#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 3.43 0.02 6.31 1.01 -1.26 -3.89 120.40 126.01 2vyr s VAL 2 Ca 0.00 0.71 0.04 0.00 0.00 0.00 0.00 61.98 62.73 2vyr s VAL 2 Cb 0.00 -3.46 -0.02 0.00 0.00 0.00 0.00 36.38 32.91 2vyr s VAL 2 CO 0.00 -0.03 -0.12 0.00 0.00 0.00 0.00 175.10 174.95 2vyr s GLN 3 N 3.24 0.85 -0.15 2.72 -2.07 -0.03 -4.97 119.66 119.24 2vyr s GLN 3 Ca 0.72 -0.57 -0.01 0.00 -1.82 0.00 0.00 55.36 53.68 2vyr s GLN 3 Cb -0.35 -0.81 0.04 0.00 -1.09 0.00 0.00 33.01 30.79 2vyr s GLN 3 CO 0.30 0.21 -0.05 -0.51 -1.32 0.00 0.00 175.29 173.92 2vyr s LEU 4 N -0.75 1.44 -0.35 2.60 1.43 -1.26 -1.34 118.68 120.45 2vyr s LEU 4 Ca 0.02 -0.56 -0.03 0.00 -1.03 0.00 0.00 54.13 52.53 2vyr s LEU 4 Cb -0.06 -0.85 0.07 0.00 0.03 0.00 0.00 46.19 45.37 2vyr s LEU 4 CO 0.00 -0.18 0.09 -0.76 0.23 0.00 0.00 176.35 175.74 2vyr s LEU 5 N 1.68 4.45 0.22 1.79 1.43 -0.34 -4.05 118.68 123.87 2vyr s LEU 5 Ca 0.02 -1.53 -0.12 0.00 -1.03 0.00 0.00 54.13 51.47 2vyr s LEU 5 Cb -0.15 -1.78 -0.07 0.00 0.03 0.00 0.00 46.19 44.22 2vyr s LEU 5 CO -0.08 -0.37 0.58 -1.61 0.23 0.00 0.00 176.35 175.11 2vyr s GLU 6 N 1.23 3.91 0.36 1.70 8.01 -1.26 -0.92 118.70 131.74 2vyr s GLU 6 Ca 0.00 0.43 -0.15 0.00 0.01 0.00 0.00 54.97 55.26 2vyr s GLU 6 Cb -0.21 -2.71 0.04 0.00 -4.31 0.00 0.00 34.13 26.94 2vyr s GLU 6 CO -0.02 0.35 0.73 -1.54 0.01 0.00 0.00 175.26 174.79 2vyr s SER 7 N -2.12 0.09 0.00 -0.19 1.04 -0.04 -4.67 113.70 107.81 2vyr s SER 7 Ca 0.45 -1.12 0.00 0.00 0.48 0.00 0.00 55.95 55.76 2vyr s SER 7 Cb -0.12 0.81 0.00 0.00 0.10 0.00 0.00 66.02 66.80 2vyr s SER 7 CO 0.20 -1.59 0.00 0.61 0.98 0.00 0.00 173.24 173.44 2vyr n GLY 8 N -0.52 1.87 3.56 7.32 0.00 -1.26 -0.98 105.19 115.17 2vyr n GLY 8 Ca -0.06 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.67 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 -2.47 1.58 0.00 -0.02 0.00 -1.26 -4.59 107.32 100.55 2vyr s GLY 9 Ca 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 44.72 44.70 2vyr s GLY 9 CO 0.00 0.62 0.00 0.61 0.00 0.00 0.00 173.10 174.33 2vyr n GLY 10 N 0.37 -0.53 3.50 0.20 0.00 -0.32 -4.90 105.19 103.51 2vyr n GLY 10 Ca 0.05 -0.82 -0.34 0.00 0.00 0.00 0.00 46.02 44.91 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 3.09 0.05 0.99 0.20 -1.26 0.52 118.68 122.27 2vyr s LEU 11 Ca 0.00 -0.14 -0.06 0.00 0.69 0.00 0.00 54.13 54.63 2vyr s LEU 11 Cb 0.00 -1.70 -0.01 0.00 -0.43 0.00 0.00 46.19 44.04 2vyr s LEU 11 CO 0.00 0.24 0.10 0.68 -0.29 0.00 0.00 176.35 177.08 2vyr s VAL 12 N -0.11 0.15 0.37 1.68 -7.23 0.22 -4.98 120.40 110.50 2vyr s VAL 12 Ca 0.01 -1.26 -0.24 0.00 -1.81 0.00 0.00 61.98 58.67 2vyr s VAL 12 Cb -0.13 -1.15 -0.10 0.00 0.56 0.00 0.00 36.38 35.57 2vyr s VAL 12 CO 0.03 -0.70 0.99 0.00 -0.31 0.00 0.00 175.10 175.11 2vyr s GLN 13 N -3.22 4.35 0.24 4.82 -2.07 -1.25 -0.60 119.66 121.93 2vyr s GLN 13 Ca 0.00 1.37 -0.30 0.00 -1.82 0.00 0.00 55.36 54.62 2vyr s GLN 13 Cb 0.02 -2.60 -0.15 0.00 -1.09 0.00 0.00 33.01 29.20 2vyr s GLN 13 CO -0.07 0.06 0.99 -2.30 -1.32 0.00 0.00 175.29 172.64 2vyr n PRO 14 N 0.11 1.09 0.00 9.60 -0.02 -1.26 -0.54 135.00 143.98 2vyr n PRO 14 Ca 0.04 0.38 0.00 0.00 -2.02 0.00 0.00 63.50 61.90 2vyr n PRO 14 Cb 0.50 -1.74 0.00 0.00 -0.02 0.00 0.00 33.50 32.24 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 1.58 3.01 0.31 -1.23 0.00 0.19 -4.95 105.19 104.10 2vyr n GLY 15 Ca 0.13 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 46.12 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 -2.18 3.12 -0.02 0.00 0.30 -3.82 105.19 100.59 2vyr n GLY 16 Ca 0.00 -1.50 -0.08 0.00 0.00 0.00 0.00 46.02 44.44 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 -1.68 0.31 -0.01 1.61 1.04 -1.26 -2.24 113.70 111.47 2vyr s SER 17 Ca 0.06 -0.79 -0.11 0.00 0.48 0.00 0.00 55.95 55.59 2vyr s SER 17 Cb -0.01 0.24 0.01 0.00 0.10 0.00 0.00 66.02 66.37 2vyr s SER 17 CO 0.05 -0.60 0.23 -0.76 0.98 0.00 0.00 173.24 173.13 2vyr s LEU 18 N -2.68 1.19 -0.19 2.42 1.43 -0.22 -5.01 118.68 115.62 2vyr s LEU 18 Ca 0.03 -0.05 -0.00 0.00 -1.03 0.00 0.00 54.13 53.08 2vyr s LEU 18 Cb 0.05 0.98 0.01 0.00 0.03 0.00 0.00 46.19 47.25 2vyr s LEU 18 CO -0.09 -0.40 -0.15 -0.60 0.23 0.00 0.00 176.35 175.34 2vyr s ARG 19 N -1.33 3.12 0.18 1.70 3.52 -1.26 -0.59 118.95 124.29 2vyr s ARG 19 Ca -0.14 -0.77 -0.08 0.00 -0.13 0.00 0.00 55.73 54.61 2vyr s ARG 19 Cb -0.06 -2.69 -0.06 0.00 -1.56 0.00 0.00 34.95 30.57 2vyr s ARG 19 CO 0.03 -0.18 0.47 -0.51 -0.81 0.00 0.00 175.30 174.30 2vyr s LEU 20 N 1.29 4.23 0.10 -0.88 1.43 -0.22 -4.51 118.68 120.12 2vyr s LEU 20 Ca 0.04 0.80 0.06 0.00 -1.03 0.00 0.00 54.13 54.00 2vyr s LEU 20 Cb -0.14 -3.47 -0.03 0.00 0.03 0.00 0.00 46.19 42.58 2vyr s LEU 20 CO -0.09 0.00 -0.16 -0.94 0.23 0.00 0.00 176.35 175.40 2vyr s SER 21 N -2.30 2.03 -0.13 2.29 1.04 -0.15 -1.19 113.70 115.29 2vyr s SER 21 Ca 0.43 -0.72 -0.03 0.00 0.48 0.00 0.00 55.95 56.12 2vyr s SER 21 Cb -0.12 -0.08 0.05 0.00 0.10 0.00 0.00 66.02 65.97 2vyr s SER 21 CO 0.22 -0.07 0.05 0.00 0.98 0.00 0.00 173.24 174.42 2vyr s ALA 23 N 2.03 3.51 -0.02 0.00 0.00 -0.09 -1.37 121.76 125.81 2vyr s ALA 23 Ca 0.03 -0.78 -0.02 0.00 0.00 0.00 0.00 51.96 51.19 2vyr s ALA 23 Cb -0.15 -3.06 -0.04 0.00 0.00 0.00 0.00 23.12 19.88 2vyr s ALA 23 CO -0.07 -1.11 0.12 0.00 0.00 0.00 0.00 175.76 174.70 2vyr s ALA 24 N 2.53 3.72 0.25 0.00 0.00 0.16 -1.19 121.76 127.22 2vyr s ALA 24 Ca 0.23 -0.81 -0.17 0.00 0.00 0.00 0.00 51.96 51.21 2vyr s ALA 24 Cb -0.15 -1.71 0.01 0.00 0.00 0.00 0.00 23.12 21.27 2vyr s ALA 24 CO 0.12 0.70 0.57 -1.54 0.00 0.00 0.00 175.76 175.61 2vyr s SER 25 N -1.68 -0.19 0.00 0.00 1.04 -0.45 -4.85 113.70 107.58 2vyr s SER 25 Ca 0.23 -0.72 0.00 0.00 0.48 0.00 0.00 55.95 55.94 2vyr s SER 25 Cb -0.12 0.63 0.00 0.00 0.10 0.00 0.00 66.02 66.63 2vyr s SER 25 CO 0.14 -1.19 0.00 0.61 0.98 0.00 0.00 173.24 173.78 2vyr n GLY 26 N -0.40 0.83 3.62 7.32 0.00 -1.25 -0.85 105.19 114.46 2vyr n GLY 26 Ca -0.04 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.88 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 -2.99 0.37 -0.94 1.61 -0.12 -1.26 -4.20 117.98 110.45 2vyr s PHE 27 Ca 0.00 -0.74 -0.21 0.00 -0.05 0.00 0.00 56.93 55.92 2vyr s PHE 27 Cb 0.00 0.26 0.09 0.00 -0.63 0.00 0.00 43.02 42.73 2vyr s PHE 27 CO 0.00 -1.07 1.26 0.99 -0.05 0.00 0.00 175.22 176.35 2vyr s THR 28 N -3.79 4.30 0.29 -4.49 2.01 -1.26 -4.87 115.64 107.82 2vyr s THR 28 Ca 0.22 -1.03 0.02 0.00 0.31 0.00 0.00 61.69 61.21 2vyr s THR 28 Cb -0.01 -4.90 0.28 0.00 0.01 0.00 0.00 72.50 67.88 2vyr s THR 28 CO 0.10 -1.71 1.80 0.15 -0.69 0.00 0.00 174.62 174.28 2vyr h PHE 29 N 9.37 1.07 0.00 4.92 3.57 -1.95 -0.93 116.94 132.99 2vyr h PHE 29 Ca 0.12 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.65 2vyr h PHE 29 Cb 1.02 -0.33 0.00 0.00 2.79 0.00 0.00 35.95 39.43 2vyr h PHE 29 CO 1.20 0.34 0.00 -0.85 -2.23 0.00 0.00 178.31 176.77 2vyr n GLU 30 N -4.71 0.34 0.00 1.11 0.00 -1.26 -2.04 120.64 114.08 2vyr n GLU 30 Ca 0.20 0.08 0.10 0.00 0.00 0.00 0.00 57.16 57.55 2vyr n GLU 30 Cb 0.44 -1.50 -0.06 0.00 0.00 0.00 0.00 31.44 30.32 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 -1.17 0.01 -4.90 3.44 1.02 -0.35 -4.76 120.64 113.93 2vyr n GLU 31 Ca 0.09 -0.00 -0.33 0.00 -0.02 0.00 0.00 57.16 56.90 2vyr n GLU 31 Cb 0.09 -1.50 -0.15 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 -3.01 2.73 0.64 -0.32 1.51 -0.87 -4.81 117.35 113.22 2vyr s TYR 32 Ca 0.08 -0.63 -0.18 0.00 -1.01 0.00 0.00 57.07 55.33 2vyr s TYR 32 Cb 0.16 -1.77 -0.02 0.00 -0.11 0.00 0.00 41.96 40.23 2vyr s TYR 32 CO 0.84 -0.18 1.25 0.00 -1.11 0.00 0.00 175.55 176.35 2vyr n ALA 33 N 3.28 1.03 -2.46 3.71 0.00 0.03 -3.75 120.51 122.35 2vyr n ALA 33 Ca -0.18 0.00 -0.15 0.00 0.00 0.00 0.00 53.44 53.11 2vyr n ALA 33 Cb 0.53 -2.30 -0.11 0.00 0.00 0.00 0.00 19.45 17.57 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 -3.27 0.91 0.15 0.00 -1.94 -0.28 -4.29 119.30 110.58 2vyr s MET 34 Ca 0.81 -1.20 0.07 