#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3llr s GLU 9 N 0.00 1.67 -0.99 0.00 2.12 -1.26 -4.81 118.70 115.44 3llr s GLU 9 Ca 0.00 -0.67 -0.06 0.00 0.36 0.00 0.00 54.97 54.60 3llr s GLU 9 Cb 0.00 -1.55 0.01 0.00 0.26 0.00 0.00 34.13 32.85 3llr s GLU 9 CO 0.00 0.36 0.86 0.66 -0.54 0.00 0.00 175.26 176.60 3llr n TYR 10 N 2.80 -2.10 -2.84 5.30 0.53 -1.26 -4.96 117.16 114.63 3llr n TYR 10 Ca -0.16 0.74 -0.41 0.00 -1.02 0.00 0.00 57.90 57.05 3llr n TYR 10 Cb 0.53 -3.95 0.01 0.00 -1.03 0.00 0.00 39.34 34.90 3llr n TYR 10 CO 0.00 0.00 0.00 0.39 -1.02 0.00 0.00 176.86 176.23 3llr n GLU 11 N -3.77 4.84 0.00 -0.72 1.02 -1.26 -4.57 120.64 116.18 3llr n GLU 11 Ca 0.00 -4.63 0.00 0.00 -0.02 0.00 0.00 57.16 52.51 3llr n GLU 11 Cb 0.55 -2.47 0.00 0.00 -0.02 0.00 0.00 31.44 29.49 3llr n GLU 11 CO 0.00 0.00 0.00 -0.40 1.18 0.00 0.00 177.13 177.91 3llr n ASP 12 N 0.58 1.65 -0.77 1.62 3.85 -1.26 -5.00 116.55 117.22 3llr n ASP 12 Ca 0.36 -1.78 -0.10 0.00 -0.71 0.00 0.00 54.79 52.56 3llr n ASP 12 Cb 0.30 0.00 -0.04 0.00 -1.35 0.00 0.00 41.12 40.03 3llr n ASP 12 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 3llr n GLY 13 N -0.39 1.15 0.77 6.12 0.00 -1.26 -4.90 105.19 106.68 3llr n GLY 13 Ca 0.00 -0.54 0.08 0.00 0.00 0.00 0.00 46.02 45.55 3llr n GLY 13 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3llr n ARG 14 N -2.65 2.08 0.00 1.61 5.12 -1.26 -5.09 116.66 116.47 3llr n ARG 14 Ca -0.10 -1.89 0.00 0.00 -1.93 0.00 0.00 57.85 53.93 3llr n ARG 14 Cb 0.34 -1.34 0.00 0.00 -1.16 0.00 0.00 32.46 30.30 3llr n ARG 14 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 3llr n GLY 15 N 0.89 0.86 4.12 -0.13 0.00 -1.26 -4.96 105.19 104.70 3llr n GLY 15 Ca 0.13 -0.81 -0.43 0.00 0.00 0.00 0.00 46.02 44.91 3llr n GLY 15 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 3llr n PHE 16 N 8.46 -1.38 -1.53 1.61 3.01 -1.26 -4.95 117.46 121.42 3llr n PHE 16 Ca 0.00 0.20 -0.29 0.00 1.01 0.00 0.00 57.45 58.37 3llr n PHE 16 Cb 0.00 -2.82 0.17 0.00 -0.01 0.00 0.00 39.48 36.81 3llr n PHE 16 CO 0.00 0.00 0.00 0.20 1.01 0.00 0.00 176.76 177.97 3llr s GLY 17 N -3.72 1.62 0.16 1.37 0.00 -1.26 -4.93 107.32 100.56 3llr s GLY 17 Ca 0.38 -0.75 -0.33 0.00 0.00 0.00 0.00 44.72 44.02 3llr s GLY 17 CO 0.97 -0.08 1.65 1.39 0.00 0.00 0.00 173.10 177.03 3llr n ILE 18 N -3.97 0.05 -0.05 0.90 5.41 -1.26 -2.45 119.36 118.00 3llr n ILE 18 Ca 0.10 -0.01 0.00 0.00 1.00 0.00 0.00 62.75 63.84 3llr n ILE 18 Cb 0.59 -1.71 0.00 0.00 -0.71 0.00 0.00 39.64 37.81 3llr n ILE 18 