#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3lrs s GLU 2 N 0.00 4.34 -0.03 -1.09 8.01 -1.25 -3.95 118.70 124.73 3lrs s GLU 2 Ca 0.00 2.17 -0.17 0.00 0.01 0.00 0.00 54.97 56.98 3lrs s GLU 2 Cb 0.00 -3.15 0.03 0.00 -4.31 0.00 0.00 34.13 26.71 3lrs s GLU 2 CO 0.00 -0.31 0.37 -1.14 0.01 0.00 0.00 175.26 174.20 3lrs s GLN 3 N -0.42 0.71 -0.01 1.61 0.74 -0.43 -4.98 119.66 116.89 3lrs s GLN 3 Ca 0.57 -0.05 0.00 0.00 0.05 0.00 0.00 55.36 55.93 3lrs s GLN 3 Cb -0.39 0.32 0.01 0.00 1.10 0.00 0.00 33.01 34.05 3lrs s GLN 3 CO 0.42 -0.19 0.00 -0.51 -0.55 0.00 0.00 175.29 174.46 3lrs s LEU 4 N -1.16 1.63 -0.05 3.68 1.43 -1.26 -2.01 118.68 120.95 3lrs s LEU 4 Ca -0.12 -0.00 0.00 0.00 -1.03 0.00 0.00 54.13 52.98 3lrs s LEU 4 Cb -0.04 -0.07 0.02 0.00 0.03 0.00 0.00 46.19 46.13 3lrs s LEU 4 CO 0.05 -0.04 -0.02 0.68 0.23 0.00 0.00 176.35 177.24 3lrs s VAL 5 N 0.43 0.42 0.03 -1.59 -7.23 -0.84 -4.04 120.40 107.57 3lrs s VAL 5 Ca -0.04 -0.02 -0.05 0.00 -1.81 0.00 0.00 61.98 60.06 3lrs s VAL 5 Cb -0.06 -0.48 -0.05 0.00 0.56 0.00 0.00 36.38 36.35 3lrs s VAL 5 CO -0.01 0.21 0.26 -1.61 -0.31 0.00 0.00 175.10 173.64 3lrs s GLU 6 N 1.14 3.54 0.33 4.82 8.01 -1.26 -1.67 118.70 133.61 3lrs s GLU 6 Ca -0.08 -0.17 0.02 0.00 0.01 0.00 0.00 54.97 54.75 3lrs s GLU 6 Cb -0.14 -3.04 -0.02 0.00 -4.31 0.00 0.00 34.13 26.63 3lrs s GLU 6 CO -0.01 0.62 0.36 -1.54 0.01 0.00 0.00 175.26 174.70 3lrs s SER 7 N -1.98 1.24 0.00 -0.19 1.04 -0.89 -4.67 113.70 108.25 3lrs s SER 7 Ca 0.31 -1.61 0.00 0.00 0.48 0.00 0.00 55.95 55.13 3lrs s SER 7 Cb -0.13 0.60 0.00 0.00 0.10 0.00 0.00 66.02 66.59 3lrs s SER 7 CO 0.20 -1.16 0.00 0.61 0.98 0.00 0.00 173.24 173.87 3lrs n GLY 8 N -0.58 1.81 1.43 7.32 0.00 -1.26 -1.99 105.19 111.93 3lrs n GLY 8 Ca 0.04 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.93 3lrs n GLY 8 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3lrs n GLY 9 N -1.10 -3.73 0.00 -0.02 0.00 -1.26 -4.84 105.19 94.23 3lrs n GLY 9 Ca 0.00 -1.27 0.00 0.00 0.00 0.00 0.00 46.02 44.75 3lrs n GLY 9 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3lrs n GLY 10 N -2.43 0.62 3.74 -0.02 0.00 -0.36 -4.98 105.19 101.76 3lrs n GLY 10 Ca 0.06 -2.31 -0.40 0.00 0.00 0.00 0.00 46.02 43.36 3lrs n GLY 10 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3lrs s VAL 11 N -0.61 4.32 -0.00 1.61 1.01 -1.26 -1.98 120.40 123.49 3lrs s VAL 11 Ca 0.00 2.03 -0.12 0.00 0.00 0.00 0.00 61.98 63.89 3lrs s VAL 11 Cb 0.00 -4.30 0.02 0.00 0.00 0.00 0.00 36.38 32.09 3lrs s VAL 11 CO 0.00 0.41 0.25 0.68 0.00 0.00 0.00 175.10 176.45 3lrs s VAL 12 N -0.59 0.07 0.27 2.92 -7.23 -0.38 -4.96 120.40 110.51 3lrs s VAL 12 Ca 0.43 -0.57 -0.11 0.00 -1.81 0.00 0.00 61.98 59.93 3lrs s VAL 12 Cb -0.24 -0.59 -0.08 0.00 0.56 0.00 0.00 36.38 36.04 3lrs s VAL 12 CO 0.30 -0.31 0.61 -1.10 -0.31 0.00 0.00 175.10 174.29 3lrs s GLN 13 N -1.45 3.84 0.48 4.82 -0.21 -1.26 -1.96 119.66 123.92 3lrs s GLN 13 Ca -0.13 0.38 -0.24 0.00 0.02 0.00 0.00 55.36 55.39 3lrs s GLN 13 Cb -0.06 -2.57 -0.08 0.00 1.00 0.00 0.00 33.01 31.30 3lrs s GLN 13 CO 0.03 0.25 1.26 -2.30 -2.12 0.00 0.00 175.29 172.41 3lrs n PRO 14 N -0.31 1.75 0.00 2.91 -0.02 -1.26 -1.48 135.00 136.59 3lrs n PRO 14 Ca 0.01 0.63 0.00 0.00 -2.02 0.00 0.00 63.50 62.12 3lrs n PRO 14 Cb 0.53 -2.41 0.00 0.00 -0.02 0.00 0.00 33.50 31.59 3lrs n PRO 14 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3lrs n GLY 15 N 0.85 3.00 3.83 -1.23 0.00 0.07 -4.91 105.19 106.80 3lrs n GLY 15 Ca 0.08 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.80 3lrs n GLY 15 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3lrs s GLY 16 N -1.68 1.63 -0.08 -0.02 0.00 -0.55 -3.61 107.32 103.02 3lrs s GLY 16 Ca 0.00 -0.19 -0.00 0.00 0.00 0.00 0.00 44.72 44.53 3lrs s GLY 16 CO 0.00 0.19 -0.05 -0.45 0.00 0.00 0.00 173.10 172.80 3lrs s SER 17 N -4.03 4.80 0.00 1.64 0.15 -1.26 -2.85 113.70 112.15 3lrs s SER 17 Ca 0.59 -0.00 0.01 0.00 0.70 0.00 0.00 55.95 57.25 3lrs s SER 17 Cb -0.13 -1.33 -0.00 0.00 -1.71 0.00 0.00 66.02 62.85 3lrs s SER 17 CO 0.54 0.34 -0.02 -0.22 1.20 0.00 0.00 173.24 175.08 3lrs s LEU 18 N -0.65 2.01 -0.21 3.45 2.96 -1.26 -4.97 118.68 120.01 3lrs s LEU 18 Ca 0.10 -0.05 0.02 0.00 -0.22 0.00 0.00 54.13 53.97 3lrs s LEU 18 Cb -0.12 -0.08 0.04 0.00 0.50 0.00 0.00 46.19 46.53 3lrs s LEU 18 CO 0.02 0.01 -0.14 -0.60 -1.32 0.00 0.00 176.35 174.31 3lrs s ARG 19 N -0.11 2.48 0.32 1.98 3.52 -1.26 0.19 118.95 126.08 3lrs s ARG 19 Ca -0.00 -0.98 -0.04 0.00 -0.13 0.00 0.00 55.73 54.58 3lrs s ARG 19 Cb -0.01 -2.61 -0.05 0.00 -1.56 0.00 0.00 34.95 30.72 3lrs s ARG 19 CO -0.00 -0.38 0.58 -0.51 -0.81 0.00 0.00 175.30 174.18 3lrs s LEU 20 N 1.27 4.00 0.10 -0.88 1.43 -0.80 -4.71 118.68 119.09 3lrs s LEU 20 Ca -0.01 0.67 0.05 0.00 -1.03 0.00 0.00 54.13 53.81 3lrs s LEU 20 Cb -0.16 -3.52 -0.04 0.00 0.03 0.00 0.00 46.19 42.51 3lrs s LEU 20 CO -0.09 -0.26 -0.12 -0.44 0.23 0.00 0.00 176.35 175.67 3lrs s SER 21 N -3.48 1.65 -0.24 2.29 0.01 -0.84 -1.82 113.70 111.25 3lrs s SER 21 Ca 0.43 -0.79 -0.04 0.00 1.31 0.00 0.00 55.95 56.86 3lrs s SER 21 Cb -0.10 -0.02 0.09 0.00 0.21 0.00 0.00 66.02 66.19 3lrs s SER 21 CO 0.33 -0.20 0.14 0.00 0.41 0.00 0.00 173.24 173.92 3lrs s LEU 23 N 2.16 4.20 -0.11 0.00 0.20 -0.67 -1.10 118.68 123.36 3lrs s LEU 23 Ca 0.07 1.08 -0.03 0.00 0.69 0.00 0.00 54.13 55.93 3lrs s LEU 23 Cb -0.16 -3.10 -0.03 0.00 -0.43 0.00 0.00 46.19 42.46 3lrs s LEU 23 CO -0.25 -0.30 0.03 0.00 -0.29 0.00 0.00 176.35 175.54 3lrs s ALA 24 N 1.78 3.38 0.11 5.97 0.00 -0.61 -1.99 121.76 130.40 3lrs s ALA 24 Ca 0.35 -0.77 -0.03 0.00 0.00 0.00 0.00 51.96 51.52 3lrs s ALA 24 Cb -0.17 -1.61 -0.03 0.00 0.00 0.00 0.00 23.12 21.31 3lrs s ALA 24 CO 0.13 0.53 0.07 -1.54 0.00 0.00 0.00 175.76 174.95 3lrs s SER 25 N -0.70 0.30 0.00 0.00 1.04 -0.85 -4.89 113.70 108.60 3lrs s SER 25 Ca 0.11 -1.08 0.00 0.00 0.48 0.00 0.00 55.95 55.47 3lrs s SER 25 Cb -0.12 0.29 0.00 0.00 0.10 0.00 0.00 66.02 66.30 3lrs s SER 25 CO 0.02 -0.72 0.00 0.61 0.98 0.00 0.00 173.24 174.13 3lrs n GLY 26 N -0.06 0.52 3.69 7.32 0.00 -1.25 -1.31 105.19 114.10 3lrs n GLY 26 Ca -0.08 -0.35 -0.03 0.00 0.00 0.00 0.00 46.02 45.55 3lrs n GLY 26 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 3lrs s PHE 27 N -2.00 -0.15 -0.76 1.61 -0.71 -1.26 -3.74 117.98 110.97 3lrs s PHE 27 Ca 0.00 -0.08 -0.27 0.00 -1.04 0.00 0.00 56.93 55.54 3lrs s PHE 27 Cb 0.00 0.60 0.03 0.00 -1.21 0.00 0.00 43.02 42.44 3lrs s PHE 27 CO 0.00 -0.67 1.35 0.99 -1.34 0.00 0.00 175.22 175.55 3lrs s THR 28 N -3.09 3.71 0.16 -4.49 2.01 -1.26 -4.88 115.64 107.79 3lrs s THR 28 Ca 0.11 0.28 -0.16 0.00 0.31 0.00 0.00 61.69 62.23 3lrs s THR 28 Cb -0.00 -4.85 0.03 0.00 0.01 0.00 0.00 72.50 67.69 3lrs s THR 28 CO -0.01 -1.78 1.76 0.15 -0.69 0.00 0.00 174.62 174.05 3lrs h PHE 29 N 10.42 0.28 0.00 4.92 3.57 -1.94 -2.32 116.94 131.86 3lrs h PHE 29 Ca -0.23 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.29 3lrs h PHE 29 Cb 1.05 -0.07 0.00 0.00 2.79 0.00 0.00 35.95 39.73 3lrs h PHE 29 CO 1.14 0.12 0.00 -2.39 -2.23 0.00 0.00 178.31 174.95 3lrs n HIS 30 N -4.99 0.00 0.62 0.41 1.44 -1.26 -2.39 115.22 109.05 3lrs n HIS 30 Ca 0.02 0.00 0.11 0.00 -2.01 0.00 0.00 57.72 55.84 3lrs n HIS 30 Cb 0.13 -0.05 0.08 0.00 0.12 0.00 0.00 29.99 30.26 3lrs n HIS 30 CO 0.00 0.00 0.00 1.63 -2.81 0.00 0.00 176.34 175.16 3lrs n LYS 31 N -1.05 0.26 -4.40 -1.40 4.76 -0.87 -4.32 118.16 111.14 3lrs n LYS 31 Ca 0.10 