#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 3.02 -0.02 3.84 1.01 -1.26 -4.03 120.40 122.97 2vyr s VAL 2 Ca 0.00 0.55 0.02 0.00 0.00 0.00 0.00 61.98 62.55 2vyr s VAL 2 Cb 0.00 -3.35 0.00 0.00 0.00 0.00 0.00 36.38 33.03 2vyr s VAL 2 CO 0.00 0.01 -0.08 -1.10 0.00 0.00 0.00 175.10 173.93 2vyr s GLN 3 N 2.26 0.79 -0.11 2.72 -0.21 -0.20 -4.99 119.66 119.92 2vyr s GLN 3 Ca 0.72 -0.27 0.00 0.00 0.02 0.00 0.00 55.36 55.83 2vyr s GLN 3 Cb -0.40 -0.76 0.02 0.00 1.00 0.00 0.00 33.01 32.88 2vyr s GLN 3 CO 0.31 0.12 -0.10 -0.51 -2.12 0.00 0.00 175.29 173.00 2vyr s LEU 4 N 0.08 1.36 -0.29 2.90 1.43 -1.26 -1.50 118.68 121.40 2vyr s LEU 4 Ca -0.01 -0.34 0.03 0.00 -1.03 0.00 0.00 54.13 52.78 2vyr s LEU 4 Cb -0.06 -0.91 0.08 0.00 0.03 0.00 0.00 46.19 45.32 2vyr s LEU 4 CO 0.00 -0.08 -0.04 -0.76 0.23 0.00 0.00 176.35 175.70 2vyr s LEU 5 N 1.50 3.79 0.34 1.79 1.43 -0.41 -4.25 118.68 122.87 2vyr s LEU 5 Ca 0.02 -1.65 -0.19 0.00 -1.03 0.00 0.00 54.13 51.27 2vyr s LEU 5 Cb -0.13 -1.52 -0.10 0.00 0.03 0.00 0.00 46.19 44.47 2vyr s LEU 5 CO -0.07 -0.27 0.83 -1.61 0.23 0.00 0.00 176.35 175.46 2vyr s GLU 6 N 1.08 4.19 0.27 1.70 8.01 -1.26 -1.38 118.70 131.31 2vyr s GLU 6 Ca -0.01 0.94 -0.17 0.00 0.01 0.00 0.00 54.97 55.74 2vyr s GLU 6 Cb -0.19 -2.47 0.01 0.00 -4.31 0.00 0.00 34.13 27.16 2vyr s GLU 6 CO -0.07 0.15 0.62 -1.54 0.01 0.00 0.00 175.26 174.43 2vyr s SER 7 N -2.05 -0.15 0.00 -0.19 1.04 -0.50 -4.72 113.70 107.13 2vyr s SER 7 Ca 0.54 -0.79 0.00 0.00 0.48 0.00 0.00 55.95 56.18 2vyr s SER 7 Cb -0.12 0.67 0.00 0.00 0.10 0.00 0.00 66.02 66.67 2vyr s SER 7 CO 0.17 -1.28 0.00 0.61 0.98 0.00 0.00 173.24 173.72 2vyr n GLY 8 N -0.43 0.67 3.77 7.32 0.00 -1.26 -1.39 105.19 113.86 2vyr n GLY 8 Ca -0.03 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.66 2vyr n GLY 8 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2vyr s GLY 9 N -0.87 2.16 0.00 -0.02 0.00 -1.26 -4.64 107.32 102.68 2vyr s GLY 9 Ca 0.00 0.57 0.00 0.00 0.00 0.00 0.00 44.72 45.29 2vyr s GLY 9 CO 0.00 0.92 0.00 0.61 0.00 0.00 0.00 173.10 174.63 2vyr n GLY 10 N -0.46 0.80 3.18 0.20 0.00 -0.72 -4.91 105.19 103.27 2vyr n GLY 10 Ca 0.11 -0.63 -0.31 0.00 0.00 0.00 0.00 46.02 45.18 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 2.02 0.09 0.99 0.20 -1.26 -0.87 118.68 119.85 2vyr s LEU 11 Ca 0.00 -0.53 -0.01 0.00 0.69 0.00 0.00 54.13 54.28 2vyr s LEU 11 Cb 0.00 -1.33 -0.04 0.00 -0.43 0.00 0.00 46.19 44.39 2vyr s LEU 11 CO 0.00 0.13 0.00 -0.69 -0.29 0.00 0.00 176.35 175.50 2vyr s VAL 12 N 0.48 0.21 0.34 1.68 1.01 0.10 -5.00 120.40 119.22 2vyr s VAL 12 Ca -0.16 -1.86 -0.07 0.00 0.00 0.00 0.00 61.98 59.89 2vyr s VAL 12 Cb -0.17 -1.74 -0.06 0.00 0.00 0.00 0.00 36.38 34.41 2vyr s VAL 12 CO 0.06 -0.78 0.64 -1.10 0.00 0.00 0.00 175.10 173.92 2vyr s GLN 13 N -3.96 3.69 0.06 2.72 -0.21 -1.26 -1.51 119.66 119.19 2vyr s GLN 13 Ca 0.14 0.19 -0.36 0.00 0.02 0.00 0.00 55.36 55.35 2vyr s GLN 13 Cb 0.08 -2.54 -0.16 0.00 1.00 0.00 0.00 33.01 31.39 2vyr s GLN 13 CO -0.05 0.11 1.48 -2.30 -2.12 0.00 0.00 175.29 172.41 2vyr n PRO 14 N -1.10 1.48 -0.05 2.91 -0.02 -1.26 0.05 135.00 137.02 2vyr n PRO 14 Ca -0.00 0.54 0.00 0.00 -2.02 0.00 0.00 63.50 62.02 2vyr n PRO 14 Cb 0.54 -2.23 0.00 0.00 -0.02 0.00 0.00 33.50 31.79 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 3.04 1.00 0.00 -1.23 0.00 0.13 -4.92 105.19 103.20 2vyr n GLY 15 Ca 0.19 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.21 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 -1.36 3.40 -0.02 0.00 0.11 -4.12 105.19 101.20 2vyr n GLY 16 Ca 0.00 -1.60 -0.15 0.00 0.00 0.00 0.00 46.02 44.27 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 -1.13 -0.46 -0.02 1.61 1.04 -1.26 -1.60 113.70 111.87 2vyr s SER 17 Ca 0.00 0.28 -0.10 0.00 0.48 0.00 0.00 55.95 56.61 2vyr s SER 17 Cb 0.00 0.48 0.01 0.00 0.10 0.00 0.00 66.02 66.62 2vyr s SER 17 CO 0.00 -0.67 0.22 -0.76 0.98 0.00 0.00 173.24 173.01 2vyr s LEU 18 N -1.74 1.20 -0.25 2.42 1.43 -0.48 -5.01 118.68 116.25 2vyr s LEU 18 Ca -0.07 0.05 -0.04 0.00 -1.03 0.00 0.00 54.13 53.03 2vyr s LEU 18 Cb -0.01 0.92 0.01 0.00 0.03 0.00 0.00 46.19 47.14 2vyr s LEU 18 CO 0.01 -0.34 -0.01 -0.60 0.23 0.00 0.00 176.35 175.65 2vyr s ARG 19 N -1.03 3.12 0.14 1.70 3.00 -1.26 -0.40 118.95 124.21 2vyr s ARG 19 Ca -0.11 -0.81 -0.06 0.00 -1.00 0.00 0.00 55.73 53.75 2vyr s ARG 19 Cb -0.05 -3.12 -0.06 0.00 0.00 0.00 0.00 34.95 31.72 2vyr s ARG 19 CO 0.02 -0.34 0.40 -0.51 0.00 0.00 0.00 175.30 174.87 2vyr s LEU 20 N 1.44 4.27 0.16 -0.88 1.43 0.62 -4.62 118.68 121.10 2vyr s LEU 20 Ca 0.03 0.65 0.05 0.00 -1.03 0.00 0.00 54.13 53.83 2vyr s LEU 20 Cb -0.16 -3.29 -0.05 0.00 0.03 0.00 0.00 46.19 42.72 2vyr s LEU 20 CO -0.02 0.06 -0.10 -0.94 0.23 0.00 0.00 176.35 175.59 2vyr s SER 21 N -2.31 1.90 -0.14 2.29 1.04 -0.49 -1.18 113.70 114.81 2vyr s SER 21 Ca 0.40 -1.03 -0.04 0.00 0.48 0.00 0.00 55.95 55.76 2vyr s SER 21 Cb -0.12 -0.02 0.05 0.00 0.10 0.00 0.00 66.02 66.02 2vyr s SER 21 CO 0.23 -0.33 0.07 0.00 0.98 0.00 0.00 173.24 174.20 2vyr s ALA 23 N 2.12 3.58 0.07 0.00 0.00 -0.48 -1.04 121.76 126.01 2vyr s ALA 23 Ca 0.03 -0.53 0.02 0.00 0.00 0.00 0.00 51.96 51.48 2vyr s ALA 23 Cb -0.15 -2.89 -0.04 0.00 0.00 0.00 0.00 23.12 20.04 2vyr s ALA 23 CO -0.07 -0.68 0.08 0.00 0.00 0.00 0.00 175.76 175.09 2vyr s ALA 24 N 2.17 3.58 0.16 0.00 0.00 -0.10 -1.29 121.76 126.28 2vyr s ALA 24 Ca 0.23 -0.99 -0.22 0.00 0.00 0.00 0.00 51.96 50.98 2vyr s ALA 24 Cb -0.16 -1.47 0.06 0.00 0.00 0.00 0.00 23.12 21.56 2vyr s ALA 24 CO 0.09 0.74 0.58 -1.54 0.00 0.00 0.00 175.76 175.63 2vyr s SER 25 N -2.29 -0.51 0.00 0.00 1.04 -0.56 -4.85 113.70 106.53 2vyr s SER 25 Ca 0.28 -0.08 0.00 0.00 0.48 0.00 0.00 55.95 56.64 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 0.21 -0.97 0.00 0.61 0.98 0.00 0.00 173.24 174.07 2vyr n GLY 26 N -0.36 0.74 3.74 7.32 0.00 -1.26 -1.03 105.19 114.34 2vyr n GLY 26 Ca -0.16 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.77 2vyr n GLY 26 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 2vyr s PHE 27 N -2.46 0.14 -1.17 1.61 -0.12 -1.26 -4.31 117.98 110.41 2vyr s PHE 27 Ca 0.00 -0.59 -0.18 0.00 -0.05 0.00 0.00 56.93 56.12 2vyr s PHE 27 Cb 0.00 0.51 0.11 0.00 -0.63 0.00 0.00 43.02 43.00 2vyr s PHE 27 CO 0.00 -1.21 1.51 0.99 -0.05 0.00 0.00 175.22 176.46 2vyr s THR 28 N -3.60 4.46 0.21 -4.49 2.01 -1.26 -4.84 115.64 108.12 2vyr s THR 28 Ca 0.17 -1.90 -0.16 0.00 0.31 0.00 0.00 61.69 60.11 2vyr s THR 28 Cb -0.04 -5.03 0.22 0.00 0.01 0.00 0.00 72.50 67.66 2vyr s THR 28 CO 0.09 -1.81 1.60 0.15 -0.69 0.00 0.00 174.62 173.96 2vyr h PHE 29 N 7.99 -0.63 0.00 4.92 3.57 -1.96 -0.17 116.94 130.66 2vyr h PHE 29 Ca 0.33 0.07 0.00 0.00 3.53 0.00 0.00 57.97 61.89 2vyr h PHE 29 Cb 0.92 0.38 0.00 0.00 2.79 0.00 0.00 35.95 40.04 2vyr h PHE 29 CO 1.27 -0.34 0.00 -0.85 -2.23 0.00 0.00 178.31 176.15 2vyr n GLU 30 N -5.46 0.01 0.03 1.11 0.00 -1.26 -1.39 120.64 113.68 2vyr n GLU 30 Ca 0.07 0.37 0.11 0.00 0.00 0.00 0.00 57.16 57.71 2vyr n GLU 30 Cb 0.37 -1.50 0.03 0.00 0.00 0.00 0.00 31.44 30.34 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 -1.48 0.27 -4.58 3.44 1.02 -0.08 -4.53 120.64 114.70 2vyr n GLU 31 Ca 0.02 -0.00 -0.34 0.00 -0.02 0.00 0.00 57.16 56.82 2vyr n GLU 31 Cb 0.07 -1.59 -0.12 0.00 -0.02 0.00 0.00 31.44 29.79 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 -3.18 2.95 0.76 -0.32 1.51 -0.48 -4.79 117.35 113.80 2vyr s TYR 32 Ca 0.04 -0.13 -0.15 0.00 -1.01 0.00 0.00 57.07 55.82 2vyr s TYR 32 Cb 0.14 -1.79 0.04 0.00 -0.11 0.00 0.00 41.96 40.25 2vyr s TYR 32 CO 0.80 0.18 1.11 0.00 -1.11 0.00 0.00 175.55 176.52 2vyr n ALA 33 N 2.71 -0.03 -2.49 3.71 0.00 0.80 -4.10 120.51 121.11 2vyr n ALA 33 Ca -0.18 -0.25 -0.12 0.00 0.00 0.00 0.00 53.44 52.89 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 -3.73 0.71 0.08 0.00 -1.94 -0.68 -4.28 119.30 109.46 2vyr s MET 34 Ca 0.74 -1.08 0.04 0.00 -1.71 0.00 0.00 55.69 53.69 2vyr s MET 34 Cb -0.32 -0.28 -0.03 0.00 2.01 0.00 0.00 34.83 36.21 2vyr s MET 34 CO 0.50 0.02 -0.12 -0.51 -0.01 0.00 0.00 175.02 174.90 2vyr s LEU 35 N -2.37 2.32 -0.07 -0.03 1.43 -0.71 -1.56 118.68 117.69 2vyr s LEU 35 Ca 0.02 -0.68 0.03 0.00 -1.03 0.00 0.00 54.13 52.47 2vyr s LEU 35 Cb -0.02 -0.40 -0.02 0.00 0.03 0.00 0.00 46.19 45.78 2vyr s LEU 35 CO -0.02 -0.16 -0.15 0.26 0.23 0.00 0.00 176.35 176.51 2vyr s TRP 36 N -1.70 2.71 0.23 0.29 0.52 0.11 -1.16 118.94 119.94 2vyr s TRP 36 Ca -0.00 -0.35 0.03 0.00 0.02 0.00 0.00 56.10 55.80 2vyr s TRP 36 Cb -0.08 -1.69 -0.05 0.00 -1.15 0.00 0.00 33.47 30.51 2vyr s TRP 36 CO 0.01 0.04 0.01 0.14 0.02 0.00 0.00 176.95 177.18 2vyr s VAL 37 N -0.37 0.91 0.14 4.03 -7.23 -0.25 -0.74 120.40 116.89 2vyr s VAL 37 Ca 0.04 -2.02 -0.06 0.00 -1.81 0.00 0.00 61.98 58.13 2vyr s VAL 37 Cb -0.12 -2.37 -0.02 0.00 0.56 0.00 0.00 36.38 34.43 2vyr s VAL 37 CO 0.02 -0.29 0.18 0.00 -0.31 0.00 0.00 175.10 174.70 2vyr s ARG 38 N -3.90 1.02 -0.17 4.82 1.70 -0.34 0.35 118.95 122.43 2vyr s ARG 38 Ca 0.29 -1.25 -0.05 0.00 -0.47 0.00 0.00 55.73 54.25 2vyr s ARG 38 Cb 0.06 0.32 0.06 0.00 -0.57 0.00 0.00 34.95 34.82 2vyr s ARG 38 CO 0.09 -0.33 0.11 -1.14 -1.08 0.00 0.00 175.30 172.94 2vyr s GLN 39 N -3.99 0.07 0.62 3.89 0.74 0.08 -0.94 119.66 120.14 2vyr s GLN 39 Ca 0.18 0.00 -0.16 0.00 0.05 0.00 0.00 55.36 55.43 2vyr s GLN 39 Cb 0.05 -1.63 -0.02 0.00 1.10 0.00 0.00 33.01 32.51 2vyr s GLN 39 CO -0.01 -0.64 1.12 0.00 -0.55 0.00 0.00 175.29 175.21 2vyr s ALA 40 N 2.17 2.53 -0.20 1.58 0.00 -1.26 -1.53 121.76 125.05 2vyr s ALA 40 Ca 0.03 0.66 -0.40 0.00 0.00 0.00 0.00 51.96 52.25 2vyr s ALA 40 Cb -0.16 -3.34 -0.17 0.00 0.00 0.00 0.00 23.12 19.46 2vyr s ALA 40 CO -0.09 -1.13 1.60 -2.30 0.00 0.00 0.00 175.76 173.84 2vyr n PRO 41 N -2.05 0.98 -1.19 0.00 -0.02 -1.26 -1.05 135.00 130.41 2vyr n PRO 41 Ca 0.11 0.36 -0.07 0.00 -2.02 0.00 0.00 63.50 61.88 2vyr n PRO 41 Cb 0.52 -2.01 -0.03 0.00 -0.02 0.00 0.00 33.50 31.96 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 3.64 0.83 0.00 -1.23 0.00 -1.26 -4.98 105.19 102.19 2vyr n GLY 42 Ca 0.25 -0.32 0.00 0.00 0.00 0.00 0.00 46.02 45.94 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 -2.00 3.97 -2.09 1.61 4.76 -0.21 -5.18 118.16 119.02 2vyr n LYS 43 Ca -0.07 0.00 -0.01 0.00 -2.87 0.00 0.00 58.31 55.36 2vyr n LYS 43 Cb 0.32 0.00 -0.00 0.00 -1.84 0.00 0.00 35.03 33.50 2vyr n LYS 43 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 2vyr n GLY 44 N 5.00 4.14 3.72 0.72 0.00 -1.26 -4.82 105.19 112.69 2vyr n GLY 44 Ca 0.00 -2.10 -0.42 0.00 0.00 0.00 0.00 46.02 43.50 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 -0.10 0.99 0.20 -1.26 -4.29 118.68 118.61 2vyr s LEU 45 Ca 0.00 2.09 0.02 0.00 0.69 0.00 0.00 54.13 56.93 2vyr s LEU 45 Cb 0.00 -3.58 0.02 0.00 -0.43 0.00 0.00 46.19 42.19 2vyr s LEU 45 CO 0.00 -0.47 -0.14 -0.70 -0.29 0.00 0.00 176.35 174.76 2vyr s GLU 46 N 0.82 2.00 0.22 1.98 2.12 -0.11 -4.99 118.70 120.74 2vyr s GLU 46 Ca 0.58 -0.49 -0.30 0.00 0.36 0.00 0.00 54.97 55.13 2vyr s GLU 46 Cb -0.31 -1.73 -0.09 0.00 0.26 0.00 0.00 34.13 32.26 2vyr s GLU 46 CO 0.31 -0.06 1.26 -0.46 -0.54 0.00 0.00 175.26 175.76 2vyr s TRP 47 N 0.99 3.31 -0.15 5.30 -0.00 -1.26 -1.20 118.94 125.93 2vyr s TRP 47 Ca -0.07 1.35 -0.07 0.00 -0.00 0.00 0.00 56.10 57.31 2vyr s TRP 47 Cb -0.15 -3.54 -0.07 0.00 -0.00 0.00 0.00 33.47 29.72 2vyr s TRP 47 CO -0.01 -1.56 -0.19 0.28 -0.00 0.00 0.00 176.95 175.47 2vyr n VAL 48 N 2.21 0.83 -3.53 5.86 0.31 0.08 -4.63 118.33 119.47 2vyr n VAL 48 Ca 0.04 -0.22 -0.10 0.00 -0.01 0.00 0.00 64.34 64.05 2vyr n VAL 48 Cb 0.43 -1.64 -0.03 0.00 -0.91 0.00 0.00 33.84 31.69 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 -6.28 -0.39 0.14 4.52 0.15 -0.95 -1.43 113.70 109.47 2vyr s SER 49 Ca -0.21 0.19 -0.09 0.00 0.70 0.00 0.00 55.95 56.54 2vyr s SER 49 Cb 0.08 0.37 -0.01 0.00 -1.71 0.00 0.00 66.02 64.75 2vyr s SER 49 CO 0.27 -0.52 0.25 -0.83 1.20 0.00 0.00 173.24 173.61 2vyr s GLY 50 N -1.91 0.36 -0.07 9.45 0.00 -0.64 0.09 107.32 114.60 2vyr s GLY 50 Ca 0.01 -0.80 -0.11 0.00 0.00 0.00 0.00 44.72 43.82 2vyr s GLY 50 CO -0.04 -0.83 0.28 -1.50 0.00 0.00 0.00 173.10 171.02 2vyr s ILE 51 N -3.93 0.02 0.97 0.90 2.07 -0.60 -0.68 121.20 119.95 2vyr s ILE 51 Ca 0.13 -0.19 -0.12 0.00 -1.41 0.00 0.00 60.65 59.06 2vyr s ILE 51 Cb 0.04 -0.47 0.17 0.00 0.13 0.00 0.00 42.46 42.33 2vyr s ILE 51 CO -0.04 -0.11 1.10 0.54 -1.91 0.00 0.00 174.94 174.52 2vyr s ASN 52 N -0.39 2.87 0.24 4.50 4.22 -0.60 -1.68 114.94 124.10 2vyr s ASN 52 Ca -0.05 1.23 -0.04 0.00 -2.14 0.00 0.00 52.86 51.86 2vyr s ASN 52 Cb -0.03 -1.90 0.40 0.00 1.28 0.00 0.00 41.25 41.00 2vyr s ASN 52 CO 0.02 -2.99 1.79 0.00 -2.04 0.00 0.00 177.10 173.88 2vyr h ALA 53 N -1.79 1.14 -0.01 3.54 0.00 -1.84 -1.85 119.26 118.45 2vyr h ALA 53 Ca -0.53 0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.43 2vyr h ALA 53 Cb 1.32 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 19.02 2vyr h ALA 53 CO 0.57 0.03 -0.06 0.54 0.00 0.00 0.00 179.25 180.33 2vyr n ARG 54 N -4.80 1.31 -1.52 0.00 1.74 -1.26 -4.77 116.66 107.36 2vyr n ARG 54 Ca 0.13 -0.66 -0.04 0.00 -0.77 0.00 0.00 57.85 56.52 2vyr n ARG 54 Cb 0.30 -1.49 -0.01 0.00 -1.02 0.00 0.00 32.46 30.25 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 1.19 0.46 0.00 -0.13 0.00 -0.70 -4.92 105.19 101.10 2vyr n GLY 55 Ca 0.18 -0.84 0.00 0.00 0.00 0.00 0.00 46.02 45.36 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 -3.38 0.00 -4.08 1.61 0.18 -1.26 -4.80 117.16 105.43 2vyr n TYR 56 Ca -0.04 0.00 -0.33 0.00 1.88 0.00 0.00 57.90 59.41 2vyr n TYR 56 Cb 0.30 0.00 -0.16 0.00 -0.38 0.00 0.00 39.34 39.10 2vyr n TYR 56 CO 0.00 0.00 0.00 0.99 -2.08 0.00 0.00 176.86 175.77 2vyr s THR 57 N -0.27 2.32 0.09 -3.48 2.01 -1.26 -5.04 115.64 110.01 2vyr s THR 57 Ca 0.00 -0.88 0.10 0.00 0.31 0.00 0.00 61.69 61.22 2vyr s THR 57 Cb 0.00 -2.00 -0.04 0.00 0.01 0.00 0.00 72.50 70.47 2vyr s THR 57 CO 0.00 0.50 -0.26 0.42 -0.69 0.00 0.00 174.62 174.58 2vyr s THR 58 N 1.32 2.23 0.04 -0.82 -4.23 -1.26 -1.56 115.64 111.35 2vyr s THR 58 Ca 0.05 -1.59 0.06 0.00 -1.18 0.00 0.00 61.69 59.03 2vyr s THR 58 Cb -0.13 -1.94 -0.02 0.00 1.34 0.00 0.00 72.50 71.75 2vyr s THR 58 CO -0.11 0.21 -0.17 -0.31 -0.54 0.00 0.00 174.62 173.71 2vyr s TYR 59 N -0.95 1.48 0.02 3.99 1.51 0.14 -5.00 117.35 118.54 2vyr s TYR 59 Ca 0.13 -0.36 0.00 0.00 -1.01 0.00 0.00 57.07 55.84 2vyr s TYR 59 Cb -0.10 -0.88 -0.01 0.00 -0.11 0.00 0.00 41.96 40.85 2vyr s TYR 59 CO 0.04 0.06 -0.03 0.71 -1.11 0.00 0.00 175.55 175.22 2vyr s TYR 60 N -0.80 0.25 0.44 2.71 1.51 -1.26 -1.62 117.35 118.57 2vyr s TYR 60 Ca 0.04 -0.36 -0.24 0.00 -1.01 0.00 0.00 57.07 55.51 2vyr s TYR 60 Cb -0.08 -0.17 -0.08 0.00 -0.11 0.00 0.00 41.96 41.52 2vyr s TYR 60 CO 0.01 -0.11 1.15 0.00 -1.11 0.00 0.00 175.55 175.49 2vyr s ALA 61 N -0.97 3.03 0.46 3.71 0.00 -0.51 -4.88 121.76 122.59 2vyr s ALA 61 Ca -0.10 0.91 0.17 0.00 0.00 0.00 0.00 51.96 52.94 2vyr s ALA 61 Cb -0.07 -3.37 1.12 0.00 0.00 0.00 0.00 23.12 20.80 2vyr s ALA 61 CO -0.01 -0.57 1.98 -0.44 0.00 0.00 0.00 175.76 176.73 2vyr h ASP 62 N 2.25 0.28 0.66 0.00 3.32 -1.94 -0.66 116.42 120.34 2vyr h ASP 62 Ca -0.49 0.01 0.00 0.00 0.02 0.00 0.00 57.03 56.57 2vyr h ASP 62 Cb 1.24 -0.05 0.00 0.00 0.22 0.00 0.00 39.33 40.74 2vyr h ASP 62 CO 0.61 0.16 0.00 0.77 -1.72 0.00 0.00 179.24 179.06 2vyr h SER 63 N 0.31 0.00 -0.00 6.45 4.64 -1.97 -3.18 113.55 119.80 2vyr h SER 63 Ca 0.28 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.60 2vyr h SER 63 Cb 0.67 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.76 2vyr h SER 63 CO -0.07 0.00 -0.01 1.33 -0.87 