#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 2.62 -0.04 2.62 1.01 -1.26 -4.01 120.40 121.33 2vyr s VAL 2 Ca 0.00 0.44 0.01 0.00 0.00 0.00 0.00 61.98 62.43 2vyr s VAL 2 Cb 0.00 -3.28 0.02 0.00 0.00 0.00 0.00 36.38 33.12 2vyr s VAL 2 CO 0.00 0.04 -0.02 -1.10 0.00 0.00 0.00 175.10 174.02 2vyr s GLN 3 N 1.08 0.57 -0.11 2.72 -0.21 0.11 -4.98 119.66 118.84 2vyr s GLN 3 Ca 0.70 -0.01 0.01 0.00 0.02 0.00 0.00 55.36 56.08 2vyr s GLN 3 Cb -0.44 -0.69 0.02 0.00 1.00 0.00 0.00 33.01 32.91 2vyr s GLN 3 CO 0.32 -0.12 -0.11 -0.51 -2.12 0.00 0.00 175.29 172.74 2vyr s LEU 4 N 1.05 1.49 -0.29 2.90 1.43 -1.26 -1.22 118.68 122.77 2vyr s LEU 4 Ca -0.09 -0.37 0.03 0.00 -1.03 0.00 0.00 54.13 52.66 2vyr s LEU 4 Cb -0.14 -0.98 0.08 0.00 0.03 0.00 0.00 46.19 45.18 2vyr s LEU 4 CO -0.01 -0.05 -0.03 -0.76 0.23 0.00 0.00 176.35 175.73 2vyr s LEU 5 N 1.36 3.78 0.45 1.79 1.43 -0.56 -4.16 118.68 122.76 2vyr s LEU 5 Ca -0.00 -1.68 -0.12 0.00 -1.03 0.00 0.00 54.13 51.30 2vyr s LEU 5 Cb -0.14 -1.50 -0.07 0.00 0.03 0.00 0.00 46.19 44.52 2vyr s LEU 5 CO -0.06 -0.28 0.84 -1.61 0.23 0.00 0.00 176.35 175.47 2vyr s GLU 6 N 1.09 3.82 0.26 1.70 8.01 -1.26 -1.30 118.70 131.01 2vyr s GLU 6 Ca 0.00 0.62 -0.21 0.00 0.01 0.00 0.00 54.97 55.39 2vyr s GLU 6 Cb -0.19 -2.30 0.04 0.00 -4.31 0.00 0.00 34.13 27.36 2vyr s GLU 6 CO -0.07 -0.13 0.80 -1.54 0.01 0.00 0.00 175.26 174.33 2vyr s SER 7 N -3.18 -0.20 0.00 -0.19 1.04 -0.10 -4.75 113.70 106.32 2vyr s SER 7 Ca 0.54 -0.63 0.00 0.00 0.48 0.00 0.00 55.95 56.34 2vyr s SER 7 Cb -0.10 0.68 0.00 0.00 0.10 0.00 0.00 66.02 66.70 2vyr s SER 7 CO 0.32 -1.28 0.00 0.61 0.98 0.00 0.00 173.24 173.88 2vyr n GLY 8 N -0.48 0.16 3.46 7.32 0.00 -1.26 -1.48 105.19 112.91 2vyr n GLY 8 Ca -0.05 0.00 -0.29 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 -1.78 1.51 0.00 -0.02 0.00 -1.26 -4.62 107.32 101.15 2vyr s GLY 9 Ca 0.00 -0.43 0.00 0.00 0.00 0.00 0.00 44.72 44.29 2vyr s GLY 9 CO 0.00 0.38 0.00 0.61 0.00 0.00 0.00 173.10 174.09 2vyr n GLY 10 N 0.61 -0.39 3.57 0.20 0.00 -0.28 -4.94 105.19 103.97 2vyr n GLY 10 Ca 0.06 -1.19 -0.34 0.00 0.00 0.00 0.00 46.02 44.55 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 3.26 0.08 0.99 0.20 -1.26 -0.58 118.68 121.36 2vyr s LEU 11 Ca 0.00 -0.03 -0.12 0.00 0.69 0.00 0.00 54.13 54.67 2vyr s LEU 11 Cb 0.00 -1.74 0.01 0.00 -0.43 0.00 0.00 46.19 44.04 2vyr s LEU 11 CO 0.00 0.31 0.28 0.54 -0.29 0.00 0.00 176.35 177.18 2vyr s VAL 12 N -0.46 0.10 0.31 1.68 0.11 -0.24 -4.98 120.40 116.93 2vyr s VAL 12 Ca 0.07 -0.85 -0.12 0.00 -2.93 0.00 0.00 61.98 58.16 2vyr s VAL 12 Cb -0.12 -1.13 -0.08 0.00 -1.53 0.00 0.00 36.38 33.52 2vyr s VAL 12 CO 0.02 -0.47 0.68 -1.10 -3.33 0.00 0.00 175.10 170.90 2vyr s GLN 13 N -3.31 3.87 0.22 1.54 -0.21 -1.26 -1.61 119.66 118.90 2vyr s GLN 13 Ca 0.00 0.46 -0.29 0.00 0.02 0.00 0.00 55.36 55.56 2vyr s GLN 13 Cb 0.02 -2.50 -0.16 0.00 1.00 0.00 0.00 33.01 31.37 2vyr s GLN 13 CO -0.08 0.17 0.77 -2.30 -2.12 0.00 0.00 175.29 171.73 2vyr n PRO 14 N -0.54 0.57 -0.16 2.91 -0.02 -1.26 -0.32 135.00 136.18 2vyr n PRO 14 Ca 0.02 0.20 0.00 0.00 -2.02 0.00 0.00 63.50 61.70 2vyr n PRO 14 Cb 0.53 -1.40 0.00 0.00 -0.02 0.00 0.00 33.50 32.62 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 1.71 1.56 3.12 -1.23 0.00 0.93 -4.94 105.19 106.33 2vyr n GLY 15 Ca 0.15 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.94 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 -1.12 3.01 -0.02 0.00 0.57 -4.21 105.19 101.42 2vyr n GLY 16 Ca 0.00 -1.75 -0.09 0.00 0.00 0.00 0.00 46.02 44.18 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 -4.83 0.34 -0.02 1.61 1.04 -1.26 -1.72 113.70 108.86 2vyr s SER 17 Ca 0.60 -0.63 -0.06 0.00 0.48 0.00 0.00 55.95 56.34 2vyr s SER 17 Cb -0.02 0.12 0.00 0.00 0.10 0.00 0.00 66.02 66.23 2vyr s SER 17 CO 0.42 -0.37 0.13 -0.76 0.98 0.00 0.00 173.24 173.64 2vyr s LEU 18 N -1.83 1.56 -0.22 2.42 1.43 -0.61 -5.02 118.68 