0.02 -0.28 0.00 -2.87 0.00 0.00 58.31 55.28 3lrs n LYS 31 Cb 0.06 -1.61 -0.12 0.00 -1.84 0.00 0.00 35.03 31.52 3lrs n LYS 31 CO 0.00 0.00 0.00 0.71 -1.37 0.00 0.00 177.40 176.74 3lrs s TYR 32 N -3.17 2.33 0.73 2.13 2.02 -1.00 -4.84 117.35 115.54 3lrs s TYR 32 Ca 0.05 -0.35 -0.12 0.00 -0.37 0.00 0.00 57.07 56.28 3lrs s TYR 32 Cb 0.14 -1.18 0.03 0.00 -0.40 0.00 0.00 41.96 40.55 3lrs s TYR 32 CO 0.77 0.45 1.09 0.20 -1.57 0.00 0.00 175.55 176.49 3lrs s GLY 33 N -2.49 1.81 -0.02 0.71 0.00 -1.26 -3.71 107.32 102.36 3lrs s GLY 33 Ca 0.19 0.31 0.01 0.00 0.00 0.00 0.00 44.72 45.23 3lrs s GLY 33 CO 0.09 0.65 -0.03 1.06 0.00 0.00 0.00 173.10 174.88 3lrs s MET 34 N -4.69 0.39 0.31 2.90 1.00 -0.80 -1.68 119.30 116.72 3lrs s MET 34 Ca 0.62 -0.07 0.07 0.00 0.00 0.00 0.00 55.69 56.32 3lrs s MET 34 Cb -0.17 -0.45 -0.03 0.00 0.00 0.00 0.00 34.83 34.18 3lrs s MET 34 CO 0.52 -0.01 0.29 -1.01 0.00 0.00 0.00 175.02 174.80 3lrs s HIS 35 N 0.42 3.00 0.00 -0.03 3.76 0.61 -1.86 115.29 121.20 3lrs s HIS 35 Ca -0.04 -0.23 0.08 0.00 -0.15 0.00 0.00 55.06 54.72 3lrs s HIS 35 Cb -0.08 -1.70 -0.02 0.00 1.11 0.00 0.00 32.58 31.89 3lrs s HIS 35 CO -0.01 0.27 -0.26 -1.58 -0.85 0.00 0.00 174.74 172.31 3lrs s TRP 36 N -2.23 2.34 -0.04 1.40 0.52 -0.15 -1.95 118.94 118.82 3lrs s TRP 36 Ca 0.39 -0.42 -0.04 0.00 0.02 0.00 0.00 56.10 56.05 3lrs s TRP 36 Cb -0.07 -1.47 0.01 0.00 -1.15 0.00 0.00 33.47 30.80 3lrs s TRP 36 CO 0.27 0.02 0.12 0.08 0.02 0.00 0.00 176.95 177.45 3lrs s VAL 37 N -0.68 -0.00 0.42 4.03 1.01 -0.83 -1.03 120.40 123.32 3lrs s VAL 37 Ca 0.11 0.02 0.07 0.00 0.00 0.00 0.00 61.98 62.17 3lrs s VAL 37 Cb -0.10 -0.17 -0.07 0.00 0.00 0.00 0.00 36.38 36.04 3lrs s VAL 37 CO 0.00 0.01 0.03 0.00 0.00 0.00 0.00 175.10 175.14 3lrs s ARG 38 N 0.17 2.01 -0.29 2.72 1.70 -0.23 -0.77 118.95 124.26 3lrs s ARG 38 Ca -0.01 -2.09 0.02 0.00 -0.47 0.00 0.00 55.73 53.18 3lrs s ARG 38 Cb -0.02 -1.68 0.18 0.00 -0.57 0.00 0.00 34.95 32.86 3lrs s ARG 38 CO -0.00 -0.08 0.54 -1.14 -1.08 0.00 0.00 175.30 173.54 3lrs s GLN 39 N -3.75 0.52 0.76 3.89 0.74 -0.37 -1.36 119.66 120.08 3lrs s GLN 39 Ca 0.34 0.64 -0.13 0.00 0.05 0.00 0.00 55.36 56.26 3lrs s GLN 39 Cb 0.09 0.19 0.05 0.00 1.10 0.00 0.00 33.01 34.44 3lrs s GLN 39 CO 0.18 -0.86 1.16 0.00 -0.55 0.00 0.00 175.29 175.22 3lrs s ALA 40 N 2.76 2.09 -0.02 1.58 0.00 -1.26 -1.31 121.76 125.60 3lrs s ALA 40 Ca 0.14 0.66 -0.31 0.00 0.00 0.00 0.00 51.96 52.45 3lrs s ALA 40 Cb -0.13 -3.40 -0.09 0.00 0.00 0.00 0.00 23.12 19.50 3lrs s ALA 40 CO -0.24 -1.91 1.99 -2.30 0.00 0.00 0.00 175.76 173.31 3lrs n PRO 41 N -3.07 2.63 -0.98 0.00 -0.02 -1.26 -1.26 135.00 131.03 3lrs n PRO 41 Ca 0.12 0.94 0.00 0.00 -2.02 0.00 0.00 63.50 62.54 3lrs n PRO 41 Cb 0.51 -2.96 0.00 0.00 -0.02 0.00 0.00 33.50 31.03 3lrs n PRO 41 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3lrs n GLY 42 N 4.69 0.84 2.18 -1.23 0.00 -1.26 -5.02 105.19 105.40 3lrs n GLY 42 Ca 0.22 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 46.11 3lrs n GLY 42 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3lrs n LYS 43 N -2.21 0.90 -3.01 1.61 4.76 -0.39 -5.13 118.16 114.69 3lrs n LYS 43 Ca 0.00 -1.86 -0.20 0.00 -2.87 0.00 0.00 58.31 53.39 3lrs n LYS 43 Cb 0.01 0.03 0.01 0.00 -1.84 0.00 0.00 35.03 33.24 3lrs n LYS 43 CO 0.00 0.00 0.00 0.20 -1.37 0.00 0.00 177.40 176.23 3lrs s GLY 44 N -3.28 1.76 0.56 0.72 0.00 -1.26 -4.66 107.32 101.16 3lrs s GLY 44 Ca 0.26 -1.41 -0.21 0.00 0.00 0.00 0.00 44.72 43.37 3lrs s GLY 44 CO 0.17 -1.22 1.26 1.08 0.00 0.00 0.00 173.10 174.39 3lrs s LEU 45 N -4.46 3.79 -0.07 0.66 1.43 -1.26 -4.44 118.68 114.32 3lrs s LEU 45 Ca 0.52 2.54 -0.03 0.00 -1.03 0.00 0.00 54.13 56.13 3lrs s LEU 45 Cb -0.10 -4.42 0.04 0.00 0.03 0.00 0.00 46.19 41.74 3lrs s LEU 45 CO 0.35 -1.51 0.14 -0.70 0.23 0.00 0.00 176.35 174.86 3lrs s GLU 46 N -3.06 0.01 0.35 1.70 2.12 -0.47 -4.98 118.70 114.37 3lrs s GLU 46 Ca 0.73 0.50 -0.29 0.00 0.36 0.00 0.00 54.97 56.27 3lrs s GLU 46 Cb -0.34 -0.31 -0.11 0.00 0.26 0.00 0.00 34.13 33.63 3lrs s GLU 46 CO 0.39 -0.29 1.46 -0.46 -0.54 0.00 0.00 175.26 175.82 3lrs s TRP 47 N 2.11 2.73 -0.10 5.30 -0.00 -1.26 -1.07 118.94 126.65 3lrs s TRP 47 Ca 0.02 1.15 -0.04 0.00 -0.00 0.00 0.00 56.10 57.23 3lrs s TRP 47 Cb -0.12 -3.95 -0.05 0.00 -0.00 0.00 0.00 33.47 29.36 3lrs s TRP 47 CO -0.05 -2.83 -0.12 0.28 -0.00 0.00 0.00 176.95 174.23 3lrs n VAL 48 N 0.92 0.54 -3.58 5.86 0.31 -0.19 -4.70 118.33 117.48 3lrs n VAL 48 Ca 0.02 -0.15 -0.08 0.00 -0.01 0.00 0.00 64.34 64.12 3lrs n VAL 48 Cb 0.40 -1.43 -0.04 0.00 -0.91 0.00 0.00 33.84 31.86 3lrs n VAL 48 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3lrs s ALA 49 N -2.18 -1.97 0.06 3.52 0.00 -1.07 -1.08 121.76 119.05 3lrs s ALA 49 Ca -0.13 1.55 0.05 0.00 0.00 0.00 0.00 51.96 53.43 3lrs s ALA 49 Cb 0.05 -0.56 -0.03 0.00 0.00 0.00 0.00 23.12 22.58 3lrs s ALA 49 CO 0.18 -0.41 -0.14 -1.17 0.00 0.00 0.00 175.76 174.22 3lrs s LEU 50 N -1.50 2.24 0.01 0.00 2.96 0.22 -0.98 118.68 121.62 3lrs s LEU 50 Ca 0.03 -0.55 0.01 0.00 -0.22 0.00 0.00 54.13 53.40 3lrs s LEU 50 Cb -0.01 -0.55 -0.01 0.00 0.50 0.00 0.00 46.19 46.13 3lrs s LEU 50 CO -0.03 -0.03 -0.04 -0.51 -1.32 0.00 0.00 176.35 174.42 3lrs s ILE 51 N -1.11 0.28 0.83 6.68 2.07 -0.78 -1.47 121.20 127.70 3lrs s ILE 51 Ca -0.01 -0.40 -0.12 0.00 -1.41 0.00 0.00 60.65 58.71 3lrs s ILE 51 Cb -0.09 -0.29 0.09 0.00 0.13 0.00 0.00 42.46 42.30 3lrs s ILE 51 CO 0.02 -0.09 1.10 -0.94 -1.91 0.00 0.00 174.94 173.13 3lrs s SER 52 N -0.52 4.20 0.21 4.50 1.04 -0.03 -1.91 113.70 121.19 3lrs s SER 52 Ca -0.03 1.27 -0.12 0.00 0.48 0.00 0.00 55.95 57.55 3lrs s SER 52 Cb -0.04 -1.97 0.28 0.00 0.10 0.00 0.00 66.02 64.39 3lrs s SER 52 CO -0.00 -2.15 1.65 -2.24 0.98 0.00 0.00 173.24 171.47 3lrs h ASP 52 N -1.21 -0.40 -0.07 7.02 3.04 -1.83 0.16 116.42 123.13 3lrs h ASP 52 Ca -0.48 0.17 0.00 0.00 -3.24 0.00 0.00 57.03 53.48 3lrs h ASP 52 Cb 1.28 0.32 0.00 0.00 -1.04 0.00 0.00 39.33 39.89 3lrs h ASP 52 CO 0.59 -0.16 0.00 -0.90 -2.04 0.00 0.00 179.24 176.73 3lrs n ASP 53 N -5.35 1.12 -1.40 4.15 5.68 -1.26 -4.69 116.55 114.80 3lrs n ASP 53 Ca 0.09 -1.50 -0.16 0.00 -0.50 0.00 0.00 54.79 52.72 3lrs n ASP 53 Cb 0.35 -0.04 -0.05 0.00 -1.14 0.00 0.00 41.12 40.24 3lrs n ASP 53 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3lrs n GLY 54 N 1.07 1.09 0.06 6.12 0.00 0.56 -4.87 105.19 109.23 3lrs n GLY 54 Ca 0.18 -0.25 0.03 0.00 0.00 0.00 0.00 46.02 45.98 3lrs n GLY 54 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 3lrs n MET 55 N -2.54 0.66 -4.00 1.61 2.81 -1.26 -4.87 117.12 109.54 3lrs n MET 55 Ca -0.17 -0.07 -0.35 0.00 -1.81 0.00 0.00 57.70 55.30 3lrs n MET 55 Cb 0.56 -1.57 -0.12 0.00 -0.71 0.00 0.00 33.22 31.38 3lrs n MET 55 CO 0.00 0.00 0.00 1.03 1.51 0.00 0.00 175.97 178.51 3lrs s ARG 56 N -3.10 3.72 0.21 0.03 0.52 -1.26 -5.01 118.95 114.06 3lrs s ARG 56 Ca -0.08 -0.47 0.11 0.00 -0.52 0.00 0.00 55.73 54.78 3lrs s ARG 56 Cb 0.10 -3.17 -0.04 0.00 0.52 0.00 0.00 34.95 32.36 3lrs s ARG 56 CO 0.86 0.04 -0.22 0.15 0.02 0.00 0.00 175.30 176.16 3lrs s LYS 57 N 0.97 1.50 -0.12 3.54 1.02 -1.26 -0.85 119.74 124.53 3lrs s LYS 57 Ca 0.03 -1.55 -0.05 0.00 0.02 0.00 0.00 55.97 54.41 3lrs s LYS 57 Cb -0.14 -1.70 0.06 0.00 -0.52 0.00 0.00 37.83 35.52 3lrs s LYS 57 CO 0.02 0.35 0.26 0.71 -0.92 0.00 0.00 175.35 175.78 3lrs s TYR 58 N -1.95 -0.41 -0.03 3.18 2.02 -0.54 -5.00 117.35 114.62 3lrs s TYR 58 Ca 0.22 