0.00 -1.71 0.00 0.00 55.69 53.66 2vyr s MET 34 Cb -0.39 -0.63 -0.04 0.00 2.01 0.00 0.00 34.83 35.78 2vyr s MET 34 CO 0.41 0.10 -0.16 -0.51 -0.01 0.00 0.00 175.02 174.86 2vyr s LEU 35 N -2.51 2.44 -0.07 -0.03 1.43 -0.47 -1.34 118.68 118.13 2vyr s LEU 35 Ca 0.07 -0.87 0.04 0.00 -1.03 0.00 0.00 54.13 52.34 2vyr s LEU 35 Cb -0.03 -0.70 -0.02 0.00 0.03 0.00 0.00 46.19 45.48 2vyr s LEU 35 CO 0.01 -0.10 -0.19 0.26 0.23 0.00 0.00 176.35 176.56 2vyr s TRP 36 N -2.24 2.60 0.12 0.29 0.52 0.25 -1.46 118.94 119.02 2vyr s TRP 36 Ca 0.14 -0.52 0.02 0.00 0.02 0.00 0.00 56.10 55.76 2vyr s TRP 36 Cb -0.05 -1.66 -0.04 0.00 -1.15 0.00 0.00 33.47 30.57 2vyr s TRP 36 CO 0.05 -0.09 -0.07 0.14 0.02 0.00 0.00 176.95 177.01 2vyr s VAL 37 N -0.23 0.80 0.06 4.03 -7.23 -0.45 -1.08 120.40 116.30 2vyr s VAL 37 Ca -0.00 -1.97 -0.06 0.00 -1.81 0.00 0.00 61.98 58.14 2vyr s VAL 37 Cb -0.13 -1.76 -0.02 0.00 0.56 0.00 0.00 36.38 35.03 2vyr s VAL 37 CO 0.03 -0.81 0.10 0.00 -0.31 0.00 0.00 175.10 174.11 2vyr s ARG 38 N -3.82 0.71 -0.24 4.82 1.70 0.12 -0.49 118.95 121.75 2vyr s ARG 38 Ca 0.14 -0.98 -0.02 0.00 -0.47 0.00 0.00 55.73 54.40 2vyr s ARG 38 Cb 0.05 0.28 0.07 0.00 -0.57 0.00 0.00 34.95 34.78 2vyr s ARG 38 CO -0.03 -0.19 0.04 -1.14 -1.08 0.00 0.00 175.30 172.90 2vyr s GLN 39 N -3.56 0.86 0.60 3.89 0.74 -0.25 0.22 119.66 122.15 2vyr s GLN 39 Ca 0.03 -0.73 -0.13 0.00 0.05 0.00 0.00 55.36 54.58 2vyr s GLN 39 Cb 0.04 -2.16 -0.05 0.00 1.10 0.00 0.00 33.01 31.94 2vyr s GLN 39 CO -0.09 -0.74 1.02 0.00 -0.55 0.00 0.00 175.29 174.93 2vyr s ALA 40 N 1.69 3.05 0.05 1.58 0.00 -1.26 -1.27 121.76 125.60 2vyr s ALA 40 Ca 0.01 0.01 -0.36 0.00 0.00 0.00 0.00 51.96 51.62 2vyr s ALA 40 Cb -0.17 -3.10 -0.15 0.00 0.00 0.00 0.00 23.12 19.69 2vyr s ALA 40 CO -0.13 -0.62 1.51 -2.30 0.00 0.00 0.00 175.76 174.22 2vyr n PRO 41 N -2.45 1.55 -0.94 0.00 -0.02 -1.26 -1.78 135.00 130.09 2vyr n PRO 41 Ca 0.06 0.56 0.00 0.00 -2.02 0.00 0.00 63.50 62.11 2vyr n PRO 41 Cb 0.54 -2.27 0.00 0.00 -0.02 0.00 0.00 33.50 31.75 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 3.15 0.82 3.64 -1.23 0.00 -1.26 -5.00 105.19 105.31 2vyr n GLY 42 Ca 0.19 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.92 2vyr n GLY 42 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2vyr s LYS 43 N -0.15 2.01 0.67 1.61 -2.85 -0.74 -5.16 119.74 115.13 2vyr s LYS 43 Ca 0.00 -2.21 0.02 0.00 -1.00 0.00 0.00 55.97 52.78 2vyr s LYS 43 Cb 0.00 -1.36 0.11 0.00 -2.06 0.00 0.00 37.83 34.52 2vyr s LYS 43 CO 0.00 -0.25 0.92 0.20 0.10 0.00 0.00 175.35 176.32 2vyr s GLY 44 N -3.73 1.76 0.07 0.59 0.00 -1.26 -4.59 107.32 100.15 2vyr s GLY 44 Ca 0.22 -1.81 -0.33 0.00 0.00 0.00 0.00 44.72 42.80 2vyr s GLY 44 CO 0.11 -1.29 1.73 1.04 0.00 0.00 0.00 173.10 174.70 2vyr n LEU 45 N -2.64 3.41 -4.35 0.66 4.77 -1.26 -4.55 117.00 113.04 2vyr n LEU 45 Ca 0.15 1.03 -0.34 0.00 -0.03 0.00 0.00 56.01 56.81 2vyr n LEU 45 Cb 0.61 -1.43 -0.14 0.00 -2.33 0.00 0.00 43.42 40.13 2vyr n LEU 45 CO 0.42 -0.11 -0.41 -0.70 -1.33 0.00 0.00 177.39 175.26 2vyr s GLU 46 N 2.36 3.40 0.22 3.23 2.12 0.13 -4.94 118.70 125.22 2vyr s GLU 46 Ca 0.84 -0.64 -0.30 0.00 0.36 0.00 0.00 54.97 55.23 2vyr s GLU 46 Cb -0.64 -2.85 -0.09 0.00 0.26 0.00 0.00 34.13 30.80 2vyr s GLU 46 CO 0.42 -0.00 1.38 -0.46 -0.54 0.00 0.00 175.26 176.06 2vyr s TRP 47 N 0.95 3.14 -0.12 5.30 -0.00 -1.26 -0.70 118.94 126.25 2vyr s TRP 47 Ca -0.01 1.11 -0.06 0.00 -0.00 0.00 0.00 56.10 57.13 2vyr s TRP 47 Cb -0.15 -3.71 -0.05 0.00 -0.00 0.00 0.00 33.47 29.56 2vyr s TRP 47 CO 0.00 -2.30 -0.16 0.28 -0.00 0.00 0.00 176.95 174.77 2vyr n VAL 48 N 2.59 0.67 -3.47 5.86 0.31 -0.24 -4.64 118.33 119.40 2vyr n VAL 48 Ca 0.07 -0.17 -0.11 0.00 -0.01 0.00 0.00 64.34 64.12 2vyr n VAL 48 Cb 0.41 -1.65 -0.02 0.00 -0.91 0.00 0.00 33.84 31.68 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 -6.08 -0.51 0.07 4.52 0.15 -0.94 -1.24 113.70 109.68 2vyr s SER 49 Ca -0.17 -0.05 -0.17 0.00 0.70 0.00 0.00 55.95 56.26 