116.42 2vyr s LEU 18 Ca -0.10 -0.06 -0.04 0.00 -1.03 0.00 0.00 54.13 52.91 2vyr s LEU 18 Cb -0.06 0.58 -0.01 0.00 0.03 0.00 0.00 46.19 46.73 2vyr s LEU 18 CO -0.03 -0.26 -0.05 -0.60 0.23 0.00 0.00 176.35 175.64 2vyr s ARG 19 N -0.89 3.36 0.04 1.70 3.52 -1.26 -0.91 118.95 124.51 2vyr s ARG 19 Ca -0.10 -0.63 -0.07 0.00 -0.13 0.00 0.00 55.73 54.80 2vyr s ARG 19 Cb -0.06 -2.99 -0.05 0.00 -1.56 0.00 0.00 34.95 30.29 2vyr s ARG 19 CO 0.01 -0.20 0.30 -0.51 -0.81 0.00 0.00 175.30 174.09 2vyr s LEU 20 N 1.47 4.36 0.21 -0.88 1.43 -0.14 -4.55 118.68 120.58 2vyr s LEU 20 Ca 0.06 0.59 0.06 0.00 -1.03 0.00 0.00 54.13 53.80 2vyr s LEU 20 Cb -0.14 -2.80 -0.05 0.00 0.03 0.00 0.00 46.19 43.23 2vyr s LEU 20 CO -0.04 0.22 -0.09 -0.94 0.23 0.00 0.00 176.35 175.73 2vyr s SER 21 N -1.82 2.29 -0.15 2.29 1.04 -0.55 -0.57 113.70 116.24 2vyr s SER 21 Ca 0.30 -1.09 -0.04 0.00 0.48 0.00 0.00 55.95 55.60 2vyr s SER 21 Cb -0.13 -0.09 0.06 0.00 0.10 0.00 0.00 66.02 65.97 2vyr s SER 21 CO 0.18 -0.30 0.15 0.00 0.98 0.00 0.00 173.24 174.25 2vyr s ALA 23 N 2.25 3.55 -0.07 0.00 0.00 -0.42 -1.02 121.76 126.04 2vyr s ALA 23 Ca 0.04 -0.56 -0.02 0.00 0.00 0.00 0.00 51.96 51.42 2vyr s ALA 23 Cb -0.14 -3.12 -0.04 0.00 0.00 0.00 0.00 23.12 19.82 2vyr s ALA 23 CO -0.09 -1.04 0.04 0.00 0.00 0.00 0.00 175.76 174.68 2vyr s ALA 24 N 2.65 3.46 0.17 0.00 0.00 -0.44 -1.50 121.76 126.09 2vyr s ALA 24 Ca 0.27 -0.80 -0.21 0.00 0.00 0.00 0.00 51.96 51.22 2vyr s ALA 24 Cb -0.15 -1.58 0.05 0.00 0.00 0.00 0.00 23.12 21.44 2vyr s ALA 24 CO 0.11 0.62 0.56 -1.54 0.00 0.00 0.00 175.76 175.52 2vyr s SER 25 N -1.14 -0.44 0.00 0.00 1.04 -0.36 -4.85 113.70 107.95 2vyr s SER 25 Ca 0.16 -0.17 0.00 0.00 0.48 0.00 0.00 55.95 56.42 2vyr s SER 25 Cb -0.12 0.59 0.00 0.00 0.10 0.00 0.00 66.02 66.59 2vyr s SER 25 CO 0.06 -0.99 0.00 0.61 0.98 0.00 0.00 173.24 173.89 2vyr n GLY 26 N -0.35 0.75 3.67 7.32 0.00 -1.26 0.07 105.19 115.39 2vyr n GLY 26 Ca -0.15 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.78 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 -2.15 -0.21 -1.01 1.61 -0.12 -1.26 -4.07 117.98 110.76 2vyr s PHE 27 Ca 0.00 -0.16 -0.23 0.00 -0.05 0.00 0.00 56.93 56.49 2vyr s PHE 27 Cb 0.00 0.57 0.03 0.00 -0.63 0.00 0.00 43.02 43.00 2vyr s PHE 27 CO 0.00 -1.07 1.57 0.99 -0.05 0.00 0.00 175.22 176.65 2vyr s THR 28 N -3.88 3.83 0.21 -4.49 2.01 -1.26 -4.86 115.64 107.20 2vyr s THR 28 Ca 0.09 -0.74 -0.11 0.00 0.31 0.00 0.00 61.69 61.25 2vyr s THR 28 Cb -0.03 -4.86 0.17 0.00 0.01 0.00 0.00 72.50 67.79 2vyr s THR 28 CO 0.01 -1.74 1.68 0.15 -0.69 0.00 0.00 174.62 174.03 2vyr h PHE 29 N 9.98 0.06 0.00 4.92 3.57 -1.95 -1.53 116.94 132.00 2vyr h PHE 29 Ca 0.19 0.04 0.00 0.00 3.53 0.00 0.00 57.97 61.73 2vyr h PHE 29 Cb 1.00 0.06 0.00 0.00 2.79 0.00 0.00 35.95 39.81 2vyr h PHE 29 CO 1.27 -0.10 0.00 -0.85 -2.23 0.00 0.00 178.31 176.40 2vyr n GLU 30 N -5.21 0.38 0.01 1.11 0.00 -1.26 -1.46 120.64 114.21 2vyr n GLU 30 Ca 0.08 0.07 0.12 0.00 0.00 0.00 0.00 57.16 57.44 2vyr n GLU 30 Cb 0.33 -1.50 0.28 0.00 0.00 0.00 0.00 31.44 30.55 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 -1.20 0.05 -5.07 3.44 1.02 -0.58 -4.63 120.64 113.67 2vyr n GLU 31 Ca 0.11 0.01 -0.32 0.00 -0.02 0.00 0.00 57.16 56.94 2vyr n GLU 31 Cb 0.13 -1.53 -0.15 0.00 -0.02 0.00 0.00 31.44 29.86 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 -3.03 2.59 0.76 -0.32 1.51 -0.53 -4.83 117.35 113.50 2vyr s TYR 32 Ca 0.11 -0.63 -0.15 0.00 -1.01 0.00 0.00 57.07 55.38 2vyr s TYR 32 Cb 0.17 -1.68 0.03 0.00 -0.11 0.00 0.00 41.96 40.38 2vyr s TYR 32 CO 0.68 -0.16 1.04 0.00 -1.11 0.00 0.00 175.55 176.00 2vyr n ALA 33 N 3.03 -0.22 -2.71 3.71 0.00 -0.07 -3.78 120.51 120.47 2vyr n ALA 33 Ca -0.18 -0.25 -0.09 0.00 0.00 0.00 0.00 53.44 52.92 2vyr n ALA 33 Cb 0.52 -2.16 -0.11 0.00 0.00 0.00 0.00 19.45 17.71 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 -3.63 0.42 0.15 0.00 -1.94 -0.67 -4.39 