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 3llr n GLY 19 N 3.67 0.60 3.72 7.39 0.00 0.12 -4.92 105.19 115.76 3llr n GLY 19 Ca 0.17 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.77 3llr n GLY 19 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3llr s GLU 20 N -0.80 4.40 0.03 1.61 2.02 -1.03 -4.49 118.70 120.44 3llr s GLU 20 Ca 0.00 1.91 -0.29 0.00 0.02 0.00 0.00 54.97 56.61 3llr s GLU 20 Cb 0.00 -3.29 -0.04 0.00 0.10 0.00 0.00 34.13 30.90 3llr s GLU 20 CO 0.00 -0.30 0.93 -0.51 0.02 0.00 0.00 175.26 175.40 3llr s LEU 21 N 0.83 4.40 0.10 1.80 1.43 -1.26 -1.61 118.68 124.37 3llr s LEU 21 Ca 0.60 1.63 0.01 0.00 -1.03 0.00 0.00 54.13 55.34 3llr s LEU 21 Cb -0.33 -3.50 -0.04 0.00 0.03 0.00 0.00 46.19 42.35 3llr s LEU 21 CO 0.31 -0.18 -0.03 0.68 0.23 0.00 0.00 176.35 177.37 3llr s VAL 22 N 0.65 0.46 -0.15 -1.59 -7.23 0.23 -1.71 120.40 111.05 3llr s VAL 22 Ca 0.48 -1.90 -0.07 0.00 -1.81 0.00 0.00 61.98 58.68 3llr s VAL 22 Cb -0.21 -1.75 -0.04 0.00 0.56 0.00 0.00 36.38 34.93 3llr s VAL 22 CO 0.27 -0.79 0.09 0.26 -0.31 0.00 0.00 175.10 174.62 3llr s TRP 23 N -3.78 3.39 -0.01 2.82 0.52 0.24 -0.73 118.94 121.38 3llr s TRP 23 Ca 0.14 0.30 0.07 0.00 0.02 0.00 0.00 56.10 56.63 3llr s TRP 23 Cb 0.07 -2.01 -0.02 0.00 -1.15 0.00 0.00 33.47 30.36 3llr s TRP 23 CO -0.04 0.42 -0.22 0.20 0.02 0.00 0.00 176.95 177.33 3llr s GLY 24 N -0.28 1.09 -0.18 0.98 0.00 0.39 -0.90 107.32 108.43 3llr s GLY 24 Ca 0.10 -0.97 -0.01 0.00 0.00 0.00 0.00 44.72 43.83 3llr s GLY 24 CO 0.01 -0.82 -0.13 1.25 0.00 0.00 0.00 173.10 173.41 3llr s LYS 25 N -0.62 3.20 0.01 2.90 2.36 -0.29 -1.33 119.74 125.96 3llr s LYS 25 Ca 0.09 -0.73 0.05 0.00 -2.55 0.00 0.00 55.97 52.82 3llr s LYS 25 Cb -0.09 -2.73 -0.03 0.00 -1.05 0.00 0.00 37.83 33.93 3llr s LYS 25 CO -0.00 -0.12 -0.15 -0.51 1.55 0.00 0.00 175.35 176.11 3llr s LEU 26 N 1.17 2.73 0.18 5.43 1.02 -1.26 -4.90 118.68 123.05 3llr s LEU 26 Ca 0.02 -0.31 -0.33 0.00 0.02 0.00 0.00 54.13 53.53 3llr s LEU 26 Cb -0.14 -1.58 -0.13 0.00 0.02 0.00 0.00 46.19 44.36 3llr s LEU 26 CO -0.05 0.29 1.65 -1.14 0.02 0.00 0.00 176.35 177.12 3llr n ARG 27 N 1.81 2.45 -0.50 1.70 0.00 -1.26 -1.76 116.66 119.10 3llr n ARG 27 Ca -0.16 0.88 0.00 0.00 -0.00 0.00 0.00 57.85 58.57 3llr n ARG 27 Cb 0.52 -2.69 0.00 0.00 0.00 0.00 0.00 32.46 30.29 3llr n ARG 27 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 3llr n GLY 28 N 3.69 0.97 3.31 5.14 0.00 -1.26 -5.03 105.19 112.02 3llr n GLY 28 Ca 0.17 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.94 