0.94 0.07 0.00 -0.37 0.00 0.00 57.07 57.93 3lrs s TYR 58 Cb -0.07 -0.02 -0.02 0.00 -0.40 0.00 0.00 41.96 41.45 3lrs s TYR 58 CO 0.10 -0.33 -0.25 -1.01 -1.57 0.00 0.00 175.55 172.49 3lrs s HIS 59 N 2.21 2.27 0.24 2.71 3.76 -1.26 -0.61 115.29 124.61 3lrs s HIS 59 Ca -0.01 -0.48 -0.28 0.00 -0.15 0.00 0.00 55.06 54.14 3lrs s HIS 59 Cb -0.12 -1.47 -0.15 0.00 1.11 0.00 0.00 32.58 31.95 3lrs s HIS 59 CO -0.08 -0.08 0.81 0.45 -0.85 0.00 0.00 174.74 174.99 3lrs n SER 60 N 2.57 0.18 0.23 1.40 2.88 -0.24 -4.85 113.62 115.79 3lrs n SER 60 Ca -0.16 1.16 0.11 0.00 -1.33 0.00 0.00 58.87 58.65 3lrs n SER 60 Cb 0.51 -1.13 0.44 0.00 -0.75 0.00 0.00 64.21 63.29 3lrs n SER 60 CO 0.00 0.00 0.00 0.44 -1.23 0.00 0.00 175.04 174.25 3lrs h ASP 61 N 1.65 0.00 -0.58 -3.46 3.32 -1.94 -3.19 116.42 112.23 3lrs h ASP 61 Ca -0.35 0.00 -0.24 0.00 0.02 0.00 0.00 57.03 56.46 3lrs h ASP 61 Cb 1.38 0.00 -0.14 0.00 0.22 0.00 0.00 39.33 40.79 3lrs h ASP 61 CO 0.60 0.16 0.30 -1.54 -1.72 0.00 0.00 179.24 177.04 3lrs n SER 62 N -3.26 3.70 -0.00 6.45 3.41 -1.26 -3.15 113.62 119.51 3lrs n SER 62 Ca 0.01 -2.93 0.05 0.00 -0.26 0.00 0.00 58.87 55.73 3lrs n SER 62 Cb 0.44 -0.69 -0.06 0.00 -0.26 0.00 0.00 64.21 63.63 3lrs n SER 62 CO 0.00 0.00 0.00 0.23 -0.16 0.00 0.00 175.04 175.11 3lrs n MET 63 N -0.28 3.28 -3.70 4.33 2.81 -1.20 -5.02 117.12 117.33 3lrs n MET 63 Ca 0.33 -0.01 -0.26 0.00 -1.81 0.00 0.00 57.70 55.94 3lrs n MET 63 Cb 1.16 -1.00 0.06 0.00 -0.71 0.00 0.00 33.22 32.73 3lrs n MET 63 CO 0.00 0.00 0.00 0.91 1.51 0.00 0.00 175.97 178.39 3lrs n TRP 64 N -1.32 -2.64 -1.18 2.03 7.02 -1.19 -1.79 117.44 118.37 3lrs n TRP 64 Ca 0.01 0.96 -0.06 0.00 -1.02 0.00 0.00 57.50 57.39 3lrs n TRP 64 Cb 0.17 -4.61 -0.03 0.00 -2.42 0.00 0.00 31.31 24.42 3lrs n TRP 64 CO 0.00 0.00 0.00 0.41 -2.02 0.00 0.00 177.69 176.08 3lrs n GLY 65 N -1.88 0.79 0.15 6.99 0.00 -1.26 -4.89 105.19 105.09 3lrs n GLY 65 Ca 0.02 -0.29 0.03 0.00 0.00 0.00 0.00 46.02 45.78 3lrs n GLY 65 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 3lrs h ARG 66 N 0.21 0.00 -6.37 1.61 3.08 -1.75 -3.45 114.38 107.72 3lrs h ARG 66 Ca -0.12 0.00 -0.62 0.00 0.07 0.00 0.00 59.98 59.31 3lrs h ARG 66 Cb 0.63 0.00 -0.12 0.00 0.08 0.00 0.00 29.97 30.56 3lrs h ARG 66 CO 0.18 0.48 -0.67 0.14 -1.07 0.00 0.00 179.97 179.04 3lrs s VAL 67 N -3.20 3.71 -0.11 2.04 -7.23 -1.26 -4.49 120.40 109.87 3lrs s VAL 67 Ca 0.02 -1.35 -0.02 0.00 -1.81 0.00 0.00 61.98 58.82 3lrs s VAL 67 Cb 0.09 -2.84 0.04 0.00 0.56 0.00 0.00 36.38 34.23 3lrs s VAL 67 CO 0.73 -0.05 0.02 -0.89 -0.31 0.00 0.00 175.10 174.59 3lrs s THR 68 N -1.61 0.34 0.33 5.32 2.01 0.41 -4.96 115.64 117.47 3lrs s THR 68 Ca 0.26 -0.04 -0.11 0.00 0.31 0.00 0.00 61.69 62.11 3lrs s THR 68 Cb -0.10 -0.63 -0.07 0.00 0.01 0.00 0.00 72.50 71.71 3lrs s THR 68 CO 0.18 0.10 0.68 -0.51 -0.69 0.00 0.00 174.62 174.38 3lrs s ILE 69 N 1.97 4.81 0.18 1.82 2.07 -1.26 -0.82 121.20 129.98 3lrs s ILE 69 Ca 0.03 0.62 -0.24 0.00 -1.41 0.00 0.00 60.65 59.65 3lrs s ILE 69 Cb -0.14 -3.67 0.06 0.00 0.13 0.00 0.00 42.46 38.84 3lrs s ILE 69 CO -0.06 -0.30 0.92 -0.94 -1.91 0.00 0.00 174.94 172.66 3lrs s SER 70 N -2.71 -0.18 0.04 4.50 1.04 -1.15 -4.98 113.70 110.26 3lrs s SER 70 Ca 0.50 -0.47 -0.14 0.00 0.48 0.00 0.00 55.95 56.33 3lrs s SER 70 Cb -0.10 0.53 0.02 0.00 0.10 0.00 0.00 66.02 66.57 3lrs s SER 70 CO 0.25 -0.99 0.31 0.00 0.98 0.00 0.00 173.24 173.78 3lrs s ARG 71 N -3.31 0.81 -0.42 4.02 1.70 -1.26 -1.10 118.95 119.39 3lrs s ARG 71 Ca 0.13 -0.49 0.03 0.00 -0.47 0.00 0.00 55.73 54.93 3lrs s ARG 71 Cb -0.02 0.35 0.12 0.00 -0.57 0.00 0.00 34.95 34.83 3lrs s ARG 71 CO 0.03 -0.26 0.17 0.34 -1.08 0.00 0.00 175.30 174.50 3lrs s ASP 72 N -2.04 4.26 0.47 -2.89 -1.08 -0.14 -5.00 116.67 110.25 3lrs s ASP 72 Ca -0.05 -2.47 0.13 0.00 -0.52 0.00 0.00 52.55 49.64 3lrs s ASP 72 Cb -0.01 -1.38 1.08 0.00 -1.46 0.00 0.00 42.92 41.14 3lrs s ASP 72 CO -0.03 -0.31 2.07 0.78 0.52 0.00 0.00 175.17 178.20 3lrs h ASN 73 N 7.12 0.12 0.57 -0.34 2.35 -1.95 0.30 115.58 123.75 3lrs h ASN 73 Ca -0.06 -0.01 -0.07 0.00 -0.55 0.00 0.00 56.30 55.61 3lrs h ASN 73 Cb 0.96 -0.03 -0.01 0.00 0.05 0.00 0.00 38.32 39.28 3lrs h ASN 73 CO 0.56 0.15 -0.34 0.77 -1.65 0.00 0.00 177.43 176.92 3lrs h SER 74 N 0.14 0.00 -0.09 5.81 4.64 -1.95 -2.30 113.55 119.80 3lrs h SER 74 Ca 0.03 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.35 3lrs h SER 74 Cb 0.10 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.19 3lrs h SER 74 CO 0.00 0.34 0.00 0.29 -0.87 0.00 0.00 176.83 176.59 3lrs n LYS 75 N -3.77 2.24 -2.90 4.77 5.02 -0.15 -4.96 118.16 118.41 3lrs n LYS 75 Ca -0.01 -1.82 -0.19 0.00 -2.02 0.00 0.00 58.31 54.27 3lrs n LYS 75 Cb 0.43 -1.47 0.00 0.00 -0.02 0.00 0.00 35.03 33.97 3lrs n LYS 75 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 3lrs n ASN 76 N 1.17 -4.37 -4.35 4.39 4.13 -0.09 -4.85 115.26 111.30 3lrs n ASN 76 Ca 0.16 -0.13 -0.31 0.00 1.68 0.00 0.00 54.58 55.98 3lrs n ASN 76 Cb 0.56 -3.63 -0.15 0.00 -1.54 0.00 0.00 39.78 35.02 3lrs n ASN 76 CO 0.00 0.00 0.00 -0.89 0.28 0.00 0.00 177.26 176.65 3lrs s THR 77 N -2.87 2.22 0.04 3.41 2.01 -0.98 -1.57 115.64 117.90 3lrs s THR 77 Ca 0.21 -1.19 0.02 0.00 0.31 0.00 0.00 61.69 61.04 3lrs s THR 77 Cb -0.10 -1.82 -0.04 0.00 0.01 0.00 0.00 72.50 70.55 3lrs s THR 77 CO 0.26 0.48 0.03 -0.22 -0.69 0.00 0.00 174.62 174.48 3lrs s LEU 78 N -0.92 3.62 0.23 4.42 2.96 -0.26 -0.97 118.68 127.76 3lrs s LEU 78 Ca 0.11 -0.03 0.06 0.00 -0.22 0.00 0.00 54.13 54.06 3lrs s LEU 78 Cb -0.10 -2.20 -0.05 0.00 0.50 0.00 0.00 46.19 44.34 3lrs s LEU 78 CO 0.01 0.23 -0.09 -0.31 -1.32 0.00 0.00 176.35 174.87 3lrs s TYR 79 N -1.22 1.72 -0.25 5.38 2.02 -0.26 0.03 117.35 124.77 3lrs s TYR 79 Ca 0.24 -0.69 -0.04 0.00 -0.37 0.00 0.00 57.07 56.21 3lrs s TYR 79 Cb -0.12 -0.90 0.10 0.00 -0.40 0.00 0.00 41.96 40.64 3lrs s TYR 79 CO 0.15 0.24 0.17 -1.17 -1.57 0.00 0.00 175.55 173.38 3lrs s LEU 80 N -3.34 0.21 -0.11 -1.29 2.96 -0.76 -2.94 118.68 113.41 3lrs s LEU 80 Ca 0.25 -0.81 -0.25 0.00 -0.22 0.00 0.00 54.13 53.10 3lrs s LEU 80 Cb 0.02 -0.01 -0.03 0.00 0.50 0.00 0.00 46.19 46.68 3lrs s LEU 80 CO 0.08 -0.39 0.78 -1.58 -1.32 0.00 0.00 176.35 173.93 3lrs s GLN 81 N 2.21 4.38 0.00 1.98 2.00 0.00 -1.90 119.66 128.33 3lrs s GLN 81 Ca 0.07 0.98 0.00 0.00 -2.00 0.00 0.00 55.36 54.41 3lrs s GLN 81 Cb -0.16 -3.51 0.00 0.00 0.80 0.00 0.00 33.01 30.15 3lrs s GLN 81 CO -0.25 -0.12 0.00 1.19 -0.50 0.00 0.00 175.29 175.61 3lrs n PHE 82 N 4.43 -0.86 -2.64 1.67 3.72 0.13 -0.44 117.46 123.46 3lrs n PHE 82 Ca 0.02 0.00 -0.08 0.00 -0.05 0.00 0.00 57.45 57.34 3lrs n PHE 82 Cb 0.50 0.00 -0.01 0.00 -0.94 0.00 0.00 39.48 39.04 3lrs n PHE 82 CO 0.00 0.00 0.00 0.43 -0.05 0.00 0.00 176.76 177.14 3lrs n SER 82 N -0.86 -2.16 -4.39 4.37 7.64 -1.23 -4.28 113.62 112.71 3lrs n SER 82 Ca 0.00 0.25 -0.43 0.00 1.01 0.00 0.00 58.87 59.71 3lrs n SER 82 Cb 0.00 -1.92 -0.00 0.00 -1.01 0.00 0.00 64.21 61.28 3lrs n SER 82 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 3lrs n LEU 82 N -2.76 -1.20 -4.42 -3.43 4.77 -1.13 -4.50 117.00 104.33 3lrs n LEU 82 Ca -0.04 0.90 -0.20 0.00 -0.03 0.00 0.00 56.01 56.64 3lrs n LEU 82 Cb 0.54 -1.01 -0.10 0.00 -2.33 0.00 0.00 43.42 40.51 3lrs n LEU 82 CO 0.14 -3.36 -0.32 -0.54 -1.33 0.00 0.00 177.39 171.98 3lrs s LYS 83 N -1.29 1.54 0.35 3.23 1.02 -1.26 -0.75 119.74 122.57 3lrs s LYS 83 Ca 0.62 -1.82 0.04 0.00 0.02 0.00 0.00 55.97 54.83 3lrs s LYS 