1riv s THR 110 N 1.27 2.54 -0.39 3.92 2.01 -0.56 -1.07 115.64 123.35 1riv s THR 110 Ca 0.04 -1.04 -0.14 0.00 0.31 0.00 0.00 61.69 60.86 1riv s THR 110 Cb -0.15 -2.23 0.01 0.00 0.01 0.00 0.00 72.50 70.14 1riv s THR 110 CO 0.01 0.30 0.27 -0.69 -0.69 0.00 0.00 174.62 173.83 1riv s VAL 111 N 1.29 5.13 -0.10 3.82 1.01 -1.26 -0.90 120.40 129.40 1riv s VAL 111 Ca 0.01 -0.62 -0.30 0.00 0.00 0.00 0.00 61.98 61.07 1riv s VAL 111 Cb -0.16 -3.82 0.09 0.00 0.00 0.00 0.00 36.38 32.49 1riv s VAL 111 CO -0.07 -0.24 0.77 -0.55 0.00 0.00 0.00 175.10 175.00 1riv s SER 112 N 1.66 -0.59 0.00 3.32 0.15 -0.53 -4.67 113.70 113.05 1riv s SER 112 Ca 0.05 0.69 0.28 0.00 0.70 0.00 0.00 55.95 57.67 1riv s SER 112 Cb -0.19 0.55 1.12 0.00 -1.71 0.00 0.00 66.02 65.79 1riv s SER 112 CO 0.09 -0.51 1.79 0.00 1.20 0.00 0.00 173.24 175.81 1riv n ALA 113 N 1.01 2.80 -1.18 5.45 0.00 -1.26 -4.17 120.51 123.16 1riv n ALA 113 Ca -0.16 -0.34 -0.31 0.00 0.00 0.00 0.00 53.44 52.63 1riv n ALA 113 Cb 0.57 -1.26 0.10 0.00 0.00 0.00 0.00 19.45 18.87 1riv n ALA 113 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1riv s ALA 114 N -2.33 2.11 0.22 0.00 0.00 -1.26 -5.04 121.76 115.46 1riv s ALA 114 Ca 0.31 0.30 0.07 0.00 0.00 0.00 0.00 51.96 52.64 1riv s ALA 114 Cb 0.20 -3.29 -0.04 0.00 0.00 0.00 0.00 23.12 19.99 1riv s ALA 114 CO 0.45 -1.94 0.15 -1.54 0.00 0.00 0.00 175.76 172.88 1riv s SER 115 N -3.29 5.40 0.17 0.00 1.04 -1.26 -5.02 113.70 110.74 1riv s SER 115 Ca 0.62 -0.25 -0.32 0.00 0.48 0.00 0.00 55.95 56.48 1riv s SER 115 Cb -0.18 -1.35 -0.10 0.00 0.10 0.00 0.00 66.02 64.49 1riv s SER 115 CO 0.56 0.01 1.62 -0.89 0.98 0.00 0.00 173.24 175.52 1riv s THR 116 N -2.01 2.51 -0.02 2.02 2.01 -1.26 -4.74 115.64 114.15 1riv s THR 116 Ca 0.32 0.34 0.01 0.00 0.31 0.00 0.00 61.69 62.67 1riv s THR 116 Cb -0.08 -3.22 0.01 0.00 0.01 0.00 0.00 72.50 69.22 1riv s THR 116 CO 0.24 0.02 -0.03 -0.89 -0.69 0.00 0.00 174.62 173.27 1riv s THR 117 N 1.31 0.33 0.65 -0.82 2.01 0.10 -4.94 115.64 114.27 1riv s THR 117 Ca 0.72 -0.08 -0.12 0.00 0.31 0.00 0.00 61.69 62.52 1riv s THR 117 Cb -0.45 -0.34 -0.02 0.00 0.01 0.00 0.00 72.50 71.70 1riv s THR 117 CO 0.32 0.14 1.04 -2.16 -0.69 0.00 0.00 174.62 173.27 1riv s PRO 118 N 0.48 3.27 0.54 4.92 0.04 -1.26 -1.47 135.00 141.51 1riv s PRO 118 Ca -0.05 0.91 -0.04 0.00 0.04 0.00 0.00 61.00 61.86 1riv s PRO 118 Cb -0.08 -2.03 -0.00 0.00 0.04 0.00 0.00 34.50 32.42 1riv s PRO 118 CO -0.01 -0.84 0.83 -1.25 0.04 0.00 0.00 177.00 175.78 1riv s PRO 119 N -4.93 3.03 -0.04 0.56 0.04 -1.26 -4.10 135.00 128.30 1riv s PRO 119 Ca 0.58 -0.10 0.03 0.00 0.04 0.00 0.00 61.00 61.55 1riv s PRO 119 Cb -0.13 -2.36 -0.03 0.00 0.04 0.00 0.00 34.50 32.03 1riv s PRO 119 CO 0.51 -0.53 -0.13 -1.12 0.04 0.00 0.00 177.00 175.77 1riv s SER 120 N -4.26 4.14 -0.15 6.66 0.01 -0.03 -4.95 113.70 115.12 1riv s SER 120 Ca 0.52 -0.18 0.01 0.00 1.31 0.00 0.00 55.95 57.61 1riv s SER 120 Cb -0.10 -0.89 0.02 0.00 0.21 0.00 0.00 66.02 65.25 1riv s SER 120 CO 0.43 0.34 -0.18 -0.69 0.41 0.00 0.00 173.24 173.55 1riv s VAL 121 N -0.77 1.83 -0.13 3.43 1.01 -1.26 -1.39 120.40 123.11 1riv s VAL 121 Ca 0.12 -0.81 0.02 0.00 0.00 0.00 0.00 61.98 61.31 1riv s VAL 121 Cb -0.11 -1.66 -0.00 0.00 0.00 0.00 0.00 36.38 34.61 1riv s VAL 121 CO 0.01 0.50 -0.19 -0.31 0.00 0.00 0.00 175.10 175.12 1riv s TYR 122 N 1.24 2.70 0.41 5.22 2.02 0.52 -4.97 117.35 124.49 1riv s TYR 122 Ca 0.02 -1.03 -0.23 0.00 -0.37 0.00 0.00 57.07 55.46 1riv s TYR 122 Cb -0.14 -1.82 -0.09 0.00 -0.40 0.00 0.00 41.96 39.52 1riv s TYR 122 CO -0.09 -0.44 1.02 -1.25 -1.57 0.00 0.00 175.55 173.22 1riv s PRO 123 N 0.59 4.16 -0.27 -1.71 0.04 -1.26 -0.48 135.00 136.08 1riv s PRO 123 Ca -0.11 1.39 0.02 0.00 0.04 0.00 0.00 61.00 62.34 1riv s PRO 123 Cb -0.16 -2.42 0.07 0.00 0.04 0.00 0.00 34.50 32.03 1riv s PRO 123 CO 0.03 -0.12 -0.04 -0.51 0.04 0.00 0.00 177.00 176.40 1riv s LEU 124 N -2.83 3.20 0.11 -3.56 1.43 0.10 -4.87 118.68 112.26 1riv s LEU 124 Ca 0.59 -1.45 0.06 0.00 -1.03 0.00 0.00 54.13 52.31 1riv s LEU 124 Cb -0.18 -1.35 -0.04 0.00 0.03 0.00 0.00 46.19 44.65 1riv s LEU 124 CO 0.23 -0.26 -0.01 0.00 0.23 0.00 0.00 176.35 176.54 1riv s ALA 125 N 1.23 3.23 0.68 4.21 0.00 -1.26 -1.22 121.76 128.63 1riv s ALA 125 Ca -0.03 -1.19 -0.17 0.00 0.00 0.00 0.00 51.96 50.57 1riv s ALA 125 Cb -0.19 -1.11 0.00 0.00 0.00 0.00 0.00 23.12 21.82 1riv s ALA 125 CO -0.07 0.64 1.14 -2.30 0.00 0.00 0.00 175.76 175.18 1riv n PRO 126 N 0.43 0.79 -0.03 0.00 -0.02 -1.26 -4.87 135.00 130.03 1riv n PRO 126 Ca -0.11 0.33 -0.00 0.00 -2.02 0.00 0.00 63.50 61.69 1riv n PRO 126 Cb 0.53 -2.38 -0.00 0.00 -0.02 0.00 0.00 33.50 31.62 1riv n PRO 126 CO 0.00 0.00 0.00 0.78 1.98 0.00 0.00 175.50 178.26 1riv h GLY 127 N 0.11 0.00 0.00 -1.23 0.00 -1.98 -3.39 103.07 96.59 1riv h GLY 127 Ca -0.49 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.84 1riv h GLY 127 CO 0.50 0.00 0.00 -1.14 0.00 0.00 0.00 176.54 175.90 1riv n SER 128 N -3.85 -0.58 -4.81 0.19 3.41 -1.26 -4.87 113.62 101.86 1riv n SER 128 Ca -0.00 -0.27 -0.35 0.00 -0.26 0.00 0.00 58.87 57.99 1riv n SER 128 Cb 0.02 0.00 -0.07 0.00 -0.26 0.00 0.00 64.21 63.90 1riv n SER 128 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 1riv s GLY 129 N -1.83 2.04 0.52 5.00 0.00 -1.26 -5.03 107.32 106.76 1riv s GLY 129 Ca 0.00 -0.77 -0.20 0.00 0.00 0.00 0.00 44.72 43.75 1riv s GLY 129 CO 0.00 -0.57 1.14 -0.32 0.00 0.00 0.00 173.10 173.35 1riv s GLY 130 N -1.33 2.68 -0.10 0.20 0.00 -1.26 -5.01 107.32 102.50 1riv s GLY 130 Ca 0.19 0.87 -0.02 0.00 0.00 0.00 0.00 44.72 45.75 1riv s GLY 130 CO 0.09 1.25 0.09 0.00 0.00 0.00 0.00 173.10 174.53 1riv n ALA 131 N -1.06 -3.06 0.00 3.20 0.00 -1.26 -5.04 120.51 113.29 1riv n ALA 131 Ca 0.10 0.24 0.00 0.00 0.00 0.00 0.00 53.44 53.79 1riv n ALA 131 Cb 0.50 -0.71 0.00 0.00 0.00 0.00 0.00 19.45 19.24 1riv n ALA 131 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1riv n GLY 135 N -0.17 0.86 0.31 0.00 0.00 -1.26 -5.16 105.19 99.78 1riv n GLY 135 Ca 0.02 -0.07 -0.06 0.00 0.00 0.00 0.00 46.02 45.91 1riv n GLY 135 CO 0.00 0.00 0.00 0.23 0.00 0.00 0.00 173.32 173.55 1riv h SER 136 N 0.00 0.97 -3.55 1.61 0.87 -1.97 -3.42 113.55 108.05 1riv h SER 136 Ca 0.00 -0.21 -0.67 0.00 -1.23 0.00 0.00 61.79 59.68 1riv h SER 136 Cb 0.00 -0.25 -0.20 0.00 -0.44 0.00 0.00 62.40 61.51 1riv h SER 136 CO 0.00 0.95 -0.84 -0.04 -0.53 0.00 0.00 176.83 176.37 1riv s MET 137 N -5.21 1.51 -0.01 2.24 1.00 -1.26 -1.40 119.30 116.17 1riv s MET 137 Ca -0.11 -1.41 0.05 0.00 0.00 0.00 0.00 55.69 54.22 1riv s MET 137 Cb 0.15 -1.91 -0.01 0.00 0.00 0.00 0.00 34.83 33.06 1riv s MET 137 CO 0.83 0.43 -0.15 0.54 0.00 0.00 0.00 175.02 176.68 1riv s VAL 138 N -1.35 1.16 -0.17 -6.03 0.11 0.10 -4.78 120.40 109.45 1riv s VAL 138 Ca 0.18 -0.64 -0.04 0.00 -2.93 0.00 0.00 61.98 58.55 1riv s VAL 138 Cb -0.09 -0.97 -0.03 0.00 -1.53 0.00 0.00 36.38 33.76 1riv s VAL 138 CO 0.08 0.32 -0.03 -0.89 -3.33 0.00 0.00 175.10 171.26 1riv s THR 139 N -0.36 3.93 0.36 5.04 2.01 -1.26 -0.95 115.64 124.41 1riv s THR 139 Ca 0.06 -0.34 0.09 0.00 0.31 0.00 0.00 61.69 61.81 1riv s THR 139 Cb -0.06 -2.74 -0.06 0.00 0.01 0.00 0.00 72.50 69.66 1riv s THR 139 CO -0.01 0.48 0.00 -0.76 -0.69 0.00 0.00 174.62 173.64 1riv s LEU 140 N 0.52 2.92 0.24 4.42 1.43 -0.08 -4.52 118.68 123.62 1riv s LEU 140 Ca -0.02 -1.09 -0.11 0.00 -1.03 0.00 0.00 54.13 51.87 1riv s LEU 140 Cb -0.14 -1.23 -0.01 0.00 0.03 0.00 0.00 46.19 44.84 1riv s LEU 140 CO 0.03 -0.28 0.43 -0.83 0.23 0.00 0.00 176.35 175.92 1riv s GLY 141 N -3.71 0.67 -0.04 -3.19 0.00 -0.35 -1.14 107.32 99.56 1riv s GLY 141 Ca 0.35 -1.00 -0.01 0.00 0.00 0.00 0.00 44.72 44.06 1riv s GLY 141 CO 0.19 -0.74 0.07 0.00 0.00 0.00 0.00 173.10 172.62 1riv s LEU 143 N 1.39 3.69 -0.27 0.00 2.96 0.37 -1.48 118.68 125.35 1riv s LEU 143 Ca -0.05 -0.01 0.03 0.00 -0.22 0.00 0.00 54.13 53.88 1riv s LEU 143 Cb -0.12 -1.95 0.07 0.00 0.50 0.00 0.00 46.19 44.68 1riv s LEU 143 CO -0.04 0.11 -0.08 -0.69 -1.32 0.00 0.00 176.35 174.34 1riv s VAL 144 N 0.72 2.13 0.11 1.68 1.01 0.85 -0.35 120.40 126.55 1riv s VAL 144 Ca 0.03 -1.71 0.01 0.00 0.00 0.00 0.00 61.98 60.31 1riv s VAL 144 Cb -0.13 -2.30 -0.04 0.00 0.00 0.00 0.00 36.38 33.91 1riv s VAL 144 CO 0.02 -0.12 -0.02 -1.59 0.00 0.00 0.00 175.10 173.39 1riv s LYS 145 N 1.10 0.86 0.00 2.72 -2.85 -0.48 -0.32 119.74 120.76 1riv s LYS 145 Ca -0.06 -1.37 0.00 0.00 -1.00 0.00 0.00 55.97 53.54 1riv s LYS 145 Cb -0.20 -0.05 0.00 0.00 -2.06 0.00 0.00 37.83 35.53 1riv s LYS 145 CO -0.06 -0.11 0.00 0.41 0.10 0.00 0.00 175.35 175.70 1riv n GLY 146 N -0.06 0.60 3.98 0.59 0.00 0.02 -0.85 105.19 109.46 1riv n GLY 146 Ca -0.10 -0.11 -0.20 0.00 0.00 0.00 0.00 46.02 45.61 1riv n GLY 146 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1riv s TYR 147 N -2.00 3.13 -0.28 1.61 1.13 -1.22 -4.58 117.35 115.14 1riv s TYR 147 Ca 0.00 -0.11 -0.21 0.00 -1.41 0.00 0.00 57.07 55.35 1riv s TYR 147 Cb 0.00 -2.09 0.12 0.00 -1.10 0.00 0.00 41.96 38.90 1riv s TYR 147 CO 0.00 -0.11 0.96 0.12 -2.51 0.00 0.00 175.55 174.01 1riv s PHE 148 N -2.28 -0.59 0.00 -3.49 5.36 -0.54 -2.14 117.98 114.31 1riv s PHE 148 Ca 0.46 1.29 0.00 0.00 -0.96 0.00 0.00 56.93 57.72 1riv s PHE 148 Cb -0.10 0.38 0.00 0.00 -0.34 0.00 0.00 43.02 42.96 1riv s PHE 148 CO 0.33 -0.29 0.00 -0.35 -1.46 0.00 0.00 175.22 173.45 1riv n PRO 149 N 3.04 0.92 -1.77 10.12 -0.04 -1.26 0.00 135.00 146.01 1riv n PRO 149 Ca -0.16 0.00 -0.31 0.00 -0.04 0.00 0.00 63.50 63.00 1riv n PRO 149 Cb 0.57 0.00 0.04 0.00 -0.04 0.00 0.00 33.50 34.07 1riv n PRO 149 CO 0.00 0.00 0.00 -1.21 -0.04 0.00 0.00 175.50 174.25 1riv s GLU 150 N -1.66 3.06 0.41 0.54 0.41 -1.26 -4.79 118.70 115.42 1riv s GLU 150 Ca 0.00 0.70 0.08 0.00 -0.41 0.00 0.00 54.97 55.33 1riv s GLU 150 Cb 0.00 -2.02 -0.01 0.00 -1.78 0.00 0.00 34.13 30.31 1riv s GLU 150 CO 0.00 -0.94 0.43 -1.25 -0.49 0.00 0.00 175.26 173.01 1riv s PRO 151 N -5.20 2.65 0.10 0.39 0.04 -1.26 -4.97 135.00 126.76 1riv s PRO 151 Ca 0.57 -1.42 0.08 0.00 0.04 0.00 0.00 61.00 60.27 1riv s PRO 151 Cb -0.12 -2.51 -0.03 0.00 0.04 0.00 0.00 34.50 31.88 1riv s PRO 151 CO 0.54 -0.19 -0.20 0.14 0.04 0.00 0.00 177.00 177.33 1riv s VAL 152 N -2.42 1.67 -0.08 -0.36 -7.23 -1.26 -4.36 120.40 106.37 1riv s VAL 152 Ca 0.50 -1.54 0.02 0.00 -1.81 0.00 0.00 61.98 59.14 1riv s VAL 152 Cb -0.06 -1.53 -0.02 0.00 0.56 0.00 0.00 36.38 35.33 1riv s VAL 152 CO 0.29 -0.09 -0.11 0.42 -0.31 0.00 0.00 175.10 175.31 1riv s THR 153 N -1.21 3.30 -0.05 5.32 -4.23 -0.25 -4.97 115.64 113.54 1riv s THR 153 Ca 0.06 -0.62 0.04 0.00 -1.18 0.00 0.00 61.69 59.99 1riv s THR 153 Cb -0.10 -2.34 -0.00 0.00 1.34 0.00 0.00 72.50 71.40 1riv s THR 153 CO 0.04 0.57 -0.18 -0.69 -0.54 0.00 0.00 174.62 173.82 1riv s VAL 154 N -0.48 1.54 0.11 2.29 1.01 -1.26 -1.59 120.40 122.02 1riv s VAL 154 Ca 0.06 -0.76 0.01 0.00 0.00 0.00 0.00 61.98 61.29 1riv s VAL 154 Cb -0.12 -1.33 -0.04 0.00 0.00 0.00 0.00 36.38 34.89 1riv s VAL 154 CO 0.02 0.44 -0.02 0.42 0.00 0.00 0.00 175.10 175.96 1riv s THR 156 N 0.12 0.51 -0.13 3.92 -4.23 -0.58 -5.00 115.64 110.26 1riv s THR 156 Ca -0.07 -1.92 0.02 0.00 -1.18 0.00 0.00 61.69 58.55 1riv s THR 156 Cb -0.13 -1.81 -0.00 0.00 1.34 0.00 0.00 72.50 71.90 1riv s THR 156 CO 0.03 -0.74 -0.20 0.26 -0.54 0.00 0.00 174.62 173.43 1riv s TRP 157 N -3.75 2.68 -1.33 3.99 0.52 -1.26 -0.99 118.94 118.80 1riv s TRP 157 Ca 0.16 -1.05 -0.01 0.00 0.02 0.00 0.00 56.10 55.22 1riv s TRP 157 Cb 0.06 -1.80 -0.00 0.00 -1.15 0.00 0.00 33.47 30.59 1riv s TRP 157 CO -0.03 -0.44 0.61 0.09 0.02 0.00 0.00 176.95 177.21 1riv n ASN 162 N 3.76 -1.06 -3.20 2.95 3.02 0.32 -1.64 115.26 119.42 1riv n ASN 162 Ca -0.19 -0.88 -0.21 0.00 -0.03 0.00 0.00 54.58 53.26 1riv n ASN 162 Cb 0.52 -3.73 -0.00 0.00 -0.61 0.00 0.00 39.78 35.96 1riv n ASN 162 CO 0.00 0.00 0.00 -1.20 -2.62 0.00 0.00 177.26 173.44 1riv n SER 163 N -3.02 -3.75 0.00 6.41 7.64 -1.26 -0.99 113.62 118.65 1riv n SER 163 Ca -0.30 -0.28 0.00 0.00 1.01 0.00 0.00 58.87 59.30 1riv n SER 163 Cb 0.68 -3.12 0.00 0.00 -1.01 0.00 0.00 64.21 60.76 1riv n SER 163 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1riv n GLY 164 N -1.11 3.31 0.33 0.23 0.00 -0.65 -4.94 105.19 102.36 1riv n GLY 164 Ca -0.04 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.02 1riv n GLY 164 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1riv h ALA 165 N 0.00 1.66 -2.61 4.61 0.00 -0.94 -3.36 119.26 118.61 1riv h ALA 165 Ca 0.00 -0.03 -0.70 0.00 0.00 0.00 0.00 54.91 54.18 1riv h ALA 165 Cb 0.00 -0.21 -0.20 0.00 0.00 0.00 0.00 17.79 17.39 1riv h ALA 165 CO 0.00 0.30 -0.45 -0.51 0.00 0.00 0.00 179.25 178.58 1riv s LEU 166 N -9.63 4.80 0.00 0.00 1.43 -0.90 -4.86 118.68 109.52 1riv s LEU 166 Ca -0.09 -0.65 0.00 0.00 -1.03 0.00 0.00 54.13 52.36 1riv s LEU 166 Cb 0.18 -2.15 0.00 0.00 0.03 0.00 0.00 46.19 44.25 1riv s LEU 166 CO 0.75 -0.34 0.00 -1.54 0.23 0.00 0.00 176.35 175.46 1riv n SER 167 N 5.13 2.32 0.08 2.29 3.41 -1.26 -4.11 113.62 121.48 1riv n SER 167 Ca -0.12 0.00 -0.09 0.00 -0.26 0.00 0.00 58.87 58.40 1riv n SER 167 Cb 0.48 0.18 -0.05 0.00 -0.26 0.00 0.00 64.21 64.56 1riv n SER 167 CO 0.00 0.00 0.00 0.77 -0.16 0.00 0.00 175.04 175.65 1riv h SER 168 N 0.00 -0.80 -0.51 4.04 4.64 -1.94 -3.13 113.55 115.85 1riv h SER 168 Ca 0.00 0.08 -0.33 0.00 -0.47 0.00 0.00 61.79 61.07 1riv h SER 168 Cb 0.49 0.29 -0.15 0.00 -0.31 0.00 0.00 62.40 62.72 1riv h SER 168 CO 0.00 -0.30 0.43 0.61 -0.87 0.00 0.00 176.83 176.69 1riv n GLY 169 N -1.26 4.03 3.83 -0.77 0.00 -1.26 -4.92 105.19 104.84 1riv n GLY 169 Ca -0.05 -1.05 -0.36 0.00 0.00 0.00 0.00 46.02 44.55 1riv n GLY 169 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1riv s VAL 171 