0.00 0.00 176.83 177.22 2vyr n VAL 64 N -2.45 0.00 -1.67 0.95 0.24 -0.30 -5.00 118.33 110.10 2vyr n VAL 64 Ca 0.01 -0.50 -0.45 0.00 -2.04 0.00 0.00 64.34 61.37 2vyr n VAL 64 Cb 0.21 1.00 -0.02 0.00 -1.47 0.00 0.00 33.84 33.56 2vyr n VAL 64 CO 0.00 0.00 0.00 2.29 -2.14 0.00 0.00 176.83 176.98 2vyr n LYS 65 N -0.47 1.98 0.00 7.34 2.85 -0.92 -1.59 118.16 127.35 2vyr n LYS 65 Ca 0.00 0.70 0.00 0.00 -1.05 0.00 0.00 58.31 57.96 2vyr n LYS 65 Cb 0.01 -2.33 0.00 0.00 -0.65 0.00 0.00 35.03 32.05 2vyr n LYS 65 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 2vyr n GLY 66 N 1.97 3.13 0.07 2.58 0.00 -1.26 -4.76 105.19 106.92 2vyr n GLY 66 Ca 0.11 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 46.05 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 -1.77 1.44 -4.18 1.61 1.74 -0.62 -5.01 116.66 109.88 2vyr n ARG 67 Ca 0.00 0.03 -0.33 0.00 -0.77 0.00 0.00 57.85 56.77 2vyr n ARG 67 Cb 0.00 -1.32 -0.08 0.00 -1.02 0.00 0.00 32.46 30.04 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 -2.31 3.22 -0.07 -1.55 0.40 -0.85 -0.88 117.98 115.94 2vyr s PHE 68 Ca -0.11 0.18 -0.00 0.00 -0.60 0.00 0.00 56.93 56.40 2vyr s PHE 68 Cb 0.04 -1.74 0.02 0.00 0.51 0.00 0.00 43.02 41.86 2vyr s PHE 68 CO 0.47 0.52 -0.04 0.99 0.70 0.00 0.00 175.22 177.87 2vyr s THR 69 N -1.11 0.63 -0.02 0.64 2.01 0.27 -4.89 115.64 113.17 2vyr s THR 69 Ca 0.20 -0.08 -0.07 0.00 0.31 0.00 0.00 61.69 62.05 2vyr s THR 69 Cb -0.12 -0.70 -0.05 0.00 0.01 0.00 0.00 72.50 71.65 2vyr s THR 69 CO 0.11 0.28 0.25 -0.51 -0.69 0.00 0.00 174.62 174.06 2vyr s ILE 70 N 1.55 5.33 0.29 1.82 2.07 -1.26 -0.21 121.20 130.78 2vyr s ILE 70 Ca -0.00 0.21 -0.18 0.00 -1.41 0.00 0.00 60.65 59.27 2vyr s ILE 70 Cb -0.13 -3.54 0.02 0.00 0.13 0.00 0.00 42.46 38.93 2vyr s ILE 70 CO -0.04 0.43 0.66 -0.94 -1.91 0.00 0.00 174.94 173.14 2vyr s SER 71 N -1.53 -0.15 0.03 4.50 1.04 -0.98 -5.01 113.70 111.60 2vyr s SER 71 Ca 0.25 -0.78 -0.10 0.00 0.48 0.00 0.00 55.95 55.79 2vyr s SER 71 Cb -0.13 0.71 0.01 0.00 0.10 0.00 0.00 66.02 66.70 2vyr s SER 71 CO 0.14 -1.33 0.22 0.00 0.98 0.00 0.00 173.24 173.24 2vyr s ARG 72 N -3.73 0.67 -0.37 4.02 1.70 -1.26 -0.21 118.95 119.78 2vyr s ARG 72 Ca 0.15 -0.52 0.03 0.00 -0.47 0.00 0.00 55.73 54.92 2vyr s ARG 72 Cb -0.04 0.28 0.11 0.00 -0.57 0.00 0.00 34.95 34.73 2vyr s ARG 72 CO 0.08 -0.19 0.10 0.34 -1.08 0.00 0.00 175.30 174.56 2vyr s ASP 73 N -1.87 4.48 0.46 -2.89 3.68 -0.21 -4.99 116.67 115.32 2vyr s ASP 73 Ca -0.08 -2.22 0.18 0.00 2.13 0.00 0.00 52.55 52.57 2vyr s ASP 73 Cb -0.03 -1.44 1.11 0.00 -1.45 0.00 0.00 42.92 41.12 2vyr s ASP 73 CO -0.02 -0.36 1.99 0.78 0.13 0.00 0.00 175.17 177.70 2vyr h ASN 74 N 7.48 0.00 0.85 -0.34 2.35 -1.95 -1.06 115.58 122.91 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 0.99 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.36 2vyr h ASN 74 CO 0.53 0.19 0.00 0.77 -1.65 0.00 0.00 177.43 177.27 2vyr h SER 75 N 0.00 0.00 -0.04 5.81 4.64 -1.95 -2.43 113.55 119.57 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 0.38 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.47 2vyr h SER 75 CO 0.02 0.00 0.00 1.17 -0.87 0.00 0.00 176.83 177.15 2vyr n LYS 76 N -2.93 0.48 -3.93 4.77 4.81 -0.70 -5.01 118.16 115.65 2vyr n LYS 76 Ca 0.00 -1.08 -0.25 0.00 -0.87 0.00 0.00 58.31 56.11 2vyr n LYS 76 Cb 0.26 -1.14 -0.02 0.00 0.02 0.00 0.00 35.03 34.15 2vyr n LYS 76 CO 0.00 0.00 0.00 0.09 1.17 0.00 0.00 177.40 178.66 2vyr n ASN 77 N 0.36 -0.45 -4.05 3.14 5.03 -0.48 -4.81 115.26 114.00 2vyr n ASN 77 Ca 0.05 -0.99 -0.19 0.00 0.87 0.00 0.00 54.58 54.32 2vyr n ASN 77 Cb 0.21 -3.15 -0.14 0.00 -1.02 0.00 0.00 39.78 35.68 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 -3.93 0.79 -0.01 3.41 2.01 -1.03 -0.92 115.64 115.95 2vyr s THR 78 Ca 0.01 -0.58 0.03 0.00 0.31 0.00 0.00 61.69 61.47 2vyr s THR 78 Cb -0.00 -0.69 -0.03 0.00 0.01 0.00 0.00 72.50 71.78 2vyr s THR 