#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2vyr s VAL 2 N 0.00 3.08 -0.03 3.84 1.01 -1.26 -4.02 120.40 123.01 2vyr s VAL 2 Ca 0.00 0.77 -0.17 0.00 0.00 0.00 0.00 61.98 62.59 2vyr s VAL 2 Cb 0.00 -3.50 0.03 0.00 0.00 0.00 0.00 36.38 32.91 2vyr s VAL 2 CO 0.00 0.06 0.36 0.00 0.00 0.00 0.00 175.10 175.52 2vyr s GLN 3 N 1.09 0.69 -0.10 2.72 -2.07 -0.55 -4.97 119.66 116.47 2vyr s GLN 3 Ca 0.66 -0.08 0.00 0.00 -1.82 0.00 0.00 55.36 54.12 2vyr s GLN 3 Cb -0.39 0.31 0.02 0.00 -1.09 0.00 0.00 33.01 31.86 2vyr s GLN 3 CO 0.31 -0.19 -0.09 -0.51 -1.32 0.00 0.00 175.29 173.49 2vyr s LEU 4 N -1.18 1.31 -0.32 2.60 1.43 -1.26 -1.62 118.68 119.64 2vyr s LEU 4 Ca -0.12 -0.30 -0.01 0.00 -1.03 0.00 0.00 54.13 52.66 2vyr s LEU 4 Cb -0.04 -0.84 0.06 0.00 0.03 0.00 0.00 46.19 45.40 2vyr s LEU 4 CO 0.05 -0.08 0.02 -0.76 0.23 0.00 0.00 176.35 175.81 2vyr s LEU 5 N 1.45 4.12 0.23 1.79 1.43 -0.15 -4.19 118.68 123.36 2vyr s LEU 5 Ca 0.00 -1.45 -0.18 0.00 -1.03 0.00 0.00 54.13 51.46 2vyr s LEU 5 Cb -0.13 -1.71 -0.08 0.00 0.03 0.00 0.00 46.19 44.29 2vyr s LEU 5 CO -0.05 -0.30 0.71 -1.61 0.23 0.00 0.00 176.35 175.33 2vyr s GLU 6 N 1.20 4.19 0.30 1.70 8.01 -1.26 -0.66 118.70 132.18 2vyr s GLU 6 Ca -0.02 0.81 -0.13 0.00 0.01 0.00 0.00 54.97 55.63 2vyr s GLU 6 Cb -0.20 -2.80 0.02 0.00 -4.31 0.00 0.00 34.13 26.83 2vyr s GLU 6 CO -0.02 0.36 0.60 -1.54 0.01 0.00 0.00 175.26 174.66 2vyr s SER 7 N -1.77 0.07 0.00 -0.19 1.04 -0.12 -4.71 113.70 108.03 2vyr s SER 7 Ca 0.45 -1.01 0.00 0.00 0.48 0.00 0.00 55.95 55.87 2vyr s SER 7 Cb -0.15 0.69 0.00 0.00 0.10 0.00 0.00 66.02 66.66 2vyr s SER 7 CO 0.20 -1.34 0.00 0.61 0.98 0.00 0.00 173.24 173.70 2vyr n GLY 8 N -0.46 0.72 3.80 7.32 0.00 -1.26 -1.24 105.19 114.07 2vyr n GLY 8 Ca -0.03 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.68 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 -1.46 1.66 0.00 -0.02 0.00 -1.26 -4.60 107.32 101.63 2vyr s GLY 9 Ca 0.00 0.04 0.00 0.00 0.00 0.00 0.00 44.72 44.76 2vyr s GLY 9 CO 0.00 0.39 0.00 0.61 0.00 0.00 0.00 173.10 174.10 2vyr n GLY 10 N -1.84 -0.79 3.27 0.20 0.00 -0.89 -4.93 105.19 100.22 2vyr n GLY 10 Ca 0.08 -0.70 -0.33 0.00 0.00 0.00 0.00 46.02 45.08 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 2.36 0.13 0.99 0.20 -1.26 -1.33 118.68 119.77 2vyr s LEU 11 Ca 0.00 -0.47 -0.01 0.00 0.69 0.00 0.00 54.13 54.34 2vyr s LEU 11 Cb 0.00 -1.50 -0.04 0.00 -0.43 0.00 0.00 46.19 44.22 2vyr s LEU 11 CO 0.00 0.15 0.06 0.68 -0.29 0.00 0.00 176.35 176.95 2vyr s VAL 12 N 0.44 0.10 0.49 1.68 -7.23 -0.29 -5.00 120.40 110.60 2vyr s VAL 12 Ca -0.14 -1.89 -0.03 0.00 -1.81 0.00 0.00 61.98 58.11 2vyr s VAL 12 Cb -0.17 -2.04 -0.01 0.00 0.56 0.00 0.00 36.38 34.72 2vyr s VAL 12 CO 0.06 -0.45 0.76 0.00 -0.31 0.00 0.00 175.10 175.16 2vyr s GLN 13 N -4.05 3.19 0.22 4.82 -2.07 -1.26 -1.38 119.66 119.12 2vyr s GLN 13 Ca 0.24 -0.13 -0.32 0.00 -1.82 0.00 0.00 55.36 53.33 2vyr s GLN 13 Cb 0.07 -2.43 -0.14 0.00 -1.09 0.00 0.00 33.01 29.43 2vyr s GLN 13 CO 0.02 -0.35 1.41 -2.30 -1.32 0.00 0.00 175.29 172.74 2vyr n PRO 14 N -2.26 1.95 -0.37 9.60 -0.02 -1.26 -0.64 135.00 141.99 2vyr n PRO 14 Ca 0.02 0.69 0.00 0.00 -2.02 0.00 0.00 63.50 62.19 2vyr n PRO 14 Cb 0.57 -2.35 0.00 0.00 -0.02 0.00 0.00 33.50 31.70 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 2.32 1.14 2.89 -1.23 0.00 0.10 -4.93 105.19 105.49 2vyr n GLY 15 Ca 0.13 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.92 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 -1.77 3.10 -0.02 0.00 0.18 -4.24 105.19 100.44 2vyr n GLY 16 Ca 0.00 -1.64 -0.09 0.00 0.00 0.00 0.00 46.02 44.29 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 -4.48 0.22 -0.11 1.61 1.04 -1.26 -1.65 113.70 109.07 2vyr s SER 17 Ca 0.57 -0.58 -0.14 0.00 0.48 0.00 0.00 55.95 56.28 2vyr s SER 17 Cb -0.03 0.21 0.03 0.00 0.10 0.00 0.00 66.02 66.34 2vyr s SER 17 CO 0.41 -0.50 0.36 -0.76 0.98 0.00 0.00 173.24 173.73 