83 Cb -0.66 -0.91 0.68 0.00 -0.52 0.00 0.00 37.83 36.42 3lrs s LYS 83 CO 0.60 -0.09 1.96 0.28 -0.92 0.00 0.00 175.35 177.18 3lrs h VAL 84 N 2.25 1.06 0.00 3.17 2.07 -1.90 -2.01 116.25 120.89 3lrs h VAL 84 Ca -0.40 -0.29 0.00 0.00 0.82 0.00 0.00 66.70 66.84 3lrs h VAL 84 Cb 1.23 0.15 0.00 0.00 -1.52 0.00 0.00 31.29 31.16 3lrs h VAL 84 CO 0.68 0.15 0.00 -0.62 0.02 0.00 0.00 177.57 177.80 3lrs n GLU 85 N -4.47 0.53 0.00 1.57 4.71 -1.26 -2.56 120.64 119.16 3lrs n GLU 85 Ca 0.10 0.04 0.13 0.00 -0.01 0.00 0.00 57.16 57.42 3lrs n GLU 85 Cb 0.19 -1.50 0.41 0.00 -1.01 0.00 0.00 31.44 29.53 3lrs n GLU 85 CO 0.00 0.00 0.00 -0.25 0.09 0.00 0.00 177.13 176.97 3lrs n ASP 86 N -1.12 0.97 -4.53 1.62 8.00 -0.75 -4.88 116.55 115.86 3lrs n ASP 86 Ca 0.14 -0.88 -0.50 0.00 0.71 0.00 0.00 54.79 54.26 3lrs n ASP 86 Cb 0.11 0.10 -0.06 0.00 -0.02 0.00 0.00 41.12 41.25 3lrs n ASP 86 CO 0.00 0.00 0.00 0.41 -0.39 0.00 0.00 177.20 177.22 3lrs n THR 87 N -0.65 0.28 -3.67 -3.53 -1.04 -1.06 -4.90 114.28 99.71 3lrs n THR 87 Ca 0.13 -0.23 -0.08 0.00 -2.04 0.00 0.00 64.05 61.83 3lrs n THR 87 Cb 0.34 -1.74 -0.02 0.00 -1.82 0.00 0.00 70.33 67.09 3lrs n THR 87 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 3lrs s ALA 88 N 6.49 -1.49 0.13 2.41 0.00 -0.57 -4.38 121.76 124.36 3lrs s ALA 88 Ca 1.05 0.17 -0.28 0.00 0.00 0.00 0.00 51.96 52.89 3lrs s ALA 88 Cb -0.80 0.76 -0.07 0.00 0.00 0.00 0.00 23.12 23.02 3lrs s ALA 88 CO 0.50 -0.92 0.88 1.41 0.00 0.00 0.00 175.76 177.62 3lrs s MET 89 N -3.64 4.66 -0.16 0.00 -2.45 -0.43 -0.68 119.30 116.60 3lrs s MET 89 Ca 0.08 1.31 0.01 0.00 -1.25 0.00 0.00 55.69 55.84 3lrs s MET 89 Cb -0.03 -3.33 0.01 0.00 1.25 0.00 0.00 34.83 32.72 3lrs s MET 89 CO -0.02 0.35 -0.18 -0.06 1.05 0.00 0.00 175.02 176.17 3lrs s PHE 90 N -0.45 2.76 -0.02 4.11 0.08 -0.87 -1.23 117.98 122.35 3lrs s PHE 90 Ca 0.42 -1.26 0.01 0.00 0.12 0.00 0.00 56.93 56.21 3lrs s PHE 90 Cb -0.23 -1.89 -0.04 0.00 -0.57 0.00 0.00 43.02 40.30 3lrs s PHE 90 CO 0.28 -0.60 0.01 -0.06 -0.10 0.00 0.00 175.22 174.75 3lrs s PHE 91 N 0.96 3.12 -0.02 0.36 0.08 0.05 -1.94 117.98 120.58 3lrs s PHE 91 Ca -0.03 0.12 -0.07 0.00 0.12 0.00 0.00 56.93 57.07 3lrs s PHE 91 Cb -0.15 -1.70 -0.05 0.00 -0.57 0.00 0.00 43.02 40.55 3lrs s PHE 91 CO -0.04 0.47 0.24 0.00 -0.10 0.00 0.00 175.22 175.80 3lrs s ALA 93 N -1.22 -1.07 0.11 0.00 0.00 -0.82 -2.02 121.76 116.73 3lrs s ALA 93 Ca 0.24 1.30 -0.25 0.00 0.00 0.00 0.00 51.96 53.25 3lrs s ALA 93 Cb -0.13 -0.77 -0.07 0.00 0.00 0.00 0.00 23.12 22.15 3lrs s ALA 93 CO 0.13 -0.22 0.78 0.50 0.00 0.00 0.00 175.76 176.95 3lrs s ARG 94 N 0.52 4.54 -0.38 0.00 3.52 0.65 -0.28 118.95 127.51 3lrs s ARG 94 Ca -0.02 1.13 -0.29 0.00 -0.13 0.00 0.00 55.73 56.41 3lrs s ARG 94 Cb -0.04 -3.31 0.01 0.00 -1.56 0.00 0.00 34.95 30.04 3lrs s ARG 94 CO -0.03 0.44 1.40 -2.00 -0.81 0.00 0.00 175.30 174.30 3lrs s GLU 95 N -0.64 3.65 0.51 5.12 2.56 -0.68 -2.08 118.70 127.15 3lrs s GLU 95 Ca 0.37 1.03 -0.20 0.00 0.00 0.00 0.00 54.97 56.18 3lrs s GLU 95 Cb -0.22 -4.00 -0.10 0.00 2.00 0.00 0.00 34.13 31.81 3lrs s GLU 95 CO 0.25 -1.46 0.49 0.00 -0.56 0.00 0.00 175.26 173.98 3lrs n ALA 96 N 8.56 -1.37 0.00 6.30 0.00 0.17 -4.34 120.51 129.83 3lrs n ALA 96 Ca 0.16 0.04 0.00 0.00 0.00 0.00 0.00 53.44 53.64 3lrs n ALA 96 Cb 0.48 -1.78 0.00 0.00 0.00 0.00 0.00 19.45 18.14 3lrs n ALA 96 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3lrs n GLY 97 N 1.83 1.36 0.00 0.00 0.00 -1.26 -1.28 105.19 105.83 3lrs n GLY 97 Ca 0.11 -0.29 0.00 0.00 0.00 0.00 0.00 46.02 45.84 3lrs n GLY 97 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3lrs n GLY 98 N -0.15 1.91 3.73 -0.02 0.00 -1.07 -4.90 105.19 104.69 3lrs n GLY 98 Ca 0.00 -0.92 -0.41 0.00 0.00 0.00 0.00 46.02 44.69 3lrs n GLY 98 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 3lrs s PRO 99 N -1.37 4.66 0.00 1.61 0.02 -1.26 -1.42 135.00 137.24 3lrs s PRO 99 Ca 0.00 1.42 0.00 0.00 0.02 0.00 0.00 61.00 62.44 3lrs s PRO 99 Cb 0.00 -3.39 0.00 0.00 0.02 0.00 0.00 34.50 31.13 3lrs s PRO 99 CO 0.00 0.17 0.00 1.51 -0.33 0.00 0.00 177.00 178.35 3lrs n ILE 100 N 3.00 0.00 -0.05 2.83 0.13 -1.26 -4.99 119.36 119.01 3lrs n ILE 100 Ca 0.03 0.00 0.05 0.00 -1.10 0.00 0.00 62.75 61.72 3lrs n ILE 100 Cb 0.50 0.00 0.08 0.00 -0.84 0.00 0.00 39.64 39.38 3lrs n ILE 100 CO 0.00 0.00 0.00 -3.20 2.80 0.00 0.00 176.55 176.15 3lrs n ASN 100 N 0.00 0.03 -0.08 9.51 2.85 -1.26 -5.04 115.26 121.28 3lrs n ASN 100 Ca 0.00 0.19 -0.08 0.00 -0.11 0.00 0.00 54.58 54.57 3lrs n ASN 100 Cb 0.00 -0.09 -0.02 0.00 1.24 0.00 0.00 39.78 40.91 3lrs n ASN 100 CO 0.00 0.00 0.00 -2.24 -2.11 0.00 0.00 177.26 172.91 3lrs h ASP 100 N 0.00 -1.02 0.00 1.20 2.03 -2.06 -3.52 116.42 113.05 3lrs h ASP 100 Ca 0.11 0.17 0.00 0.00 -0.73 0.00 0.00 57.03 56.58 3lrs h ASP 100 Cb 0.34 0.47 0.00 0.00 -0.83 0.00 0.00 39.33 39.31 3lrs h ASP 100 CO -0.07 -0.33 0.00 0.61 -1.03 0.00 0.00 179.24 178.42 3lrs n GLY 100 N -1.41 -1.10 3.32 7.15 0.00 -1.26 -5.24 105.19 106.64 3lrs n GLY 100 Ca -0.00 -0.92 -0.13 0.00 0.00 0.00 0.00 46.02 44.96 3lrs n GLY 100 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3lrs s TYR 100 N -3.00 -0.44 0.39 1.61 2.02 -0.51 -4.66 117.35 112.76 3lrs s TYR 100 Ca 0.00 1.04 -0.26 0.00 -0.37 0.00 0.00 57.07 57.48 3lrs s TYR 100 Cb 0.00 0.16 -0.09 0.00 -0.40 0.00 0.00 41.96 41.63 3lrs s TYR 100 CO 0.00 -0.26 1.18 -0.80 -1.57 0.00 0.00 175.55 174.10 3lrs s ASN 100 N -0.01 6.59 0.00 2.29 0.01 -1.26 -2.61 114.94 119.96 3lrs s ASN 100 Ca -0.02 2.37 0.18 0.00 -0.71 0.00 0.00 52.86 54.69 3lrs s ASN 100 Cb -0.03 -2.62 -0.06 0.00 0.41 0.00 0.00 41.25 38.95 3lrs s ASN 100 CO 0.01 -0.63 0.89 -1.22 -1.51 0.00 0.00 177.10 174.64 3lrs n TYR 100 N 0.21 0.00 -2.92 2.20 0.53 -0.41 -4.93 117.16 111.84 3lrs n TYR 100 Ca 0.04 0.00 -0.10 0.00 -1.02 0.00 0.00 57.90 56.82 3lrs n TYR 100 Cb 0.46 0.00 0.03 0.00 -1.03 0.00 0.00 39.34 38.80 3lrs n TYR 100 CO 0.00 0.00 0.00 0.72 -1.02 0.00 0.00 176.86 176.56 3lrs n HIS 100 N -0.47 -1.19 -3.87 -0.72 8.25 -1.26 -5.01 115.22 110.95 3lrs n HIS 100 Ca 0.06 0.43 -0.08 0.00 -0.26 0.00 0.00 57.72 57.87 3lrs n HIS 100 Cb 0.35 -2.79 -0.03 0.00 1.12 0.00 0.00 29.99 28.65 3lrs n HIS 100 CO 0.00 0.00 0.00 1.52 0.64 0.00 0.00 176.34 178.50 3lrs s TYR 100 N -3.14 -0.04 -0.44 4.41 -0.85 -1.26 -5.06 117.35 110.98 3lrs s TYR 100 Ca 0.22 -0.37 -0.09 0.00 -0.52 0.00 0.00 57.07 56.30 3lrs s TYR 100 Cb -0.10 0.52 0.09 0.00 0.38 0.00 0.00 41.96 42.85 3lrs s TYR 100 CO 0.31 -1.11 0.29 -1.64 -1.52 0.00 0.00 175.55 171.88 3lrs s MET 100 N -3.94 2.58 0.12 -3.49 -1.94 -1.26 -0.65 119.30 110.72 3lrs s MET 100 Ca 0.14 -1.56 0.18 0.00 -1.71 0.00 0.00 55.69 52.73 3lrs s MET 100 Cb -0.04 -3.84 -0.08 0.00 2.01 0.00 0.00 34.83 32.88 3lrs s MET 100 CO 0.06 -1.04 0.97 0.38 -0.01 0.00 0.00 175.02 175.37 3lrs h ASP 101 N 8.44 0.00 -3.77 3.03 2.03 -1.76 -3.47 116.42 120.92 3lrs h ASP 101 Ca -0.22 0.00 -0.59 0.00 -0.73 0.00 0.00 57.03 55.49 3lrs h ASP 101 Cb 1.08 0.00 -0.32 0.00 -0.83 0.00 0.00 39.33 39.26 3lrs h ASP 101 CO 0.80 0.46 -0.85 -0.69 -1.03 0.00 0.00 179.24 177.93 3lrs s VAL 102 N -3.01 1.55 -0.03 4.15 1.01 -1.25 -4.98 120.40 117.85 3lrs s VAL 102 Ca -0.01 -0.77 0.03 0.00 0.00 0.00 0.00 61.98 61.23 3lrs s VAL 102 Cb 0.09 -1.34 -0.00 0.00 0.00 0.00 0.00 36.38 35.13 3lrs s VAL 102 CO 0.80 0.44 -0.11 0.26 0.00 0.00 0.00 175.10 176.49 3lrs s TRP 103 N 0.15 1.12 0.97 5.22 0.52 -1.26 -0.26 118.94 125.39 