#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2vyr n VAL 2 N 0.00 0.62 -3.96 6.31 0.31 -1.26 -4.42 118.33 115.93 2vyr n VAL 2 Ca 0.00 -0.15 -0.23 0.00 -0.01 0.00 0.00 64.34 63.94 2vyr n VAL 2 Cb 0.00 -1.38 -0.17 0.00 -0.91 0.00 0.00 33.84 31.38 2vyr n VAL 2 CO 0.00 0.00 0.00 -1.10 -1.32 0.00 0.00 176.83 174.41 2vyr s GLN 3 N 0.02 1.01 -0.06 5.55 -1.52 -0.02 -4.98 119.66 119.66 2vyr s GLN 3 Ca 0.73 -0.08 0.03 0.00 -1.95 0.00 0.00 55.36 54.08 2vyr s GLN 3 Cb -0.70 -1.15 0.01 0.00 -0.22 0.00 0.00 33.01 30.95 2vyr s GLN 3 CO 0.46 -0.22 -0.12 -0.51 -0.25 0.00 0.00 175.29 174.66 2vyr s LEU 4 N 1.55 1.69 -0.06 2.90 1.43 -1.26 -1.61 118.68 123.33 2vyr s LEU 4 Ca -0.00 -0.28 -0.02 0.00 -1.03 0.00 0.00 54.13 52.80 2vyr s LEU 4 Cb -0.13 -0.79 0.03 0.00 0.03 0.00 0.00 46.19 45.33 2vyr s LEU 4 CO -0.04 0.05 0.04 -0.22 0.23 0.00 0.00 176.35 176.41 2vyr s LEU 5 N 0.52 0.34 0.08 1.79 0.20 -0.44 -4.25 118.68 116.91 2vyr s LEU 5 Ca -0.11 -0.02 -0.09 0.00 0.69 0.00 0.00 54.13 54.59 2vyr s LEU 5 Cb -0.14 -0.27 -0.06 0.00 -0.43 0.00 0.00 46.19 45.29 2vyr s LEU 5 CO 0.03 -0.23 0.40 -1.61 -0.29 0.00 0.00 176.35 174.64 2vyr s GLU 6 N 2.09 3.75 0.27 1.98 2.02 -1.26 -0.30 118.70 127.24 2vyr s GLU 6 Ca 0.05 0.15 -0.12 0.00 0.02 0.00 0.00 54.97 55.07 2vyr s GLU 6 Cb -0.12 -2.99 -0.00 0.00 0.10 0.00 0.00 34.13 31.12 2vyr s GLU 6 CO -0.04 0.56 0.50 -1.54 0.02 0.00 0.00 175.26 174.76 2vyr s SER 7 N -1.79 0.02 0.00 -0.19 1.04 0.03 -4.74 113.70 108.07 2vyr s SER 7 Ca 0.33 -1.00 0.00 0.00 0.48 0.00 0.00 55.95 55.77 2vyr s SER 7 Cb -0.14 0.61 0.00 0.00 0.10 0.00 0.00 66.02 66.59 2vyr s SER 7 CO 0.18 -1.19 0.00 0.61 0.98 0.00 0.00 173.24 173.82 2vyr n GLY 8 N -0.41 0.69 3.84 7.32 0.00 -1.26 -0.83 105.19 114.53 2vyr n GLY 8 Ca -0.02 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.71 2vyr n GLY 8 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2vyr s GLY 9 N -0.63 1.61 0.00 -0.02 0.00 -1.26 -4.51 107.32 102.51 2vyr s GLY 9 Ca 0.00 -0.39 0.00 0.00 0.00 0.00 0.00 44.72 44.33 2vyr s GLY 9 CO 0.00 0.06 0.00 0.61 0.00 0.00 0.00 173.10 173.77 2vyr n GLY 10 N -2.57 -1.41 3.70 0.20 0.00 -0.49 -4.93 105.19 99.69 2vyr n GLY 10 Ca 0.07 -1.08 -0.35 0.00 0.00 0.00 0.00 46.02 44.66 2vyr n GLY 10 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2vyr s LEU 11 N 0.00 3.96 0.05 0.99 0.20 -1.26 -1.31 118.68 121.31 2vyr s LEU 11 Ca 0.00 0.18 -0.04 0.00 0.69 0.00 0.00 54.13 54.96 2vyr s LEU 11 Cb 0.00 -1.99 -0.02 0.00 -0.43 0.00 0.00 46.19 43.75 2vyr s LEU 11 CO 0.00 0.24 0.06 -0.69 -0.29 0.00 0.00 176.35 175.66 2vyr s VAL 12 N -0.01 0.17 0.42 1.68 1.01 0.21 -4.98 120.40 118.88 2vyr s VAL 12 Ca 0.07 -1.37 -0.10 0.00 0.00 0.00 0.00 61.98 60.58 2vyr s VAL 12 Cb -0.12 -1.17 -0.06 0.00 0.00 0.00 0.00 36.38 35.03 2vyr s VAL 12 CO 0.01 -0.76 0.77 -1.10 0.00 0.00 0.00 175.10 174.02 2vyr s GLN 13 N -3.27 3.73 0.34 2.72 -0.21 -1.26 -1.17 119.66 120.55 2vyr s GLN 13 Ca 0.01 0.42 -0.25 0.00 0.02 0.00 0.00 55.36 55.55 2vyr s GLN 13 Cb 0.03 -2.39 -0.13 0.00 1.00 0.00 0.00 33.01 31.51 2vyr s GLN 13 CO -0.08 -0.06 0.78 -2.30 -2.12 0.00 0.00 175.29 171.51 2vyr n PRO 14 N -1.45 0.89 0.00 2.91 -0.02 -1.26 -0.98 135.00 135.08 2vyr n PRO 14 Ca 0.02 0.31 0.00 0.00 -2.02 0.00 0.00 63.50 61.82 2vyr n PRO 14 Cb 0.54 -1.63 0.00 0.00 -0.02 0.00 0.00 33.50 32.39 2vyr n PRO 14 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2vyr n GLY 15 N 1.52 2.54 3.35 -1.23 0.00 0.20 -4.91 105.19 106.67 2vyr n GLY 15 Ca 0.11 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.86 2vyr n GLY 15 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2vyr n GLY 16 N -2.00 -2.17 3.21 -0.02 0.00 -0.15 -3.92 105.19 100.14 2vyr n GLY 16 Ca 0.00 -1.59 -0.12 0.00 0.00 0.00 0.00 46.02 44.31 2vyr n GLY 16 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2vyr s SER 17 N -4.78 1.06 -0.07 1.61 1.04 -1.26 -1.00 113.70 110.30 2vyr s SER 17 Ca 0.67 -1.14 -0.25 0.00 0.48 0.00 0.00 55.95 55.71 2vyr s SER 17 Cb -0.04 0.14 0.05 0.00 0.10 0.00 0.00 66.02 66.27 2vyr s SER 