119.30 109.24 2vyr s MET 34 Ca 0.73 -0.79 0.07 0.00 -1.71 0.00 0.00 55.69 53.99 2vyr s MET 34 Cb -0.32 0.15 -0.04 0.00 2.01 0.00 0.00 34.83 36.63 2vyr s MET 34 CO 0.51 -0.08 -0.16 -0.51 -0.01 0.00 0.00 175.02 174.77 2vyr s LEU 35 N -1.93 2.44 -0.09 -0.03 1.43 -0.55 -1.87 118.68 118.08 2vyr s LEU 35 Ca -0.08 -0.86 0.01 0.00 -1.03 0.00 0.00 54.13 52.16 2vyr s LEU 35 Cb -0.04 -0.70 -0.02 0.00 0.03 0.00 0.00 46.19 45.46 2vyr s LEU 35 CO -0.04 -0.10 -0.11 0.26 0.23 0.00 0.00 176.35 176.60 2vyr s TRP 36 N -2.19 2.83 0.14 0.29 0.52 -0.38 -0.45 118.94 119.70 2vyr s TRP 36 Ca 0.14 -0.28 0.03 0.00 0.02 0.00 0.00 56.10 56.00 2vyr s TRP 36 Cb -0.05 -1.76 -0.04 0.00 -1.15 0.00 0.00 33.47 30.47 2vyr s TRP 36 CO 0.05 0.07 -0.06 0.14 0.02 0.00 0.00 176.95 177.17 2vyr s VAL 37 N -0.28 0.87 0.05 4.03 -7.23 -0.15 -0.81 120.40 116.88 2vyr s VAL 37 Ca 0.03 -1.99 -0.02 0.00 -1.81 0.00 0.00 61.98 58.18 2vyr s VAL 37 Cb -0.13 -1.86 -0.03 0.00 0.56 0.00 0.00 36.38 34.92 2vyr s VAL 37 CO 0.03 -0.72 0.01 0.00 -0.31 0.00 0.00 175.10 174.10 2vyr s ARG 38 N -3.82 0.58 -0.18 4.82 1.70 0.60 -0.15 118.95 122.49 2vyr s ARG 38 Ca 0.17 -1.04 -0.00 0.00 -0.47 0.00 0.00 55.73 54.39 2vyr s ARG 38 Cb 0.05 0.21 0.04 0.00 -0.57 0.00 0.00 34.95 34.68 2vyr s ARG 38 CO -0.01 -0.12 -0.06 -1.14 -1.08 0.00 0.00 175.30 172.89 2vyr s GLN 39 N -3.36 1.60 0.39 3.89 0.74 -0.28 0.62 119.66 123.26 2vyr s GLN 39 Ca 0.02 -0.66 -0.05 0.00 0.05 0.00 0.00 55.36 54.72 2vyr s GLN 39 Cb 0.04 -2.19 -0.04 0.00 1.10 0.00 0.00 33.01 31.91 2vyr s GLN 39 CO -0.08 -0.46 0.67 0.00 -0.55 0.00 0.00 175.29 174.88 2vyr s ALA 40 N 1.55 3.51 -0.00 1.58 0.00 -1.26 -1.40 121.76 125.74 2vyr s ALA 40 Ca -0.01 -0.56 -0.34 0.00 0.00 0.00 0.00 51.96 51.05 2vyr s ALA 40 Cb -0.16 -2.43 -0.13 0.00 0.00 0.00 0.00 23.12 20.41 2vyr s ALA 40 CO -0.08 -0.07 1.77 -2.30 0.00 0.00 0.00 175.76 175.08 2vyr n PRO 41 N -1.66 2.15 0.00 0.00 -0.02 -1.26 -1.11 135.00 133.09 2vyr n PRO 41 Ca -0.01 0.78 0.00 0.00 -2.02 0.00 0.00 63.50 62.26 2vyr n PRO 41 Cb 0.55 -2.60 0.00 0.00 -0.02 0.00 0.00 33.50 31.43 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 4.04 2.59 3.94 -1.23 0.00 -1.26 -5.01 105.19 108.25 2vyr n GLY 42 Ca 0.21 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 46.03 2vyr n GLY 42 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2vyr s LYS 43 N -0.22 3.01 0.70 1.61 1.02 -0.27 -5.11 119.74 120.48 2vyr s LYS 43 Ca 0.00 -1.09 -0.10 0.00 0.02 0.00 0.00 55.97 54.81 2vyr s LYS 43 Cb 0.00 -2.70 0.04 0.00 -0.52 0.00 0.00 37.83 34.64 2vyr s LYS 43 CO 0.00 0.11 1.06 0.20 -0.92 0.00 0.00 175.35 175.80 2vyr s GLY 44 N -4.09 1.62 0.34 -3.33 0.00 -1.26 -4.50 107.32 96.11 2vyr s GLY 44 Ca 0.42 -0.59 -0.27 0.00 0.00 0.00 0.00 44.72 44.29 2vyr s GLY 44 CO 0.29 -0.20 1.08 1.04 0.00 0.00 0.00 173.10 175.31 2vyr n LEU 45 N -2.97 2.48 -3.98 0.66 4.77 -1.26 -4.54 117.00 112.16 2vyr n LEU 45 Ca 0.07 1.15 -0.28 0.00 -0.03 0.00 0.00 56.01 56.92 2vyr n LEU 45 Cb 0.59 -1.36 -0.17 0.00 -2.33 0.00 0.00 43.42 40.15 2vyr n LEU 45 CO 0.55 -1.17 -0.47 -0.70 -1.33 0.00 0.00 177.39 174.27 2vyr s GLU 46 N -1.76 1.90 0.31 3.23 2.12 0.20 -4.95 118.70 119.75 2vyr s GLU 46 Ca 0.59 -0.42 -0.29 0.00 0.36 0.00 0.00 54.97 55.21 2vyr s GLU 46 Cb -0.63 -1.77 -0.11 0.00 0.26 0.00 0.00 34.13 31.88 2vyr s GLU 46 CO 0.60 -0.19 1.47 -0.46 -0.54 0.00 0.00 175.26 176.14 2vyr s TRP 47 N 1.39 2.84 -0.10 5.30 -0.00 -1.26 -0.29 118.94 126.82 2vyr s TRP 47 Ca 0.01 1.07 -0.05 0.00 -0.00 0.00 0.00 56.10 57.13 2vyr s TRP 47 Cb -0.13 -3.91 -0.04 0.00 -0.00 0.00 0.00 33.47 29.38 2vyr s TRP 47 CO -0.06 -2.84 -0.12 0.28 -0.00 0.00 0.00 176.95 174.20 2vyr n VAL 48 N 1.51 0.52 -3.54 5.86 0.31 0.01 -4.65 118.33 118.36 2vyr n VAL 48 Ca 0.04 -0.14 -0.10 0.00 -0.01 0.00 0.00 64.34 64.14 2vyr n VAL 48 Cb 0.39 -1.60 -0.02 0.00 -0.91 0.00 0.00 33.84 31.71 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 -5.82 -0.45 0.15 