N -2.31 5.36 -0.14 1.61 1.01 -1.18 -1.18 120.40 123.56 1riv s VAL 171 Ca 0.32 0.15 -0.01 0.00 0.00 0.00 0.00 61.98 62.45 1riv s VAL 171 Cb 0.26 -3.34 0.04 0.00 0.00 0.00 0.00 36.38 33.33 1riv s VAL 171 CO 0.01 0.59 -0.03 -1.00 0.00 0.00 0.00 175.10 174.67 1riv s HIS 172 N -0.79 1.34 -0.27 5.22 3.76 -0.35 -4.99 115.29 119.21 1riv s HIS 172 Ca 0.13 -0.81 -0.05 0.00 -0.15 0.00 0.00 55.06 54.18 1riv s HIS 172 Cb -0.12 -1.15 0.01 0.00 1.11 0.00 0.00 32.58 32.44 1riv s HIS 172 CO 0.03 -0.54 0.02 0.99 -0.85 0.00 0.00 174.74 174.39 1riv s THR 173 N 1.75 3.54 0.40 1.30 2.01 -1.26 -0.42 115.64 122.95 1riv s THR 173 Ca 0.02 -0.81 -0.14 0.00 0.31 0.00 0.00 61.69 61.07 1riv s THR 173 Cb -0.15 -2.81 -0.08 0.00 0.01 0.00 0.00 72.50 69.48 1riv s THR 173 CO -0.07 0.14 0.81 -0.36 -0.69 0.00 0.00 174.62 174.44 1riv s PHE 174 N 1.43 3.43 0.42 4.92 0.40 -0.68 -5.02 117.98 122.89 1riv s PHE 174 Ca 0.02 1.21 -0.26 0.00 -0.60 0.00 0.00 56.93 57.30 1riv s PHE 174 Cb -0.17 -2.56 -0.09 0.00 0.51 0.00 0.00 43.02 40.71 1riv s PHE 174 CO -0.00 -0.09 1.39 -2.30 0.70 0.00 0.00 175.22 174.91 1riv n PRO 175 N -1.02 2.23 -1.63 0.24 -0.02 -1.26 -4.46 135.00 129.07 1riv n PRO 175 Ca 0.04 0.79 -0.34 0.00 -2.02 0.00 0.00 63.50 61.97 1riv n PRO 175 Cb 0.54 -2.55 0.07 0.00 -0.02 0.00 0.00 33.50 31.54 1riv n PRO 175 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1riv s ALA 176 N -1.17 2.32 -0.02 3.55 0.00 -1.26 -4.79 121.76 120.38 1riv s ALA 176 Ca 0.59 0.70 0.07 0.00 0.00 0.00 0.00 51.96 53.33 1riv s ALA 176 Cb -0.48 -3.39 -0.02 0.00 0.00 0.00 0.00 23.12 19.24 1riv s ALA 176 CO 0.59 -1.53 -0.23 0.08 0.00 0.00 0.00 175.76 174.67 1riv s VAL 177 N -2.16 1.83 -0.08 0.00 1.01 0.17 -4.93 120.40 116.24 1riv s VAL 177 Ca 0.70 -0.98 0.02 0.00 0.00 0.00 0.00 61.98 61.72 1riv s VAL 177 Cb -0.24 -1.52 -0.02 0.00 0.00 0.00 0.00 36.38 34.59 1riv s VAL 177 CO 0.43 0.52 -0.14 -0.22 0.00 0.00 0.00 175.10 175.68 1riv s LEU 178 N -0.50 2.74 0.00 3.92 2.96 -1.26 -0.87 118.68 125.67 1riv s LEU 178 Ca 0.08 -0.24 0.00 0.00 -0.22 0.00 0.00 54.13 53.75 1riv s LEU 178 Cb -0.09 -1.57 0.00 0.00 0.50 0.00 0.00 46.19 45.02 1riv s LEU 178 CO -0.00 0.29 0.00 0.00 -1.32 0.00 0.00 176.35 175.31 1riv n GLN 179 N 2.70 0.00 0.32 1.98 -0.00 -1.00 -5.00 117.38 116.37 1riv n GLN 179 Ca -0.17 0.00 0.20 0.00 -0.00 0.00 0.00 57.00 57.02 1riv n GLN 179 Cb 0.52 0.00 1.07 0.00 -0.00 0.00 0.00 30.24 31.83 1riv n GLN 179 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.06 177.72 1riv h SER 180 N 0.00 0.00 -0.48 2.61 4.64 -2.03 0.14 113.55 118.43 1riv h SER 180 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1riv h SER 180 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 1riv h SER 180 CO 0.00 0.00 0.00 0.47 -0.87 0.00 0.00 176.83 176.43 1riv n ASP 181 N -3.29 4.19 0.00 4.97 8.00 -1.26 -5.04 116.55 124.11 1riv n ASP 181 Ca -0.02 -2.51 0.00 0.00 0.71 0.00 0.00 54.79 52.97 1riv n ASP 181 Cb 0.14 -0.57 0.00 0.00 -0.02 0.00 0.00 41.12 40.67 1riv n ASP 181 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 1riv n LEU 184 N 0.69 0.00 -4.76 0.64 4.77 0.50 -3.57 117.00 115.26 1riv n LEU 184 Ca 0.21 0.00 -0.39 0.00 -0.03 0.00 0.00 56.01 55.79 1riv n LEU 184 Cb 0.83 0.00 -0.06 0.00 -2.33 0.00 0.00 43.42 41.86 1riv n LEU 184 CO 0.22 0.00 0.61 -0.31 -1.33 0.00 0.00 177.39 176.58 1riv s TYR 185 N 0.00 3.91 -0.08 -1.77 2.02 -0.91 -2.37 117.35 118.15 1riv s TYR 185 Ca 0.00 