17 CO 0.49 -0.57 0.56 -0.22 0.98 0.00 0.00 173.24 174.48 2vyr s LEU 18 N -3.12 -0.16 -0.23 2.42 2.96 -0.11 -5.02 118.68 115.42 2vyr s LEU 18 Ca 0.21 0.62 0.02 0.00 -0.22 0.00 0.00 54.13 54.76 2vyr s LEU 18 Cb 0.06 2.09 0.05 0.00 0.50 0.00 0.00 46.19 48.89 2vyr s LEU 18 CO 0.01 -0.49 -0.14 -0.60 -1.32 0.00 0.00 176.35 173.81 2vyr s ARG 19 N -0.97 2.45 0.32 1.98 3.52 -1.26 -0.37 118.95 124.63 2vyr s ARG 19 Ca -0.10 -1.15 -0.15 0.00 -0.13 0.00 0.00 55.73 54.20 2vyr s ARG 19 Cb -0.02 -2.75 -0.09 0.00 -1.56 0.00 0.00 34.95 30.53 2vyr s ARG 19 CO 0.07 -0.45 0.74 -0.51 -0.81 0.00 0.00 175.30 174.34 2vyr s LEU 20 N 1.18 4.07 0.12 -0.88 1.43 -0.04 -4.59 118.68 119.97 2vyr s LEU 20 Ca -0.04 1.30 0.06 0.00 -1.03 0.00 0.00 54.13 54.42 2vyr s LEU 20 Cb -0.18 -4.07 -0.04 0.00 0.03 0.00 0.00 46.19 41.94 2vyr s LEU 20 CO -0.08 -0.20 -0.15 -0.44 0.23 0.00 0.00 176.35 175.72 2vyr s SER 21 N -2.24 2.01 -0.08 2.29 0.01 -0.01 -1.41 113.70 114.27 2vyr s SER 21 Ca 0.54 -0.78 -0.02 0.00 1.31 0.00 0.00 55.95 57.00 2vyr s SER 21 Cb -0.10 -0.07 0.03 0.00 0.21 0.00 0.00 66.02 66.08 2vyr s SER 21 CO 0.17 -0.12 0.01 0.00 0.41 0.00 0.00 173.24 173.72 2vyr s ALA 23 N 1.99 3.53 -0.00 0.00 0.00 0.59 -1.42 121.76 126.46 2vyr s ALA 23 Ca 0.04 -0.31 0.08 0.00 0.00 0.00 0.00 51.96 51.78 2vyr s ALA 23 Cb -0.13 -2.87 -0.02 0.00 0.00 0.00 0.00 23.12 20.10 2vyr s ALA 23 CO -0.05 -0.43 -0.25 0.00 0.00 0.00 0.00 175.76 175.03 2vyr s ALA 24 N 1.61 2.26 0.23 0.00 0.00 -0.77 -1.33 121.76 123.76 2vyr s ALA 24 Ca 0.27 -1.15 -0.22 0.00 0.00 0.00 0.00 51.96 50.85 2vyr s ALA 24 Cb -0.16 -0.58 0.05 0.00 0.00 0.00 0.00 23.12 22.43 2vyr s ALA 24 CO 0.10 0.54 0.86 -1.54 0.00 0.00 0.00 175.76 175.72 2vyr s SER 25 N -0.85 -0.17 0.00 0.00 1.04 -0.63 -4.84 113.70 108.25 2vyr s SER 25 Ca 0.11 -0.59 0.00 0.00 0.48 0.00 0.00 55.95 55.95 2vyr s SER 25 Cb -0.10 0.62 0.00 0.00 0.10 0.00 0.00 66.02 66.64 2vyr s SER 25 CO 0.00 -1.16 0.00 0.61 0.98 0.00 0.00 173.24 173.67 2vyr n GLY 26 N -0.49 0.80 3.59 7.32 0.00 -1.26 -0.84 105.19 114.30 2vyr n GLY 26 Ca -0.05 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.86 2vyr n GLY 26 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 2vyr s PHE 27 N -2.46 0.56 -0.97 1.61 -0.12 -1.26 -4.25 117.98 111.09 2vyr s PHE 27 Ca 0.00 -0.92 -0.23 0.00 -0.05 0.00 0.00 56.93 55.73 2vyr s PHE 27 Cb 0.00 0.20 0.06 0.00 -0.63 0.00 0.00 43.02 42.65 2vyr s PHE 27 CO 0.00 -1.13 1.37 0.99 -0.05 0.00 0.00 175.22 176.40 2vyr s THR 28 N -3.44 4.05 0.20 -4.49 2.01 -1.26 -4.88 115.64 107.83 2vyr s THR 28 Ca 0.24 -0.78 -0.12 0.00 0.31 0.00 0.00 61.69 61.34 2vyr s THR 28 Cb -0.01 -4.99 0.17 0.00 0.01 0.00 0.00 72.50 67.67 2vyr s THR 28 CO 0.13 -1.85 1.68 0.15 -0.69 0.00 0.00 174.62 174.04 2vyr h PHE 29 N 9.65 -0.01 0.00 4.92 3.57 -1.94 -1.42 116.94 131.71 2vyr h PHE 29 Ca 0.13 0.04 0.00 0.00 3.53 0.00 0.00 57.97 61.68 2vyr h PHE 29 Cb 1.02 0.09 0.00 0.00 2.79 0.00 0.00 35.95 39.85 2vyr h PHE 29 CO 1.24 -0.13 0.00 -0.85 -2.23 0.00 0.00 178.31 176.34 2vyr n GLU 30 N -5.24 0.09 0.00 1.11 0.28 -1.26 -1.69 120.64 113.93 2vyr n GLU 30 Ca 0.07 0.22 0.12 0.00 -0.16 0.00 0.00 57.16 57.41 2vyr n GLU 30 Cb 0.32 -1.50 0.16 0.00 1.43 0.00 0.00 31.44 31.85 2vyr n GLU 30 CO 0.00 0.00 0.00 0.39 -0.16 0.00 0.00 177.13 177.36 2vyr n GLU 31 N -1.40 0.78 -5.24 3.44 1.02 -0.53 -4.48 120.64 114.23 2vyr n GLU 31 Ca 0.05 -0.57 -0.32 0.00 -0.02 0.00 0.00 57.16 56.31 2vyr n GLU 31 Cb 0.13 -1.49 -0.16 0.00 -0.02 0.00 0.00 31.44 29.90 2vyr n GLU 31 CO 0.00 0.00 0.00 0.71 1.18 0.00 0.00 177.13 179.02 2vyr s TYR 32 N -2.61 2.48 0.82 -0.32 1.51 -0.68 -4.75 117.35 113.80 2vyr s TYR 32 Ca 0.19 -0.77 -0.13 0.00 -1.01 0.00 0.00 57.07 55.34 2vyr s TYR 32 Cb 0.18 -1.63 0.07 0.00 -0.11 0.00 0.00 41.96 40.48 2vyr s TYR 32 CO 0.60 -0.25 1.08 0.00 -1.11 0.00 0.00 175.55 175.87 2vyr n ALA 33 N 3.05 -0.42 -2.79 3.71 0.00 0.32 -3.99 120.51 120.40 2vyr n ALA 33 Ca -0.18 -0.36 -0.11 0.00 0.00 0.00 0.00 53.44 52.80 2vyr n ALA 33 Cb 0.52 -2.17 -0.11 0.00 0.00 0.00 0.00 19.45 