2vyr s LEU 18 N -2.14 0.63 -0.23 2.42 1.43 -0.59 -5.02 118.68 115.19 2vyr s LEU 18 Ca -0.05 0.58 -0.04 0.00 -1.03 0.00 0.00 54.13 53.59 2vyr s LEU 18 Cb -0.01 1.29 -0.00 0.00 0.03 0.00 0.00 46.19 47.50 2vyr s LEU 18 CO -0.05 -0.22 -0.04 -0.60 0.23 0.00 0.00 176.35 175.68 2vyr s ARG 19 N -0.22 3.28 0.18 1.70 3.52 -1.26 -0.64 118.95 125.51 2vyr s ARG 19 Ca -0.04 -0.69 -0.09 0.00 -0.13 0.00 0.00 55.73 54.79 2vyr s ARG 19 Cb -0.03 -3.03 -0.07 0.00 -1.56 0.00 0.00 34.95 30.26 2vyr s ARG 19 CO 0.02 -0.24 0.48 -0.51 -0.81 0.00 0.00 175.30 174.23 2vyr s LEU 20 N 1.46 4.23 0.14 -0.88 1.43 -0.01 -4.61 118.68 120.44 2vyr s LEU 20 Ca 0.05 0.82 0.08 0.00 -1.03 0.00 0.00 54.13 54.05 2vyr s LEU 20 Cb -0.15 -3.46 -0.04 0.00 0.03 0.00 0.00 46.19 42.58 2vyr s LEU 20 CO -0.03 0.01 -0.18 -0.55 0.23 0.00 0.00 176.35 175.82 2vyr s SER 21 N -2.26 2.52 -0.08 2.29 0.15 -0.37 -1.57 113.70 114.38 2vyr s SER 21 Ca 0.43 -0.80 -0.02 0.00 0.70 0.00 0.00 55.95 56.25 2vyr s SER 21 Cb -0.12 -0.14 0.04 0.00 -1.71 0.00 0.00 66.02 64.09 2vyr s SER 21 CO 0.22 -0.03 0.05 0.00 1.20 0.00 0.00 173.24 174.68 2vyr s ALA 23 N 2.10 3.56 0.00 0.00 0.00 0.16 -0.76 121.76 126.82 2vyr s ALA 23 Ca 0.04 -0.86 0.01 0.00 0.00 0.00 0.00 51.96 51.15 2vyr s ALA 23 Cb -0.13 -2.58 -0.04 0.00 0.00 0.00 0.00 23.12 20.37 2vyr s ALA 23 CO -0.05 -0.51 0.03 0.00 0.00 0.00 0.00 175.76 175.23 2vyr s ALA 24 N 1.74 3.41 0.28 0.00 0.00 -0.09 -0.98 121.76 126.12 2vyr s ALA 24 Ca 0.12 -0.93 -0.15 0.00 0.00 0.00 0.00 51.96 51.01 2vyr s ALA 24 Cb -0.15 -1.43 0.01 0.00 0.00 0.00 0.00 23.12 21.54 2vyr s ALA 24 CO 0.09 0.67 0.59 -1.54 0.00 0.00 0.00 175.76 175.56 2vyr s SER 25 N -1.66 -0.06 0.00 0.00 1.04 -0.64 -4.84 113.70 107.53 2vyr s SER 25 Ca 0.21 -0.89 0.00 0.00 0.48 0.00 0.00 55.95 55.75 2vyr s SER 25 Cb -0.12 0.66 0.00 0.00 0.10 0.00 0.00 66.02 66.67 2vyr s SER 25 CO 0.12 -1.27 0.00 0.61 0.98 0.00 0.00 173.24 173.68 2vyr n GLY 26 N -0.44 0.75 3.76 7.32 0.00 -1.26 -1.48 105.19 113.85 2vyr n GLY 26 Ca -0.03 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.91 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 -2.88 -0.11 -1.02 1.61 -0.12 -1.26 -4.27 117.98 109.93 2vyr s PHE 27 Ca 0.00 -0.31 -0.23 0.00 -0.05 0.00 0.00 56.93 56.34 2vyr s PHE 27 Cb 0.00 0.59 0.03 0.00 -0.63 0.00 0.00 43.02 43.01 2vyr s PHE 27 CO 0.00 -1.15 1.57 0.99 -0.05 0.00 0.00 175.22 176.58 2vyr s THR 28 N -3.92 3.84 0.14 -4.49 2.01 -1.26 -4.85 115.64 107.11 2vyr s THR 28 Ca 0.12 -0.76 -0.21 0.00 0.31 0.00 0.00 61.69 61.15 2vyr s THR 28 Cb -0.04 -4.87 0.01 0.00 0.01 0.00 0.00 72.50 67.61 2vyr s THR 28 CO 0.05 -1.75 1.66 0.15 -0.69 0.00 0.00 174.62 174.05 2vyr h PHE 29 N 9.93 -0.39 0.00 4.92 3.57 -1.95 -2.28 116.94 130.74 2vyr h PHE 29 Ca 0.20 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.73 2vyr h PHE 29 Cb 1.00 0.20 0.00 0.00 2.79 0.00 0.00 35.95 39.94 2vyr h PHE 29 CO 1.28 -0.22 0.00 -0.85 -2.23 0.00 0.00 178.31 176.28 2vyr n GLU 30 N -5.31 0.07 0.00 1.11 0.00 -1.26 -1.35 120.64 113.90 2vyr n GLU 30 Ca -0.01 0.26 0.11 0.00 0.00 0.00 0.00 57.16 57.52 2vyr n GLU 30 Cb 0.23 -1.50 0.11 0.00 0.00 0.00 0.00 31.44 30.27 2vyr n GLU 30 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.13 177.52 2vyr n GLU 31 N -1.38 0.04 -4.73 3.44 1.02 -0.86 -4.48 120.64 113.69 2vyr n GLU 31 Ca 0.03 0.00 -0.33 0.00 -0.02 0.00 0.00 57.16 56.84 2vyr n GLU 31 Cb 0.09 -1.51 -0.13 0.00 -0.02 0.00 0.00 31.44 29.87 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 -3.02 2.84 0.90 -0.32 1.51 -0.46 -4.78 117.35 114.01 2vyr s TYR 32 Ca 0.09 -0.39 -0.11 0.00 -1.01 0.00 0.00 57.07 55.66 2vyr s TYR 32 Cb 0.17 -1.79 0.13 0.00 -0.11 0.00 0.00 41.96 40.35 2vyr s TYR 32 CO 0.77 -0.02 1.14 0.00 -1.11 0.00 0.00 175.55 176.32 2vyr n ALA 33 N 3.07 -0.70 -2.54 3.71 0.00 0.38 -4.11 120.51 120.32 2vyr n ALA 33 Ca -0.18 -0.51 -0.09 0.00 0.00 0.00 0.00 53.44 52.66 2vyr n ALA 33 Cb 0.53 -2.20 -0.11 0.00 0.00 