3lrs s TRP 103 Ca -0.07 -0.28 -0.13 0.00 0.02 0.00 0.00 56.10 55.64 3lrs s TRP 103 Cb -0.13 -0.77 0.17 0.00 -1.15 0.00 0.00 33.47 31.59 3lrs s TRP 103 CO 0.04 -0.09 1.14 0.20 0.02 0.00 0.00 176.95 178.25 3lrs s GLY 104 N 0.07 1.59 0.77 0.98 0.00 -0.86 -4.64 107.32 105.24 3lrs s GLY 104 Ca -0.02 -0.61 -0.12 0.00 0.00 0.00 0.00 44.72 43.97 3lrs s GLY 104 CO 0.01 0.02 1.05 1.17 0.00 0.00 0.00 173.10 175.35 3lrs n LYS 105 N -3.96 -0.96 -1.59 2.90 3.00 -1.26 -4.73 118.16 111.57 3lrs n LYS 105 Ca 0.08 -1.70 -0.12 0.00 -0.00 0.00 0.00 58.31 56.56 3lrs n LYS 105 Cb 0.59 -1.06 0.07 0.00 0.00 0.00 0.00 35.03 34.63 3lrs n LYS 105 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 3lrs n GLY 106 N -1.95 0.56 2.80 3.14 0.00 -1.26 -4.46 105.19 104.01 3lrs n GLY 106 Ca 0.13 -1.97 -0.23 0.00 0.00 0.00 0.00 46.02 43.95 3lrs n GLY 106 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 3lrs s THR 107 N -1.57 0.48 0.49 2.61 -1.32 -0.82 -4.59 115.64 110.92 3lrs s THR 107 Ca 0.35 0.04 -0.22 0.00 -1.21 0.00 0.00 61.69 60.66 3lrs s THR 107 Cb -0.02 -0.61 -0.07 0.00 -1.51 0.00 0.00 72.50 70.29 3lrs s THR 107 CO 0.23 0.27 1.14 -0.89 -2.21 0.00 0.00 174.62 173.17 3lrs s THR 108 N 1.85 3.20 -0.06 5.08 2.01 -1.26 -2.06 115.64 124.40 3lrs s THR 108 Ca 0.04 0.84 0.01 0.00 0.31 0.00 0.00 61.69 62.88 3lrs s THR 108 Cb -0.12 -3.39 0.02 0.00 0.01 0.00 0.00 72.50 69.01 3lrs s THR 108 CO -0.05 -0.07 -0.06 -0.69 -0.69 0.00 0.00 174.62 173.05 3lrs s VAL 109 N -1.65 0.70 -0.12 3.82 1.01 0.15 -1.22 120.40 123.08 3lrs s VAL 109 Ca 0.67 -0.21 -0.01 0.00 0.00 0.00 0.00 61.98 62.44 3lrs s VAL 109 Cb -0.26 -0.71 0.03 0.00 0.00 0.00 0.00 36.38 35.44 3lrs s VAL 109 CO 0.31 0.27 -0.06 -0.89 0.00 0.00 0.00 175.10 174.72 3lrs s THR 110 N 0.97 0.98 -0.35 3.92 2.01 -0.84 -1.50 115.64 120.83 3lrs s THR 110 Ca -0.10 -0.34 -0.13 0.00 0.31 0.00 0.00 61.69 61.42 3lrs s THR 110 Cb -0.14 -1.06 -0.01 0.00 0.01 0.00 0.00 72.50 71.29 3lrs s THR 110 CO 0.00 0.29 0.25 -0.69 -0.69 0.00 0.00 174.62 173.78 3lrs s VAL 111 N 1.72 5.28 -0.28 3.82 1.01 -1.26 -1.24 120.40 129.44 3lrs s VAL 111 Ca 0.04 -0.27 -0.15 0.00 0.00 0.00 0.00 61.98 61.60 3lrs s VAL 111 Cb -0.13 -3.75 0.09 0.00 0.00 0.00 0.00 36.38 32.59 3lrs s VAL 111 CO -0.08 -0.05 0.68 -0.55 0.00 0.00 0.00 175.10 175.10 3lrs s SER 112 N 1.72 -0.99 -0.01 3.32 0.15 -0.83 -4.64 113.70 112.42 3lrs s SER 112 Ca 0.06 1.53 -0.25 0.00 0.70 0.00 0.00 55.95 58.00 3lrs s SER 112 Cb -0.18 1.58 -0.18 0.00 -1.71 0.00 0.00 66.02 65.54 3lrs s SER 112 CO 0.10 -0.24 1.20 0.77 1.20 0.00 0.00 173.24 176.28 3lrs h SER 113 N 7.21 -0.15 -0.72 5.45 4.64 -1.88 -3.36 113.55 124.74 3lrs h SER 113 Ca -0.27 -0.34 0.14 0.00 -0.47 0.00 0.00 61.79 60.85 3lrs h SER 113 Cb 1.20 0.04 -0.10 0.00 -0.31 0.00 0.00 62.40 63.23 3lrs h SER 113 CO 0.15 0.29 0.25 0.00 -0.87 0.00 0.00 176.83 176.65 3lrs h ALA 114 N 0.15 0.98 0.00 5.18 0.00 -1.96 -3.45 119.26 120.15 3lrs h ALA 114 Ca -0.02 0.13 0.00 0.00 0.00 0.00 0.00 54.91 55.02 3lrs h ALA 114 Cb 0.48 0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.40 3lrs h ALA 114 CO 0.03 -0.25 0.00 -1.13 0.00 0.00 0.00 179.25 177.90 3lrs n SER 115 N -5.05 0.00 -3.51 0.00 3.41 -1.26 -4.72 113.62 102.49 3lrs n SER 115 Ca 0.13 0.00 -0.04 0.00 -0.26 0.00 0.00 58.87 58.70 3lrs n SER 115 Cb 0.41 0.00 -0.06 0.00 -0.26 0.00 0.00 64.21 64.30 3lrs n SER 115 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 3lrs s THR 116 N 0.00 -0.82 -0.06 6.66 2.01 -1.26 -4.36 115.64 117.82 3lrs s THR 116 Ca 0.00 0.05 -0.03 0.00 0.31 0.00 0.00 61.69 62.02 3lrs s THR 116 Cb 0.00 -0.86 0.04 0.00 0.01 0.00 0.00 72.50 71.69 3lrs s THR 116 CO 0.00 0.00 0.13 -0.75 -0.69 0.00 0.00 174.62 173.32 3lrs s LYS 117 N 2.74 0.08 0.48 4.92 2.20 0.71 -4.95 119.74 125.92 3lrs s LYS 117 Ca 0.04 0.36 -0.19 0.00 -0.36 0.00 0.00 55.97 55.82 3lrs s LYS 117 Cb -0.13 -0.19 -0.09 0.00 -1.51 0.00 0.00 37.83 35.91 3lrs s LYS 117 CO -0.17 -0.17 0.99 0.20 -0.36 0.00 0.00 175.35 175.84 3lrs s GLY 118 N 1.20 2.29 1.09 5.54 0.00 -1.26 -1.45 107.32 114.73 3lrs s GLY 118 Ca -0.09 0.37 -0.18 0.00 0.00 0.00 0.00 44.72 44.83 3lrs s GLY 118 CO -0.06 0.66 1.19 -4.14 0.00 0.00 0.00 173.10 170.76 3lrs s PRO 119 N -3.55 -0.38 -0.06 2.90 0.02 -1.26 -4.67 135.00 128.00 3lrs s PRO 119 Ca 0.62 -0.18 -0.01 0.00 0.02 0.00 0.00 61.00 61.45 3lrs s PRO 119 Cb -0.11 -1.71 0.03 0.00 0.02 0.00 0.00 34.50 32.73 3lrs s PRO 119 CO 0.22 -3.13 0.01 -1.12 -0.33 0.00 0.00 177.00 172.65 3lrs s SER 120 N -4.29 1.41 -0.21 2.53 0.01 -0.87 -4.97 113.70 107.31 3lrs s SER 120 Ca 0.72 -0.06 -0.09 0.00 1.31 0.00 0.00 55.95 57.83 3lrs s SER 120 Cb -0.08 -0.39 -0.04 0.00 0.21 0.00 0.00 66.02 65.72 3lrs s SER 120 CO 0.55 -0.19 0.10 -0.69 0.41 0.00 0.00 173.24 173.42 3lrs s VAL 121 N 1.86 4.94 -0.03 3.43 1.01 -1.26 -2.37 120.40 127.99 3lrs s VAL 121 Ca 0.03 0.03 0.05 0.00 0.00 0.00 0.00 61.98 62.08 3lrs s VAL 121 Cb -0.12 -3.26 -0.03 0.00 0.00 0.00 0.00 36.38 32.97 3lrs s VAL 121 CO -0.04 0.41 -0.16 -0.36 0.00 0.00 0.00 175.10 174.94 3lrs s PHE 122 N 0.76 2.64 0.50 5.22 0.08 -0.73 -4.97 117.98 121.48 3lrs s PHE 122 Ca 0.05 -0.20 -0.21 0.00 0.12 0.00 0.00 56.93 56.69 3lrs s PHE 122 Cb -0.13 -1.59 -0.07 0.00 -0.57 0.00 0.00 43.02 40.66 3lrs s PHE 122 CO 0.02 0.17 1.13 -2.14 -0.10 0.00 0.00 175.22 174.31 3lrs s PRO 123 N -0.84 3.58 -0.68 0.24 0.02 -1.26 -1.26 135.00 134.79 3lrs s PRO 123 Ca 0.12 1.65 0.02 0.00 0.02 0.00 0.00 61.00 62.81 3lrs s PRO 123 Cb -0.11 -2.19 0.17 0.00 0.02 0.00 0.00 34.50 32.39 3lrs s PRO 123 CO 0.01 -0.67 0.49 -0.51 -0.33 0.00 0.00 177.00 175.99 3lrs s LEU 124 N -3.42 4.95 0.53 -5.54 1.43 0.94 -4.80 118.68 112.77 3lrs s LEU 124 Ca 0.68 -3.40 -0.22 0.00 -1.03 0.00 0.00 54.13 50.16 3lrs s LEU 124 Cb -0.25 -1.75 -0.05 0.00 0.03 0.00 0.00 46.19 44.17 3lrs s LEU 124 CO 0.29 -0.20 1.28 0.00 0.23 0.00 0.00 176.35 177.95 3lrs s ALA 125 N -0.85 2.82 -0.06 4.21 0.00 -1.26 -1.82 121.76 124.80 3lrs s ALA 125 Ca 0.22 1.17 -0.30 0.00 0.00 0.00 0.00 51.96 53.05 3lrs s ALA 125 Cb -0.14 -3.50 -0.03 0.00 0.00 0.00 0.00 23.12 19.45 3lrs s ALA 125 CO -0.09 -1.14 1.16 -1.25 0.00 0.00 0.00 175.76 174.45 3lrs s PRO 126 N -2.91 4.37 -0.20 0.00 0.04 -1.26 -4.88 135.00 130.15 3lrs s PRO 126 Ca 0.70 1.62 -0.28 0.00 0.04 0.00 0.00 61.00 63.08 3lrs s PRO 126 Cb -0.36 -3.55 0.12 0.00 0.04 0.00 0.00 34.50 30.75 3lrs s PRO 126 CO 0.42 -0.41 0.97 0.45 0.04 0.00 0.00 177.00 178.46 3lrs s SER 127 N 1.39 -0.45 0.40 6.66 0.15 -1.26 -4.57 113.70 116.02 3lrs s SER 127 Ca 0.54 0.67 0.29 0.00 0.70 0.00 0.00 55.95 58.15 3lrs s SER 127 Cb -0.24 0.61 1.15 0.00 -1.71 0.00 0.00 66.02 65.84 3lrs s SER 127 CO 0.21 -0.29 1.85 0.77 1.20 0.00 0.00 173.24 176.98 3lrs h SER 128 N 3.38 0.00 0.00 5.45 4.64 -2.00 -3.39 113.55 121.62 3lrs h SER 128 Ca -0.24 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.08 3lrs h SER 128 Cb 1.17 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.26 3lrs h SER 128 CO 0.22 0.00 -0.12 0.29 -0.87 0.00 0.00 176.83 176.36 3lrs n LYS 129 N -2.67 0.06 0.17 4.77 5.02 -1.26 -4.94 118.16 119.30 3lrs n LYS 129 Ca 0.02 0.02 0.13 0.00 -2.02 0.00 0.00 58.31 56.46 3lrs n LYS 129 Cb 0.28 -0.58 0.54 0.00 -0.02 0.00 0.00 35.03 35.25 3lrs n LYS 129 CO 0.00 0.00 0.00 0.77 -0.52 0.00 0.00 177.40 177.65 3lrs h SER 130 N -0.12 0.00 -4.89 4.39 0.02 -1.77 -3.40 113.55 107.78 3lrs h SER 130 Ca 0.00 0.00 -0.11 0.00 -0.84 0.00 0.00 61.79 60.84 3lrs h SER 130 