17.69 2vyr n ALA 33 CO 0.00 0.00 0.00 -1.64 0.00 0.00 0.00 177.50 175.86 2vyr s MET 34 N -3.99 0.47 0.15 0.00 -1.94 -0.33 -4.33 119.30 109.32 2vyr s MET 34 Ca 0.71 -0.78 0.09 0.00 -1.71 0.00 0.00 55.69 54.00 2vyr s MET 34 Cb -0.29 -0.06 -0.04 0.00 2.01 0.00 0.00 34.83 36.45 2vyr s MET 34 CO 0.53 -0.01 -0.21 -0.51 -0.01 0.00 0.00 175.02 174.81 2vyr s LEU 35 N -1.77 2.39 -0.10 -0.03 1.43 -0.27 -1.22 118.68 119.11 2vyr s LEU 35 Ca -0.09 -0.80 0.01 0.00 -1.03 0.00 0.00 54.13 52.22 2vyr s LEU 35 Cb -0.07 -0.94 -0.02 0.00 0.03 0.00 0.00 46.19 45.19 2vyr s LEU 35 CO -0.02 0.04 -0.14 0.26 0.23 0.00 0.00 176.35 176.72 2vyr s TRP 36 N -1.64 2.76 0.24 0.29 0.52 0.27 -0.91 118.94 120.46 2vyr s TRP 36 Ca 0.14 -0.54 0.03 0.00 0.02 0.00 0.00 56.10 55.76 2vyr s TRP 36 Cb -0.08 -1.77 -0.05 0.00 -1.15 0.00 0.00 33.47 30.42 2vyr s TRP 36 CO 0.06 -0.12 0.01 0.14 0.02 0.00 0.00 176.95 177.07 2vyr s VAL 37 N 0.04 1.01 0.07 4.03 -7.23 -0.14 -0.95 120.40 117.23 2vyr s VAL 37 Ca -0.05 -2.03 -0.06 0.00 -1.81 0.00 0.00 61.98 58.03 2vyr s VAL 37 Cb -0.15 -2.41 -0.01 0.00 0.56 0.00 0.00 36.38 34.37 2vyr s VAL 37 CO 0.04 -0.27 0.12 0.00 -0.31 0.00 0.00 175.10 174.69 2vyr s ARG 38 N -3.88 0.73 -0.14 4.82 1.70 -0.02 0.34 118.95 122.50 2vyr s ARG 38 Ca 0.30 -0.96 -0.04 0.00 -0.47 0.00 0.00 55.73 54.56 2vyr s ARG 38 Cb 0.06 0.29 0.06 0.00 -0.57 0.00 0.00 34.95 34.79 2vyr s ARG 38 CO 0.10 -0.20 0.11 -1.14 -1.08 0.00 0.00 175.30 173.08 2vyr s GLN 39 N -3.55 0.04 0.82 3.89 0.74 -0.41 -0.69 119.66 120.51 2vyr s GLN 39 Ca 0.03 0.12 -0.12 0.00 0.05 0.00 0.00 55.36 55.44 2vyr s GLN 39 Cb 0.04 -1.31 0.08 0.00 1.10 0.00 0.00 33.01 32.93 2vyr s GLN 39 CO -0.09 -0.56 1.11 0.00 -0.55 0.00 0.00 175.29 175.20 2vyr s ALA 40 N 2.19 2.16 0.23 1.58 0.00 -1.26 -1.54 121.76 125.11 2vyr s ALA 40 Ca 0.03 -0.29 0.15 0.00 0.00 0.00 0.00 51.96 51.85 2vyr s ALA 40 Cb -0.15 -3.09 0.80 0.00 0.00 0.00 0.00 23.12 20.69 2vyr s ALA 40 CO -0.08 -1.85 0.90 -2.30 0.00 0.00 0.00 175.76 172.43 2vyr n PRO 41 N -3.50 -0.03 0.00 0.00 -0.02 -1.26 -3.81 135.00 126.38 2vyr n PRO 41 Ca 0.07 0.76 0.00 0.00 -2.02 0.00 0.00 63.50 62.31 2vyr n PRO 41 Cb 0.57 -1.41 0.00 0.00 -0.02 0.00 0.00 33.50 32.64 2vyr n PRO 41 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2vyr n GLY 42 N -1.21 0.19 4.23 -1.23 0.00 -1.26 -4.98 105.19 100.93 2vyr n GLY 42 Ca 0.22 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.24 2vyr n GLY 42 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 2vyr n LYS 43 N -1.25 0.00 0.00 1.61 4.81 -1.25 -4.83 118.16 117.26 2vyr n LYS 43 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.44 2vyr n LYS 43 Cb 0.00 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.05 2vyr n LYS 43 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 2vyr n GLY 44 N 0.00 -0.74 3.75 3.14 0.00 -1.26 -4.93 105.19 105.15 2vyr n GLY 44 Ca 0.00 -1.72 -0.41 0.00 0.00 0.00 0.00 46.02 43.89 2vyr n GLY 44 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2vyr s LEU 45 N -1.66 4.47 -0.07 0.99 1.98 -1.26 -4.34 118.68 118.79 2vyr s LEU 45 Ca 0.00 2.42 -0.00 0.00 -2.89 0.00 0.00 54.13 53.65 2vyr s LEU 45 Cb 0.00 -3.63 0.02 0.00 0.66 0.00 0.00 46.19 43.25 2vyr s LEU 45 CO 0.00 -0.38 -0.04 -0.70 -1.89 0.00 0.00 176.35 173.35 2vyr s GLU 46 N -1.07 0.91 0.20 1.98 2.12 0.14 -4.99 118.70 117.99 2vyr s GLU 46 Ca 0.50 -0.06 -0.30 0.00 0.36 0.00 0.00 54.97 55.47 2vyr s GLU 46 Cb -0.35 -1.06 -0.09 0.00 0.26 0.00 0.00 34.13 32.89 2vyr s GLU 46 CO 0.43 -0.20 1.28 -0.46 -0.54 0.00 0.00 175.26 175.77 2vyr s TRP 47 N 1.49 3.29 -0.12 5.30 -0.00 -1.26 -0.84 118.94 126.80 2vyr s TRP 47 Ca -0.02 1.27 -0.07 0.00 -0.00 0.00 0.00 56.10 57.28 2vyr s TRP 47 Cb -0.13 -3.56 -0.05 0.00 -0.00 0.00 0.00 33.47 29.72 2vyr s TRP 47 CO -0.04 -1.72 -0.18 0.28 -0.00 0.00 0.00 176.95 175.30 2vyr n VAL 48 N 2.57 0.88 -3.46 5.86 0.31 -0.12 -4.60 118.33 119.76 2vyr n VAL 48 Ca 0.06 -0.09 -0.13 0.00 -0.01 0.00 0.00 64.34 64.16 2vyr n VAL 48 Cb 0.43 -1.74 -0.03 0.00 -0.91 0.00 0.00 33.84 31.59 2vyr n VAL 