0.00 0.00 19.45 17.67 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 -4.49 0.50 0.16 0.00 -1.94 -0.45 -4.31 119.30 108.77 2vyr s MET 34 Ca 0.68 -0.93 0.06 0.00 -1.71 0.00 0.00 55.69 53.79 2vyr s MET 34 Cb -0.24 0.07 -0.04 0.00 2.01 0.00 0.00 34.83 36.63 2vyr s MET 34 CO 0.57 -0.06 -0.12 -0.51 -0.01 0.00 0.00 175.02 174.88 2vyr s LEU 35 N -2.20 2.52 -0.07 -0.03 1.43 -0.58 -1.28 118.68 118.48 2vyr s LEU 35 Ca -0.04 -0.98 0.05 0.00 -1.03 0.00 0.00 54.13 52.13 2vyr s LEU 35 Cb -0.02 -0.50 -0.01 0.00 0.03 0.00 0.00 46.19 45.70 2vyr s LEU 35 CO -0.05 -0.24 -0.24 0.26 0.23 0.00 0.00 176.35 176.31 2vyr s TRP 36 N -3.01 2.37 0.23 0.29 0.52 0.38 -1.57 118.94 118.16 2vyr s TRP 36 Ca 0.18 -0.77 0.05 0.00 0.02 0.00 0.00 56.10 55.58 2vyr s TRP 36 Cb 0.00 -1.57 -0.05 0.00 -1.15 0.00 0.00 33.47 30.70 2vyr s TRP 36 CO 0.03 -0.26 -0.05 0.14 0.02 0.00 0.00 176.95 176.83 2vyr s VAL 37 N -0.01 1.35 0.08 4.03 -7.23 -0.32 -1.02 120.40 117.28 2vyr s VAL 37 Ca -0.07 -2.09 -0.02 0.00 -1.81 0.00 0.00 61.98 57.98 2vyr s VAL 37 Cb -0.15 -2.27 -0.03 0.00 0.56 0.00 0.00 36.38 34.49 2vyr s VAL 37 CO 0.05 -0.41 0.03 0.00 -0.31 0.00 0.00 175.10 174.46 2vyr s ARG 38 N -3.77 0.75 -0.14 4.82 1.70 -0.07 0.00 118.95 122.23 2vyr s ARG 38 Ca 0.26 -1.25 -0.02 0.00 -0.47 0.00 0.00 55.73 54.25 2vyr s ARG 38 Cb 0.04 0.24 0.05 0.00 -0.57 0.00 0.00 34.95 34.71 2vyr s ARG 38 CO 0.08 -0.18 0.03 -1.14 -1.08 0.00 0.00 175.30 173.01 2vyr s GLN 39 N -3.95 0.56 0.70 3.89 0.74 -0.22 -0.98 119.66 120.40 2vyr s GLN 39 Ca 0.12 -0.18 -0.14 0.00 0.05 0.00 0.00 55.36 55.21 2vyr s GLN 39 Cb 0.07 -1.64 0.02 0.00 1.10 0.00 0.00 33.01 32.57 2vyr s GLN 39 CO -0.06 -0.51 1.12 0.00 -0.55 0.00 0.00 175.29 175.28 2vyr s ALA 40 N 1.94 2.33 0.08 1.58 0.00 -1.26 -1.63 121.76 124.79 2vyr s ALA 40 Ca 0.02 0.55 -0.34 0.00 0.00 0.00 0.00 51.96 52.19 2vyr s ALA 40 Cb -0.15 -3.34 -0.13 0.00 0.00 0.00 0.00 23.12 19.50 2vyr s ALA 40 CO -0.07 -1.52 1.72 -2.30 0.00 0.00 0.00 175.76 173.59 2vyr n PRO 41 N -2.74 2.27 -0.94 0.00 -0.02 -1.26 -1.07 135.00 131.23 2vyr n PRO 41 Ca 0.11 0.82 0.00 0.00 -2.02 0.00 0.00 63.50 62.41 2vyr n PRO 41 Cb 0.52 -2.64 0.00 0.00 -0.02 0.00 0.00 33.50 31.36 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 3.87 0.31 0.00 -1.23 0.00 -1.26 -4.97 105.19 101.91 2vyr n GLY 42 Ca 0.19 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.21 2vyr n GLY 42 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2vyr n LYS 43 N -1.26 3.85 -3.84 1.61 4.01 -0.24 -5.17 118.16 117.13 2vyr n LYS 43 Ca 0.00 0.00 -0.22 0.00 -0.51 0.00 0.00 58.31 57.58 2vyr n LYS 43 Cb 0.19 0.00 -0.05 0.00 -0.51 0.00 0.00 35.03 34.66 2vyr n LYS 43 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 2vyr n GLY 44 N 5.00 3.68 3.73 0.72 0.00 -1.26 -4.82 105.19 112.24 2vyr n GLY 44 Ca 0.00 -2.25 -0.42 0.00 0.00 0.00 0.00 46.02 43.35 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 0.00 4.39 -0.07 0.99 0.20 -1.26 -4.27 118.68 118.66 2vyr s LEU 45 Ca 0.04 2.41 0.01 0.00 0.69 0.00 0.00 54.13 57.28 2vyr s LEU 45 Cb 0.00 -3.60 0.02 0.00 -0.43 0.00 0.00 46.19 42.18 2vyr s LEU 45 CO 0.03 -0.62 -0.09 -0.70 -0.29 0.00 0.00 176.35 174.68 2vyr s GLU 46 N 0.47 1.42 0.18 1.98 2.12 -0.15 -5.00 118.70 119.72 2vyr s GLU 46 Ca 0.61 -0.28 -0.30 0.00 0.36 0.00 0.00 54.97 55.36 2vyr s GLU 46 Cb -0.38 -1.32 -0.08 0.00 0.26 0.00 0.00 34.13 32.61 2vyr s GLU 46 CO 0.35 -0.09 1.20 -0.46 -0.54 0.00 0.00 175.26 175.72 2vyr s TRP 47 N 1.06 3.42 -0.15 5.30 -0.00 -1.26 -0.89 118.94 126.42 2vyr s TRP 47 Ca -0.08 1.41 -0.10 0.00 -0.00 0.00 0.00 56.10 57.33 2vyr s TRP 47 Cb -0.14 -3.44 -0.06 0.00 -0.00 0.00 0.00 33.47 29.82 2vyr s TRP 47 CO -0.01 -1.24 -0.24 0.28 -0.00 0.00 0.00 176.95 175.75 2vyr n VAL 48 N 2.54 1.19 -3.49 5.86 0.31 -0.19 -4.62 118.33 119.93 2vyr n VAL 48 Ca 0.05 -0.06 -0.10 0.00 -0.01 0.00 0.00 64.34 64.22 2vyr n VAL 48 Cb 0.45 -1.90 -0.03 0.00 -0.91 0.00 0.00 33.84 31.45 