4.52 0.15 -0.95 -1.48 113.70 109.83 2vyr s SER 49 Ca -0.13 -0.14 -0.14 0.00 0.70 0.00 0.00 55.95 56.23 2vyr s SER 49 Cb 0.05 0.58 0.02 0.00 -1.71 0.00 0.00 66.02 64.96 2vyr s SER 49 CO 0.17 -0.98 0.39 -0.83 1.20 0.00 0.00 173.24 173.19 2vyr s GLY 50 N -2.75 0.01 -0.15 9.45 0.00 -0.56 -1.25 107.32 112.08 2vyr s GLY 50 Ca 0.04 -0.37 -0.13 0.00 0.00 0.00 0.00 44.72 44.25 2vyr s GLY 50 CO -0.08 -0.48 0.40 -1.50 0.00 0.00 0.00 173.10 171.45 2vyr s ILE 51 N -3.87 -0.00 0.89 0.90 2.07 -0.78 -0.37 121.20 120.03 2vyr s ILE 51 Ca 0.09 0.01 -0.11 0.00 -1.41 0.00 0.00 60.65 59.22 2vyr s ILE 51 Cb 0.02 -0.57 0.13 0.00 0.13 0.00 0.00 42.46 42.17 2vyr s ILE 51 CO -0.06 0.00 1.09 0.54 -1.91 0.00 0.00 174.94 174.61 2vyr s ASN 52 N 0.35 3.47 0.28 4.50 4.22 -0.55 -1.68 114.94 125.53 2vyr s ASN 52 Ca -0.01 1.57 0.02 0.00 -2.14 0.00 0.00 52.86 52.31 2vyr s ASN 52 Cb -0.03 -2.24 0.66 0.00 1.28 0.00 0.00 41.25 40.91 2vyr s ASN 52 CO -0.01 -2.65 1.73 0.00 -2.04 0.00 0.00 177.10 174.13 2vyr h ALA 53 N -1.56 1.42 0.00 3.54 0.00 -1.87 -1.52 119.26 119.27 2vyr h ALA 53 Ca -0.49 0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.54 2vyr h ALA 53 Cb 1.28 0.05 0.00 0.00 0.00 0.00 0.00 17.79 19.12 2vyr h ALA 53 CO 0.53 -0.21 0.00 0.00 0.00 0.00 0.00 179.25 179.57 2vyr h ARG 54 N 0.54 0.00 0.00 0.00 2.47 -1.89 -3.46 114.38 112.04 2vyr h ARG 54 Ca 0.53 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 59.25 2vyr h ARG 54 Cb 0.89 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 29.21 2vyr h ARG 54 CO -0.44 0.00 0.00 0.41 0.56 0.00 0.00 179.97 180.50 2vyr n GLY 55 N 0.99 0.81 0.01 0.04 0.00 -0.57 -4.94 105.19 101.52 2vyr n GLY 55 Ca 0.04 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.15 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 -2.27 0.00 -4.45 1.61 0.18 -1.26 -4.79 117.16 106.18 2vyr n TYR 56 Ca 0.00 0.00 -0.34 0.00 1.88 0.00 0.00 57.90 59.44 2vyr n TYR 56 Cb 0.00 -0.33 -0.12 0.00 -0.38 0.00 0.00 39.34 38.51 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 -3.12 3.83 0.10 -3.48 2.01 -1.26 -5.03 115.64 108.69 2vyr s THR 57 Ca -0.04 -0.39 0.05 0.00 0.31 0.00 0.00 61.69 61.62 2vyr s THR 57 Cb 0.12 -2.66 -0.04 0.00 0.01 0.00 0.00 72.50 69.93 2vyr s THR 57 CO 0.74 0.51 -0.13 0.42 -0.69 0.00 0.00 174.62 175.47 2vyr s THR 58 N 0.18 1.16 0.06 -0.82 -4.23 -1.26 -1.48 115.64 109.25 2vyr s THR 58 Ca -0.02 -1.61 0.02 0.00 -1.18 0.00 0.00 61.69 58.90 2vyr s THR 58 Cb -0.14 -1.38 -0.03 0.00 1.34 0.00 0.00 72.50 72.29 2vyr s THR 58 CO 0.03 -0.42 -0.08 -0.31 -0.54 0.00 0.00 174.62 173.30 2vyr s TYR 59 N -2.06 0.75 -0.02 3.99 1.51 0.50 -4.98 117.35 117.04 2vyr s TYR 59 Ca 0.06 -0.60 -0.09 0.00 -1.01 0.00 0.00 57.07 55.42 2vyr s TYR 59 Cb -0.05 -0.44 0.01 0.00 -0.11 0.00 0.00 41.96 41.36 2vyr s TYR 59 CO 0.02 -0.09 0.20 0.71 -1.11 0.00 0.00 175.55 175.27 2vyr s TYR 60 N -1.94 -0.08 0.49 2.71 1.51 -1.26 -1.49 117.35 117.29 2vyr s TYR 60 Ca -0.04 0.13 -0.20 0.00 -1.01 0.00 0.00 57.07 55.94 2vyr s TYR 60 Cb -0.06 0.02 -0.08 0.00 -0.11 0.00 0.00 41.96 41.73 2vyr s TYR 60 CO -0.01 -0.27 1.07 0.00 -1.11 0.00 0.00 175.55 175.23 2vyr s ALA 61 N -1.03 2.85 0.43 3.71 0.00 -0.55 -4.88 121.76 122.30 2vyr s ALA 61 Ca -0.11 0.68 0.16 0.00 0.00 0.00 0.00 51.96 52.69 2vyr s ALA 61 Cb -0.06 -3.29 1.06 0.00 0.00 0.00 0.00 23.12 20.83 2vyr s ALA 61 CO 0.02 -0.43 1.93 -0.44 0.00 0.00 0.00 175.76 176.84 2vyr h ASP 62 N 1.57 0.38 0.19 0.00 3.32 -1.95 -1.70 116.42 118.23 2vyr h ASP 62 Ca -0.50 0.02 -0.01 0.00 0.02 0.00 0.00 57.03 56.56 2vyr h ASP 62 Cb 1.23 -0.06 -0.00 0.00 0.22 0.00 0.00 39.33 40.72 2vyr h ASP 62 CO 0.59 0.20 -0.07 0.77 -1.72 0.00 0.00 179.24 179.01 2vyr h SER 63 N 0.40 0.00 0.00 6.45 4.64 -1.96 -3.11 113.55 119.98 2vyr h SER 63 Ca 0.35 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.67 2vyr h SER 63 Cb 0.80 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.89 2vyr h SER 63 CO -0.11 0.07 