1.83 0.00 0.00 -0.37 0.00 0.00 57.07 58.53 1riv s TYR 185 Cb 0.00 -2.92 0.02 0.00 -0.40 0.00 0.00 41.96 38.66 1riv s TYR 185 CO 0.00 0.42 -0.07 0.99 -1.57 0.00 0.00 175.55 175.32 1riv s THR 186 N -1.26 0.88 0.02 -0.71 2.01 -0.05 -0.80 115.64 115.72 1riv s THR 186 Ca 0.42 -0.24 0.04 0.00 0.31 0.00 0.00 61.69 62.21 1riv s THR 186 Cb -0.24 -0.89 -0.02 0.00 0.01 0.00 0.00 72.50 71.37 1riv s THR 186 CO 0.29 0.33 -0.12 -0.22 -0.69 0.00 0.00 174.62 174.21 1riv s LEU 187 N 1.38 2.12 0.15 4.42 0.20 0.56 -0.65 118.68 126.85 1riv s LEU 187 Ca -0.02 -0.35 0.08 0.00 0.69 0.00 0.00 54.13 54.53 1riv s LEU 187 Cb -0.14 -0.52 -0.04 0.00 -0.43 0.00 0.00 46.19 45.06 1riv s LEU 187 CO -0.04 0.05 -0.17 -0.94 -0.29 0.00 0.00 176.35 174.96 1riv s SER 188 N -0.80 2.49 -0.01 3.68 1.04 -1.26 -0.10 113.70 118.73 1riv s SER 188 Ca 0.01 -0.85 -0.01 0.00 0.48 0.00 0.00 55.95 55.58 1riv s SER 188 Cb -0.06 -0.13 0.00 0.00 0.10 0.00 0.00 66.02 65.93 1riv s SER 188 CO 0.00 -0.07 0.04 -0.55 0.98 0.00 0.00 173.24 173.65 1riv s SER 189 N -2.60 -0.03 0.20 7.02 0.15 -0.55 -1.68 113.70 116.20 1riv s SER 189 Ca 0.14 0.07 0.09 0.00 0.70 0.00 0.00 55.95 56.95 1riv s SER 189 Cb -0.05 0.07 -0.05 0.00 -1.71 0.00 0.00 66.02 64.28 1riv s SER 189 CO 0.06 -0.02 -0.16 -0.94 1.20 0.00 0.00 173.24 173.37 1riv s SER 190 N 0.08 2.75 -0.04 5.45 1.04 0.44 -0.58 113.70 122.83 1riv s SER 190 Ca -0.00 -0.97 -0.03 0.00 0.48 0.00 0.00 55.95 55.43 1riv s SER 190 Cb -0.01 -0.17 0.02 0.00 0.10 0.00 0.00 66.02 65.97 1riv s SER 190 CO -0.00 -0.10 0.10 0.54 0.98 0.00 0.00 173.24 174.76 1riv s VAL 191 N -2.62 -0.02 -0.18 5.02 0.11 -0.29 -1.21 120.40 121.20 1riv s VAL 191 Ca 0.21 0.08 -0.02 0.00 -2.93 0.00 0.00 61.98 59.32 1riv s VAL 191 Cb -0.03 -0.16 -0.01 0.00 -1.53 0.00 0.00 36.38 34.65 1riv s VAL 191 CO 0.08 0.03 -0.09 -0.89 -3.33 0.00 0.00 175.10 170.90 1riv s THR 192 N 0.50 3.15 0.18 5.04 2.01 -0.33 -0.90 115.64 125.29 1riv s THR 192 Ca -0.04 -0.59 0.04 0.00 0.31 0.00 0.00 61.69 61.41 1riv s THR 192 Cb -0.05 -2.39 -0.05 0.00 0.01 0.00 0.00 72.50 70.02 1riv s THR 192 CO -0.02 0.47 -0.05 0.68 -0.69 0.00 0.00 174.62 175.01 1riv s VAL 193 N 1.06 1.04 0.64 3.82 -7.23 -0.13 -4.41 120.40 115.19 1riv s VAL 193 Ca 0.00 -2.04 -0.18 0.00 -1.81 0.00 0.00 61.98 57.95 1riv s VAL 193 Cb -0.15 -2.05 -0.01 0.00 0.56 0.00 0.00 36.38 34.74 1riv s VAL 193 CO -0.01 -0.57 1.29 -2.84 -0.31 0.00 0.00 175.10 172.65 1riv s PRO 194 N -3.81 2.57 0.00 4.82 0.02 -1.26 0.03 135.00 137.37 1riv s PRO 194 Ca 0.21 2.05 0.16 0.00 0.02 0.00 0.00 61.00 63.44 1riv s PRO 194 Cb 0.04 -1.85 0.67 0.00 0.02 0.00 0.00 34.50 33.38 1riv s PRO 194 CO 0.04 -1.58 1.50 -1.13 -0.33 0.00 0.00 177.00 175.50 1riv n SER 195 N -1.89 0.00 -0.29 2.53 3.41 -0.49 -1.38 113.62 115.50 1riv n SER 195 Ca 0.16 0.48 0.14 0.00 -0.26 0.00 0.00 58.87 59.38 1riv n SER 195 Cb 0.48 -0.49 0.48 0.00 -0.26 0.00 0.00 64.21 64.42 1riv n SER 195 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 1riv n SER 196 N -1.49 1.06 -0.13 4.04 3.41 -1.26 -4.01 113.62 115.24 1riv n SER 196 Ca 0.04 -1.03 -0.26 0.00 -0.26 0.00 0.00 58.87 57.35 1riv n SER 196 Cb 0.18 0.06 -0.11 0.00 -0.26 0.00 0.00 64.21 64.08 1riv n SER 196 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 175.04 175.29 1riv n THR 198 N -0.45 1.53 -4.98 6.66 -1.04 -0.48 -4.78 114.28 110.74 1riv n THR 198 Ca 0.15 -0.40 -0.32 0.00 -2.04 0.00 0.00 64.05 61.44 1riv n THR 