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 -6.37 -0.45 0.04 4.52 0.15 -1.02 -1.16 113.70 109.42 2vyr s SER 49 Ca -0.23 0.11 -0.11 0.00 0.70 0.00 0.00 55.95 56.41 2vyr s SER 49 Cb 0.07 0.45 0.01 0.00 -1.71 0.00 0.00 66.02 64.84 2vyr s SER 49 CO 0.31 -0.69 0.25 -0.83 1.20 0.00 0.00 173.24 173.48 2vyr s GLY 50 N -2.29 -0.04 0.00 9.45 0.00 -0.61 -0.47 107.32 113.36 2vyr s GLY 50 Ca 0.02 -0.15 -0.01 0.00 0.00 0.00 0.00 44.72 44.58 2vyr s GLY 50 CO -0.07 -0.34 0.01 -1.50 0.00 0.00 0.00 173.10 171.20 2vyr s ILE 51 N -2.57 0.04 0.79 0.90 2.07 -0.40 -0.64 121.20 121.39 2vyr s ILE 51 Ca -0.05 -0.34 -0.11 0.00 -1.41 0.00 0.00 60.65 58.74 2vyr s ILE 51 Cb -0.01 -0.14 0.07 0.00 0.13 0.00 0.00 42.46 42.51 2vyr s ILE 51 CO -0.04 -0.19 1.09 0.54 -1.91 0.00 0.00 174.94 174.43 2vyr s ASN 52 N -0.56 4.49 0.29 4.50 2.20 -0.80 -1.35 114.94 123.71 2vyr s ASN 52 Ca -0.06 1.43 0.04 0.00 -0.94 0.00 0.00 52.86 53.33 2vyr s ASN 52 Cb -0.04 -2.18 0.71 0.00 -2.00 0.00 0.00 41.25 37.74 2vyr s ASN 52 CO -0.00 -1.99 1.73 0.00 -2.94 0.00 0.00 177.10 173.90 2vyr h ALA 53 N -1.10 1.49 -0.01 3.54 0.00 -1.82 0.63 119.26 121.99 2vyr h ALA 53 Ca -0.47 0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.57 2vyr h ALA 53 Cb 1.26 0.06 0.00 0.00 0.00 0.00 0.00 17.79 19.11 2vyr h ALA 53 CO 0.57 -0.24 -0.12 0.54 0.00 0.00 0.00 179.25 180.00 2vyr n ARG 54 N -4.95 0.96 -1.96 0.00 1.74 -1.26 -4.74 116.66 106.46 2vyr n ARG 54 Ca 0.22 -0.44 -0.07 0.00 -0.77 0.00 0.00 57.85 56.79 2vyr n ARG 54 Cb 0.61 -1.49 -0.01 0.00 -1.02 0.00 0.00 32.46 30.55 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 1.25 0.24 0.00 -0.13 0.00 0.21 -4.93 105.19 101.83 2vyr n GLY 55 Ca 0.16 -0.63 0.04 0.00 0.00 0.00 0.00 46.02 45.59 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 -3.79 0.00 -4.72 1.61 0.18 -1.26 -4.85 117.16 104.33 2vyr n TYR 56 Ca -0.08 0.00 -0.33 0.00 1.88 0.00 0.00 57.90 59.37 2vyr n TYR 56 Cb 0.50 -0.09 -0.15 0.00 -0.38 0.00 0.00 39.34 39.22 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 -2.15 2.82 0.11 -3.48 2.01 -1.26 -5.04 115.64 108.66 2vyr s THR 57 Ca -0.00 -0.73 0.09 0.00 0.31 0.00 0.00 61.69 61.36 2vyr s THR 57 Cb 0.05 -2.18 -0.04 0.00 0.01 0.00 0.00 72.50 70.34 2vyr s THR 57 CO 0.31 0.52 -0.23 0.42 -0.69 0.00 0.00 174.62 174.95 2vyr s THR 58 N 0.53 1.92 0.04 -0.82 -4.23 -1.26 -1.91 115.64 109.91 2vyr s THR 58 Ca -0.10 -1.62 0.04 0.00 -1.18 0.00 0.00 61.69 58.84 2vyr s THR 58 Cb -0.16 -1.72 -0.02 0.00 1.34 0.00 0.00 72.50 71.94 2vyr s THR 58 CO 0.04 0.00 -0.12 -0.31 -0.54 0.00 0.00 174.62 173.69 2vyr s TYR 59 N -1.11 1.07 0.00 3.99 1.51 0.19 -4.99 117.35 118.01 2vyr s TYR 59 Ca 0.09 -0.37 -0.02 0.00 -1.01 0.00 0.00 57.07 55.77 2vyr s TYR 59 Cb -0.10 -0.63 -0.01 0.00 -0.11 0.00 0.00 41.96 41.11 2vyr s TYR 59 CO 0.05 0.02 0.03 0.71 -1.11 0.00 0.00 175.55 175.24 2vyr s TYR 60 N -0.92 0.09 0.43 2.71 1.51 -1.26 -1.57 117.35 118.34 2vyr s TYR 60 Ca -0.01 -0.19 -0.24 0.00 -1.01 0.00 0.00 57.07 55.62 2vyr s TYR 60 Cb -0.08 -0.08 -0.08 0.00 -0.11 0.00 0.00 41.96 41.61 2vyr s TYR 60 CO 0.01 -0.14 1.19 0.00 -1.11 0.00 0.00 175.55 175.50 2vyr s ALA 61 N -0.83 3.07 0.54 3.71 0.00 -0.31 -4.89 121.76 123.05 2vyr s ALA 61 Ca -0.09 1.00 0.23 0.00 0.00 0.00 0.00 51.96 53.09 2vyr s ALA 61 Cb -0.06 -3.40 1.39 0.00 0.00 0.00 0.00 23.12 21.06 2vyr s ALA 61 CO -0.00 -0.65 2.06 -0.44 0.00 0.00 0.00 175.76 176.73 2vyr h ASP 62 N 2.34 0.00 0.36 0.00 3.32 -1.94 -1.05 116.42 119.44 2vyr h ASP 62 Ca -0.49 0.00 -0.02 0.00 0.02 0.00 0.00 57.03 56.54 2vyr h ASP 62 Cb 1.24 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 40.79 2vyr h ASP 62 CO 0.61 0.00 -0.09 0.77 -1.72 0.00 0.00 179.24 178.81 2vyr h SER 63 N 0.00 0.00 -0.06 6.45 4.64 -1.96 -3.10 113.55 119.52 2vyr h SER 63 Ca 0.14 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.46 2vyr h SER 63 Cb 0.59 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.68 2vyr h SER 63 