78 CO 0.88 0.12 -0.10 -0.22 -0.69 0.00 0.00 174.62 174.61 2vyr s LEU 79 N -0.52 2.99 0.14 4.42 2.96 -0.20 -1.04 118.68 127.42 2vyr s LEU 79 Ca 0.02 -0.18 0.09 0.00 -0.22 0.00 0.00 54.13 53.85 2vyr s LEU 79 Cb -0.05 -1.69 -0.04 0.00 0.50 0.00 0.00 46.19 44.91 2vyr s LEU 79 CO 0.00 0.31 -0.22 -0.31 -1.32 0.00 0.00 176.35 174.81 2vyr s TYR 80 N -0.90 1.98 -0.19 5.38 1.51 0.71 -0.15 117.35 125.69 2vyr s TYR 80 Ca 0.15 -0.41 -0.03 0.00 -1.01 0.00 0.00 57.07 55.77 2vyr s TYR 80 Cb -0.11 -1.04 0.06 0.00 -0.11 0.00 0.00 41.96 40.76 2vyr s TYR 80 CO 0.05 0.31 0.03 -1.17 -1.11 0.00 0.00 175.55 173.66 2vyr s LEU 81 N -2.27 1.22 -0.32 -1.29 2.96 -0.32 -2.33 118.68 116.33 2vyr s LEU 81 Ca 0.13 -0.79 -0.19 0.00 -0.22 0.00 0.00 54.13 53.06 2vyr s LEU 81 Cb -0.08 -0.62 -0.01 0.00 0.50 0.00 0.00 46.19 45.98 2vyr s LEU 81 CO 0.06 -0.29 0.56 -1.58 -1.32 0.00 0.00 176.35 173.78 2vyr s GLN 82 N 1.84 3.80 -0.34 1.98 2.00 0.70 -0.28 119.66 129.37 2vyr s GLN 82 Ca -0.01 0.09 -0.04 0.00 -2.00 0.00 0.00 55.36 53.40 2vyr s GLN 82 Cb -0.17 -3.75 0.06 0.00 0.80 0.00 0.00 33.01 29.95 2vyr s GLN 82 CO -0.08 -0.57 0.10 -1.64 -0.50 0.00 0.00 175.29 172.60 2vyr s MET 83 N 2.47 2.44 0.36 1.67 -1.94 0.46 -0.57 119.30 124.19 2vyr s MET 83 Ca 0.22 -1.35 0.07 0.00 -1.71 0.00 0.00 55.69 52.92 2vyr s MET 83 Cb -0.15 -3.41 -0.02 0.00 2.01 0.00 0.00 34.83 33.26 2vyr s MET 83 CO 0.12 -0.75 0.38 -0.80 -0.01 0.00 0.00 175.02 173.96 2vyr s ASN 84 N 1.49 5.46 -1.37 3.03 0.01 -0.06 -1.38 114.94 122.13 2vyr s ASN 84 Ca -0.01 -0.45 -0.03 0.00 -0.71 0.00 0.00 52.86 51.66 2vyr s ASN 84 Cb -0.20 -0.94 -0.00 0.00 0.41 0.00 0.00 41.25 40.51 2vyr s ASN 84 CO 0.00 -0.46 0.47 -1.20 -1.51 0.00 0.00 177.10 174.40 2vyr n SER 85 N -1.52 -0.97 -4.77 -1.22 7.64 -1.07 -4.65 113.62 107.06 2vyr n SER 85 Ca 0.00 -1.01 -0.39 0.00 1.01 0.00 0.00 58.87 58.48 2vyr n SER 85 Cb 0.60 -3.08 -0.01 0.00 -1.01 0.00 0.00 64.21 60.71 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 -6.91 4.18 0.25 -3.43 1.43 -0.63 -4.62 118.68 108.95 2vyr s LEU 86 Ca 0.07 2.57 0.11 0.00 -1.03 0.00 0.00 54.13 55.85 2vyr s LEU 86 Cb -0.03 -3.96 -0.05 0.00 0.03 0.00 0.00 46.19 42.19 2vyr s LEU 86 CO 0.89 -0.85 -0.16 -0.13 0.23 0.00 0.00 176.35 176.33 2vyr s ARG 87 N -2.30 1.81 0.27 1.70 0.52 -1.26 0.18 118.95 119.86 2vyr s ARG 87 Ca 0.58 -1.60 -0.00 0.00 -0.52 0.00 0.00 55.73 54.19 2vyr s ARG 87 Cb -0.36 -1.90 0.57 0.00 0.52 0.00 0.00 34.95 33.77 2vyr s ARG 87 CO 0.46 0.36 1.75 1.15 0.02 0.00 0.00 175.30 179.04 2vyr h THR 88 N 2.44 0.69 0.00 0.02 2.02 -1.97 0.45 112.91 116.56 2vyr h THR 88 Ca -0.43 -0.20 0.00 0.00 0.77 0.00 0.00 66.41 66.55 2vyr h THR 88 Cb 1.24 0.05 0.00 0.00 -1.74 0.00 0.00 68.15 67.70 2vyr h THR 88 CO 0.57 0.11 0.00 -0.62 0.37 0.00 0.00 175.52 175.95 2vyr n GLU 89 N -4.90 0.80 0.00 6.66 4.71 -1.26 -1.06 120.64 125.59 2vyr n GLU 89 Ca 0.18 0.01 0.15 0.00 -0.01 0.00 0.00 57.16 57.48 2vyr n GLU 89 Cb 0.47 -1.50 0.73 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 -1.04 0.01 -4.69 1.62 10.43 0.15 -4.85 116.55 118.19 2vyr n ASP 90 Ca 0.20 -0.01 -0.43 0.00 2.57 0.00 0.00 54.79 57.11 2vyr n ASP 90 Cb 0.11 -0.33 -0.03 0.00 1.84 0.00 0.00 41.12 42.71 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 -1.33 0.34 -3.61 -3.53 -1.04 -0.23 -4.89 114.28 100.00 2vyr n THR 91 Ca 0.13 -0.06 -0.00 0.00 -2.04 0.00 0.00 64.05 62.07 2vyr n THR 91 Cb 0.26 -2.05 -0.01 0.00 -1.82 0.00 0.00 70.33 66.71 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 2.63 -2.27 -0.05 2.41 0.00 -0.41 -4.32 121.76 119.75 2vyr s ALA 92 Ca 0.82 1.37 -0.24 0.00 0.00 0.00 0.00 51.96 53.91 2vyr s ALA 92 Cb -0.52 -0.03 -0.04 0.00 0.00 0.00 0.00 23.12 22.53 2vyr s ALA 92 CO 0.38 -0.79 0.74 0.08 0.00 0.00 0.00 175.76 176.18 2vyr s VAL 93 N -2.18 5.01 -0.17 0.00 1.01 -0.58 -0.47 120.40 123.02 2vyr s VAL 93 Ca 0.13 1.54 -0.07 0.00 0.00 0.00 0.00 61.98 63.58 2vyr s VAL 