0.00 1.33 -0.87 0.00 0.00 176.83 177.25 2vyr n VAL 64 N -3.77 0.00 -1.64 0.95 0.24 -0.84 -5.02 118.33 108.26 2vyr n VAL 64 Ca -0.02 -0.48 -0.53 0.00 -2.04 0.00 0.00 64.34 61.26 2vyr n VAL 64 Cb 0.17 1.02 -0.06 0.00 -1.47 0.00 0.00 33.84 33.50 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 -0.30 1.25 0.00 7.34 4.81 -0.70 -1.09 118.16 129.46 2vyr n LYS 65 Ca 0.00 0.45 0.00 0.00 -0.87 0.00 0.00 58.31 57.89 2vyr n LYS 65 Cb 0.01 -2.12 0.00 0.00 0.02 0.00 0.00 35.03 32.93 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 3.16 2.00 0.04 3.14 0.00 -1.26 -4.79 105.19 107.48 2vyr n GLY 66 Ca 0.21 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 2.15 -4.03 1.61 1.74 -0.25 -5.02 116.66 110.86 2vyr n ARG 67 Ca 0.00 0.01 -0.31 0.00 -0.77 0.00 0.00 57.85 56.78 2vyr n ARG 67 Cb 0.00 -1.21 -0.06 0.00 -1.02 0.00 0.00 32.46 30.17 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 -2.20 3.23 -0.08 -1.55 0.40 -0.84 -1.30 117.98 115.65 2vyr s PHE 68 Ca -0.06 0.10 -0.02 0.00 -0.60 0.00 0.00 56.93 56.35 2vyr s PHE 68 Cb 0.03 -1.64 0.03 0.00 0.51 0.00 0.00 43.02 41.95 2vyr s PHE 68 CO 0.31 0.53 0.01 0.99 0.70 0.00 0.00 175.22 177.76 2vyr s THR 69 N -1.40 0.35 0.07 0.64 2.01 0.53 -4.92 115.64 112.92 2vyr s THR 69 Ca 0.30 0.08 -0.11 0.00 0.31 0.00 0.00 61.69 62.26 2vyr s THR 69 Cb -0.12 -0.55 -0.06 0.00 0.01 0.00 0.00 72.50 71.78 2vyr s THR 69 CO 0.23 0.20 0.42 -0.51 -0.69 0.00 0.00 174.62 174.27 2vyr s ILE 70 N 1.98 5.05 0.26 1.82 2.07 -1.26 -0.20 121.20 130.92 2vyr s ILE 70 Ca 0.04 0.59 -0.14 0.00 -1.41 0.00 0.00 60.65 59.73 2vyr s ILE 70 Cb -0.13 -3.67 0.00 0.00 0.13 0.00 0.00 42.46 38.79 2vyr s ILE 70 CO -0.05 0.34 0.53 -0.94 -1.91 0.00 0.00 174.94 172.91 2vyr s SER 71 N -1.61 -0.11 0.06 4.50 1.04 -0.84 -4.99 113.70 111.75 2vyr s SER 71 Ca 0.32 -0.87 -0.11 0.00 0.48 0.00 0.00 55.95 55.77 2vyr s SER 71 Cb -0.15 0.62 0.01 0.00 0.10 0.00 0.00 66.02 66.60 2vyr s SER 71 CO 0.17 -1.19 0.24 0.00 0.98 0.00 0.00 173.24 173.43 2vyr s ARG 72 N -3.97 0.79 -0.35 4.02 1.70 -1.26 -0.54 118.95 119.34 2vyr s ARG 72 Ca 0.20 -0.69 0.01 0.00 -0.47 0.00 0.00 55.73 54.78 2vyr s ARG 72 Cb -0.02 0.33 0.11 0.00 -0.57 0.00 0.00 34.95 34.80 2vyr s ARG 72 CO 0.09 -0.25 0.13 0.34 -1.08 0.00 0.00 175.30 174.53 2vyr s ASP 73 N -2.34 4.01 0.53 -2.89 3.68 -0.22 -4.99 116.67 114.44 2vyr s ASP 73 Ca -0.02 -2.00 0.28 0.00 2.13 0.00 0.00 52.55 52.94 2vyr s ASP 73 Cb 0.01 -1.01 1.46 0.00 -1.45 0.00 0.00 42.92 41.93 2vyr s ASP 73 CO -0.06 -0.37 2.07 0.78 0.13 0.00 0.00 175.17 177.72 2vyr h ASN 74 N 7.62 0.00 0.15 -0.34 2.35 -1.94 -0.02 115.58 123.40 2vyr h ASN 74 Ca -0.09 0.00 -0.07 0.00 -0.55 0.00 0.00 56.30 55.59 2vyr h ASN 74 Cb 0.99 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 39.35 2vyr h ASN 74 CO 0.48 0.11 -0.26 0.77 -1.65 0.00 0.00 177.43 176.89 2vyr h SER 75 N 0.00 0.19 -0.31 5.81 4.64 -1.95 -2.67 113.55 119.26 2vyr h SER 75 Ca -0.00 -0.05 0.00 0.00 -0.47 0.00 0.00 61.79 61.26 2vyr h SER 75 Cb 0.35 -0.05 0.00 0.00 -0.31 0.00 0.00 62.40 62.38 2vyr h SER 75 CO 0.01 0.45 0.00 0.29 -0.87 0.00 0.00 176.83 176.72 2vyr n LYS 76 N -4.17 2.22 -4.20 4.77 5.02 -0.48 -4.97 118.16 116.34 2vyr n LYS 76 Ca -0.01 -2.05 -0.29 0.00 -2.02 0.00 0.00 58.31 53.94 2vyr n LYS 76 Cb 0.35 -1.42 -0.07 0.00 -0.02 0.00 0.00 35.03 33.87 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 1.17 0.44 -4.12 4.39 5.03 -0.14 -4.80 115.26 117.23 2vyr n ASN 77 Ca 0.16 -1.19 -0.22 0.00 0.87 0.00 0.00 54.58 54.20 2vyr n ASN 77 Cb 0.52 -2.08 -0.15 0.00 -1.02 0.00 0.00 39.78 37.05 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 -4.21 1.14 -0.01 3.41 2.01 -0.95 -1.32 115.64 115.70 2vyr s THR 78 Ca 0.03 -0.69 0.04 0.00 0.31 0.00 0.00 61.69 61.37 2vyr s THR 78 Cb -0.02 -0.97 -0.03 0.00 0.01 0.00 0.00 72.50 71.50 2vyr s THR 78 CO 0.96 0.26 -0.11 -0.22 -0.69 0.00 0.00 174.62 174.82 2vyr s LEU 79 N -0.49 2.93 0.13 4.42 2.96 -0.19 -1.06 118.68 