198 Cb 0.33 -1.79 -0.14 0.00 -1.82 0.00 0.00 70.33 66.92 1riv n THR 198 CO 0.00 0.00 0.00 0.86 -0.64 0.00 0.00 175.07 175.29 1riv s TRP 199 N -2.50 2.53 -2.13 -1.42 -0.00 -1.17 0.43 118.94 114.67 1riv s TRP 199 Ca -0.36 -0.29 0.16 0.00 -0.00 0.00 0.00 56.10 55.61 1riv s TRP 199 Cb 0.12 -1.54 0.60 0.00 -0.00 0.00 0.00 33.47 32.66 1riv s TRP 199 CO 0.54 0.12 1.44 -0.35 -0.00 0.00 0.00 176.95 178.69 1riv n PRO 200 N 2.15 1.62 -0.08 5.86 -0.04 -1.26 -4.61 135.00 138.64 1riv n PRO 200 Ca -0.17 -0.94 -0.07 0.00 -0.04 0.00 0.00 63.50 62.29 1riv n PRO 200 Cb 0.52 -1.31 -0.01 0.00 -0.04 0.00 0.00 33.50 32.66 1riv n PRO 200 CO 0.00 0.00 0.00 0.77 -0.04 0.00 0.00 175.50 176.23 1riv h SER 202 N 1.74 -0.31 -2.81 3.54 0.02 -1.86 -3.42 113.55 110.46 1riv h SER 202 Ca 0.00 0.09 -0.51 0.00 -0.84 0.00 0.00 61.79 60.53 1riv h SER 202 Cb 0.39 0.19 -0.01 0.00 0.14 0.00 0.00 62.40 63.11 1riv h SER 202 CO 0.00 -0.11 -0.30 -1.10 -1.14 0.00 0.00 176.83 174.18 1riv s GLN 203 N -6.20 3.52 -0.01 3.45 -0.21 0.17 -5.06 119.66 115.31 1riv s GLN 203 Ca -0.14 -0.34 -0.30 0.00 0.02 0.00 0.00 55.36 54.60 1riv s GLN 203 Cb 0.12 -2.79 -0.04 0.00 1.00 0.00 0.00 33.01 31.30 1riv s GLN 203 CO 0.69 0.33 1.16 0.99 -2.12 0.00 0.00 175.29 176.35 1riv s THR 204 N -1.99 4.29 -0.16 -0.19 2.01 -1.26 -4.60 115.64 113.74 1riv s THR 204 Ca 0.39 1.62 0.02 0.00 0.31 0.00 0.00 61.69 64.03 1riv s THR 204 Cb -0.10 -4.04 0.01 0.00 0.01 0.00 0.00 72.50 68.37 1riv s THR 204 CO 0.30 0.06 -0.20 -0.69 -0.69 0.00 0.00 174.62 173.40 1riv s VAL 205 N 1.65 2.18 0.02 3.82 1.01 -1.26 -4.99 120.40 122.84 1riv s VAL 205 Ca 0.56 -0.93 0.06 0.00 0.00 0.00 0.00 61.98 61.68 1riv s VAL 205 Cb -0.25 -1.89 -0.02 0.00 0.00 0.00 0.00 36.38 34.21 1riv s VAL 205 CO 0.25 0.54 -0.19 -0.89 0.00 0.00 0.00 175.10 174.81 1riv s THR 206 N 0.97 1.54 -0.25 3.92 2.01 -1.26 -0.98 115.64 121.59 1riv s THR 206 Ca -0.03 -1.03 -0.09 0.00 0.31 0.00 0.00 61.69 60.85 1riv s THR 206 Cb -0.15 -1.32 -0.04 0.00 0.01 0.00 0.00 72.50 71.00 1riv s THR 206 CO -0.05 0.27 0.12 0.00 -0.69 0.00 0.00 174.62 174.26 1riv s ASN 209 N 1.44 4.56 -0.09 0.00 -0.87 -0.16 -1.54 114.94 118.29 1riv s ASN 209 Ca 0.06 -0.37 0.04 0.00 -1.57 0.00 0.00 52.86 51.03 1riv s ASN 209 Cb -0.15 -1.79 -0.01 0.00 -0.02 0.00 0.00 41.25 39.28 1riv s ASN 209 CO 0.06 -0.03 -0.23 -0.69 -2.57 0.00 0.00 177.10 173.64 1riv s VAL 210 N 1.51 2.23 -0.04 1.60 1.01 0.38 -1.52 120.40 125.57 1riv s VAL 210 Ca 0.06 -0.98 0.04 0.00 0.00 0.00 0.00 61.98 61.10 1riv s VAL 210 Cb -0.15 -1.85 -0.00 0.00 0.00 0.00 0.00 36.38 34.39 1riv s VAL 210 CO -0.01 0.56 -0.15 0.00 0.00 0.00 0.00 175.10 175.50 1riv s ALA 211 N 0.11 1.31 -0.43 5.51 0.00 -0.62 -0.84 121.76 126.80 1riv s ALA 211 Ca -0.11 -0.58 0.03 0.00 0.00 0.00 0.00 51.96 51.30 1riv s ALA 211 Cb -0.16 -0.44 0.12 0.00 0.00 0.00 0.00 23.12 22.65 1riv s ALA 211 CO 0.06 0.24 0.19 -1.58 0.00 0.00 0.00 175.76 174.67 1riv s HIS 212 N 0.06 2.73 0.23 0.00 2.46 -0.07 -1.09 115.29 119.61 1riv s HIS 212 Ca -0.03 -2.71 -0.08 0.00 0.47 0.00 0.00 55.06 52.71 1riv s HIS 212 Cb -0.10 -2.40 0.39 0.00 -0.13 0.00 0.00 32.58 30.33 1riv s HIS 212 CO 0.01 -0.82 1.66 -1.35 -2.47 0.00 0.00 174.74 171.78 1riv h PRO 213 N 7.02 0.15 -0.91 2.88 0.11 -1.82 -0.87 132.00 138.56 1riv h PRO 213 Ca -0.06 -0.01 0.15 0.00 0.11 0.00 0.00 66.00 66.19 1riv h PRO 213 Cb 0.95 -0.03 -0.07 0.00 0.11 0.00 0.00 31.00 31.95 1riv h PRO 213 CO 