CO -0.00 0.09 0.00 1.33 -0.87 0.00 0.00 176.83 177.38 2vyr n VAL 64 N -3.58 0.50 -1.75 0.95 0.24 -0.43 -5.00 118.33 109.25 2vyr n VAL 64 Ca -0.02 -0.75 -0.42 0.00 -2.04 0.00 0.00 64.34 61.12 2vyr n VAL 64 Cb 0.22 0.79 -0.01 0.00 -1.47 0.00 0.00 33.84 33.37 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 0.04 2.65 -0.05 7.34 5.02 -1.00 -1.40 118.16 130.77 2vyr n LYS 65 Ca 0.03 0.94 0.00 0.00 -2.02 0.00 0.00 58.31 57.26 2vyr n LYS 65 Cb 0.21 -2.70 0.00 0.00 -0.02 0.00 0.00 35.03 32.52 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 1.63 2.14 0.08 0.72 0.00 -1.26 -4.73 105.19 103.77 2vyr n GLY 66 Ca 0.06 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.99 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 0.33 -3.86 1.61 1.74 -0.61 -5.01 116.66 108.86 2vyr n ARG 67 Ca 0.00 0.08 -0.32 0.00 -0.77 0.00 0.00 57.85 56.83 2vyr n ARG 67 Cb 0.00 -1.26 -0.05 0.00 -1.02 0.00 0.00 32.46 30.14 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 -2.26 3.53 -0.07 -1.55 0.40 -0.49 -1.47 117.98 116.06 2vyr s PHE 68 Ca -0.18 0.37 0.00 0.00 -0.60 0.00 0.00 56.93 56.52 2vyr s PHE 68 Cb 0.05 -1.84 0.02 0.00 0.51 0.00 0.00 43.02 41.75 2vyr s PHE 68 CO 0.30 0.59 -0.06 0.99 0.70 0.00 0.00 175.22 177.75 2vyr s THR 69 N -1.44 0.75 -0.05 0.64 2.01 0.38 -4.89 115.64 113.04 2vyr s THR 69 Ca 0.32 -0.19 -0.05 0.00 0.31 0.00 0.00 61.69 62.08 2vyr s THR 69 Cb -0.13 -0.77 -0.04 0.00 0.01 0.00 0.00 72.50 71.57 2vyr s THR 69 CO 0.23 0.29 0.18 -0.51 -0.69 0.00 0.00 174.62 174.12 2vyr s ILE 70 N 1.26 5.44 0.30 1.82 2.07 -1.26 -0.54 121.20 130.30 2vyr s ILE 70 Ca -0.05 0.05 -0.16 0.00 -1.41 0.00 0.00 60.65 59.08 2vyr s ILE 70 Cb -0.14 -3.49 0.02 0.00 0.13 0.00 0.00 42.46 38.99 2vyr s ILE 70 CO -0.02 0.46 0.66 -0.94 -1.91 0.00 0.00 174.94 173.19 2vyr s SER 71 N -1.51 -0.07 0.03 4.50 1.04 -1.07 -5.01 113.70 111.61 2vyr s SER 71 Ca 0.22 -0.88 -0.11 0.00 0.48 0.00 0.00 55.95 55.66 2vyr s SER 71 Cb -0.12 0.72 0.01 0.00 0.10 0.00 0.00 66.02 66.73 2vyr s SER 71 CO 0.12 -1.38 0.23 0.00 0.98 0.00 0.00 173.24 173.19 2vyr s ARG 72 N -3.49 0.70 -0.36 4.02 1.70 -1.26 -0.21 118.95 120.05 2vyr s ARG 72 Ca 0.16 -0.53 0.03 0.00 -0.47 0.00 0.00 55.73 54.92 2vyr s ARG 72 Cb -0.04 0.30 0.11 0.00 -0.57 0.00 0.00 34.95 34.74 2vyr s ARG 72 CO 0.10 -0.20 0.09 0.34 -1.08 0.00 0.00 175.30 174.54 2vyr s ASP 73 N -1.93 4.52 0.46 -2.89 3.68 -0.14 -5.00 116.67 115.37 2vyr s ASP 73 Ca -0.07 -2.19 0.15 0.00 2.13 0.00 0.00 52.55 52.58 2vyr s ASP 73 Cb -0.02 -1.46 1.05 0.00 -1.45 0.00 0.00 42.92 41.04 2vyr s ASP 73 CO -0.02 -0.36 2.00 0.78 0.13 0.00 0.00 175.17 177.70 2vyr h ASN 74 N 7.53 0.00 0.67 -0.34 2.35 -1.96 -0.91 115.58 122.92 2vyr h ASN 74 Ca -0.06 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.69 2vyr h ASN 74 Cb 1.00 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.37 2vyr h ASN 74 CO 0.53 0.17 0.00 0.77 -1.65 0.00 0.00 177.43 177.25 2vyr h SER 75 N 0.00 0.00 -0.01 5.81 4.64 -1.95 -2.07 113.55 119.97 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 0.31 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.40 2vyr h SER 75 CO 0.02 0.00 -0.15 0.29 -0.87 0.00 0.00 176.83 176.12 2vyr n LYS 76 N -2.63 1.60 -3.90 4.77 5.02 -0.45 -5.00 118.16 117.57 2vyr n LYS 76 Ca 0.01 -0.77 -0.27 0.00 -2.02 0.00 0.00 58.31 55.26 2vyr n LYS 76 Cb 0.22 -1.13 0.01 0.00 -0.02 0.00 0.00 35.03 34.11 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 0.01 -2.06 -4.04 4.39 5.03 -0.59 -4.81 115.26 113.19 2vyr n ASN 77 Ca 0.05 -0.89 -0.22 0.00 0.87 0.00 0.00 54.58 54.39 2vyr n ASN 77 Cb 0.23 -3.54 -0.16 0.00 -1.02 0.00 0.00 39.78 35.29 2vyr n ASN 77 CO 0.00 0.00 0.00 -0.89 -1.83 0.00 0.00 177.26 174.54 2vyr s THR 78 N -3.62 0.98 -0.00 3.41 2.01 -1.00 -0.91 115.64 116.50 2vyr s THR 78 Ca 0.26 -0.47 0.01 0.00 0.31 0.00 0.00 61.69 61.80 2vyr s THR 78 Cb -0.13 -0.87 -0.04 0.00 0.01 0.00 0.00 72.50 71.48 2vyr s THR 78 CO 0.85 0.30 0.03 -0.22 -0.69 0.00 0.00 174.62 174.89 2vyr s LEU 79 N 0.18 3.64 0.14 4.42 2.96 0.06 -0.97 118.68 129.11 2vyr s LEU 79 Ca -0.04 0.05 0.08 0.00 -0.22 0.00 0.00 54.13 54.00 2vyr s LEU 79 Cb -0.10 -2.09 -0.04 0.00 0.50 0.00 0.00 46.19 44.46 2vyr s LEU 79 CO 0.01 0.28 -0.18 -0.31 -1.32 0.00 0.00 176.35 174.83 2vyr s TYR 80 N -1.12 1.72 -0.22 5.38 1.51 0.71 -0.31 117.35 125.02 2vyr s TYR 80 Ca 0.20 -0.48 -0.03 0.00 -1.01 0.00 0.00 57.07 55.75 2vyr s TYR 80 Cb -0.12 -0.88 0.07 0.00 -0.11 0.00 0.00 41.96 40.92 2vyr s TYR 80 CO 0.11 0.26 0.08 -1.17 -1.11 0.00 0.00 175.55 173.72 2vyr s LEU 81 N -2.44 0.93 -0.38 -1.29 1.98 -0.61 -2.61 118.68 114.27 2vyr s LEU 81 Ca 0.12 -0.93 -0.21 0.00 -2.89 0.00 0.00 54.13 50.22 2vyr s LEU 81 Cb -0.07 -0.48 0.01 0.00 0.66 0.00 0.00 46.19 46.32 2vyr s LEU 81 CO 0.05 -0.35 0.68 -1.58 -1.89 0.00 0.00 176.35 173.25 2vyr s GLN 82 N 1.96 3.61 -0.35 1.98 2.00 0.30 -0.83 119.66 128.32 2vyr s GLN 82 Ca 0.03 0.02 -0.08 0.00 -2.00 0.00 0.00 55.36 53.33 2vyr s GLN 82 Cb -0.17 -3.84 0.04 0.00 0.80 0.00 0.00 33.01 29.84 2vyr s GLN 82 CO -0.15 -0.83 0.14 -1.64 -0.50 0.00 0.00 175.29 172.31 2vyr s MET 83 N 2.85 2.69 0.28 1.67 -1.94 0.18 -0.47 119.30 124.56 2vyr s MET 83 Ca 0.26 -1.14 0.07 0.00 -1.71 0.00 0.00 55.69 53.17 2vyr s MET 83 Cb -0.14 -3.56 -0.03 0.00 2.01 0.00 0.00 34.83 33.11 2vyr s MET 83 CO 0.17 -0.68 0.20 -0.80 -0.01 0.00 0.00 175.02 173.90 2vyr s ASN 84 N 1.46 5.35 -1.48 3.03 0.01 -0.54 -1.54 114.94 121.22 2vyr s ASN 84 Ca -0.00 -0.36 -0.09 0.00 -0.71 0.00 0.00 52.86 51.69 2vyr s ASN 84 Cb -0.19 -1.22 0.06 0.00 0.41 0.00 0.00 41.25 40.30 2vyr s ASN 84 CO 0.04 -0.12 0.79 -1.20 -1.51 0.00 0.00 177.10 175.10 2vyr n SER 85 N -1.20 -2.92 -4.64 -1.22 7.64 -1.14 -4.63 113.62 105.52 2vyr n SER 85 Ca -0.06 -0.86 -0.36 0.00 1.01 0.00 0.00 58.87 58.60 2vyr n SER 85 Cb 0.59 -3.64 0.09 0.00 -1.01 0.00 0.00 64.21 60.23 2vyr n SER 85 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 2vyr n LEU 86 N -4.49 3.94 -4.16 -3.43 4.77 -0.66 -4.51 117.00 108.46 2vyr n LEU 86 Ca -0.10 0.69 -0.14 0.00 -0.03 0.00 0.00 56.01 56.42 2vyr n LEU 86 Cb 0.59 -1.44 -0.11 0.00 -2.33 0.00 0.00 43.42 40.13 2vyr n LEU 86 CO 0.75 -1.86 -0.42 -0.13 -1.33 0.00 0.00 177.39 174.40 2vyr s ARG 87 N -3.40 0.80 0.37 3.23 0.52 -1.26 0.03 118.95 119.24 2vyr s ARG 87 Ca 0.75 -1.08 0.13 0.00 -0.52 0.00 0.00 55.73 55.00 2vyr s ARG 87 Cb -0.35 -0.51 0.94 0.00 0.52 0.00 0.00 34.95 35.55 2vyr s ARG 87 CO 0.49 0.08 1.83 1.15 0.02 0.00 0.00 175.30 178.87 2vyr h THR 88 N 3.75 0.70 0.00 0.02 2.02 -1.97 0.16 112.91 117.60 2vyr h THR 88 Ca -0.37 -0.19 0.00 0.00 0.77 0.00 0.00 66.41 66.62 2vyr h THR 88 Cb 1.19 0.09 0.00 0.00 -1.74 0.00 0.00 68.15 67.69 2vyr h THR 88 CO 0.50 0.10 0.00 -0.62 0.37 0.00 0.00 175.52 175.87 2vyr n GLU 89 N -4.60 0.20 0.00 6.66 4.71 -1.26 -1.90 120.64 124.45 2vyr n GLU 89 Ca 0.21 0.12 0.14 0.00 -0.01 0.00 0.00 57.16 57.62 2vyr n GLU 89 Cb 0.64 -1.50 0.55 0.00 -1.01 0.00 0.00 31.44 30.13 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 -1.35 0.19 -4.68 1.62 10.43 0.58 -4.86 116.55 118.48 2vyr n ASP 90 Ca 0.08 0.09 -0.45 0.00 2.57 0.00 0.00 54.79 57.08 2vyr n ASP 90 Cb 0.17 -0.24 -0.04 0.00 1.84 0.00 0.00 41.12 42.86 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 -1.39 0.40 -3.61 -3.53 -1.04 -0.80 -4.91 114.28 99.41 2vyr n THR 91 Ca 0.09 -0.07 -0.03 0.00 -2.04 0.00 0.00 64.05 61.99 2vyr n THR 91 Cb 0.32 -1.96 -0.02 0.00 -1.82 0.00 0.00 70.33 66.85 2vyr n THR 91 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2vyr s ALA 92 N 2.94 -2.12 -0.02 2.41 0.00 -0.54 -4.39 121.76 120.04 2vyr s ALA 92 Ca 0.85 1.54 -0.27 0.00 0.00 0.00 0.00 51.96 54.08 2vyr s ALA 92 Cb -0.58 -0.10 -0.04 0.00 0.00 0.00 0.00 23.12 22.41 2vyr s ALA 92 CO 0.42 -0.65 0.86 0.08 0.00 0.00 0.00 175.76 176.47 2vyr s VAL 93 N -2.35 4.91 -0.16 0.00 1.01 -0.65 -0.73 120.40 122.43 2vyr s VAL 93 Ca 0.10 1.80 -0.06 0.00 0.00 0.00 