Cb 0.12 0.00 -0.03 0.00 0.14 0.00 0.00 62.40 62.63 3lrs h SER 130 CO 0.00 0.00 -0.15 0.35 -1.14 0.00 0.00 176.83 175.89 3lrs n THR 131 N -2.48 -0.18 -0.42 -2.27 -2.24 0.45 -4.78 114.28 102.37 3lrs n THR 131 Ca 0.02 0.00 0.37 0.00 -2.27 0.00 0.00 64.05 62.17 3lrs n THR 131 Cb 0.26 -0.50 0.71 0.00 -2.10 0.00 0.00 70.33 68.70 3lrs n THR 131 CO 0.00 0.00 0.00 0.77 -0.57 0.00 0.00 175.07 175.27 3lrs h SER 132 N -0.09 0.11 -0.02 3.42 4.64 -1.86 -3.26 113.55 116.48 3lrs h SER 132 Ca -0.12 0.04 -0.23 0.00 -0.47 0.00 0.00 61.79 61.01 3lrs h SER 132 Cb 1.08 0.02 -0.15 0.00 -0.31 0.00 0.00 62.40 63.04 3lrs h SER 132 CO 0.15 -0.02 -0.41 0.61 -0.87 0.00 0.00 176.83 176.30 3lrs n GLY 133 N -1.71 0.98 2.27 -0.77 0.00 -1.26 -4.91 105.19 99.79 3lrs n GLY 133 Ca 0.31 -0.07 -0.09 0.00 0.00 0.00 0.00 46.02 46.17 3lrs n GLY 133 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3lrs n GLY 134 N -0.11 1.07 2.80 -0.02 0.00 -1.23 -4.99 105.19 102.72 3lrs n GLY 134 Ca 0.02 -0.62 -0.16 0.00 0.00 0.00 0.00 46.02 45.26 3lrs n GLY 134 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3lrs s THR 135 N -2.33 0.10 -0.04 2.61 2.01 -1.26 -2.70 115.64 114.03 3lrs s THR 135 Ca 0.00 0.13 -0.04 0.00 0.31 0.00 0.00 61.69 62.09 3lrs s THR 135 Cb 0.00 -0.20 -0.04 0.00 0.01 0.00 0.00 72.50 72.27 3lrs s THR 135 CO 0.00 0.12 0.17 0.00 -0.69 0.00 0.00 174.62 174.22 3lrs s ALA 136 N 1.00 3.92 -0.07 7.40 0.00 0.35 -0.41 121.76 133.96 3lrs s ALA 136 Ca -0.09 -0.73 0.01 0.00 0.00 0.00 0.00 51.96 51.15 3lrs s ALA 136 Cb -0.13 -1.90 -0.03 0.00 0.00 0.00 0.00 23.12 21.06 3lrs s ALA 136 CO -0.02 0.71 -0.09 0.00 0.00 0.00 0.00 175.76 176.36 3lrs s ALA 137 N -1.24 2.89 0.00 0.00 0.00 -1.26 -1.19 121.76 120.95 3lrs s ALA 137 Ca 0.24 -0.91 -0.25 0.00 0.00 0.00 0.00 51.96 51.03 3lrs s ALA 137 Cb -0.12 -1.17 0.06 0.00 0.00 0.00 0.00 23.12 21.89 3lrs s ALA 137 CO 0.15 0.55 0.57 -0.48 0.00 0.00 0.00 175.76 176.55 3lrs s LEU 138 N -0.72 -0.26 0.00 0.00 0.05 -0.91 -4.15 118.68 112.70 3lrs s LEU 138 Ca 0.11 0.40 0.00 0.00 0.05 0.00 0.00 54.13 54.68 3lrs s LEU 138 Cb -0.11 2.24 0.00 0.00 -2.05 0.00 0.00 46.19 46.27 3lrs s LEU 138 CO 0.01 -0.66 0.00 0.61 -0.55 0.00 0.00 176.35 175.77 3lrs n GLY 139 N 0.68 1.97 2.91 -3.48 0.00 -0.76 -0.96 105.19 105.56 3lrs n GLY 139 Ca -0.19 -0.69 -0.16 0.00 0.00 0.00 0.00 46.02 44.98 3lrs n GLY 139 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3lrs s LEU 141 N 0.23 4.17 -0.71 0.00 2.96 -0.39 -1.71 118.68 123.23 3lrs s LEU 141 Ca -0.02 -0.31 -0.11 0.00 -0.22 0.00 0.00 54.13 53.47 3lrs s LEU 141 Cb -0.05 -2.08 0.19 0.00 0.50 0.00 0.00 46.19 44.74 3lrs s LEU 141 CO -0.00 -0.15 0.62 -0.69 -1.32 0.00 0.00 176.35 174.80 3lrs s VAL 142 N 1.70 5.02 0.14 1.68 1.01 -0.60 -1.77 120.40 127.58 3lrs s VAL 142 Ca 0.06 -2.38 0.05 0.00 0.00 0.00 0.00 61.98 59.71 3lrs s VAL 142 Cb -0.17 -4.16 -0.04 0.00 0.00 0.00 0.00 36.38 32.01 3lrs s VAL 142 CO 0.09 -0.95 0.09 -1.59 0.00 0.00 0.00 175.10 172.74 3lrs s LYS 143 N 0.42 2.79 -0.57 2.72 -2.85 -1.00 -1.93 119.74 119.33 3lrs s LYS 143 Ca 0.15 -0.87 -0.11 0.00 -1.00 0.00 0.00 55.97 54.14 3lrs s LYS 143 Cb -0.16 -2.61 0.01 0.00 -2.06 0.00 0.00 37.83 33.01 3lrs s LYS 143 CO -0.05 0.50 0.64 -0.25 0.10 0.00 0.00 175.35 176.29 3lrs n ASP 144 N -0.09 -7.48 -3.97 0.03 8.00 -0.34 -2.05 116.55 110.65 3lrs n ASP 144 Ca -0.09 0.15 -0.09 0.00 0.71 0.00 0.00 54.79 55.48 3lrs n ASP 144 Cb 0.54 -4.79 -0.10 0.00 -0.02 0.00 0.00 41.12 36.75 3lrs n ASP 144 CO 0.00 0.00 0.00 -0.72 -0.39 0.00 0.00 177.20 176.09 3lrs s TYR 145 N -2.68 0.27 -0.28 1.24 -0.85 -0.81 -4.15 117.35 110.10 3lrs s TYR 145 Ca 0.15 -0.62 -0.20 0.00 -0.52 0.00 0.00 57.07 55.88 3lrs s TYR 145 Cb -0.04 -0.20 0.09 0.00 0.38 0.00 0.00 41.96 42.20 3lrs s TYR 145 CO 0.78 -0.34 0.80 0.12 -1.52 0.00 0.00 175.55 175.39 3lrs s PHE 146 N -2.66 -0.82 0.41 -3.49 5.36 -0.53 -0.89 117.98 115.36 3lrs s PHE 146 Ca -0.05 1.77 0.03 0.00 -0.96 0.00 0.00 56.93 57.72 3lrs s PHE 146 Cb -0.01 0.44 0.08 0.00 -0.34 0.00 0.00 43.02 43.18 3lrs s PHE 146 CO -0.05 -0.40 0.56 -0.35 -1.46 0.00 0.00 175.22 173.52 3lrs n PRO 147 N 3.40 0.46 -1.38 10.12 -0.05 -1.26 -0.20 135.00 146.09 3lrs n PRO 147 Ca -0.17 -1.83 -0.37 0.00 -0.05 0.00 0.00 63.50 61.09 3lrs n PRO 147 Cb 0.57 -0.28 0.07 0.00 -0.05 0.00 0.00 33.50 33.80 3lrs n PRO 147 CO 0.00 0.00 0.00 -1.91 -0.05 0.00 0.00 175.50 173.54 3lrs n GLU 148 N -1.97 0.47 -3.96 0.54 4.07 -1.26 -4.72 120.64 113.81 3lrs n GLU 148 Ca 0.10 0.20 -0.26 0.00 -0.06 0.00 0.00 57.16 57.15 3lrs n GLU 148 Cb 0.37 -1.96 -0.02 0.00 -0.06 0.00 0.00 31.44 29.77 3lrs n GLU 148 CO 0.00 0.00 0.00 -1.25 -0.06 0.00 0.00 177.13 175.82 3lrs s PRO 149 N -2.79 2.27 0.04 5.31 0.05 -1.26 -4.96 135.00 133.68 3lrs s PRO 149 Ca 0.70 -1.98 0.04 0.00 0.05 0.00 0.00 61.00 59.81 3lrs s PRO 149 Cb -0.37 -2.07 -0.02 0.00 0.05 0.00 0.00 34.50 32.09 3lrs s PRO 149 CO 0.54 -0.49 -0.13 0.08 0.05 0.00 0.00 177.00 177.05 3lrs s VAL 150 N -2.73 1.01 -0.02 -0.36 1.01 -1.26 -4.48 120.40 113.58 3lrs s VAL 150 Ca 0.34 -1.04 0.05 0.00 0.00 0.00 0.00 61.98 61.33 3lrs s VAL 150 Cb -0.01 -0.94 -0.03 0.00 0.00 0.00 0.00 36.38 35.40 3lrs s VAL 150 CO 0.21 -0.08 -0.16 -0.89 0.00 0.00 0.00 175.10 174.17 3lrs s THR 151 N -0.97 2.89 -0.04 3.92 2.01 -0.07 -4.98 115.64 118.41 3lrs s THR 151 Ca -0.00 -0.90 0.01 0.00 0.31 0.00 0.00 61.69 61.10 3lrs s THR 151 Cb -0.08 -2.15 0.02 0.00 0.01 0.00 0.00 72.50 70.30 3lrs s THR 151 CO 0.01 0.51 -0.02 -0.69 -0.69 0.00 0.00 174.62 173.74 3lrs s VAL 152 N -0.78 0.37 0.35 3.82 1.01 -1.26 -1.02 120.40 122.89 3lrs s VAL 152 Ca 0.12 -0.03 0.03 0.00 0.00 0.00 0.00 61.98 62.11 3lrs s VAL 152 Cb -0.11 -0.43 -0.04 0.00 0.00 0.00 0.00 36.38 35.80 3lrs s VAL 152 CO 0.02 0.19 0.10 -0.94 0.00 0.00 0.00 175.10 174.47 3lrs s SER 153 N 0.97 2.37 -0.09 3.32 1.04 -0.66 -4.96 113.70 115.70 3lrs s SER 153 Ca -0.10 -1.51 0.03 0.00 0.48 0.00 0.00 55.95 54.84 3lrs s SER 153 Cb -0.14 0.22 0.01 0.00 0.10 0.00 0.00 66.02 66.21 3lrs s SER 153 CO -0.01 -0.77 -0.17 0.26 0.98 0.00 0.00 173.24 173.53 3lrs s TRP 154 N -3.33 1.94 -1.53 5.02 0.52 -1.26 -0.88 118.94 119.41 3lrs s TRP 154 Ca 0.31 -0.80 -0.04 0.00 0.02 0.00 0.00 56.10 55.59 3lrs s TRP 154 Cb 0.06 -1.36 0.01 0.00 -1.15 0.00 0.00 33.47 31.03 3lrs s TRP 154 CO 0.15 -0.37 0.42 0.09 0.02 0.00 0.00 176.95 177.26 3lrs n ASN 155 N 3.82 -5.58 -1.60 2.95 3.02 0.34 -1.84 115.26 116.37 3lrs n ASN 155 Ca -0.21 -0.21 -0.12 0.00 -0.03 0.00 0.00 54.58 54.01 3lrs n ASN 155 Cb 0.52 -4.56 0.01 0.00 -0.61 0.00 0.00 39.78 35.14 3lrs n ASN 155 CO 0.00 0.00 0.00 -1.20 -2.62 0.00 0.00 177.26 173.44 3lrs n SER 156 N -2.34 -4.01 0.00 6.41 7.64 -1.26 -2.36 113.62 117.70 3lrs n SER 156 Ca -0.13 -0.09 0.00 0.00 1.01 0.00 0.00 58.87 59.66 3lrs n SER 156 Cb 0.62 -3.06 0.00 0.00 -1.01 0.00 0.00 64.21 60.76 3lrs n SER 156 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3lrs n GLY 157 N -1.10 1.49 0.30 0.23 0.00 -0.77 -4.92 105.19 100.41 3lrs n GLY 157 Ca -0.11 0.00 0.16 0.00 0.00 0.00 0.00 46.02 46.07 3lrs n GLY 157 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3lrs h ALA 158 N 0.00 1.46 -3.20 4.61 0.00 -1.20 -3.40 119.26 117.52 3lrs h ALA 158 Ca 0.00 -0.01 -0.65 0.00 0.00 0.00 0.00 54.91 54.25 3lrs h ALA 158 Cb 0.00 -0.00 -0.26 0.00 0.00 0.00 0.00 17.79 17.53 3lrs h ALA 158 CO 0.00 0.01 -0.72 -0.51 0.00 0.00 0.00 179.25 178.03 3lrs s LEU 159 N -7.52 2.94 0.00 0.00 1.43 -0.86 -4.97 