127.38 2vyr s LEU 79 Ca 0.05 -0.20 0.08 0.00 -0.22 0.00 0.00 54.13 53.84 2vyr s LEU 79 Cb -0.06 -1.66 -0.04 0.00 0.50 0.00 0.00 46.19 44.93 2vyr s LEU 79 CO -0.00 0.31 -0.20 -0.31 -1.32 0.00 0.00 176.35 174.83 2vyr s TYR 80 N -0.88 1.81 -0.21 5.38 1.51 0.30 -0.22 117.35 125.04 2vyr s TYR 80 Ca 0.14 -0.44 -0.02 0.00 -1.01 0.00 0.00 57.07 55.74 2vyr s TYR 80 Cb -0.11 -0.95 0.06 0.00 -0.11 0.00 0.00 41.96 40.86 2vyr s TYR 80 CO 0.04 0.27 0.03 -1.17 -1.11 0.00 0.00 175.55 173.61 2vyr s LEU 81 N -2.30 1.46 -0.33 -1.29 2.96 0.26 -1.98 118.68 117.47 2vyr s LEU 81 Ca 0.11 -0.94 -0.21 0.00 -0.22 0.00 0.00 54.13 52.87 2vyr s LEU 81 Cb -0.08 -0.70 -0.00 0.00 0.50 0.00 0.00 46.19 45.91 2vyr s LEU 81 CO 0.05 -0.31 0.69 -1.58 -1.32 0.00 0.00 176.35 173.89 2vyr s GLN 82 N 1.77 3.84 -0.29 1.98 2.00 0.72 -0.97 119.66 128.72 2vyr s GLN 82 Ca -0.01 0.31 -0.06 0.00 -2.00 0.00 0.00 55.36 53.60 2vyr s GLN 82 Cb -0.17 -3.76 0.01 0.00 0.80 0.00 0.00 33.01 29.89 2vyr s GLN 82 CO -0.09 -0.68 0.06 -1.64 -0.50 0.00 0.00 175.29 172.44 2vyr s MET 83 N 2.79 3.01 0.41 1.67 -1.94 -0.08 -0.35 119.30 124.80 2vyr s MET 83 Ca 0.28 -0.90 0.08 0.00 -1.71 0.00 0.00 55.69 53.43 2vyr s MET 83 Cb -0.14 -3.31 -0.04 0.00 2.01 0.00 0.00 34.83 33.35 2vyr s MET 83 CO 0.13 -0.45 0.23 -0.80 -0.01 0.00 0.00 175.02 174.12 2vyr s ASN 84 N 1.46 4.63 -1.55 3.03 0.01 -0.42 -1.57 114.94 120.53 2vyr s ASN 84 Ca 0.02 -0.95 -0.05 0.00 -0.71 0.00 0.00 52.86 51.16 2vyr s ASN 84 Cb -0.17 -0.53 0.05 0.00 0.41 0.00 0.00 41.25 41.00 2vyr s ASN 84 CO 0.01 -0.55 0.35 -1.20 -1.51 0.00 0.00 177.10 174.21 2vyr n SER 85 N -1.31 -0.52 -4.76 -1.22 7.64 -1.16 -4.68 113.62 107.61 2vyr n SER 85 Ca 0.00 -1.12 -0.39 0.00 1.01 0.00 0.00 58.87 58.37 2vyr n SER 85 Cb 0.63 -2.37 0.01 0.00 -1.01 0.00 0.00 64.21 61.48 2vyr n SER 85 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 2vyr s LEU 86 N -7.19 4.08 0.27 -3.43 1.43 -0.70 -4.65 118.68 108.50 2vyr s LEU 86 Ca 0.20 2.65 0.09 0.00 -1.03 0.00 0.00 54.13 56.05 2vyr s LEU 86 Cb -0.11 -4.05 -0.05 0.00 0.03 0.00 0.00 46.19 42.00 2vyr s LEU 86 CO 0.95 -1.07 -0.14 -0.13 0.23 0.00 0.00 176.35 176.19 2vyr s ARG 87 N -2.50 1.58 0.27 1.70 0.52 -1.26 -0.05 118.95 119.21 2vyr s ARG 87 Ca 0.62 -1.75 0.00 0.00 -0.52 0.00 0.00 55.73 54.07 2vyr s ARG 87 Cb -0.38 -1.45 0.58 0.00 0.52 0.00 0.00 34.95 34.22 2vyr s ARG 87 CO 0.47 0.20 1.74 1.15 0.02 0.00 0.00 175.30 178.88 2vyr h THR 88 N 2.31 0.66 0.00 0.02 2.02 -1.96 -1.40 112.91 114.55 2vyr h THR 88 Ca -0.40 -0.19 0.00 0.00 0.77 0.00 0.00 66.41 66.59 2vyr h THR 88 Cb 1.24 0.06 0.00 0.00 -1.74 0.00 0.00 68.15 67.71 2vyr h THR 88 CO 0.64 0.10 0.00 -0.33 0.37 0.00 0.00 175.52 176.30 2vyr h GLU 89 N 0.56 0.00 0.00 6.66 3.07 -1.96 -1.96 114.58 120.94 2vyr h GLU 89 Ca 0.48 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.34 2vyr h GLU 89 Cb 0.75 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.66 2vyr h GLU 89 CO -0.41 0.00 0.00 -0.25 -1.40 0.00 0.00 179.01 176.95 2vyr n ASP 90 N -2.78 0.00 -4.70 1.42 10.43 -0.53 -4.81 116.55 115.58 2vyr n ASP 90 Ca -0.01 -0.99 -0.42 0.00 2.57 0.00 0.00 54.79 55.94 2vyr n ASP 90 Cb 0.12 0.00 -0.03 0.00 1.84 0.00 0.00 41.12 43.05 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 -2.00 2.78 -0.13 -3.53 2.01 -0.74 -4.89 115.64 109.14 2vyr s THR 91 Ca 0.47 0.35 -0.34 0.00 0.31 0.00 0.00 61.69 62.49 2vyr s THR 91 Cb 0.22 -3.22 0.14 0.00 0.01 0.00 0.00 72.50 69.65 2vyr s THR 91 CO 0.37 0.01 1.37 0.00 -0.69 0.00 0.00 174.62 175.68 2vyr s ALA 92 N 2.30 -2.35 -0.18 7.40 0.00 -0.86 -4.41 121.76 123.66 2vyr s ALA 92 Ca 0.75 1.16 -0.20 0.00 0.00 0.00 0.00 51.96 53.68 2vyr s ALA 92 Cb -0.43 0.09 -0.03 0.00 0.00 0.00 0.00 23.12 22.75 2vyr s ALA 92 CO 0.33 -0.91 0.56 0.08 0.00 0.00 0.00 175.76 175.82 2vyr s VAL 93 N -2.15 5.09 -0.15 0.00 1.01 -0.49 -0.94 120.40 122.77 2vyr s VAL 93 Ca 0.14 1.07 -0.07 0.00 0.00 0.00 0.00 61.98 63.11 2vyr s VAL 93 