0.00 61.98 63.82 2vyr s VAL 93 Cb -0.00 -4.20 -0.04 0.00 0.00 0.00 0.00 36.38 32.14 2vyr s VAL 93 CO -0.04 0.21 0.05 -0.31 0.00 0.00 0.00 175.10 175.01 2vyr s TYR 94 N 0.82 3.25 -0.05 5.22 1.51 0.67 -1.06 117.35 127.71 2vyr s TYR 94 Ca 0.46 0.10 0.06 0.00 -1.01 0.00 0.00 57.07 56.68 2vyr s TYR 94 Cb -0.20 -2.02 -0.01 0.00 -0.11 0.00 0.00 41.96 39.62 2vyr s TYR 94 CO 0.24 0.24 -0.25 0.71 -1.11 0.00 0.00 175.55 175.38 2vyr s TYR 95 N 0.07 2.43 0.08 2.71 1.51 0.10 -0.91 117.35 123.33 2vyr s TYR 95 Ca 0.05 -0.68 -0.26 0.00 -1.01 0.00 0.00 57.07 55.17 2vyr s TYR 95 Cb -0.12 -1.59 -0.06 0.00 -0.11 0.00 0.00 41.96 40.08 2vyr s TYR 95 CO 0.01 -0.19 0.80 0.00 -1.11 0.00 0.00 175.55 175.05 2vyr s ALA 97 N -0.29 0.37 -0.24 0.00 0.00 -0.60 -2.21 121.76 118.79 2vyr s ALA 97 Ca 0.39 -0.12 -0.11 0.00 0.00 0.00 0.00 51.96 52.11 2vyr s ALA 97 Cb -0.21 -0.14 -0.05 0.00 0.00 0.00 0.00 23.12 22.71 2vyr s ALA 97 CO 0.25 0.06 0.20 0.21 0.00 0.00 0.00 175.76 176.48 2vyr s LYS 98 N 0.12 4.08 0.72 0.00 2.20 0.02 -1.53 119.74 125.35 2vyr s LYS 98 Ca -0.01 -0.20 -0.12 0.00 -0.36 0.00 0.00 55.97 55.29 2vyr s LYS 98 Cb -0.04 -3.55 0.03 0.00 -1.51 0.00 0.00 37.83 32.76 2vyr s LYS 98 CO -0.00 0.03 1.09 -1.25 -0.36 0.00 0.00 175.35 174.85 2vyr s PRO 99 N 1.16 2.56 0.10 4.03 0.05 -1.26 -0.29 135.00 141.35 2vyr s PRO 99 Ca 0.09 1.18 -0.16 0.00 0.05 0.00 0.00 61.00 62.16 2vyr s PRO 99 Cb -0.14 -1.93 -0.06 0.00 0.05 0.00 0.00 34.50 32.42 2vyr s PRO 99 CO 0.05 -1.41 1.49 2.35 0.05 0.00 0.00 177.00 179.54 2vyr h TRP 100 N -0.71 0.73 -3.28 0.56 2.91 -1.33 -3.40 115.95 111.43 2vyr h TRP 100 Ca -0.44 -0.17 -0.61 0.00 1.13 0.00 0.00 58.89 58.80 2vyr h TRP 100 Cb 1.23 -0.17 -0.14 0.00 -0.51 0.00 0.00 29.16 29.56 2vyr h TRP 100 CO 0.58 0.83 -0.53 0.71 -1.03 0.00 0.00 178.44 179.00 2vyr s TYR 101 N -4.71 3.31 0.65 2.65 2.02 -1.26 -4.99 117.35 115.02 2vyr s TYR 101 Ca -0.13 0.17 0.36 0.00 -0.37 0.00 0.00 57.07 57.10 2vyr s TYR 101 Cb 0.09 -2.11 1.97 0.00 -0.40 0.00 0.00 41.96 41.51 2vyr s TYR 101 CO 0.80 0.21 2.15 -1.35 -1.57 0.00 0.00 175.55 175.79 2vyr h PRO 102 N 6.67 0.00 -0.02 -1.71 0.11 -1.86 -1.78 132.00 133.41 2vyr h PRO 102 Ca -0.39 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.72 2vyr h PRO 102 Cb 1.16 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.27 2vyr h PRO 102 CO 0.73 0.00 -0.42 1.97 -0.21 0.00 0.00 178.00 180.06 2vyr n PHE 103 N -3.19 0.00 -2.87 0.65 1.16 -1.26 -0.47 117.46 111.48 2vyr n PHE 103 Ca -0.02 0.00 -0.43 0.00 -1.87 0.00 0.00 57.45 55.14 2vyr n PHE 103 Cb 0.24 -0.01 -0.04 0.00 -1.61 0.00 0.00 39.48 38.05 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 -2.45 3.57 0.00 3.97 -1.94 -0.67 -4.83 119.30 116.96 2vyr s MET 104 Ca 0.20 0.17 0.00 0.00 -1.71 0.00 0.00 55.69 54.35 2vyr s MET 104 Cb 0.18 -3.90 0.00 0.00 2.01 0.00 0.00 34.83 33.13 2vyr s MET 104 CO 0.55 -1.11 0.35 0.00 -0.01 0.00 0.00 175.02 174.80 2vyr n ALA 105 N 6.91 1.83 -2.24 3.03 0.00 -1.26 -4.62 120.51 124.16 2vyr n ALA 105 Ca 0.05 -0.35 -0.23 0.00 0.00 0.00 0.00 53.44 52.91 2vyr n ALA 105 Cb 0.48 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.94 2vyr n ALA 105 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 2vyr s SER 106 N -0.04 4.91 0.23 0.00 1.04 -1.26 -3.65 113.70 114.93 2vyr s SER 106 Ca 0.00 -0.97 -0.31 0.00 0.48 0.00 0.00 55.95 55.14 2vyr s SER 106 Cb 0.00 0.07 -0.14 0.00 0.10 0.00 0.00 66.02 66.05 2vyr s SER 106 CO 0.00 -1.03 1.29 1.17 0.98 0.00 0.00 173.24 175.65 2vyr n LYS 107 N -1.83 1.70 0.00 4.02 4.81 -1.26 -2.41 118.16 123.19 2vyr n LYS 107 Ca 0.05 0.60 0.00 0.00 -0.87 0.00 0.00 58.31 58.09 2vyr n LYS 107 Cb 0.63 -2.18 0.00 0.00 0.02 0.00 0.00 35.03 33.49 2vyr n LYS 107 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 2vyr n GLY 108 N 1.97 3.36 3.58 3.14 0.00 -1.26 -5.02 105.19 110.95 2vyr n GLY 108 Ca 0.12 0.00 -0.58 0.00 0.00 0.00 0.00 46.02 45.56 2vyr n GLY 108 