118.68 109.70 3lrs s LEU 159 Ca -0.05 -0.29 0.00 0.00 -1.03 0.00 0.00 54.13 52.76 3lrs s LEU 159 Cb 0.15 -1.71 0.00 0.00 0.03 0.00 0.00 46.19 44.66 3lrs s LEU 159 CO 0.54 0.10 0.00 0.35 0.23 0.00 0.00 176.35 177.57 3lrs n THR 160 N 3.96 0.00 -1.75 5.49 -2.24 -1.26 -4.30 114.28 114.19 3lrs n THR 160 Ca -0.18 0.00 -0.42 0.00 -2.27 0.00 0.00 64.05 61.18 3lrs n THR 160 Cb 0.52 -0.97 -0.01 0.00 -2.10 0.00 0.00 70.33 67.77 3lrs n THR 160 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 3lrs n SER 161 N -2.69 3.80 0.00 3.42 7.64 -1.26 -2.63 113.62 121.89 3lrs n SER 161 Ca 0.00 1.16 0.00 0.00 1.01 0.00 0.00 58.87 61.04 3lrs n SER 161 Cb 0.28 -1.59 0.00 0.00 -1.01 0.00 0.00 64.21 61.89 3lrs n SER 161 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3lrs n GLY 162 N 1.94 2.55 3.67 0.23 0.00 -1.26 -4.71 105.19 107.60 3lrs n GLY 162 Ca 0.08 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.67 3lrs n GLY 162 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3lrs s VAL 163 N -2.29 4.16 -0.25 1.61 1.01 -1.08 -2.21 120.40 121.36 3lrs s VAL 163 Ca 0.00 1.45 0.01 0.00 0.00 0.00 0.00 61.98 63.44 3lrs s VAL 163 Cb 0.00 -3.93 0.06 0.00 0.00 0.00 0.00 36.38 32.51 3lrs s VAL 163 CO 0.00 -0.08 -0.06 -2.28 0.00 0.00 0.00 175.10 172.68 3lrs s HIS 164 N 3.07 2.66 -0.67 5.22 2.46 0.11 -5.00 115.29 123.14 3lrs s HIS 164 Ca 0.57 -1.95 -0.13 0.00 0.47 0.00 0.00 55.06 54.02 3lrs s HIS 164 Cb -0.24 -1.72 0.17 0.00 -0.13 0.00 0.00 32.58 30.66 3lrs s HIS 164 CO 0.19 -0.81 0.60 0.99 -2.47 0.00 0.00 174.74 173.24 3lrs s THR 165 N 1.31 5.18 0.53 0.89 2.01 -1.26 -1.85 115.64 122.44 3lrs s THR 165 Ca -0.06 -2.09 -0.22 0.00 0.31 0.00 0.00 61.69 59.64 3lrs s THR 165 Cb -0.19 -4.27 -0.05 0.00 0.01 0.00 0.00 72.50 68.00 3lrs s THR 165 CO -0.06 -0.93 1.29 -0.36 -0.69 0.00 0.00 174.62 173.87 3lrs s PHE 166 N 0.78 2.43 0.77 4.92 0.40 -0.40 -4.97 117.98 121.91 3lrs s PHE 166 Ca 0.11 1.43 -0.15 0.00 -0.60 0.00 0.00 56.93 57.73 3lrs s PHE 166 Cb -0.20 -3.66 0.04 0.00 0.51 0.00 0.00 43.02 39.71 3lrs s PHE 166 CO -0.03 -2.49 1.02 -2.30 0.70 0.00 0.00 175.22 172.11 3lrs n PRO 167 N -0.99 0.33 -0.12 0.24 -0.02 -1.26 -4.08 135.00 129.11 3lrs n PRO 167 Ca 0.10 0.18 -0.03 0.00 -2.02 0.00 0.00 63.50 61.72 3lrs n PRO 167 Cb 0.46 -2.28 0.03 0.00 -0.02 0.00 0.00 33.50 31.69 3lrs n PRO 167 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3lrs n ALA 168 N -2.88 -0.39 -3.61 3.55 0.00 -1.26 -4.70 120.51 111.22 3lrs n ALA 168 Ca 0.13 -0.19 -0.03 0.00 0.00 0.00 0.00 53.44 53.35 3lrs n ALA 168 Cb 0.50 -0.01 -0.05 0.00 0.00 0.00 0.00 19.45 19.88 3lrs n ALA 168 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 3lrs s VAL 169 N -1.23 -0.48 -0.88 0.00 0.11 -0.70 -4.94 120.40 112.27 3lrs s VAL 169 Ca 0.08 0.00 -0.25 0.00 -2.93 0.00 0.00 61.98 58.88 3lrs s VAL 169 Cb -0.01 -1.00 0.04 0.00 -1.53 0.00 0.00 36.38 33.88 3lrs s VAL 169 CO 0.06 0.00 1.39 -0.22 -3.33 0.00 0.00 175.10 173.00 3lrs s LEU 170 N 2.24 3.34 0.96 2.54 2.96 -1.26 -2.39 118.68 127.07 3lrs s LEU 170 Ca -0.07 -0.96 -0.11 0.00 -0.22 0.00 0.00 54.13 52.77 3lrs s LEU 170 Cb -0.08 -2.56 0.13 0.00 0.50 0.00 0.00 46.19 44.17 3lrs s LEU 170 CO -0.19 -1.69 0.85 0.00 -1.32 0.00 0.00 176.35 174.01 3lrs n GLN 171 N 9.12 -0.67 -0.08 1.98 6.02 0.48 -4.81 117.38 129.42 3lrs n GLN 171 Ca 0.19 -0.14 0.18 0.00 -0.01 0.00 0.00 57.00 57.22 3lrs n GLN 171 Cb 0.50 -2.17 0.61 0.00 1.02 0.00 0.00 30.24 30.20 3lrs n GLN 171 CO 0.00 0.00 0.00 1.03 -1.01 0.00 0.00 177.06 177.08 3lrs h SER 172 N -1.89 0.18 0.01 1.08 0.87 -1.94 -0.44 113.55 111.41 3lrs h SER 172 Ca -0.46 0.01 0.00 0.00 -1.23 0.00 0.00 61.79 60.11 3lrs h SER 172 Cb 1.28 -0.03 0.00 0.00 -0.44 0.00 0.00 62.40 63.22 3lrs h SER 172 CO 0.40 0.09 0.00 -1.54 -0.53 0.00 0.00 176.83 175.25 3lrs n SER 173 N -4.42 0.29 0.00 6.23 3.41 -1.26 -4.80 113.62 113.07 3lrs n SER 173 Ca 0.12 0.63 0.00 0.00 -0.26 0.00 0.00 58.87 59.36 3lrs n SER 173 Cb 0.58 -0.67 0.00 0.00 -0.26 0.00 0.00 64.21 63.86 3lrs n SER 173 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3lrs n GLY 174 N -1.38 0.75 3.23 5.00 0.00 -0.17 -4.95 105.19 107.66 3lrs n GLY 174 Ca -0.01 -0.49 -0.16 0.00 0.00 0.00 0.00 46.02 45.36 3lrs n GLY 174 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3lrs s LEU 175 N 0.00 2.44 0.47 0.99 1.43 -1.24 -4.84 118.68 117.93 3lrs s LEU 175 Ca 0.00 -0.87 -0.03 0.00 -1.03 0.00 0.00 54.13 52.20 3lrs s LEU 175 Cb 0.00 -0.45 -0.02 0.00 0.03 0.00 0.00 46.19 45.75 3lrs s LEU 175 CO 0.00 -0.22 0.74 -0.31 0.23 0.00 0.00 176.35 176.79 3lrs s TYR 176 N -2.54 3.40 -0.21 0.29 1.51 -0.07 -0.39 117.35 119.34 3lrs s TYR 176 Ca 0.11 0.55 -0.19 0.00 -1.01 0.00 0.00 57.07 56.52 3lrs s TYR 176 Cb -0.02 -2.32 0.05 0.00 -0.11 0.00 0.00 41.96 39.56 3lrs s TYR 176 CO 0.02 -0.34 0.56 -1.12 -1.11 0.00 0.00 175.55 173.55 3lrs s SER 177 N -4.16 -0.59 0.27 2.29 0.01 -1.01 -1.19 113.70 109.32 3lrs s SER 177 Ca 0.48 1.13 0.04 0.00 1.31 0.00 0.00 55.95 58.90 3lrs s SER 177 Cb -0.10 1.14 -0.01 0.00 0.21 0.00 0.00 66.02 67.25 3lrs s SER 177 CO 0.42 -0.19 0.14 0.00 0.41 0.00 0.00 173.24 174.01 3lrs n LEU 178 N 2.81 0.00 -3.81 2.44 -0.00 -0.81 -1.72 117.00 115.91 3lrs n LEU 178 Ca -0.14 -2.22 -0.12 0.00 -0.00 0.00 0.00 56.01 53.53 3lrs n LEU 178 Cb 0.56 0.88 -0.12 0.00 -0.00 0.00 0.00 43.42 44.75 3lrs n LEU 178 CO 0.08 -0.35 -0.15 -0.44 -0.00 0.00 0.00 177.39 176.53 3lrs s SER 179 N -2.73 -0.19 -0.01 1.45 0.01 -1.26 -1.56 113.70 109.40 3lrs s SER 179 Ca 0.19 0.36 0.06 0.00 1.31 0.00 0.00 55.95 57.88 3lrs s SER 179 Cb 0.01 0.39 -0.02 0.00 0.21 0.00 0.00 66.02 66.61 3lrs s SER 179 CO 0.14 -0.08 -0.21 -0.55 0.41 0.00 0.00 173.24 172.94 3lrs s SER 180 N 0.03 2.46 0.00 2.44 0.15 -0.70 -1.28 113.70 116.81 3lrs s SER 180 Ca -0.01 -0.38 0.00 0.00 0.70 0.00 0.00 55.95 56.26 3lrs s SER 180 Cb -0.02 -0.27 -0.00 0.00 -1.71 0.00 0.00 66.02 64.02 3lrs s SER 180 CO 0.00 0.26 -0.02 0.68 1.20 0.00 0.00 173.24 175.36 3lrs s VAL 181 N -0.50 0.13 0.07 4.45 -7.23 -0.77 -1.03 120.40 115.52 3lrs s VAL 181 Ca 0.08 -0.15 0.07 0.00 -1.81 0.00 0.00 61.98 60.17 3lrs s VAL 181 Cb -0.08 -0.13 -0.04 0.00 0.56 0.00 0.00 36.38 36.69 3lrs s VAL 181 CO -0.01 -0.01 -0.15 0.54 -0.31 0.00 0.00 175.10 175.16 3lrs s VAL 182 N -0.17 3.02 0.05 1.32 0.11 -0.13 -0.71 120.40 123.89 3lrs s VAL 182 Ca -0.01 -1.26 0.01 0.00 -2.93 0.00 0.00 61.98 57.79 3lrs s VAL 182 Cb -0.01 -2.34 -0.04 0.00 -1.53 0.00 0.00 36.38 32.45 3lrs s VAL 182 CO -0.00 0.22 0.11 -0.89 -3.33 0.00 0.00 175.10 171.21 3lrs s THR 183 N -1.06 4.82 -0.10 5.04 2.01 -0.94 -2.13 115.64 123.29 3lrs s THR 183 Ca 0.17 -0.56 -0.24 0.00 0.31 0.00 0.00 61.69 61.38 3lrs s THR 183 Cb -0.11 -3.30 0.05 0.00 0.01 0.00 0.00 72.50 69.16 3lrs s THR 183 CO 0.09 0.20 0.56 0.68 -0.69 0.00 0.00 174.62 175.45 3lrs s VAL 184 N -1.36 0.01 0.16 3.82 -7.23 -0.34 -4.71 120.40 110.76 3lrs s VAL 184 Ca 0.29 -0.12 -0.33 0.00 -1.81 0.00 0.00 61.98 60.01 3lrs s VAL 184 Cb -0.12 -0.84 -0.16 0.00 0.56 0.00 0.00 36.38 35.81 3lrs s VAL 184 CO 0.21 -0.06 1.11 -2.65 -0.31 0.00 0.00 175.10 173.40 3lrs n PRO 185 N 1.61 1.00 0.19 4.82 -0.02 -1.26 -0.50 135.00 140.83 3lrs n PRO 185 Ca -0.18 0.35 0.04 0.00 -2.02 0.00 0.00 63.50 61.69 3lrs n PRO 185 Cb 0.56 -1.82 0.44 0.00 -0.02 0.00 0.00 33.50 32.67 3lrs n PRO 185 CO 0.00 0.00 0.00 0.77 1.98 0.00 0.00 175.50 178.25 3lrs h SER 186 N 3.15 0.06 0.06 2.55 0.02 -1.84 -2.39 113.55 115.16 3lrs h SER 186 Ca -0.43 -0.01 -0.02 0.00 -0.84 0.00 0.00 61.79 60.49 3lrs h SER 186 Cb 1.36 -0.02 -0.00 0.00 0.14 0.00 0.00 62.40 63.88 3lrs h SER 186 CO 0.69 0.28 -0.07 0.77 -1.14 0.00 0.00 176.83 177.35 3lrs h SER 187 N 0.06 0.03 0.38 3.07 4.64 -1.88 -2.67 113.55 117.17 3lrs h SER 187 Ca 0.01 -0.00 -0.07 0.00 -0.47 0.00 0.00 61.79 61.26 3lrs h SER 187 Cb 0.42 -0.01 -0.01 0.00 -0.31 0.00 0.00 62.40 62.49 3lrs h SER 187 CO 0.03 0.11 -0.34 0.77 -0.87 0.00 0.00 176.83 176.54 3lrs h SER 188 N 0.03 0.00 -1.75 4.97 4.64 -1.79 -3.43 113.55 116.23 3lrs h SER 188 Ca 0.01 0.00 -0.66 0.00 -0.47 0.00 0.00 61.79 60.67 3lrs h SER 188 Cb 0.16 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 62.26 3lrs h SER 188 CO 0.01 0.34 1.13 0.18 -0.87 0.00 0.00 176.83 177.61 3lrs n LEU 189 N -4.06 2.96 0.00 5.97 7.99 -1.01 -1.14 117.00 127.72 3lrs n LEU 189 Ca -0.02 0.87 0.00 0.00 -0.01 0.00 0.00 56.01 56.85 3lrs n LEU 189 Cb 0.38 -1.30 0.00 0.00 -0.11 0.00 0.00 43.42 42.39 3lrs n LEU 189 CO 0.38 -0.28 0.00 0.61 -1.51 0.00 0.00 177.39 176.58 3lrs n GLY 190 N 4.79 3.09 0.13 -0.72 0.00 -1.26 -4.85 105.19 106.38 3lrs n GLY 190 Ca 0.27 -1.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.06 3lrs n GLY 190 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3lrs n THR 191 N 0.00 1.55 -2.74 2.61 -2.24 -0.49 -4.93 114.28 108.04 3lrs n THR 191 Ca 0.00 -0.47 -0.37 0.00 -2.27 0.00 0.00 64.05 60.94 3lrs n THR 191 Cb 0.00 -1.67 -0.06 0.00 -2.10 0.00 0.00 70.33 66.50 3lrs n THR 191 CO 0.00 0.00 0.00 -1.58 -0.57 0.00 0.00 175.07 172.92 3lrs s GLN 192 N -2.51 4.55 -0.13 -0.78 2.00 -0.29 -5.06 119.66 117.45 3lrs s GLN 192 Ca -0.34 1.38 -0.13 0.00 -2.00 0.00 0.00 55.36 54.27 3lrs s GLN 192 Cb 0.10 -2.81 -0.05 0.00 0.80 0.00 0.00 33.01 31.06 3lrs s GLN 192 CO 0.59 0.24 0.29 0.99 -0.50 0.00 0.00 175.29 176.90 3lrs s THR 193 N -1.58 5.29 -0.19 -0.34 2.01 -1.26 -4.83 115.64 114.73 3lrs s THR 193 Ca 0.50 0.55 -0.01 0.00 0.31 0.00 0.00 61.69 63.04 3lrs s THR 193 Cb -0.20 -3.61 0.00 0.00 0.01 0.00 0.00 72.50 68.70 3lrs s THR 193 CO 0.25 0.45 -0.12 -0.31 -0.69 0.00 0.00 174.62 174.20 3lrs s TYR 194 N 0.00 2.86 -0.03 4.92 2.02 -1.26 -4.93 117.35 120.93 3lrs s TYR 194 Ca 0.17 -1.24 0.03 0.00 -0.37 0.00 0.00 57.07 55.66 3lrs s TYR 194 Cb -0.13 -2.00 0.00 0.00 -0.40 0.00 0.00 41.96 39.43 3lrs s TYR 194 CO 0.05 -0.64 -0.10 0.42 -1.57 0.00 0.00 175.55 173.71 3lrs s ILE 195 N 1.31 0.89 -0.14 2.71 1.01 -1.26 -0.79 121.20 124.93 3lrs s ILE 195 Ca 0.04 -0.41 -0.04 0.00 0.00 0.00 0.00 60.65 60.24 3lrs s ILE 195 Cb -0.14 -0.79 -0.03 0.00 0.01 0.00 0.00 42.46 41.51 3lrs s ILE 195 CO -0.07 0.28 -0.02 0.00 0.00 0.00 0.00 174.94 175.13 3lrs s ASN 197 N 0.07 5.85 -0.31 0.00 -0.87 -0.06 -2.22 114.94 117.40 3lrs s ASN 197 Ca 0.01 -1.23 -0.05 0.00 -1.57 0.00 0.00 52.86 50.01 3lrs s ASN 197 Cb -0.13 -2.07 0.03 0.00 -0.02 0.00 0.00 41.25 39.06 3lrs s ASN 197 CO 0.02 -0.51 0.06 -0.69 -2.57 0.00 0.00 177.10 173.42 3lrs s VAL 198 N 1.55 3.59 -0.13 1.60 1.01 -0.42 -1.65 120.40 125.95 3lrs s VAL 198 Ca 0.03 -1.06 0.01 0.00 0.00 0.00 0.00 61.98 60.96 3lrs s VAL 198 Cb -0.22 -2.97 -0.01 0.00 0.00 0.00 0.00 36.38 33.18 3lrs s VAL 198 CO 0.06 -0.06 -0.15 0.21 0.00 0.00 0.00 175.10 175.15 3lrs s ASN 199 N 1.39 3.85 -0.51 3.32 2.47 -0.19 -1.46 114.94 123.82 3lrs s ASN 199 Ca -0.01 -0.37 0.03 0.00 0.42 0.00 0.00 52.86 52.93 3lrs s ASN 199 Cb -0.19 -1.58 0.14 0.00 -1.45 0.00 0.00 41.25 38.18 3lrs s ASN 199 CO 0.01 0.16 0.29 -2.28 -3.72 0.00 0.00 177.10 171.57 3lrs s HIS 200 N 0.38 2.55 0.27 0.43 5.65 -0.02 -0.89 115.29 123.66 3lrs s HIS 200 Ca -0.12 -2.80 -0.02 0.00 0.25 0.00 0.00 55.06 52.37 3lrs s HIS 200 Cb -0.16 -2.25 0.42 0.00 -1.18 0.00 0.00 32.58 29.41 3lrs s HIS 200 CO 0.06 -0.73 1.87 0.87 -0.65 0.00 0.00 174.74 176.16 3lrs h LYS 201 N 6.36 1.10 -0.25 2.88 1.57 -1.84 -1.02 116.57 125.37 3lrs h LYS 201 Ca 0.01 -0.07 0.07 0.00 -1.87 0.00 0.00 60.65 58.80 3lrs h LYS 201 Cb 0.89 -0.25 -0.01 0.00 0.08 0.00 0.00 32.23 32.94 3lrs h LYS 201 CO 0.58 0.73 0.49 -1.35 -0.57 0.00 0.00 179.45 179.32 3lrs h PRO 202 N 1.13 0.00 0.00 3.15 0.11 -1.91 -0.87 132.00 133.61 3lrs h PRO 202 Ca 0.44 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.55 3lrs h PRO 202 Cb 0.21 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.32 3lrs h PRO 202 CO -0.19 0.00 -0.19 -1.13 -0.21 0.00 0.00 178.00 176.29 3lrs n SER 203 N -3.26 1.07 -4.04 -2.05 3.41 -0.72 -4.94 113.62 103.08 3lrs n SER 203 Ca 0.04 -2.22 -0.27 0.00 -0.26 0.00 0.00 58.87 56.17 3lrs n SER 203 Cb 0.61 -0.22 -0.04 0.00 -0.26 0.00 0.00 64.21 64.30 3lrs n SER 203 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 3lrs n ASN 204 N -0.56 -0.05 -4.23 4.04 3.02 -0.33 -4.90 115.26 112.25 3lrs n ASN 204 Ca 0.05 -1.07 -0.35 0.00 -0.03 0.00 0.00 54.58 53.19 3lrs n ASN 204 Cb 0.59 -2.71 -0.14 0.00 -0.61 0.00 0.00 39.78 36.90 3lrs n ASN 204 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 3lrs s THR 205 N -4.05 2.96 -0.27 3.41 2.01 -0.93 -4.98 115.64 113.79 3lrs s THR 205 Ca 0.01 -0.84 0.03 0.00 0.31 0.00 0.00 61.69 61.21 3lrs s THR 205 Cb -0.01 -2.43 0.06 0.00 0.01 0.00 0.00 72.50 70.14 3lrs s THR 205 CO 0.91 0.31 -0.09 -0.54 -0.69 0.00 0.00 174.62 174.52 3lrs s LYS 206 N 1.37 2.16 -0.08 4.92 1.02 -1.26 -0.84 119.74 127.03 3lrs s LYS 206 Ca 0.03 -1.41 0.03 0.00 0.02 0.00 0.00 55.97 54.64 3lrs s LYS 206 Cb -0.15 -2.93 -0.02 0.00 -0.52 0.00 0.00 37.83 34.20 3lrs s LYS 206 CO -0.05 -0.61 -0.16 0.08 -0.92 0.00 0.00 175.35 173.69 3lrs s VAL 207 N 1.08 2.90 -0.29 3.17 1.01 -0.53 -4.98 120.40 122.76 3lrs s VAL 207 Ca -0.07 -0.76 0.02 0.00 0.00 0.00 0.00 61.98 61.18 3lrs s VAL 207 Cb -0.20 -2.15 0.07 0.00 0.00 0.00 0.00 36.38 34.10 3lrs s VAL 207 CO -0.05 0.57 -0.05 -1.81 0.00 0.00 0.00 175.10 173.76 3lrs s ASP 208 N -0.30 4.61 -0.18 3.32 1.01 -1.26 -1.30 116.67 122.57 3lrs s ASP 208 Ca 0.02 -1.57 -0.07 0.00 0.71 0.00 0.00 52.55 51.64 3lrs s ASP 208 Cb -0.13 -1.60 -0.04 0.00 1.01 0.00 0.00 42.92 42.16 3lrs s ASP 208 CO 0.03 -0.25 0.07 -0.75 0.21 0.00 0.00 175.17 174.47 3lrs s LYS 209 N 1.08 3.97 0.04 8.23 2.47 -0.94 -4.90 119.74 129.69 3lrs s LYS 209 Ca -0.03 -0.33 -0.09 0.00 -1.56 0.00 0.00 55.97 53.95 3lrs s LYS 209 Cb -0.20 -3.22 -0.05 0.00 -1.46 0.00 0.00 37.83 32.90 3lrs s LYS 209 CO -0.05 0.29 0.35 -0.98 0.16 0.00 0.00 175.35 175.12 3lrs s ARG 210 N 0.32 3.71 -0.30 4.03 1.70 -1.26 -0.94 118.95 126.21 3lrs s ARG 210 Ca 0.04 0.11 0.03 0.00 -0.47 0.00 0.00 55.73 55.44 3lrs s ARG 210 Cb -0.12 -3.05 0.08 0.00 -0.57 0.00 0.00 34.95 31.29 3lrs s ARG 210 CO 0.00 0.61 -0.00 0.08 -1.08 0.00 0.00 175.30 174.90 3lrs s VAL 211 N -1.33 2.08 0.13 4.99 1.01 0.03 -4.86 120.40 122.45 3lrs s VAL 211 Ca 0.30 -1.97 0.07 0.00 0.00 0.00 0.00 61.98 60.38 3lrs s VAL 211 Cb -0.14 -2.42 -0.04 0.00 0.00 0.00 0.00 36.38 33.78 3lrs s VAL 211 CO 0.17 -0.39 -0.06 -1.61 0.00 0.00 0.00 175.10 173.21 3lrs s GLU 212 N 1.05 2.25 -0.76 2.72 0.41 -1.26 -4.48 118.70 118.64 3lrs s GLU 212 Ca 0.03 -1.04 -0.25 0.00 -0.41 0.00 0.00 54.97 53.30 3lrs s GLU 212 Cb -0.19 -2.34 -0.14 0.00 -1.78 0.00 0.00 34.13 29.68 3lrs s GLU 212 CO -0.08 0.49 2.41 -2.30 -0.49 0.00 0.00 175.26 175.29 3lrs n PRO 213 N 0.40 0.60 0.00 0.39 -0.02 -1.26 -4.63 135.00 130.48 3lrs n PRO 213 Ca -0.12 -0.68 0.00 0.00 -2.02 0.00 0.00 63.50 60.69 3lrs n PRO 213 Cb 0.53 -3.51 0.00 0.00 -0.02 0.00 0.00 33.50 30.51 3lrs n PRO 213 CO 0.00 0.00 0.00 1.63 1.98 0.00 0.00 175.50 179.11