2vyr s SER 49 Cb 0.07 0.58 0.03 0.00 -1.71 0.00 0.00 66.02 64.99 2vyr s SER 49 CO 0.22 -0.95 0.39 -0.83 1.20 0.00 0.00 173.24 173.26 2vyr s GLY 50 N -2.73 -0.24 -0.03 9.45 0.00 -0.58 -0.58 107.32 112.60 2vyr s GLY 50 Ca 0.03 0.12 -0.06 0.00 0.00 0.00 0.00 44.72 44.80 2vyr s GLY 50 CO -0.11 -0.14 0.15 -1.50 0.00 0.00 0.00 173.10 171.50 2vyr s ILE 51 N -3.01 0.03 0.76 0.90 2.07 -0.45 -0.80 121.20 120.71 2vyr s ILE 51 Ca -0.02 -0.28 -0.11 0.00 -1.41 0.00 0.00 60.65 58.83 2vyr s ILE 51 Cb 0.00 -0.30 0.05 0.00 0.13 0.00 0.00 42.46 42.34 2vyr s ILE 51 CO -0.06 -0.15 1.08 0.54 -1.91 0.00 0.00 174.94 174.44 2vyr s ASN 52 N -0.50 4.81 0.24 4.50 4.22 -0.58 -1.13 114.94 126.51 2vyr s ASN 52 Ca -0.06 1.46 -0.05 0.00 -2.14 0.00 0.00 52.86 52.07 2vyr s ASN 52 Cb -0.04 -2.25 0.46 0.00 1.28 0.00 0.00 41.25 40.70 2vyr s ASN 52 CO 0.01 -1.78 1.67 0.00 -2.04 0.00 0.00 177.10 174.96 2vyr h ALA 53 N -0.96 0.92 0.00 3.54 0.00 -1.88 -1.20 119.26 119.68 2vyr h ALA 53 Ca -0.46 0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.64 2vyr h ALA 53 Cb 1.24 0.27 0.00 0.00 0.00 0.00 0.00 17.79 19.30 2vyr h ALA 53 CO 0.58 -0.36 0.00 0.54 0.00 0.00 0.00 179.25 180.00 2vyr n ARG 54 N -5.20 0.13 -0.56 0.00 1.74 -1.26 -4.92 116.66 106.59 2vyr n ARG 54 Ca 0.14 0.07 0.00 0.00 -0.77 0.00 0.00 57.85 57.29 2vyr n ARG 54 Cb 0.46 -1.50 0.00 0.00 -1.02 0.00 0.00 32.46 30.40 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 0.91 1.26 0.59 -0.13 0.00 -0.46 -4.88 105.19 102.49 2vyr n GLY 55 Ca 0.08 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.17 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 -2.00 0.03 -4.08 1.61 0.18 -1.26 -4.85 117.16 106.78 2vyr n TYR 56 Ca 0.00 -0.02 -0.33 0.00 1.88 0.00 0.00 57.90 59.43 2vyr n TYR 56 Cb 0.00 -0.00 -0.16 0.00 -0.38 0.00 0.00 39.34 38.80 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 -1.19 2.27 0.17 -3.48 2.01 -1.26 -5.05 115.64 109.10 2vyr s THR 57 Ca 0.17 -0.90 0.09 0.00 0.31 0.00 0.00 61.69 61.36 2vyr s THR 57 Cb 0.12 -1.98 -0.04 0.00 0.01 0.00 0.00 72.50 70.61 2vyr s THR 57 CO 0.18 0.50 -0.19 0.42 -0.69 0.00 0.00 174.62 174.84 2vyr s THR 58 N 1.31 1.90 0.04 -0.82 -4.23 -1.26 -1.53 115.64 111.04 2vyr s THR 58 Ca 0.05 -1.95 0.03 0.00 -1.18 0.00 0.00 61.69 58.64 2vyr s THR 58 Cb -0.13 -1.89 -0.02 0.00 1.34 0.00 0.00 72.50 71.79 2vyr s THR 58 CO -0.11 -0.30 -0.10 -0.31 -0.54 0.00 0.00 174.62 173.26 2vyr s TYR 59 N -2.03 0.82 0.00 3.99 1.51 0.02 -4.99 117.35 116.68 2vyr s TYR 59 Ca 0.17 -0.38 -0.02 0.00 -1.01 0.00 0.00 57.07 55.82 2vyr s TYR 59 Cb -0.06 -0.49 -0.01 0.00 -0.11 0.00 0.00 41.96 41.29 2vyr s TYR 59 CO 0.07 -0.03 0.04 0.71 -1.11 0.00 0.00 175.55 175.23 2vyr s TYR 60 N -1.00 0.09 0.44 2.71 1.51 -1.26 -1.53 117.35 118.30 2vyr s TYR 60 Ca -0.04 -0.18 -0.24 0.00 -1.01 0.00 0.00 57.07 55.60 2vyr s TYR 60 Cb -0.08 -0.08 -0.08 0.00 -0.11 0.00 0.00 41.96 41.62 2vyr s TYR 60 CO 0.01 -0.14 1.23 0.00 -1.11 0.00 0.00 175.55 175.54 2vyr s ALA 61 N -0.83 3.10 0.47 3.71 0.00 -0.37 -4.87 121.76 122.97 2vyr s ALA 61 Ca -0.09 1.09 0.22 0.00 0.00 0.00 0.00 51.96 53.17 2vyr s ALA 61 Cb -0.06 -3.44 1.23 0.00 0.00 0.00 0.00 23.12 20.86 2vyr s ALA 61 CO -0.00 -0.76 1.92 -0.44 0.00 0.00 0.00 175.76 176.47 2vyr h ASP 62 N 2.34 0.22 0.59 0.00 3.45 -1.94 -1.81 116.42 119.26 2vyr h ASP 62 Ca -0.49 0.02 -0.01 0.00 0.43 0.00 0.00 57.03 56.97 2vyr h ASP 62 Cb 1.25 -0.03 -0.00 0.00 -0.56 0.00 0.00 39.33 39.99 2vyr h ASP 62 CO 0.61 0.10 -0.05 0.77 -1.57 0.00 0.00 179.24 179.11 2vyr h SER 63 N 0.23 0.00 0.00 6.45 4.64 -1.96 -3.13 113.55 119.78 2vyr h SER 63 Ca 0.37 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.69 2vyr h SER 63 Cb 1.13 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.22 2vyr h SER 63 CO -0.08 0.05 0.00 1.33 -0.87 0.00 0.00 176.83 177.26 2vyr n VAL 64 N -3.25 0.00 -1.67 0.95 0.24 -0.75 -5.01 118.33 108.84 2vyr n VAL 64 Ca -0.01 -0.48 -0.50 0.00 -2.04 0.00 0.00 64.34 61.30 2vyr n VAL 64 Cb 0.24 1.01 -0.05 0.00 -1.47 0.00 0.00 33.84 33.57 2vyr n VAL 64 CO 0.00 0.00 0.00 1.17 -2.14 0.00 0.00 176.83 175.86 2vyr n LYS 65 N -0.57 1.81 0.00 7.34 4.81 -0.82 -1.05 118.16 129.67 2vyr n LYS 65 Ca 0.00 0.66 0.00 0.00 -0.87 0.00 0.00 58.31 58.10 2vyr n LYS 65 Cb 0.00 -2.43 0.00 0.00 0.02 0.00 0.00 35.03 32.63 2vyr n LYS 65 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 2vyr n GLY 66 N 3.91 1.17 0.04 3.14 0.00 -1.26 -4.83 105.19 107.36 2vyr n GLY 66 Ca 0.22 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 46.18 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 1.11 -4.03 1.61 1.74 -0.22 -5.02 116.66 109.85 2vyr n ARG 67 Ca 0.00 0.03 -0.33 0.00 -0.77 0.00 0.00 57.85 56.79 2vyr n ARG 67 Cb 0.00 -1.18 -0.06 0.00 -1.02 0.00 0.00 32.46 30.19 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 -2.18 3.37 -0.07 -1.55 0.40 -0.87 -1.25 117.98 115.81 2vyr s PHE 68 Ca -0.09 0.24 -0.00 0.00 -0.60 0.00 0.00 56.93 56.48 2vyr s PHE 68 Cb 0.03 -1.76 0.03 0.00 0.51 0.00 0.00 43.02 41.83 2vyr s PHE 68 CO 0.24 0.58 -0.03 0.99 0.70 0.00 0.00 175.22 177.70 2vyr s THR 69 N -1.26 0.58 0.07 0.64 2.01 0.45 -4.88 115.64 113.26 2vyr s THR 69 Ca 0.25 -0.05 -0.14 0.00 0.31 0.00 0.00 61.69 62.06 2vyr s THR 69 Cb -0.12 -0.67 -0.06 0.00 0.01 0.00 0.00 72.50 71.66 2vyr s THR 69 CO 0.16 0.28 0.46 -0.51 -0.69 0.00 0.00 174.62 174.33 2vyr s ILE 70 N 1.60 4.97 0.28 1.82 2.07 -1.26 -0.60 121.20 130.08 2vyr s ILE 70 Ca 0.00 0.77 -0.13 0.00 -1.41 0.00 0.00 60.65 59.88 2vyr s ILE 70 Cb -0.13 -3.72 0.01 0.00 0.13 0.00 0.00 42.46 38.75 2vyr s ILE 70 CO -0.04 0.40 0.54 -0.94 -1.91 0.00 0.00 174.94 172.99 2vyr s SER 71 N -1.45 0.02 -0.04 4.50 1.04 -1.02 -5.00 113.70 111.75 2vyr s SER 71 Ca 0.31 -0.97 -0.17 0.00 0.48 0.00 0.00 55.95 55.59 2vyr s SER 71 Cb -0.16 0.64 0.03 0.00 0.10 0.00 0.00 66.02 66.64 2vyr s SER 71 CO 0.17 -1.24 0.38 0.00 0.98 0.00 0.00 173.24 173.53 2vyr s ARG 72 N -3.73 0.70 -0.40 4.02 1.70 -1.26 -0.95 118.95 119.03 2vyr s ARG 72 Ca 0.21 -0.01 0.03 0.00 -0.47 0.00 0.00 55.73 55.49 2vyr s ARG 72 Cb -0.02 0.32 0.11 0.00 -0.57 0.00 0.00 34.95 34.80 2vyr s ARG 72 CO 0.10 -0.19 0.15 0.34 -1.08 0.00 0.00 175.30 174.62 2vyr s ASP 73 N -1.08 4.30 0.29 -2.89 3.68 0.08 -4.99 116.67 116.06 2vyr s ASP 73 Ca -0.11 -2.36 -0.02 0.00 2.13 0.00 0.00 52.55 52.20 2vyr s ASP 73 Cb -0.04 -1.37 0.44 0.00 -1.45 0.00 0.00 42.92 40.50 2vyr s ASP 73 CO 0.05 -0.33 1.91 0.78 0.13 0.00 0.00 175.17 177.71 2vyr h ASN 74 N 7.27 0.87 0.10 -0.34 2.35 -1.94 -0.07 115.58 123.82 2vyr h ASN 74 Ca -0.06 -0.07 -0.00 0.00 -0.55 0.00 0.00 56.30 55.61 2vyr h ASN 74 Cb 0.97 -0.22 -0.00 0.00 0.05 0.00 0.00 38.32 39.12 2vyr h ASN 74 CO 0.55 0.71 -0.00 0.77 -1.65 0.00 0.00 177.43 177.80 2vyr h SER 75 N 0.98 0.00 -0.27 5.81 4.64 -1.95 -0.50 113.55 122.26 2vyr h SER 75 Ca 0.25 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.57 2vyr h SER 75 Cb 0.04 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.13 2vyr h SER 75 CO -0.04 0.00 0.00 0.29 -0.87 0.00 0.00 176.83 176.21 2vyr n LYS 76 N -3.13 2.04 -4.04 4.77 5.02 -0.09 -4.98 118.16 117.74 2vyr n LYS 76 Ca -0.03 -1.87 -0.32 0.00 -2.02 0.00 0.00 58.31 54.07 2vyr n LYS 76 Cb 0.09 -1.34 -0.00 0.00 -0.02 0.00 0.00 35.03 33.76 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 0.89 -3.41 -4.03 4.39 5.03 -0.20 -4.82 115.26 113.11 2vyr n ASN 77 Ca 0.13 -0.91 -0.22 0.00 0.87 0.00 0.00 54.58 54.45 2vyr n ASN 77 Cb 0.44 -3.31 -0.16 0.00 -1.02 0.00 0.00 39.78 35.73 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 -3.40 0.99 0.02 3.41 2.01 -0.98 -0.67 115.64 117.02 2vyr s THR 78 Ca 0.58 -0.46 0.02 0.00 0.31 0.00 0.00 61.69 62.14 2vyr s THR 78 Cb -0.30 -0.88 -0.04 0.00 0.01 0.00 0.00 72.50 71.29 2vyr s THR 78 CO 0.88 0.30 0.01 -0.22 -0.69 0.00 0.00 174.62 174.90 2vyr s LEU 79 N 0.25 3.54 0.11 4.42 2.96 -0.47 -0.74 118.68 128.75 2vyr s LEU 79 Ca -0.05 -0.03 0.06 0.00 -0.22 0.00 0.00 54.13 53.88 2vyr s LEU 79 Cb -0.11 -2.09 -0.04 0.00 0.50 0.00 