0.56 0.10 0.58 0.00 -0.21 0.00 0.00 178.00 179.04 1riv h ALA 214 N 1.62 1.83 -0.15 -0.75 0.00 -1.91 -1.79 119.26 118.11 1riv h ALA 214 Ca 0.38 0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.31 1riv h ALA 214 Cb 0.64 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.31 1riv h ALA 214 CO -0.56 -0.09 0.00 -1.13 0.00 0.00 0.00 179.25 177.47 1riv n SER 215 N -4.58 2.55 -2.36 0.00 3.41 -0.92 -4.96 113.62 106.77 1riv n SER 215 Ca 0.18 -1.74 -0.20 0.00 -0.26 0.00 0.00 58.87 56.85 1riv n SER 215 Cb 0.49 -0.09 -0.01 0.00 -0.26 0.00 0.00 64.21 64.34 1riv n SER 215 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 1riv n SER 216 N 0.86 -5.71 -4.82 4.04 7.64 -0.38 -4.97 113.62 110.28 1riv n SER 216 Ca 0.11 0.03 -0.38 0.00 1.01 0.00 0.00 58.87 59.64 1riv n SER 216 Cb 0.41 -4.78 -0.06 0.00 -1.01 0.00 0.00 64.21 58.77 1riv n SER 216 CO 0.00 0.00 0.00 -0.89 -3.01 0.00 0.00 175.04 171.14 1riv s THR 217 N -2.99 4.80 -0.02 0.44 2.01 -0.96 -4.95 115.64 113.97 1riv s THR 217 Ca 0.00 1.09 0.00 0.00 0.31 0.00 0.00 61.69 63.09 1riv s THR 217 Cb 0.00 -3.84 0.03 0.00 0.01 0.00 0.00 72.50 68.70 1riv s THR 217 CO 0.00 0.51 0.02 -1.10 -0.69 0.00 0.00 174.62 173.36 1riv s GLN 218 N -1.24 0.10 -0.01 4.92 -0.21 -1.26 -0.89 119.66 121.06 1riv s GLN 218 Ca 0.30 0.14 0.00 0.00 0.02 0.00 0.00 55.36 55.82 1riv s GLN 218 Cb -0.18 -0.35 0.02 0.00 1.00 0.00 0.00 33.01 33.50 1riv s GLN 218 CO 0.18 -0.16 0.01 0.08 -2.12 0.00 0.00 175.29 173.29 1riv s VAL 219 N 1.06 0.01 -0.19 1.09 1.01 -0.02 -5.01 120.40 118.35 1riv s VAL 219 Ca -0.09 0.10 0.01 0.00 0.00 0.00 0.00 61.98 62.00 1riv s VAL 219 Cb -0.13 -0.09 0.03 0.00 0.00 0.00 0.00 36.38 36.19 1riv s VAL 219 CO -0.02 0.06 -0.16 -1.81 0.00 0.00 0.00 175.10 173.17 1riv s ASP 220 N 0.59 3.35 -0.11 3.32 1.01 -1.26 -0.47 116.67 123.09 1riv s ASP 220 Ca -0.05 -0.80 0.03 0.00 0.71 0.00 0.00 52.55 52.44 1riv s ASP 220 Cb -0.07 -1.40 0.00 0.00 1.01 0.00 0.00 42.92 42.46 1riv s ASP 220 CO -0.02 -0.07 -0.23 -0.54 0.21 0.00 0.00 175.17 174.52 1riv s LYS 221 N 1.31 3.01 0.21 8.23 -0.14 -0.59 -4.96 119.74 126.80 1riv s LYS 221 Ca 0.01 -0.86 -0.20 0.00 -1.36 0.00 0.00 55.97 53.56 1riv s LYS 221 Cb -0.15 -2.33 -0.08 0.00 -1.68 0.00 0.00 37.83 33.59 1riv s LYS 221 CO -0.10 0.11 0.72 0.21 -0.76 0.00 0.00 175.35 175.53 1riv s LYS 222 N 0.51 4.27 -0.41 1.68 2.20 -1.26 -0.83 119.74 125.90 1riv s LYS 222 Ca -0.15 0.88 -0.20 0.00 -0.36 0.00 0.00 55.97 56.14 1riv s LYS 222 Cb -0.17 -2.91 0.02 0.00 -1.51 0.00 0.00 37.83 33.25 1riv s LYS 222 CO 0.05 0.41 0.60 0.42 -0.36 0.00 0.00 175.35 176.47 1riv s ILE 223 N -1.49 4.90 -0.02 5.43 -1.09 -0.15 -4.85 121.20 123.93 1riv s ILE 223 Ca 0.42 0.19 0.02 0.00 -2.23 0.00 0.00 60.65 59.06 1riv s ILE 223 Cb -0.17 -4.13 -0.03 0.00 -1.58 0.00 0.00 42.46 36.55 1riv s ILE 223 CO 0.21 -0.47 -0.07 0.68 -1.23 0.00 0.00 174.94 174.07 1riv s VAL 226 N 2.66 3.68 0.28 2.92 -7.23 -1.26 -4.64 120.40 116.81 1riv s VAL 226 Ca 0.21 -0.68 -0.30 0.00 -1.81 0.00 0.00 61.98 59.40 1riv s VAL 226 Cb -0.15 -2.57 -0.12 0.00 0.56 0.00 0.00 36.38 34.11 1riv s VAL 226 CO 0.17 0.46 1.60 -2.65 -0.31 0.00 0.00 175.10 174.37 1riv n PRO 227 N 1.75 2.68 0.00 4.82 -0.02 -1.26 -4.71 135.00 138.27 1riv n PRO 227 Ca -0.16 0.95 0.12 0.00 -2.02 0.00 0.00 63.50 62.39 1riv n PRO 227 Cb 0.53 -2.74 0.14 0.00 -0.02 0.00 0.00 33.50 31.41 1riv n PRO 227 CO 0.00 0.00 0.00 0.36 1.98 0.00 0.00 175.50 177.84