48 CO 0.00 0.00 0.00 -0.55 -1.32 0.00 0.00 176.83 174.96 2vyr s SER 49 N -6.18 -0.57 0.02 4.52 0.15 -0.99 -0.98 113.70 109.68 2vyr s SER 49 Ca -0.18 0.23 -0.10 0.00 0.70 0.00 0.00 55.95 56.60 2vyr s SER 49 Cb 0.06 0.55 0.01 0.00 -1.71 0.00 0.00 66.02 64.93 2vyr s SER 49 CO 0.23 -0.81 0.21 -0.83 1.20 0.00 0.00 173.24 173.24 2vyr s GLY 50 N -2.21 -0.01 0.00 9.45 0.00 -0.30 -0.56 107.32 113.69 2vyr s GLY 50 Ca -0.02 -0.11 0.01 0.00 0.00 0.00 0.00 44.72 44.59 2vyr s GLY 50 CO -0.05 -0.29 -0.02 -1.50 0.00 0.00 0.00 173.10 171.23 2vyr s ILE 51 N -2.04 0.18 0.91 0.90 2.07 -0.36 -0.25 121.20 122.61 2vyr s ILE 51 Ca -0.09 -0.15 -0.12 0.00 -1.41 0.00 0.00 60.65 58.89 2vyr s ILE 51 Cb -0.03 -0.17 0.14 0.00 0.13 0.00 0.00 42.46 42.53 2vyr s ILE 51 CO -0.01 0.02 1.09 0.54 -1.91 0.00 0.00 174.94 174.67 2vyr s ASN 52 N -0.14 3.39 0.18 4.50 4.22 -0.63 -1.19 114.94 125.27 2vyr s ASN 52 Ca -0.00 1.39 -0.14 0.00 -2.14 0.00 0.00 52.86 51.97 2vyr s ASN 52 Cb -0.01 -2.07 0.17 0.00 1.28 0.00 0.00 41.25 40.62 2vyr s ASN 52 CO -0.00 -2.68 1.69 0.00 -2.04 0.00 0.00 177.10 174.07 2vyr h ALA 53 N -1.58 0.45 -0.01 3.54 0.00 -1.81 -0.91 119.26 118.94 2vyr h ALA 53 Ca -0.50 0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.55 2vyr h ALA 53 Cb 1.29 0.25 0.00 0.00 0.00 0.00 0.00 17.79 19.33 2vyr h ALA 53 CO 0.56 -0.39 -0.07 0.54 0.00 0.00 0.00 179.25 179.89 2vyr n ARG 54 N -5.23 0.93 -1.81 0.00 1.74 -1.26 -4.76 116.66 106.28 2vyr n ARG 54 Ca 0.05 -0.33 -0.00 0.00 -0.77 0.00 0.00 57.85 56.80 2vyr n ARG 54 Cb 0.26 -1.49 -0.00 0.00 -1.02 0.00 0.00 32.46 30.20 2vyr n ARG 54 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2vyr n GLY 55 N 1.21 0.36 0.04 -0.13 0.00 -0.35 -4.94 105.19 101.39 2vyr n GLY 55 Ca 0.17 -0.91 0.01 0.00 0.00 0.00 0.00 46.02 45.29 2vyr n GLY 55 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 173.32 174.90 2vyr n TYR 56 N -3.80 0.00 -4.59 1.61 0.18 -1.26 -4.85 117.16 104.45 2vyr n TYR 56 Ca -0.00 0.00 -0.32 0.00 1.88 0.00 0.00 57.90 59.46 2vyr n TYR 56 Cb 0.41 0.00 -0.17 0.00 -0.38 0.00 0.00 39.34 39.20 2vyr n TYR 56 CO 0.00 0.00 0.00 0.99 -2.08 0.00 0.00 176.86 175.77 2vyr s THR 57 N -0.94 1.94 0.14 -3.48 2.01 -1.26 -5.04 115.64 109.01 2vyr s THR 57 Ca 0.02 -0.91 0.11 0.00 0.31 0.00 0.00 61.69 61.22 2vyr s THR 57 Cb 0.02 -1.73 -0.04 0.00 0.01 0.00 0.00 72.50 70.76 2vyr s THR 57 CO 0.09 0.53 -0.25 0.42 -0.69 0.00 0.00 174.62 174.72 2vyr s THR 58 N 0.88 2.34 0.03 -0.82 -4.23 -1.26 -1.61 115.64 110.97 2vyr s THR 58 Ca -0.06 -1.78 0.04 0.00 -1.18 0.00 0.00 61.69 58.70 2vyr s THR 58 Cb -0.15 -2.06 -0.02 0.00 1.34 0.00 0.00 72.50 71.61 2vyr s THR 58 CO -0.03 0.05 -0.12 -0.31 -0.54 0.00 0.00 174.62 173.68 2vyr s TYR 59 N -1.18 1.01 0.02 3.99 1.51 0.65 -4.98 117.35 118.36 2vyr s TYR 59 Ca 0.16 -0.33 -0.00 0.00 -1.01 0.00 0.00 57.07 55.89 2vyr s TYR 59 Cb -0.10 -0.61 -0.02 0.00 -0.11 0.00 0.00 41.96 41.13 2vyr s TYR 59 CO 0.07 0.00 -0.02 0.71 -1.11 0.00 0.00 175.55 175.21 2vyr s TYR 60 N -0.79 0.20 0.48 2.71 1.51 -1.26 -1.15 117.35 119.05 2vyr s TYR 60 Ca -0.00 -0.42 -0.22 0.00 -1.01 0.00 0.00 57.07 55.42 2vyr s TYR 60 Cb -0.07 -0.15 -0.07 0.00 -0.11 0.00 0.00 41.96 41.56 2vyr s TYR 60 CO 0.01 -0.16 1.13 0.00 -1.11 0.00 0.00 175.55 175.42 2vyr s ALA 61 N -1.18 2.89 0.31 3.71 0.00 -0.15 -4.89 121.76 122.45 2vyr s ALA 61 Ca -0.13 0.85 0.05 0.00 0.00 0.00 0.00 51.96 52.72 2vyr s ALA 61 Cb -0.08 -3.35 0.67 0.00 0.00 0.00 0.00 23.12 20.36 2vyr s ALA 61 CO -0.01 -0.62 1.83 -0.44 0.00 0.00 0.00 175.76 176.53 2vyr h ASP 62 N 1.79 0.82 0.35 0.00 3.45 -1.94 -1.70 116.42 119.20 2vyr h ASP 62 Ca -0.49 0.06 0.00 0.00 0.43 0.00 0.00 57.03 57.02 2vyr h ASP 62 Cb 1.25 -0.10 0.00 0.00 -0.56 0.00 0.00 39.33 39.91 2vyr h ASP 62 CO 0.59 0.40 0.00 -1.54 -1.57 0.00 0.00 179.24 177.12 2vyr n SER 63 N -4.63 0.00 0.00 6.45 3.41 -1.26 -2.63 113.62 114.96 2vyr n SER 63 Ca 0.20 0.36 0.00 0.00 -0.26 0.00 0.00 58.87 59.17 2vyr n SER 63 Cb 0.44 -0.42 0.00 0.00 -0.26 0.00 0.00 64.21 63.97 2vyr n SER 63 CO 0.00 0.00 0.00 