Cb 0.04 -3.89 -0.04 0.00 0.00 0.00 0.00 36.38 32.50 2vyr s VAL 93 CO -0.05 0.19 0.12 -0.31 0.00 0.00 0.00 175.10 175.04 2vyr s TYR 94 N 1.49 3.48 -0.01 5.22 1.51 -0.09 -1.12 117.35 127.83 2vyr s TYR 94 Ca 0.27 0.40 0.06 0.00 -1.01 0.00 0.00 57.07 56.79 2vyr s TYR 94 Cb -0.16 -2.00 -0.02 0.00 -0.11 0.00 0.00 41.96 39.67 2vyr s TYR 94 CO 0.11 0.53 -0.19 0.71 -1.11 0.00 0.00 175.55 175.60 2vyr s TYR 95 N -0.48 1.66 0.05 2.71 1.51 0.78 -1.45 117.35 122.13 2vyr s TYR 95 Ca 0.12 -0.32 -0.23 0.00 -1.01 0.00 0.00 57.07 55.62 2vyr s TYR 95 Cb -0.12 -1.06 -0.06 0.00 -0.11 0.00 0.00 41.96 40.62 2vyr s TYR 95 CO 0.02 -0.01 0.70 0.00 -1.11 0.00 0.00 175.55 175.14 2vyr s ALA 97 N -0.34 1.14 -0.28 0.00 0.00 0.41 -2.61 121.76 120.08 2vyr s ALA 97 Ca 0.35 -0.35 -0.18 0.00 0.00 0.00 0.00 51.96 51.79 2vyr s ALA 97 Cb -0.20 -0.53 -0.02 0.00 0.00 0.00 0.00 23.12 22.37 2vyr s ALA 97 CO 0.21 0.10 0.51 0.21 0.00 0.00 0.00 175.76 176.79 2vyr s LYS 98 N 0.68 3.99 0.43 0.00 2.20 -0.17 -1.48 119.74 125.40 2vyr s LYS 98 Ca -0.14 0.22 -0.24 0.00 -0.36 0.00 0.00 55.97 55.46 2vyr s LYS 98 Cb -0.15 -3.68 -0.08 0.00 -1.51 0.00 0.00 37.83 32.41 2vyr s LYS 98 CO 0.03 -0.40 1.16 -1.25 -0.36 0.00 0.00 175.35 174.53 2vyr s PRO 99 N 2.32 3.90 0.34 4.03 0.04 -1.26 -1.99 135.00 142.38 2vyr s PRO 99 Ca 0.20 1.77 0.03 0.00 0.04 0.00 0.00 61.00 63.05 2vyr s PRO 99 Cb -0.16 -2.52 0.61 0.00 0.04 0.00 0.00 34.50 32.48 2vyr s PRO 99 CO 0.10 -0.43 1.94 0.11 0.04 0.00 0.00 177.00 178.76 2vyr h TRP 100 N 2.30 0.68 -3.70 0.56 5.08 -1.95 -3.40 115.95 115.52 2vyr h TRP 100 Ca -0.49 -0.03 -0.65 0.00 1.08 0.00 0.00 58.89 58.80 2vyr h TRP 100 Cb 1.24 -0.21 -0.16 0.00 -3.00 0.00 0.00 29.16 27.02 2vyr h TRP 100 CO 0.54 0.53 -0.28 -0.47 -1.28 0.00 0.00 178.44 177.48 2vyr s TYR 101 N -5.34 3.22 0.57 0.12 5.04 -1.26 -4.96 117.35 114.74 2vyr s TYR 101 Ca -0.09 0.12 0.27 0.00 -2.44 0.00 0.00 57.07 54.93 2vyr s TYR 101 Cb 0.16 -2.64 1.56 0.00 0.35 0.00 0.00 41.96 41.40 2vyr s TYR 101 CO 0.77 -0.36 2.05 -1.35 -1.34 0.00 0.00 175.55 175.32 2vyr h PRO 102 N 8.38 0.00 -0.03 4.97 0.11 -1.90 -0.95 132.00 142.58 2vyr h PRO 102 Ca -0.31 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.80 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 0.67 0.00 -0.10 1.19 -0.21 0.00 0.00 178.00 179.55 2vyr n PHE 103 N -3.93 0.00 -2.53 0.65 3.01 -1.26 -0.89 117.46 112.50 2vyr n PHE 103 Ca 0.04 0.00 -0.42 0.00 1.01 0.00 0.00 57.45 58.08 2vyr n PHE 103 Cb 0.42 0.00 -0.03 0.00 -0.01 0.00 0.00 39.48 39.86 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 -2.01 3.33 0.00 -1.08 1.75 -0.36 -4.79 119.30 116.14 2vyr s MET 104 Ca 0.25 0.08 0.06 0.00 -1.25 0.00 0.00 55.69 54.83 2vyr s MET 104 Cb 0.19 -4.10 0.07 0.00 2.84 0.00 0.00 34.83 33.82 2vyr s MET 104 CO 0.34 -1.93 0.77 0.00 -0.65 0.00 0.00 175.02 173.55 2vyr n ALA 105 N 9.07 2.43 -0.00 4.11 0.00 -1.26 -4.64 120.51 130.21 2vyr n ALA 105 Ca 0.07 -0.63 0.00 0.00 0.00 0.00 0.00 53.44 52.88 2vyr n ALA 105 Cb 0.49 -0.21 0.00 0.00 0.00 0.00 0.00 19.45 19.73 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 0.30 1.37 -3.58 0.00 3.41 -1.26 -3.72 113.62 110.15 2vyr n SER 106 Ca 0.04 -1.38 -0.09 0.00 -0.26 0.00 0.00 58.87 57.18 2vyr n SER 106 Cb 0.18 0.00 -0.04 0.00 -0.26 0.00 0.00 64.21 64.09 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 -0.38 0.55 0.64 4.33 2.20 -1.26 -5.02 119.74 120.80 2vyr s LYS 107 Ca 0.00 0.07 -0.01 0.00 -0.36 0.00 0.00 55.97 55.67 2vyr s LYS 107 Cb 0.00 0.26 0.07 0.00 -1.51 0.00 0.00 37.83 36.65 2vyr s LYS 107 CO 0.00 -0.18 0.89 0.20 -0.36 0.00 0.00 175.35 175.90 2vyr s GLY 108 N -1.31 1.78 0.07 5.54 0.00 -1.26 -5.00 107.32 107.13 2vyr s GLY 108 Ca 0.01 -1.36 -0.03 0.00 0.00 0.00 0.00 44.72 43.33 2vyr s GLY 108 CO -0.01 -0.96 0.05 -1.35 0.00 0.00 0.00 173.10 170.83 2vyr s SER 109 N -4.54 0.36 0.37 1.64 1.04 -1.26 -5.01 113.70 106.30 2vyr s SER 109 Ca 0.61 -0.90 0.25 0.00 0.48 0.00 0.00 