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2vyr n SER 109 N 0.02 0.87 -4.69 1.61 7.64 -1.01 -4.82 113.62 113.24 2vyr n SER 109 Ca 0.00 1.14 -0.42 0.00 1.01 0.00 0.00 58.87 60.60 2vyr n SER 109 Cb 0.00 -1.02 -0.03 0.00 -1.01 0.00 0.00 64.21 62.15 2vyr n SER 109 CO 0.00 0.00 0.00 -0.70 -3.01 0.00 0.00 175.04 171.33 2vyr s GLU 110 N 0.84 4.16 0.57 1.43 2.12 -1.26 -4.96 118.70 121.61 2vyr s GLU 110 Ca 0.91 2.48 -0.17 0.00 0.36 0.00 0.00 54.97 58.55 2vyr s GLU 110 Cb -1.18 -3.67 -0.05 0.00 0.26 0.00 0.00 34.13 29.49 2vyr s GLU 110 CO 0.58 -0.81 1.07 -0.06 -0.54 0.00 0.00 175.26 175.49 2vyr s PHE 111 N 2.92 2.91 -0.04 5.30 0.08 -1.26 -1.13 117.98 126.76 2vyr s PHE 111 Ca 0.79 1.53 -0.07 0.00 0.12 0.00 0.00 56.93 59.30 2vyr s PHE 111 Cb -0.43 -3.07 -0.03 0.00 -0.57 0.00 0.00 43.02 38.92 2vyr s PHE 111 CO 0.35 -1.17 -0.15 -3.47 -0.10 0.00 0.00 175.22 170.68 2vyr n ASP 112 N -1.74 1.33 -4.17 1.36 2.03 0.60 -4.41 116.55 111.55 2vyr n ASP 112 Ca 0.09 0.20 -0.11 0.00 0.52 0.00 0.00 54.79 55.50 2vyr n ASP 112 Cb 0.52 -0.48 -0.10 0.00 -0.72 0.00 0.00 41.12 40.35 2vyr n ASP 112 CO 0.00 0.00 0.00 -0.31 -1.92 0.00 0.00 177.20 174.97 2vyr s TYR 113 N -2.35 0.91 0.08 -0.67 1.51 -1.08 -5.01 117.35 110.74 2vyr s TYR 113 Ca -0.13 -0.85 -0.18 0.00 -1.01 0.00 0.00 57.07 54.89 2vyr s TYR 113 Cb 0.03 -0.52 0.04 0.00 -0.11 0.00 0.00 41.96 41.40 2vyr s TYR 113 CO 0.19 -0.12 0.43 1.67 -1.11 0.00 0.00 175.55 176.62 2vyr s TRP 114 N -3.36 -0.28 0.68 2.71 -2.14 -1.26 -0.80 118.94 114.49 2vyr s TRP 114 Ca 0.10 0.15 -0.07 0.00 2.66 0.00 0.00 56.10 58.94 2vyr s TRP 114 Cb 0.03 0.26 0.15 0.00 -3.10 0.00 0.00 33.47 30.81 2vyr s TRP 114 CO -0.04 -0.64 0.93 0.41 -2.66 0.00 0.00 176.95 174.96 2vyr n GLY 115 N 0.20 -0.40 0.12 3.67 0.00 -0.94 -4.81 105.19 103.03 2vyr n GLY 115 Ca -0.18 -1.86 0.13 0.00 0.00 0.00 0.00 46.02 44.12 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 -2.86 0.25 0.00 1.61 10.64 -1.26 -4.84 117.38 120.91 2vyr n GLN 116 Ca 0.13 0.30 0.00 0.00 -1.83 0.00 0.00 57.00 55.61 2vyr n GLN 116 Cb 0.46 -1.85 0.00 0.00 -0.86 0.00 0.00 30.24 27.99 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 0.81 -0.38 2.94 2.61 0.00 -1.26 -5.00 105.19 104.91 2vyr n GLY 117 Ca 0.04 -1.70 -0.18 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 -2.41 0.51 -0.07 2.61 -1.32 -0.09 -4.83 115.64 110.04 2vyr s THR 118 Ca 0.00 -0.20 -0.25 0.00 -1.21 0.00 0.00 61.69 60.03 2vyr s THR 118 Cb 0.00 -0.47 -0.03 0.00 -1.51 0.00 0.00 72.50 70.48 2vyr s THR 118 CO 0.00 0.18 0.76 -0.22 -2.21 0.00 0.00 174.62 173.13 2vyr s LEU 119 N 0.29 4.31 -0.18 9.08 0.20 -1.26 -0.24 118.68 130.89 2vyr s LEU 119 Ca -0.04 1.27 0.00 0.00 0.69 0.00 0.00 54.13 56.05 2vyr s LEU 119 Cb -0.08 -3.18 0.01 0.00 -0.43 0.00 0.00 46.19 42.51 2vyr s LEU 119 CO -0.00 -0.17 -0.17 -0.69 -0.29 0.00 0.00 176.35 175.02 2vyr s VAL 120 N 1.00 2.38 -0.14 1.68 1.01 0.09 -2.09 120.40 124.33 2vyr s VAL 120 Ca 0.40 -0.85 0.01 0.00 0.00 0.00 0.00 61.98 61.55 2vyr s VAL 120 Cb -0.18 -2.01 -0.00 0.00 0.00 0.00 0.00 36.38 34.19 2vyr s VAL 120 CO 0.19 0.52 -0.18 -0.89 0.00 0.00 0.00 175.10 174.74 2vyr s THR 121 N 1.16 2.52 -0.35 3.92 2.01 -0.44 -1.47 115.64 122.98 2vyr s THR 121 Ca 0.01 -0.83 0.02 0.00 0.31 0.00 0.00 61.69 61.20 2vyr s THR 121 Cb -0.14 -2.04 0.10 0.00 0.01 0.00 0.00 72.50 70.44 2vyr s THR 121 CO -0.07 0.53 0.08 -0.69 -0.69 0.00 0.00 174.62 173.78 2vyr s VAL 122 N 0.61 2.50 -0.05 3.82 1.01 -1.26 -1.14 120.40 125.90 2vyr s VAL 122 Ca -0.10 -2.26 -0.03 0.00 0.00 0.00 0.00 61.98 59.59 2vyr s VAL 122 Cb -0.16 -2.81 0.03 0.00 0.00 0.00 0.00 36.38 33.44 2vyr s VAL 122 CO 0.03 -0.61 0.12 -0.94 0.00 0.00 0.00 175.10 173.71 2vyr s SER 123 N 1.11 -0.10 0.00 3.32 1.04 -0.48 -4.21 113.70 114.37 2vyr s SER 123 Ca 0.10 0.25 0.00 0.00 0.48 0.00 0.00 55.95 56.78 2vyr s SER 123 Cb -0.20 0.19 0.00 0.00 0.10 0.00 0.00 66.02 66.11 2vyr s SER 123 CO -0.07 -0.10 0.15 -1.20 0.98 0.00 0.00 173.24 172.99