1.33 -0.16 0.00 0.00 175.04 176.21 2vyr n VAL 64 N -1.42 0.00 -1.70 -3.33 0.24 -0.69 -5.03 118.33 106.40 2vyr n VAL 64 Ca 0.04 -0.38 -0.44 0.00 -2.04 0.00 0.00 64.34 61.53 2vyr n VAL 64 Cb 0.13 1.18 -0.03 0.00 -1.47 0.00 0.00 33.84 33.64 2vyr n VAL 64 CO 0.00 0.00 0.00 0.29 -2.14 0.00 0.00 176.83 174.98 2vyr n LYS 65 N -0.21 2.55 0.00 7.34 5.02 -0.88 -1.62 118.16 130.37 2vyr n LYS 65 Ca 0.00 0.92 0.00 0.00 -2.02 0.00 0.00 58.31 57.21 2vyr n LYS 65 Cb 0.04 -2.75 0.00 0.00 -0.02 0.00 0.00 35.03 32.30 2vyr n LYS 65 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2vyr n GLY 66 N 3.85 1.47 0.01 0.72 0.00 -1.26 -4.82 105.19 105.16 2vyr n GLY 66 Ca 0.17 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 46.17 2vyr n GLY 66 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2vyr n ARG 67 N -2.00 1.83 -4.17 1.61 1.74 -0.64 -5.04 116.66 110.00 2vyr n ARG 67 Ca 0.00 0.01 -0.32 0.00 -0.77 0.00 0.00 57.85 56.77 2vyr n ARG 67 Cb 0.00 -1.06 -0.08 0.00 -1.02 0.00 0.00 32.46 30.31 2vyr n ARG 67 CO 0.00 0.00 0.00 -0.06 -1.52 0.00 0.00 177.63 176.05 2vyr s PHE 68 N -2.06 3.16 -0.08 -1.55 0.40 -0.76 -1.23 117.98 115.86 2vyr s PHE 68 Ca -0.02 0.11 -0.00 0.00 -0.60 0.00 0.00 56.93 56.42 2vyr s PHE 68 Cb 0.01 -1.67 0.02 0.00 0.51 0.00 0.00 43.02 41.89 2vyr s PHE 68 CO 0.08 0.50 -0.05 0.99 0.70 0.00 0.00 175.22 177.44 2vyr s THR 69 N -1.19 0.73 -0.05 0.64 2.01 0.47 -4.88 115.64 113.36 2vyr s THR 69 Ca 0.23 -0.14 -0.05 0.00 0.31 0.00 0.00 61.69 62.04 2vyr s THR 69 Cb -0.12 -0.78 -0.04 0.00 0.01 0.00 0.00 72.50 71.57 2vyr s THR 69 CO 0.14 0.30 0.18 -0.51 -0.69 0.00 0.00 174.62 174.05 2vyr s ILE 70 N 1.55 5.43 0.31 1.82 2.07 -1.26 -0.38 121.20 130.74 2vyr s ILE 70 Ca 0.00 0.05 -0.17 0.00 -1.41 0.00 0.00 60.65 59.12 2vyr s ILE 70 Cb -0.13 -3.50 0.03 0.00 0.13 0.00 0.00 42.46 38.99 2vyr s ILE 70 CO -0.05 0.44 0.69 -0.94 -1.91 0.00 0.00 174.94 173.18 2vyr s SER 71 N -1.55 -0.09 0.10 4.50 1.04 -1.07 -5.01 113.70 111.62 2vyr s SER 71 Ca 0.23 -0.86 -0.12 0.00 0.48 0.00 0.00 55.95 55.67 2vyr s SER 71 Cb -0.13 0.74 0.02 0.00 0.10 0.00 0.00 66.02 66.75 2vyr s SER 71 CO 0.13 -1.41 0.29 0.00 0.98 0.00 0.00 173.24 173.23 2vyr s ARG 72 N -3.43 0.95 -0.33 4.02 1.70 -1.26 -0.58 118.95 120.02 2vyr s ARG 72 Ca 0.15 -0.83 0.02 0.00 -0.47 0.00 0.00 55.73 54.59 2vyr s ARG 72 Cb -0.05 0.40 0.10 0.00 -0.57 0.00 0.00 34.95 34.84 2vyr s ARG 72 CO 0.09 -0.34 0.08 0.34 -1.08 0.00 0.00 175.30 174.39 2vyr s ASP 73 N -2.82 4.38 0.50 -2.89 3.68 -0.24 -4.99 116.67 114.29 2vyr s ASP 73 Ca 0.04 -1.91 0.32 0.00 2.13 0.00 0.00 52.55 53.13 2vyr s ASP 73 Cb 0.03 -1.24 1.40 0.00 -1.45 0.00 0.00 42.92 41.66 2vyr s ASP 73 CO -0.11 -0.40 1.96 0.78 0.13 0.00 0.00 175.17 177.53 2vyr h ASN 74 N 7.83 0.00 1.23 -0.34 2.35 -1.95 -0.86 115.58 123.86 2vyr h ASN 74 Ca -0.09 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.66 2vyr h ASN 74 Cb 1.01 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.38 2vyr h ASN 74 CO 0.50 0.00 0.00 0.77 -1.65 0.00 0.00 177.43 177.05 2vyr h SER 75 N 0.00 0.00 -0.01 5.81 4.64 -1.96 -3.29 113.55 118.74 2vyr h SER 75 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2vyr h SER 75 Cb 0.41 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.50 2vyr h SER 75 CO 0.00 0.00 0.00 0.29 -0.87 0.00 0.00 176.83 176.25 2vyr n LYS 76 N -2.30 -0.06 -3.84 4.77 5.02 -0.41 -5.02 118.16 116.32 2vyr n LYS 76 Ca 0.04 -0.79 -0.26 0.00 -2.02 0.00 0.00 58.31 55.28 2vyr n LYS 76 Cb 0.36 -1.04 0.02 0.00 -0.02 0.00 0.00 35.03 34.36 2vyr n LYS 76 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 2vyr n ASN 77 N 0.02 -2.96 -4.07 4.39 4.13 -0.70 -4.90 115.26 111.16 2vyr n ASN 77 Ca 0.01 -0.82 -0.22 0.00 1.68 0.00 0.00 54.58 55.23 2vyr n ASN 77 Cb 0.09 -3.85 -0.15 0.00 -1.54 0.00 0.00 39.78 34.32 2vyr n ASN 77 CO 0.00 0.00 0.00 -0.89 0.28 0.00 0.00 177.26 176.65 2vyr s THR 78 N -3.50 1.04 -0.06 3.41 2.01 -1.13 -1.85 115.64 115.57 2vyr s THR 78 Ca 0.35 -0.53 0.01 0.00 0.31 0.00 0.00 61.69 61.83 2vyr s THR 78 Cb -0.18 -0.89 -0.03 0.00 