0.00 46.19 44.46 2vyr s LEU 79 CO 0.01 0.25 -0.15 -0.31 -1.32 0.00 0.00 176.35 174.84 2vyr s TYR 80 N -1.15 1.39 -0.21 5.38 1.51 -0.12 -0.28 117.35 123.87 2vyr s TYR 80 Ca 0.21 -0.53 -0.03 0.00 -1.01 0.00 0.00 57.07 55.72 2vyr s TYR 80 Cb -0.12 -0.74 0.07 0.00 -0.11 0.00 0.00 41.96 41.06 2vyr s TYR 80 CO 0.13 0.13 0.04 -1.17 -1.11 0.00 0.00 175.55 173.57 2vyr s LEU 81 N -2.28 1.29 -0.27 -1.29 2.96 -0.33 -2.43 118.68 116.33 2vyr s LEU 81 Ca 0.07 -0.93 -0.24 0.00 -0.22 0.00 0.00 54.13 52.81 2vyr s LEU 81 Cb -0.06 -0.63 -0.01 0.00 0.50 0.00 0.00 46.19 46.00 2vyr s LEU 81 CO 0.03 -0.32 0.79 -1.58 -1.32 0.00 0.00 176.35 173.95 2vyr s GLN 82 N 1.83 4.10 -0.26 1.98 2.00 0.23 -1.05 119.66 128.50 2vyr s GLN 82 Ca 0.00 0.77 -0.01 0.00 -2.00 0.00 0.00 55.36 54.12 2vyr s GLN 82 Cb -0.17 -3.67 0.03 0.00 0.80 0.00 0.00 33.01 30.00 2vyr s GLN 82 CO -0.11 -0.56 -0.06 -1.64 -0.50 0.00 0.00 175.29 172.43 2vyr s MET 83 N 2.84 2.71 0.40 1.67 -1.94 0.24 -0.41 119.30 124.81 2vyr s MET 83 Ca 0.33 -1.06 0.08 0.00 -1.71 0.00 0.00 55.69 53.33 2vyr s MET 83 Cb -0.15 -2.99 -0.05 0.00 2.01 0.00 0.00 34.83 33.64 2vyr s MET 83 CO 0.09 -0.45 0.15 -0.80 -0.01 0.00 0.00 175.02 174.00 2vyr s ASN 84 N 1.29 4.39 -1.66 3.03 0.01 -0.38 -1.05 114.94 120.55 2vyr s ASN 84 Ca -0.01 -1.06 -0.17 0.00 -0.71 0.00 0.00 52.86 50.91 2vyr s ASN 84 Cb -0.17 -0.50 0.14 0.00 0.41 0.00 0.00 41.25 41.12 2vyr s ASN 84 CO -0.04 -0.48 0.79 -1.20 -1.51 0.00 0.00 177.10 174.66 2vyr n SER 85 N -1.18 -3.34 -4.70 -1.22 7.64 -1.11 -4.67 113.62 105.04 2vyr n SER 85 Ca -0.02 -0.98 -0.41 0.00 1.01 0.00 0.00 58.87 58.48 2vyr n SER 85 Cb 0.64 -2.93 0.02 0.00 -1.01 0.00 0.00 64.21 60.93 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 -4.43 4.12 -4.52 -3.43 4.77 -0.95 -4.59 117.00 107.98 2vyr n LEU 86 Ca 0.05 1.09 -0.27 0.00 -0.03 0.00 0.00 56.01 56.85 2vyr n LEU 86 Cb 0.51 -1.50 -0.10 0.00 -2.33 0.00 0.00 43.42 39.99 2vyr n LEU 86 CO 0.84 -0.68 -0.45 -0.13 -1.33 0.00 0.00 177.39 175.64 2vyr s ARG 87 N -2.27 1.87 0.29 3.23 0.52 -1.26 -0.64 118.95 120.68 2vyr s ARG 87 Ca 0.62 -1.35 0.01 0.00 -0.52 0.00 0.00 55.73 54.49 2vyr s ARG 87 Cb -0.50 -2.05 0.69 0.00 0.52 0.00 0.00 34.95 33.61 2vyr s ARG 87 CO 0.57 0.42 1.62 1.15 0.02 0.00 0.00 175.30 179.09 2vyr h THR 88 N 2.93 0.23 0.00 0.02 2.02 -1.95 0.19 112.91 116.35 2vyr h THR 88 Ca -0.47 -0.04 0.00 0.00 0.77 0.00 0.00 66.41 66.67 2vyr h THR 88 Cb 1.20 0.09 0.00 0.00 -1.74 0.00 0.00 68.15 67.70 2vyr h THR 88 CO 0.52 0.02 0.00 -1.84 0.37 0.00 0.00 175.52 174.59 2vyr n GLU 89 N -5.32 0.69 0.00 6.66 0.00 -1.26 -1.83 120.64 119.57 2vyr n GLU 89 Ca 0.21 0.00 0.14 0.00 0.00 0.00 0.00 57.16 57.51 2vyr n GLU 89 Cb 0.69 -1.36 0.54 0.00 0.00 0.00 0.00 31.44 31.30 2vyr n GLU 89 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.13 176.88 2vyr n ASP 90 N -0.86 0.92 -4.72 -1.84 10.43 0.68 -4.89 116.55 116.27 2vyr n ASP 90 Ca 0.12 -1.00 -0.42 0.00 2.57 0.00 0.00 54.79 56.06 2vyr n ASP 90 Cb 0.05 0.02 -0.03 0.00 1.84 0.00 0.00 41.12 43.01 2vyr n ASP 90 CO 0.00 0.00 0.00 -0.89 -1.07 0.00 0.00 177.20 175.24 2vyr s THR 91 N -2.30 2.06 0.00 -3.53 2.01 -0.76 -4.91 115.64 108.21 2vyr s THR 91 Ca 0.32 0.04 0.00 0.00 0.31 0.00 0.00 61.69 62.36 2vyr s THR 91 Cb 0.20 -3.03 0.00 0.00 0.01 0.00 0.00 72.50 69.69 2vyr s THR 91 CO 0.44 0.00 0.00 0.00 -0.69 0.00 0.00 174.62 174.37 2vyr n ALA 92 N 3.77 0.00 -2.71 7.40 0.00 -0.61 -4.39 120.51 123.98 2vyr n ALA 92 Ca 0.15 0.00 -0.38 0.00 0.00 0.00 0.00 53.44 53.21 2vyr n ALA 92 Cb 0.36 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 19.75 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 5.14 -0.17 0.00 1.01 -0.40 -1.11 120.40 122.87 2vyr s VAL 93 Ca 0.00 1.09 -0.07 0.00 0.00 0.00 0.00 61.98 63.01 2vyr s VAL 93 Cb 0.00 -3.88 -0.04 0.00 0.00 0.00 0.00 36.38 32.46 2vyr s VAL 93 CO 0.00 0.31 0.06 -0.31 0.00 0.00 0.00 175.10 175.16 2vyr s TYR 94 N 0.61 3.25 0.02 5.22 1.51 -0.19 -1.09 117.35 126.68 2vyr s TYR 94 Ca 