55.95 56.38 2vyr s SER 109 Cb -0.09 0.25 1.34 0.00 0.10 0.00 0.00 66.02 67.63 2vyr s SER 109 CO 0.42 -0.65 1.77 1.05 0.98 0.00 0.00 173.24 176.80 2vyr h GLU 110 N 3.00 0.00 -0.18 4.02 4.11 -2.03 -2.55 114.58 120.96 2vyr h GLU 110 Ca -0.34 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.09 2vyr h GLU 110 Cb 1.16 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.41 2vyr h GLU 110 CO 0.62 0.00 0.00 1.19 0.07 0.00 0.00 179.01 180.89 2vyr n PHE 111 N -2.38 0.21 -1.80 2.06 3.01 -1.26 -4.98 117.46 112.32 2vyr n PHE 111 Ca -0.01 -0.11 -0.33 0.00 1.01 0.00 0.00 57.45 58.01 2vyr n PHE 111 Cb 0.05 0.00 0.04 0.00 -0.01 0.00 0.00 39.48 39.56 2vyr n PHE 111 CO 0.00 0.00 0.00 -0.51 1.01 0.00 0.00 176.76 177.26 2vyr s ASP 112 N -1.78 5.25 -0.01 4.37 -0.00 -0.96 -4.48 116.67 119.05 2vyr s ASP 112 Ca 0.33 1.93 -0.13 0.00 -0.00 0.00 0.00 52.55 54.69 2vyr s ASP 112 Cb 0.21 -2.54 -0.05 0.00 -0.00 0.00 0.00 42.92 40.54 2vyr s ASP 112 CO 0.31 -1.53 0.36 -0.31 -0.00 0.00 0.00 175.17 173.99 2vyr s TYR 113 N -2.42 3.69 0.18 4.23 1.51 -0.84 -4.95 117.35 118.75 2vyr s TYR 113 Ca 0.66 0.88 0.08 0.00 -1.01 0.00 0.00 57.07 57.68 2vyr s TYR 113 Cb -0.19 -2.21 -0.04 0.00 -0.11 0.00 0.00 41.96 39.41 2vyr s TYR 113 CO 0.42 0.65 -0.17 -1.58 -1.11 0.00 0.00 175.55 173.76 2vyr s TRP 114 N -1.11 1.78 0.26 2.71 0.51 -1.26 -1.00 118.94 120.84 2vyr s TRP 114 Ca 0.23 -0.50 -0.04 0.00 -2.12 0.00 0.00 56.10 53.67 2vyr s TRP 114 Cb -0.15 -0.87 0.06 0.00 -0.81 0.00 0.00 33.47 31.70 2vyr s TRP 114 CO 0.12 0.35 0.35 0.41 -0.51 0.00 0.00 176.95 177.67 2vyr n GLY 115 N 0.06 -1.16 0.18 0.98 0.00 -1.07 -4.80 105.19 99.38 2vyr n GLY 115 Ca -0.11 -1.69 0.13 0.00 0.00 0.00 0.00 46.02 44.34 2vyr n GLY 115 CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 2vyr h GLN 116 N 0.00 0.00 0.00 1.61 4.20 -1.94 -3.47 115.11 115.51 2vyr h GLN 116 Ca -0.11 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.60 2vyr h GLN 116 Cb 0.32 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.10 2vyr h GLN 116 CO 0.08 0.00 0.00 0.41 -0.67 0.00 0.00 178.83 178.65 2vyr n GLY 117 N 1.11 1.59 2.88 3.46 0.00 -1.26 -5.03 105.19 107.94 2vyr n GLY 117 Ca 0.04 -1.99 -0.18 0.00 0.00 0.00 0.00 46.02 43.90 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 -2.21 0.38 -0.03 2.61 -1.32 -0.53 -4.70 115.64 109.85 2vyr s THR 118 Ca 0.00 -0.07 -0.27 0.00 -1.21 0.00 0.00 61.69 60.14 2vyr s THR 118 Cb 0.00 -0.41 -0.03 0.00 -1.51 0.00 0.00 72.50 70.55 2vyr s THR 118 CO 0.00 0.17 0.87 -0.76 -2.21 0.00 0.00 174.62 172.69 2vyr s LEU 119 N 0.72 4.35 -0.16 9.08 1.02 -1.26 -0.91 118.68 131.52 2vyr s LEU 119 Ca -0.08 1.47 0.01 0.00 0.02 0.00 0.00 54.13 55.55 2vyr s LEU 119 Cb -0.12 -3.37 0.01 0.00 0.02 0.00 0.00 46.19 42.73 2vyr s LEU 119 CO -0.00 -0.20 -0.19 -0.69 0.02 0.00 0.00 176.35 175.28 2vyr s VAL 120 N 0.94 2.29 -0.11 -1.59 1.01 -0.12 -1.12 120.40 121.69 2vyr s VAL 120 Ca 0.46 -0.89 0.03 0.00 0.00 0.00 0.00 61.98 61.58 2vyr s VAL 120 Cb -0.20 -1.95 0.00 0.00 0.00 0.00 0.00 36.38 34.24 2vyr s VAL 120 CO 0.24 0.53 -0.23 -0.89 0.00 0.00 0.00 175.10 174.76 2vyr s THR 121 N 0.95 2.00 -0.27 3.92 2.01 0.25 -2.03 115.64 122.47 2vyr s THR 121 Ca -0.03 -0.97 0.01 0.00 0.31 0.00 0.00 61.69 61.01 2vyr s THR 121 Cb -0.15 -1.75 0.07 0.00 0.01 0.00 0.00 72.50 70.69 2vyr s THR 121 CO -0.04 0.54 -0.01 -0.69 -0.69 0.00 0.00 174.62 173.73 2vyr s VAL 122 N 0.53 1.63 -0.02 3.82 1.01 -1.26 -1.07 120.40 125.04 2vyr s VAL 122 Ca -0.15 -1.50 -0.21 0.00 0.00 0.00 0.00 61.98 60.12 2vyr s VAL 122 Cb -0.17 -1.99 0.04 0.00 0.00 0.00 0.00 36.38 34.26 2vyr s VAL 122 CO 0.05 -0.28 0.45 -0.94 0.00 0.00 0.00 175.10 174.37 2vyr s SER 123 N 1.31 -0.36 0.00 3.32 1.04 -0.63 -4.40 113.70 113.98 2vyr s SER 123 Ca -0.00 0.28 0.22 0.00 0.48 0.00 0.00 55.95 56.93 2vyr s SER 123 Cb -0.19 0.40 0.17 0.00 0.10 0.00 0.00 66.02 66.51 2vyr s SER 123 CO -0.09 -0.53 1.20 -1.54 0.98 0.00 0.00 173.24 173.25