0.01 0.00 0.00 72.50 71.41 2vyr s THR 78 CO 0.83 0.30 -0.05 -0.22 -0.69 0.00 0.00 174.62 174.80 2vyr s LEU 79 N -0.08 3.29 0.14 4.42 2.96 -0.50 -1.08 118.68 127.83 2vyr s LEU 79 Ca 0.01 0.00 0.10 0.00 -0.22 0.00 0.00 54.13 54.01 2vyr s LEU 79 Cb -0.07 -1.76 -0.04 0.00 0.50 0.00 0.00 46.19 44.81 2vyr s LEU 79 CO 0.00 0.35 -0.22 -0.31 -1.32 0.00 0.00 176.35 174.85 2vyr s TYR 80 N -0.88 2.01 -0.21 5.38 1.51 0.25 0.08 117.35 125.50 2vyr s TYR 80 Ca 0.14 -0.41 -0.02 0.00 -1.01 0.00 0.00 57.07 55.77 2vyr s TYR 80 Cb -0.11 -1.05 0.06 0.00 -0.11 0.00 0.00 41.96 40.75 2vyr s TYR 80 CO 0.03 0.33 0.02 -1.17 -1.11 0.00 0.00 175.55 173.65 2vyr s LEU 81 N -2.31 1.50 -0.24 -1.29 2.96 -0.50 -2.61 118.68 116.19 2vyr s LEU 81 Ca 0.14 -0.92 -0.20 0.00 -0.22 0.00 0.00 54.13 52.93 2vyr s LEU 81 Cb -0.08 -0.73 -0.02 0.00 0.50 0.00 0.00 46.19 45.86 2vyr s LEU 81 CO 0.06 -0.30 0.59 -1.58 -1.32 0.00 0.00 176.35 173.81 2vyr s GLN 82 N 1.75 4.12 -0.29 1.98 2.00 0.48 -0.86 119.66 128.85 2vyr s GLN 82 Ca -0.02 0.49 -0.02 0.00 -2.00 0.00 0.00 55.36 53.81 2vyr s GLN 82 Cb -0.17 -3.63 0.04 0.00 0.80 0.00 0.00 33.01 30.05 2vyr s GLN 82 CO -0.08 -0.34 -0.01 -1.64 -0.50 0.00 0.00 175.29 172.71 2vyr s MET 83 N 2.28 2.54 0.37 1.67 -1.94 0.50 -0.40 119.30 124.33 2vyr s MET 83 Ca 0.25 -1.19 0.08 0.00 -1.71 0.00 0.00 55.69 53.12 2vyr s MET 83 Cb -0.16 -3.15 -0.04 0.00 2.01 0.00 0.00 34.83 33.49 2vyr s MET 83 CO 0.09 -0.57 0.18 -0.80 -0.01 0.00 0.00 175.02 173.91 2vyr s ASN 84 N 1.28 4.62 -0.94 3.03 0.01 -0.37 -0.94 114.94 121.64 2vyr s ASN 84 Ca -0.04 -0.87 -0.15 0.00 -0.71 0.00 0.00 52.86 51.09 2vyr s ASN 84 Cb -0.19 -0.62 0.02 0.00 0.41 0.00 0.00 41.25 40.87 2vyr s ASN 84 CO -0.02 -0.41 0.28 -1.54 -1.51 0.00 0.00 177.10 173.90 2vyr n SER 85 N -1.22 -1.39 -4.71 -1.22 3.41 -1.13 -4.69 113.62 102.68 2vyr n SER 85 Ca -0.02 -0.91 -0.40 0.00 -0.26 0.00 0.00 58.87 57.28 2vyr n SER 85 Cb 0.62 -1.10 0.02 0.00 -0.26 0.00 0.00 64.21 63.49 2vyr n SER 85 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 2vyr n LEU 86 N -3.70 4.42 -4.42 1.04 4.77 -0.17 -4.50 117.00 114.43 2vyr n LEU 86 Ca -0.14 1.08 -0.23 0.00 -0.03 0.00 0.00 56.01 56.69 2vyr n LEU 86 Cb 0.43 -1.52 -0.10 0.00 -2.33 0.00 0.00 43.42 39.89 2vyr n LEU 86 CO 0.55 -0.60 -0.48 -0.13 -1.33 0.00 0.00 177.39 175.40 2vyr s ARG 87 N -2.37 1.52 0.32 3.23 0.52 -1.26 0.63 118.95 121.54 2vyr s ARG 87 Ca 0.63 -1.64 0.04 0.00 -0.52 0.00 0.00 55.73 54.25 2vyr s ARG 87 Cb -0.48 -1.58 0.65 0.00 0.52 0.00 0.00 34.95 34.06 2vyr s ARG 87 CO 0.56 0.30 1.88 1.15 0.02 0.00 0.00 175.30 179.21 2vyr h THR 88 N 2.64 0.94 0.00 0.02 2.02 -1.96 0.11 112.91 116.68 2vyr h THR 88 Ca -0.41 -0.30 0.00 0.00 0.77 0.00 0.00 66.41 66.47 2vyr h THR 88 Cb 1.23 -0.02 0.00 0.00 -1.74 0.00 0.00 68.15 67.62 2vyr h THR 88 CO 0.57 0.16 0.00 -0.62 0.37 0.00 0.00 175.52 176.00 2vyr n GLU 89 N -4.55 0.08 0.03 6.66 4.71 -1.26 -1.91 120.64 124.40 2vyr n GLU 89 Ca 0.16 0.45 0.14 0.00 -0.01 0.00 0.00 57.16 57.90 2vyr n GLU 89 Cb 0.35 -1.71 0.53 0.00 -1.01 0.00 0.00 31.44 29.60 2vyr n GLU 89 CO 0.00 0.00 0.00 -0.25 0.09 0.00 0.00 177.13 176.97 2vyr n ASP 90 N -1.87 0.27 -4.68 1.62 10.43 0.39 -4.86 116.55 117.85 2vyr n ASP 90 Ca 0.01 0.48 -0.46 0.00 2.57 0.00 0.00 54.79 57.39 2vyr n ASP 90 Cb 0.11 -0.54 -0.04 0.00 1.84 0.00 0.00 41.12 42.49 2vyr n ASP 90 CO 0.00 0.00 0.00 0.41 -1.07 0.00 0.00 177.20 176.54 2vyr n THR 91 N -1.74 0.30 0.00 -3.53 -1.04 -0.80 -4.91 114.28 102.57 2vyr n THR 91 Ca 0.06 -0.05 0.00 0.00 -2.04 0.00 0.00 64.05 62.02 2vyr n THR 91 Cb 0.37 -1.77 0.00 0.00 -1.82 0.00 0.00 70.33 67.11 2vyr n THR 91 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2vyr n ALA 92 N 5.11 0.00 -2.70 2.41 0.00 -0.23 -4.45 120.51 120.66 2vyr n ALA 92 Ca 0.19 0.00 -0.40 0.00 0.00 0.00 0.00 53.44 53.23 2vyr n ALA 92 Cb 0.30 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 19.71 2vyr n ALA 92 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 2vyr s VAL 93 N -2.00 4.98 -0.16 0.00 1.01 -0.59 -0.51 120.40 123.14 2vyr