93 Cb 0.02 -4.08 -0.04 0.00 0.00 0.00 0.00 36.38 32.28 2vyr s VAL 93 CO -0.04 0.24 0.05 -0.31 0.00 0.00 0.00 175.10 175.04 2vyr s TYR 94 N 0.80 3.24 -0.05 5.22 1.51 -0.20 -0.74 117.35 127.13 2vyr s TYR 94 Ca 0.40 0.08 0.06 0.00 -1.01 0.00 0.00 57.07 56.60 2vyr s TYR 94 Cb -0.18 -2.03 -0.01 0.00 -0.11 0.00 0.00 41.96 39.63 2vyr s TYR 94 CO 0.20 0.21 -0.24 0.71 -1.11 0.00 0.00 175.55 175.32 2vyr s TYR 95 N 0.16 2.29 0.08 2.71 1.51 0.15 -1.40 117.35 122.86 2vyr s TYR 95 Ca 0.04 -0.65 -0.20 0.00 -1.01 0.00 0.00 57.07 55.25 2vyr s TYR 95 Cb -0.12 -1.51 -0.07 0.00 -0.11 0.00 0.00 41.96 40.15 2vyr s TYR 95 CO 0.01 -0.19 0.60 0.00 -1.11 0.00 0.00 175.55 174.86 2vyr s ALA 97 N -1.07 -0.03 -0.23 0.00 0.00 -0.31 -2.18 121.76 117.95 2vyr s ALA 97 Ca 0.30 -0.06 -0.11 0.00 0.00 0.00 0.00 51.96 52.09 2vyr s ALA 97 Cb -0.20 0.00 -0.05 0.00 0.00 0.00 0.00 23.12 22.87 2vyr s ALA 97 CO 0.20 -0.04 0.18 0.21 0.00 0.00 0.00 175.76 176.31 2vyr s LYS 98 N -0.30 4.11 0.65 0.00 2.20 0.53 -1.73 119.74 125.19 2vyr s LYS 98 Ca -0.03 -0.21 -0.13 0.00 -0.36 0.00 0.00 55.97 55.24 2vyr s LYS 98 Cb -0.02 -3.52 -0.02 0.00 -1.51 0.00 0.00 37.83 32.77 2vyr s LYS 98 CO -0.00 0.10 1.05 -1.25 -0.36 0.00 0.00 175.35 174.89 2vyr s PRO 99 N 0.95 3.18 0.20 4.03 0.04 -1.26 -0.03 135.00 142.11 2vyr s PRO 99 Ca 0.09 1.01 -0.07 0.00 0.04 0.00 0.00 61.00 62.07 2vyr s PRO 99 Cb -0.13 -2.02 0.13 0.00 0.04 0.00 0.00 34.50 32.52 2vyr s PRO 99 CO 0.04 -0.91 1.63 2.35 0.04 0.00 0.00 177.00 180.15 2vyr h TRP 100 N -0.23 1.02 -3.28 0.56 2.91 -1.26 -3.41 115.95 112.26 2vyr h TRP 100 Ca -0.45 -0.21 -0.61 0.00 1.13 0.00 0.00 58.89 58.75 2vyr h TRP 100 Cb 1.21 -0.25 -0.16 0.00 -0.51 0.00 0.00 29.16 29.45 2vyr h TRP 100 CO 0.62 0.98 -0.56 0.71 -1.03 0.00 0.00 178.44 179.15 2vyr s TYR 101 N -4.78 3.26 0.62 2.65 2.02 -1.26 -5.00 117.35 114.86 2vyr s TYR 101 Ca -0.10 0.08 0.41 0.00 -0.37 0.00 0.00 57.07 57.09 2vyr s TYR 101 Cb 0.13 -2.08 2.25 0.00 -0.40 0.00 0.00 41.96 41.86 2vyr s TYR 101 CO 0.85 0.16 2.33 -1.35 -1.57 0.00 0.00 175.55 175.97 2vyr h PRO 102 N 6.68 0.00 -0.00 -1.71 0.11 -1.87 -2.18 132.00 133.02 2vyr h PRO 102 Ca -0.37 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.74 2vyr h PRO 102 Cb 1.17 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.28 2vyr h PRO 102 CO 0.71 0.00 -0.59 1.97 -0.21 0.00 0.00 178.00 179.88 2vyr n PHE 103 N -3.25 0.00 -2.83 0.65 1.16 -1.26 -0.14 117.46 111.79 2vyr n PHE 103 Ca -0.03 0.00 -0.42 0.00 -1.87 0.00 0.00 57.45 55.13 2vyr n PHE 103 Cb 0.09 -0.12 -0.04 0.00 -1.61 0.00 0.00 39.48 37.80 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 -2.83 3.87 -0.00 3.97 -1.94 -0.82 -4.85 119.30 116.69 2vyr s MET 104 Ca 0.14 0.59 0.00 0.00 -1.71 0.00 0.00 55.69 54.71 2vyr s MET 104 Cb 0.17 -3.79 -0.01 0.00 2.01 0.00 0.00 34.83 33.22 2vyr s MET 104 CO 0.70 -0.89 0.01 0.00 -0.01 0.00 0.00 175.02 174.82 2vyr n ALA 105 N 6.65 2.02 -1.99 3.03 0.00 -1.26 -4.62 120.51 124.34 2vyr n ALA 105 Ca 0.07 -0.01 -0.22 0.00 0.00 0.00 0.00 53.44 53.27 2vyr n ALA 105 Cb 0.48 -0.01 0.07 0.00 0.00 0.00 0.00 19.45 19.99 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 -1.97 4.81 0.17 0.00 1.04 -1.26 -3.84 113.70 112.65 2vyr s SER 106 Ca -0.00 -0.25 -0.33 0.00 0.48 0.00 0.00 55.95 55.85 2vyr s SER 106 Cb 0.00 -0.36 -0.15 0.00 0.10 0.00 0.00 66.02 65.62 2vyr s SER 106 CO 0.02 -1.51 1.41 1.17 0.98 0.00 0.00 173.24 175.30 2vyr n LYS 107 N -2.58 1.75 -0.10 4.02 4.81 -1.26 -2.07 118.16 122.74 2vyr n LYS 107 Ca 0.12 0.63 0.00 0.00 -0.87 0.00 0.00 58.31 58.19 2vyr n LYS 107 Cb 0.60 -2.29 0.00 0.00 0.02 0.00 0.00 35.03 33.36 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 2.61 0.72 3.65 3.14 0.00 -1.26 -5.04 105.19 109.02 2vyr n GLY 108 Ca 0.15 0.00 -0.47 0.00 0.00 0.00 0.00 46.02 45.70 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 0.00 2.59 -4.68 1.61 7.64 -0.88 -4.89 113.62 115.01 