0.29 0.10 0.09 0.00 -1.01 0.00 0.00 57.07 56.54 2vyr s TYR 94 Cb -0.16 -2.03 -0.03 0.00 -0.11 0.00 0.00 41.96 39.63 2vyr s TYR 94 CO 0.13 0.22 -0.26 0.71 -1.11 0.00 0.00 175.55 175.23 2vyr s TYR 95 N 0.14 2.33 0.11 2.71 1.51 0.35 -1.15 117.35 123.36 2vyr s TYR 95 Ca 0.04 -0.42 -0.26 0.00 -1.01 0.00 0.00 57.07 55.43 2vyr s TYR 95 Cb -0.12 -1.43 -0.07 0.00 -0.11 0.00 0.00 41.96 40.23 2vyr s TYR 95 CO 0.01 0.07 0.80 0.00 -1.11 0.00 0.00 175.55 175.31 2vyr s ALA 97 N -0.57 0.75 -0.31 0.00 0.00 -0.53 -2.35 121.76 118.75 2vyr s ALA 97 Ca 0.38 -0.11 -0.16 0.00 0.00 0.00 0.00 51.96 52.08 2vyr s ALA 97 Cb -0.22 -0.45 -0.02 0.00 0.00 0.00 0.00 23.12 22.43 2vyr s ALA 97 CO 0.25 -0.01 0.41 0.21 0.00 0.00 0.00 175.76 176.62 2vyr s LYS 98 N 0.91 3.81 0.43 0.00 2.20 0.39 -1.37 119.74 126.10 2vyr s LYS 98 Ca -0.11 -0.11 -0.24 0.00 -0.36 0.00 0.00 55.97 55.15 2vyr s LYS 98 Cb -0.14 -3.73 -0.08 0.00 -1.51 0.00 0.00 37.83 32.37 2vyr s LYS 98 CO 0.00 -0.43 1.12 -1.25 -0.36 0.00 0.00 175.35 174.44 2vyr s PRO 99 N 2.14 3.97 0.35 4.03 0.04 -1.26 -1.73 135.00 142.54 2vyr s PRO 99 Ca 0.15 1.67 0.05 0.00 0.04 0.00 0.00 61.00 62.91 2vyr s PRO 99 Cb -0.16 -2.50 0.66 0.00 0.04 0.00 0.00 34.50 32.54 2vyr s PRO 99 CO 0.11 -0.35 1.93 0.11 0.04 0.00 0.00 177.00 178.84 2vyr h TRP 100 N 2.32 0.57 -3.68 0.56 5.08 -1.95 -3.40 115.95 115.46 2vyr h TRP 100 Ca -0.49 -0.03 -0.64 0.00 1.08 0.00 0.00 58.89 58.81 2vyr h TRP 100 Cb 1.23 -0.18 -0.15 0.00 -3.00 0.00 0.00 29.16 27.07 2vyr h TRP 100 CO 0.55 0.49 -0.18 -0.47 -1.28 0.00 0.00 178.44 177.55 2vyr s TYR 101 N -5.17 3.23 0.59 0.12 5.04 -1.26 -4.96 117.35 114.93 2vyr s TYR 101 Ca -0.08 0.31 0.28 0.00 -2.44 0.00 0.00 57.07 55.14 2vyr s TYR 101 Cb 0.16 -2.68 1.58 0.00 0.35 0.00 0.00 41.96 41.38 2vyr s TYR 101 CO 0.76 -0.33 2.02 -1.35 -1.34 0.00 0.00 175.55 175.31 2vyr h PRO 102 N 8.27 0.00 -0.03 4.97 0.11 -1.89 -1.41 132.00 142.02 2vyr h PRO 102 Ca -0.30 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.81 2vyr h PRO 102 Cb 1.15 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.26 2vyr h PRO 102 CO 0.69 0.00 -0.04 1.19 -0.21 0.00 0.00 178.00 179.62 2vyr n PHE 103 N -3.79 0.00 -2.50 0.65 3.01 -1.26 -0.79 117.46 112.79 2vyr n PHE 103 Ca 0.04 0.00 -0.41 0.00 1.01 0.00 0.00 57.45 58.09 2vyr n PHE 103 Cb 0.45 0.00 -0.03 0.00 -0.01 0.00 0.00 39.48 39.89 2vyr n PHE 103 CO 0.00 0.00 0.00 1.41 1.01 0.00 0.00 176.76 179.18 2vyr s MET 104 N -1.97 3.15 0.00 -1.08 1.75 -0.53 -4.80 119.30 115.83 2vyr s MET 104 Ca 0.26 -0.20 0.08 0.00 -1.25 0.00 0.00 55.69 54.57 2vyr s MET 104 Cb 0.19 -4.26 0.04 0.00 2.84 0.00 0.00 34.83 33.63 2vyr s MET 104 CO 0.31 -2.22 0.66 0.00 -0.65 0.00 0.00 175.02 173.13 2vyr n ALA 105 N 9.71 2.56 0.38 4.11 0.00 -1.26 -4.68 120.51 131.32 2vyr n ALA 105 Ca 0.06 -0.49 0.04 0.00 0.00 0.00 0.00 53.44 53.05 2vyr n ALA 105 Cb 0.49 -0.26 0.03 0.00 0.00 0.00 0.00 19.45 19.71 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 0.14 1.57 -3.53 0.00 3.41 -1.26 -3.60 113.62 110.36 2vyr n SER 106 Ca 0.04 -1.28 -0.09 0.00 -0.26 0.00 0.00 58.87 57.27 2vyr n SER 106 Cb 0.18 0.14 -0.03 0.00 -0.26 0.00 0.00 64.21 64.23 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 -0.89 0.75 0.58 4.33 2.20 -1.26 -5.00 119.74 120.45 2vyr s LYS 107 Ca 0.10 -0.15 0.04 0.00 -0.36 0.00 0.00 55.97 55.59 2vyr s LYS 107 Cb 0.07 0.35 0.07 0.00 -1.51 0.00 0.00 37.83 36.81 2vyr s LYS 107 CO 0.14 -0.30 0.81 0.20 -0.36 0.00 0.00 175.35 175.83 2vyr s GLY 108 N -2.05 1.81 0.07 5.54 0.00 -1.26 -5.00 107.32 106.43 2vyr s GLY 108 Ca 0.03 -1.68 -0.10 0.00 0.00 0.00 0.00 44.72 42.97 2vyr s GLY 108 CO -0.05 -1.29 0.22 -1.35 0.00 0.00 0.00 173.10 170.63 2vyr s SER 109 N -4.55 0.04 0.20 1.64 1.04 -1.26 -5.02 113.70 105.78 2vyr s SER 109 Ca 0.60 -0.49 0.20 0.00 0.48 0.00 0.00 55.95 56.74 2vyr s SER 109 Cb -0.08 0.34 0.87 0.00 0.10 0.00 0.00 66.02 67.25 2vyr s SER 109 CO 0.39 -0.68 1.60 -1.84 0.98 0.00 0.00 173.24 173.70 2vyr n GLU 110 N 0.20 0.13 