s VAL 93 Ca 0.00 1.53 -0.08 0.00 0.00 0.00 0.00 61.98 63.42 2vyr s VAL 93 Cb 0.00 -4.08 -0.04 0.00 0.00 0.00 0.00 36.38 32.25 2vyr s VAL 93 CO 0.00 0.16 0.13 -0.31 0.00 0.00 0.00 175.10 175.09 2vyr s TYR 94 N 1.34 3.51 -0.07 5.22 1.51 -0.08 -1.29 117.35 127.50 2vyr s TYR 94 Ca 0.38 0.43 0.05 0.00 -1.01 0.00 0.00 57.07 56.93 2vyr s TYR 94 Cb -0.17 -2.05 -0.01 0.00 -0.11 0.00 0.00 41.96 39.62 2vyr s TYR 94 CO 0.16 0.52 -0.24 0.71 -1.11 0.00 0.00 175.55 175.60 2vyr s TYR 95 N -0.36 2.37 0.11 2.71 1.51 0.15 -1.21 117.35 122.63 2vyr s TYR 95 Ca 0.12 -0.77 -0.26 0.00 -1.01 0.00 0.00 57.07 55.15 2vyr s TYR 95 Cb -0.12 -1.57 -0.07 0.00 -0.11 0.00 0.00 41.96 40.10 2vyr s TYR 95 CO 0.01 -0.26 0.79 0.00 -1.11 0.00 0.00 175.55 174.98 2vyr s ALA 97 N -0.55 -0.09 -0.23 0.00 0.00 -0.09 -1.73 121.76 119.07 2vyr s ALA 97 Ca 0.38 0.17 -0.09 0.00 0.00 0.00 0.00 51.96 52.42 2vyr s ALA 97 Cb -0.22 -0.11 -0.05 0.00 0.00 0.00 0.00 23.12 22.74 2vyr s ALA 97 CO 0.25 -0.04 0.13 0.21 0.00 0.00 0.00 175.76 176.31 2vyr s LYS 98 N 0.22 4.00 0.55 0.00 2.20 0.16 -1.11 119.74 125.75 2vyr s LYS 98 Ca -0.02 -0.31 -0.18 0.00 -0.36 0.00 0.00 55.97 55.10 2vyr s LYS 98 Cb -0.03 -3.44 -0.06 0.00 -1.51 0.00 0.00 37.83 32.80 2vyr s LYS 98 CO -0.01 0.08 1.07 -2.14 -0.36 0.00 0.00 175.35 173.99 2vyr s PRO 99 N 0.97 3.47 0.23 4.03 0.02 -1.26 0.38 135.00 142.83 2vyr s PRO 99 Ca 0.06 1.35 -0.07 0.00 0.02 0.00 0.00 61.00 62.36 2vyr s PRO 99 Cb -0.13 -2.05 0.22 0.00 0.02 0.00 0.00 34.50 32.56 2vyr s PRO 99 CO 0.03 -0.71 1.89 2.35 -0.33 0.00 0.00 177.00 180.23 2vyr h TRP 100 N 0.98 1.19 -3.66 6.54 2.91 -1.10 -3.41 115.95 119.40 2vyr h TRP 100 Ca -0.48 0.00 -0.68 0.00 1.13 0.00 0.00 58.89 58.86 2vyr h TRP 100 Cb 1.23 -0.39 -0.21 0.00 -0.51 0.00 0.00 29.16 29.28 2vyr h TRP 100 CO 0.56 0.79 -0.71 0.71 -1.03 0.00 0.00 178.44 178.76 2vyr s TYR 101 N -5.99 2.90 0.52 2.65 2.02 -1.26 -5.00 117.35 113.18 2vyr s TYR 101 Ca -0.13 -0.09 0.35 0.00 -0.37 0.00 0.00 57.07 56.83 2vyr s TYR 101 Cb 0.17 -1.73 1.90 0.00 -0.40 0.00 0.00 41.96 41.89 2vyr s TYR 101 CO 0.82 0.23 2.22 -1.35 -1.57 0.00 0.00 175.55 175.89 2vyr h PRO 102 N 5.53 0.00 -0.01 -1.71 0.11 -1.85 -2.64 132.00 131.43 2vyr h PRO 102 Ca -0.45 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.66 2vyr h PRO 102 Cb 1.17 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.28 2vyr h PRO 102 CO 0.53 0.03 -0.56 1.97 -0.21 0.00 0.00 178.00 179.77 2vyr n PHE 103 N -3.43 0.00 -2.70 0.65 1.16 -1.26 -0.52 117.46 111.36 2vyr n PHE 103 Ca -0.02 0.00 -0.42 0.00 -1.87 0.00 0.00 57.45 55.13 2vyr n PHE 103 Cb 0.15 -0.09 -0.03 0.00 -1.61 0.00 0.00 39.48 37.89 2vyr n PHE 103 CO 0.00 0.00 0.00 -1.64 -1.87 0.00 0.00 176.76 173.25 2vyr s MET 104 N -2.74 3.38 0.00 3.97 1.00 -1.00 -4.82 119.30 119.09 2vyr s MET 104 Ca 0.16 -0.08 0.01 0.00 0.00 0.00 0.00 55.69 55.78 2vyr s MET 104 Cb 0.18 -4.06 -0.00 0.00 0.00 0.00 0.00 34.83 30.94 2vyr s MET 104 CO 0.67 -1.67 0.25 0.00 0.00 0.00 0.00 175.02 174.27 2vyr n ALA 105 N 8.12 2.30 -2.71 3.03 0.00 -1.26 -4.64 120.51 125.35 2vyr n ALA 105 Ca 0.04 -0.22 -0.23 0.00 0.00 0.00 0.00 53.44 53.03 2vyr n ALA 105 Cb 0.48 -0.05 0.11 0.00 0.00 0.00 0.00 19.45 19.99 2vyr n ALA 105 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 2vyr n SER 106 N -0.60 1.50 -4.78 0.00 3.41 -1.26 -3.70 113.62 108.20 2vyr n SER 106 Ca 0.01 -2.21 -0.41 0.00 -0.26 0.00 0.00 58.87 56.00 2vyr n SER 106 Cb 0.03 -0.59 -0.00 0.00 -0.26 0.00 0.00 64.21 63.39 2vyr n SER 106 CO 0.00 0.00 0.00 -0.75 -0.16 0.00 0.00 175.04 174.13 2vyr s LYS 107 N -4.95 4.08 0.00 4.33 2.20 -1.26 -2.78 119.74 121.36 2vyr s LYS 107 Ca 0.64 2.51 0.00 0.00 -0.36 0.00 0.00 55.97 58.76 2vyr s LYS 107 Cb -0.04 -2.94 0.00 0.00 -1.51 0.00 0.00 37.83 33.34 2vyr s LYS 107 CO 0.42 -0.53 0.00 0.41 -0.36 0.00 0.00 175.35 175.29 2vyr n GLY 108 N 0.51 0.43 3.74 5.54 0.00 -1.26 -5.01 105.19 109.14 2vyr n GLY 108 Ca 0.01 -0.61 -0.42 0.00 0.00 0.00 0.00 46.02 45.01 2vyr n GLY 108 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2vyr