2vyr n SER 109 Ca 0.00 1.11 -0.42 0.00 1.01 0.00 0.00 58.87 60.56 2vyr n SER 109 Cb 0.00 -1.36 -0.03 0.00 -1.01 0.00 0.00 64.21 61.81 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 0.50 4.20 0.52 1.43 2.12 -1.26 -4.97 118.70 121.24 2vyr s GLU 110 Ca 0.78 2.28 -0.18 0.00 0.36 0.00 0.00 54.97 58.21 2vyr s GLU 110 Cb -0.75 -3.70 -0.07 0.00 0.26 0.00 0.00 34.13 29.87 2vyr s GLU 110 CO 0.43 -0.75 1.02 -0.06 -0.54 0.00 0.00 175.26 175.36 2vyr s PHE 111 N 2.98 3.16 -0.08 5.30 2.99 -1.26 -0.98 117.98 130.09 2vyr s PHE 111 Ca 0.73 1.53 -0.07 0.00 0.00 0.00 0.00 56.93 59.12 2vyr s PHE 111 Cb -0.38 -2.94 -0.04 0.00 0.00 0.00 0.00 43.02 39.66 2vyr s PHE 111 CO 0.32 -0.71 -0.16 -3.47 -0.00 0.00 0.00 175.22 171.19 2vyr n ASP 112 N -1.47 1.20 -4.03 1.36 4.64 0.96 -4.40 116.55 114.80 2vyr n ASP 112 Ca 0.08 0.19 -0.11 0.00 -1.38 0.00 0.00 54.79 53.58 2vyr n ASP 112 Cb 0.53 -0.45 -0.11 0.00 -1.04 0.00 0.00 41.12 40.05 2vyr n ASP 112 CO 0.00 0.00 0.00 -0.31 -0.82 0.00 0.00 177.20 176.07 2vyr s TYR 113 N -2.32 0.46 0.06 -0.67 1.51 -1.06 -5.01 117.35 110.32 2vyr s TYR 113 Ca -0.15 -0.56 -0.11 0.00 -1.01 0.00 0.00 57.07 55.23 2vyr s TYR 113 Cb 0.04 -0.30 0.01 0.00 -0.11 0.00 0.00 41.96 41.60 2vyr s TYR 113 CO 0.21 -0.16 0.24 1.67 -1.11 0.00 0.00 175.55 176.40 2vyr s TRP 114 N -1.66 0.02 0.51 2.71 -2.14 -1.26 -0.34 118.94 116.77 2vyr s TRP 114 Ca -0.11 -0.27 -0.03 0.00 2.66 0.00 0.00 56.10 58.34 2vyr s TRP 114 Cb -0.08 0.02 0.11 0.00 -3.10 0.00 0.00 33.47 30.41 2vyr s TRP 114 CO -0.01 -0.49 0.69 0.41 -2.66 0.00 0.00 176.95 174.89 2vyr n GLY 115 N 0.42 0.04 0.07 3.67 0.00 -0.93 -4.85 105.19 103.60 2vyr n GLY 115 Ca -0.18 -1.90 0.13 0.00 0.00 0.00 0.00 46.02 44.07 2vyr n GLY 115 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 2vyr n GLN 116 N -2.35 0.17 0.00 1.61 7.27 -1.26 -4.83 117.38 117.99 2vyr n GLN 116 Ca 0.10 0.13 0.00 0.00 0.07 0.00 0.00 57.00 57.30 2vyr n GLN 116 Cb 0.37 -1.69 0.00 0.00 2.41 0.00 0.00 30.24 31.33 2vyr n GLN 116 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 2vyr n GLY 117 N 1.38 0.01 2.95 1.69 0.00 -1.26 -5.01 105.19 104.95 2vyr n GLY 117 Ca 0.06 -1.76 -0.20 0.00 0.00 0.00 0.00 46.02 44.12 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 -2.34 0.64 -0.08 2.61 -1.32 -0.49 -4.79 115.64 109.86 2vyr s THR 118 Ca 0.00 -0.24 -0.28 0.00 -1.21 0.00 0.00 61.69 59.96 2vyr s THR 118 Cb 0.00 -0.61 -0.02 0.00 -1.51 0.00 0.00 72.50 70.36 2vyr s THR 118 CO 0.00 0.22 0.94 -0.22 -2.21 0.00 0.00 174.62 173.35 2vyr s LEU 119 N 0.51 4.28 -0.23 9.08 2.96 -1.26 -1.03 118.68 132.99 2vyr s LEU 119 Ca -0.07 1.48 -0.04 0.00 -0.22 0.00 0.00 54.13 55.27 2vyr s LEU 119 Cb -0.11 -3.46 -0.00 0.00 0.50 0.00 0.00 46.19 43.12 2vyr s LEU 119 CO 0.00 -0.35 -0.03 -0.69 -1.32 0.00 0.00 176.35 173.96 2vyr s VAL 120 N 1.62 3.39 -0.15 1.68 1.01 0.38 -1.76 120.40 126.57 2vyr s VAL 120 Ca 0.47 -0.55 0.00 0.00 0.00 0.00 0.00 61.98 61.89 2vyr s VAL 120 Cb -0.19 -2.58 -0.00 0.00 0.00 0.00 0.00 36.38 33.61 2vyr s VAL 120 CO 0.20 0.37 -0.15 -0.89 0.00 0.00 0.00 175.10 174.63 2vyr s THR 121 N 1.47 2.71 -0.26 3.92 2.01 -0.05 -1.29 115.64 124.16 2vyr s THR 121 Ca 0.05 -0.76 -0.02 0.00 0.31 0.00 0.00 61.69 61.28 2vyr s THR 121 Cb -0.15 -2.14 0.03 0.00 0.01 0.00 0.00 72.50 70.25 2vyr s THR 121 CO -0.03 0.51 -0.05 -0.69 -0.69 0.00 0.00 174.62 173.68 2vyr s VAL 122 N 0.77 2.89 0.15 3.82 1.01 -1.26 -0.72 120.40 127.05 2vyr s VAL 122 Ca -0.06 -1.11 -0.24 0.00 0.00 0.00 0.00 61.98 60.58 2vyr s VAL 122 Cb -0.15 -2.51 0.07 0.00 0.00 0.00 0.00 36.38 33.78 2vyr s VAL 122 CO 0.01 0.13 0.64 -0.94 0.00 0.00 0.00 175.10 174.94 2vyr s SER 123 N 1.31 -0.52 0.00 3.32 1.04 -0.57 -4.40 113.70 113.88 2vyr s SER 123 Ca -0.01 -0.04 0.12 0.00 0.48 0.00 0.00 55.95 56.49 2vyr s SER 123 Cb -0.17 0.58 0.09 0.00 0.10 0.00 0.00 66.02 66.62 2vyr s SER 123 CO -0.04 -0.95 0.88 -1.54 0.98 0.00 0.00 173.24 172.57