0.00 4.02 0.28 -1.26 -2.20 120.64 121.81 2vyr n GLU 110 Ca -0.17 0.43 0.13 0.00 -0.16 0.00 0.00 57.16 57.39 2vyr n GLU 110 Cb 0.61 -1.78 0.36 0.00 1.43 0.00 0.00 31.44 32.06 2vyr n GLU 110 CO 0.00 0.00 0.00 1.19 -0.16 0.00 0.00 177.13 178.16 2vyr n PHE 111 N -2.04 0.00 -1.92 -1.84 0.99 -1.26 -4.95 117.46 106.44 2vyr n PHE 111 Ca 0.02 0.00 -0.32 0.00 -0.00 0.00 0.00 57.45 57.15 2vyr n PHE 111 Cb 0.17 -0.01 0.02 0.00 -1.00 0.00 0.00 39.48 38.66 2vyr n PHE 111 CO 0.00 0.00 0.00 -0.51 -0.00 0.00 0.00 176.76 176.25 2vyr s ASP 112 N -2.08 5.78 0.05 4.37 -0.00 -0.93 -4.52 116.67 119.33 2vyr s ASP 112 Ca 0.33 1.69 -0.11 0.00 -0.00 0.00 0.00 52.55 54.46 2vyr s ASP 112 Cb 0.20 -2.51 -0.06 0.00 -0.00 0.00 0.00 42.92 40.55 2vyr s ASP 112 CO 0.36 -1.17 0.39 -0.31 -0.00 0.00 0.00 175.17 174.44 2vyr s TYR 113 N -2.72 3.63 0.05 4.23 1.51 -0.70 -4.95 117.35 118.39 2vyr s TYR 113 Ca 0.61 0.85 -0.00 0.00 -1.01 0.00 0.00 57.07 57.51 2vyr s TYR 113 Cb -0.14 -2.19 -0.04 0.00 -0.11 0.00 0.00 41.96 39.48 2vyr s TYR 113 CO 0.43 0.57 -0.04 1.67 -1.11 0.00 0.00 175.55 177.07 2vyr s TRP 114 N -1.28 0.53 0.06 2.71 -2.14 -1.26 -0.46 118.94 117.09 2vyr s TRP 114 Ca 0.29 -0.90 -0.01 0.00 2.66 0.00 0.00 56.10 58.15 2vyr s TRP 114 Cb -0.15 -0.37 0.01 0.00 -3.10 0.00 0.00 33.47 29.87 2vyr s TRP 114 CO 0.16 -0.29 0.07 0.41 -2.66 0.00 0.00 176.95 174.64 2vyr n GLY 115 N 0.49 -1.39 0.09 3.67 0.00 -0.99 -4.83 105.19 102.23 2vyr n GLY 115 Ca -0.16 -1.63 0.13 0.00 0.00 0.00 0.00 46.02 44.36 2vyr n GLY 115 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2vyr n GLN 116 N -1.25 0.24 0.00 1.61 6.02 -1.26 -4.88 117.38 117.85 2vyr n GLN 116 Ca 0.01 0.19 0.00 0.00 -0.01 0.00 0.00 57.00 57.19 2vyr n GLN 116 Cb 0.03 -1.77 0.00 0.00 1.02 0.00 0.00 30.24 29.52 2vyr n GLN 116 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2vyr n GLY 117 N 1.33 0.57 2.88 1.08 0.00 -1.26 -5.02 105.19 104.76 2vyr n GLY 117 Ca 0.06 -1.90 -0.16 0.00 0.00 0.00 0.00 46.02 44.02 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 -1.93 0.26 -0.21 2.61 -1.32 -0.30 -4.68 115.64 110.08 2vyr s THR 118 Ca 0.00 -0.04 -0.25 0.00 -1.21 0.00 0.00 61.69 60.18 2vyr s THR 118 Cb 0.00 -0.29 -0.01 0.00 -1.51 0.00 0.00 72.50 70.69 2vyr s THR 118 CO 0.00 0.13 0.86 -0.22 -2.21 0.00 0.00 174.62 173.17 2vyr s LEU 119 N 0.53 4.13 -0.20 9.08 2.96 -1.26 -1.02 118.68 132.89 2vyr s LEU 119 Ca -0.05 1.14 -0.03 0.00 -0.22 0.00 0.00 54.13 54.97 2vyr s LEU 119 Cb -0.09 -3.25 -0.01 0.00 0.50 0.00 0.00 46.19 43.35 2vyr s LEU 119 CO -0.01 -0.48 -0.07 -0.69 -1.32 0.00 0.00 176.35 173.78 2vyr s VAL 120 N 2.55 3.19 -0.20 1.68 1.01 -0.27 -1.17 120.40 127.20 2vyr s VAL 120 Ca 0.38 -0.57 0.01 0.00 0.00 0.00 0.00 61.98 61.80 2vyr s VAL 120 Cb -0.16 -2.42 0.04 0.00 0.00 0.00 0.00 36.38 33.84 2vyr s VAL 120 CO 0.10 0.45 -0.11 -0.89 0.00 0.00 0.00 175.10 174.65 2vyr s THR 121 N 1.25 1.68 -0.32 3.92 2.01 0.19 -1.57 115.64 122.79 2vyr s THR 121 Ca 0.03 -1.01 -0.05 0.00 0.31 0.00 0.00 61.69 60.96 2vyr s THR 121 Cb -0.14 -1.73 0.03 0.00 0.01 0.00 0.00 72.50 70.67 2vyr s THR 121 CO -0.03 0.19 0.07 -0.69 -0.69 0.00 0.00 174.62 173.47 2vyr s VAL 122 N 1.38 3.63 -0.07 3.82 1.01 -1.26 -0.61 120.40 128.30 2vyr s VAL 122 Ca -0.01 -1.06 -0.29 0.00 0.00 0.00 0.00 61.98 60.61 2vyr s VAL 122 Cb -0.16 -3.00 0.11 0.00 0.00 0.00 0.00 36.38 33.33 2vyr s VAL 122 CO -0.08 -0.08 0.91 -0.94 0.00 0.00 0.00 175.10 174.91 2vyr s SER 123 N 1.39 -0.40 -0.02 3.32 1.04 0.24 -4.51 113.70 114.76 2vyr s SER 123 Ca -0.01 0.23 0.00 0.00 0.48 0.00 0.00 55.95 56.65 2vyr s SER 123 Cb -0.19 0.37 0.03 0.00 0.10 0.00 0.00 66.02 66.33 2vyr s SER 123 CO 0.02 -0.51 1.14 -1.54 0.98 0.00 0.00 173.24 173.33 2vyr n SER 124 N 0.26 3.29 -0.19 7.02 3.41 -1.26 -3.92 113.62 122.22 2vyr n SER 124 Ca -0.10 -2.12 0.02 0.00 -0.26 0.00 0.00 58.87 56.41 2vyr n SER 124 Cb 0.60 -0.58 0.02 0.00 -0.26 0.00 0.00 64.21 63.99 2vyr n SER 124 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88