s SER 109 N -2.55 6.56 0.10 1.61 0.01 -1.12 -4.93 113.70 113.38 2vyr s SER 109 Ca 0.00 2.73 -0.31 0.00 1.31 0.00 0.00 55.95 59.68 2vyr s SER 109 Cb 0.00 -2.62 -0.10 0.00 0.21 0.00 0.00 66.02 63.52 2vyr s SER 109 CO 0.00 -0.79 1.79 -0.70 0.41 0.00 0.00 173.24 173.95 2vyr s GLU 110 N -0.01 4.15 0.24 12.44 2.12 -1.26 -4.95 118.70 131.43 2vyr s GLU 110 Ca 0.63 2.52 -0.30 0.00 0.36 0.00 0.00 54.97 58.19 2vyr s GLU 110 Cb -0.44 -3.64 -0.09 0.00 0.26 0.00 0.00 34.13 30.22 2vyr s GLU 110 CO 0.41 -0.82 1.08 -0.06 -0.54 0.00 0.00 175.26 175.33 2vyr s PHE 111 N 2.85 3.63 -0.19 5.30 2.99 -1.26 -0.62 117.98 130.68 2vyr s PHE 111 Ca 0.80 1.69 -0.17 0.00 0.00 0.00 0.00 56.93 59.25 2vyr s PHE 111 Cb -0.44 -3.24 -0.07 0.00 0.00 0.00 0.00 43.02 39.27 2vyr s PHE 111 CO 0.36 -0.45 -0.34 -3.47 -0.00 0.00 0.00 175.22 171.31 2vyr n ASP 112 N 1.64 1.92 -4.09 1.36 4.64 0.16 -4.52 116.55 117.66 2vyr n ASP 112 Ca 0.00 0.33 -0.07 0.00 -1.38 0.00 0.00 54.79 53.67 2vyr n ASP 112 Cb 0.45 -0.74 -0.10 0.00 -1.04 0.00 0.00 41.12 39.69 2vyr n ASP 112 CO 0.00 0.00 0.00 -0.31 -0.82 0.00 0.00 177.20 176.07 2vyr s TYR 113 N -2.82 0.51 0.15 -0.67 1.51 -1.05 -5.01 117.35 109.97 2vyr s TYR 113 Ca -0.30 -1.05 -0.10 0.00 -1.01 0.00 0.00 57.07 54.61 2vyr s TYR 113 Cb 0.06 -0.38 -0.00 0.00 -0.11 0.00 0.00 41.96 41.52 2vyr s TYR 113 CO 0.43 -0.37 0.29 1.67 -1.11 0.00 0.00 175.55 176.45 2vyr s TRP 114 N -3.83 0.28 0.61 2.71 -2.14 -1.26 -0.67 118.94 114.64 2vyr s TRP 114 Ca 0.06 -0.66 -0.07 0.00 2.66 0.00 0.00 56.10 58.09 2vyr s TRP 114 Cb 0.07 -0.01 0.13 0.00 -3.10 0.00 0.00 33.47 30.56 2vyr s TRP 114 CO -0.10 -0.70 0.83 0.41 -2.66 0.00 0.00 176.95 174.73 2vyr n GLY 115 N -0.19 -0.60 0.09 3.67 0.00 -0.70 -4.78 105.19 102.67 2vyr n GLY 115 Ca -0.09 -1.81 0.13 0.00 0.00 0.00 0.00 46.02 44.24 2vyr n GLY 115 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2vyr n GLN 116 N -2.68 0.22 0.00 1.61 10.64 -1.26 -4.86 117.38 121.05 2vyr n GLN 116 Ca 0.11 0.20 0.00 0.00 -1.83 0.00 0.00 57.00 55.49 2vyr n GLN 116 Cb 0.40 -1.77 0.00 0.00 -0.86 0.00 0.00 30.24 28.01 2vyr n GLN 116 CO 0.00 0.00 0.00 0.41 -1.83 0.00 0.00 177.06 175.64 2vyr n GLY 117 N 1.22 0.47 2.96 2.61 0.00 -1.26 -5.04 105.19 106.15 2vyr n GLY 117 Ca 0.05 -1.69 -0.21 0.00 0.00 0.00 0.00 46.02 44.18 2vyr n GLY 117 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 2vyr s THR 118 N -2.91 0.74 -0.07 2.61 -1.32 -0.35 -4.82 115.64 109.52 2vyr s THR 118 Ca 0.00 -0.28 -0.30 0.00 -1.21 0.00 0.00 61.69 59.90 2vyr s THR 118 Cb 0.00 -0.70 -0.02 0.00 -1.51 0.00 0.00 72.50 70.27 2vyr s THR 118 CO 0.00 0.26 1.11 -0.22 -2.21 0.00 0.00 174.62 173.55 2vyr s LEU 119 N 0.57 4.27 -0.20 9.08 0.20 -1.26 -0.90 118.68 130.44 2vyr s LEU 119 Ca -0.09 1.69 -0.02 0.00 0.69 0.00 0.00 54.13 56.40 2vyr s LEU 119 Cb -0.12 -3.56 -0.00 0.00 -0.43 0.00 0.00 46.19 42.08 2vyr s LEU 119 CO 0.01 -0.51 -0.10 -0.69 -0.29 0.00 0.00 176.35 174.77 2vyr s VAL 120 N 2.06 2.96 -0.17 1.68 1.01 0.34 -1.39 120.40 126.89 2vyr s VAL 120 Ca 0.52 -0.64 0.01 0.00 0.00 0.00 0.00 61.98 61.87 2vyr s VAL 120 Cb -0.22 -2.31 0.01 0.00 0.00 0.00 0.00 36.38 33.86 2vyr s VAL 120 CO 0.20 0.47 -0.19 -0.89 0.00 0.00 0.00 175.10 174.69 2vyr s THR 121 N 1.29 2.23 -0.21 3.92 2.01 -0.42 -1.06 115.64 123.40 2vyr s THR 121 Ca 0.04 -0.90 -0.01 0.00 0.31 0.00 0.00 61.69 61.12 2vyr s THR 121 Cb -0.14 -1.93 0.01 0.00 0.01 0.00 0.00 72.50 70.45 2vyr s THR 121 CO -0.05 0.53 -0.11 -0.69 -0.69 0.00 0.00 174.62 173.61 2vyr s VAL 122 N 1.08 2.74 -0.17 3.82 1.01 -1.26 -0.62 120.40 127.00 2vyr s VAL 122 Ca -0.00 -0.75 -0.35 0.00 0.00 0.00 0.00 61.98 60.88 2vyr s VAL 122 Cb -0.14 -2.23 0.15 0.00 0.00 0.00 0.00 36.38 34.16 2vyr s VAL 122 CO -0.07 0.45 1.43 -0.94 0.00 0.00 0.00 175.10 175.97 2vyr s SER 123 N 1.38 -0.00 0.00 3.32 1.04 -0.31 -4.56 113.70 114.56 2vyr s SER 123 Ca 0.05 -0.00 0.07 0.00 0.48 0.00 0.00 55.95 56.54 2vyr s SER 123 Cb -0.14 0.00 0.41 0.00 0.10 0.00 0.00 66.02 66.40 2vyr s SER 123 CO -0.08 -0.01 0.87 -1.20 0.98 0.00 0.00 173.24 173.81