3llr n GLY 28 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3llr s PHE 29 N -3.10 1.89 0.76 1.61 0.08 -0.72 -5.14 117.98 113.36 3llr s PHE 29 Ca 0.00 -0.42 -0.12 0.00 0.12 0.00 0.00 56.93 56.51 3llr s PHE 29 Cb 0.00 -1.01 0.06 0.00 -0.57 0.00 0.00 43.02 41.49 3llr s PHE 29 CO 0.00 0.25 1.13 -1.12 -0.10 0.00 0.00 175.22 175.38 3llr s SER 30 N -2.07 4.30 0.23 1.36 0.01 -1.26 -4.51 113.70 111.76 3llr s SER 30 Ca 0.09 2.03 -0.31 0.00 1.31 0.00 0.00 55.95 59.07 3llr s SER 30 Cb -0.09 -2.55 -0.14 0.00 0.21 0.00 0.00 66.02 63.45 3llr s SER 30 CO 0.05 -2.18 1.29 0.79 0.41 0.00 0.00 173.24 173.60 3llr n TRP 31 N -3.24 1.81 -4.63 2.43 7.02 -1.26 -4.70 117.44 114.87 3llr n TRP 31 Ca 0.11 0.54 -0.23 0.00 -1.02 0.00 0.00 57.50 56.90 3llr n TRP 31 Cb 0.52 -2.38 -0.16 0.00 -2.42 0.00 0.00 31.31 26.88 3llr n TRP 31 CO 0.00 0.00 0.00 -0.46 -2.02 0.00 0.00 177.69 175.21 3llr s TRP 32 N -0.26 1.33 0.29 -5.99 -0.11 -0.44 -4.89 118.94 108.87 3llr s TRP 32 Ca 0.68 -0.33 -0.29 0.00 1.22 0.00 0.00 56.10 57.38 3llr s TRP 32 Cb -0.71 -0.90 -0.10 0.00 -1.50 0.00 0.00 33.47 30.26 3llr s TRP 32 CO 0.52 -0.10 1.22 -2.14 -4.62 0.00 0.00 176.95 171.83 3llr s PRO 33 N -0.01 4.48 0.23 5.86 0.02 -1.26 -0.46 135.00 143.85 3llr s PRO 33 Ca -0.01 2.03 -0.07 0.00 0.02 0.00 0.00 61.00 62.97 3llr s PRO 33 Cb -0.09 -3.14 0.03 0.00 0.02 0.00 0.00 34.50 31.32 3llr s PRO 33 CO 0.01 -0.03 0.42 0.41 -0.33 0.00 0.00 177.00 177.48 3llr n GLY 34 N 1.17 1.65 2.98 0.52 0.00 0.09 -1.17 105.19 110.42 3llr n GLY 34 Ca 0.00 -1.23 -0.13 0.00 0.00 0.00 0.00 46.02 44.65 3llr n GLY 34 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 3llr s ARG 35 N -2.15 0.37 -0.03 1.61 1.70 -0.52 -0.61 118.95 119.34 3llr s ARG 35 Ca 0.11 -0.39 -0.30 0.00 -0.47 0.00 0.00 55.73 54.68 3llr s ARG 35 Cb -0.02 -0.24 -0.05 0.00 -0.57 0.00 0.00 34.95 34.07 3llr s ARG 35 CO 0.08 0.05 1.40 0.42 -1.08 0.00 0.00 175.30 176.18 3llr s ILE 36 N -0.66 3.78 0.36 4.99 -1.09 -0.64 -1.14 121.20 126.80 3llr s ILE 36 Ca -0.04 1.13 0.09 0.00 -2.23 0.00 0.00 60.65 59.59 3llr s ILE 36 Cb -0.05 -3.72 -0.06 0.00 -1.58 0.00 0.00 42.46 37.04 3llr s ILE 36 CO -0.00 -0.02 -0.02 0.68 -1.23 0.00 0.00 174.94 174.35 3llr s VAL 37 N 2.67 2.37 0.56 2.92 -7.23 -0.29 -0.70 120.40 120.70 3llr s VAL 37 Ca 0.63 -2.05 -0.17 0.00 -1.81 0.00 0.00 61.98 58.58 3llr s VAL 37 Cb -0.30 -2.78 -0.05 0.00 0.56 0.00 0.00 36.38 33.81 3llr s VAL 37 CO 0.25 -0.16 1.05 -0.55 -0.31 0.00 0.00 175.10 175.38 3llr s SER 38 N -3.68 6.02 0.31 4.85 0.15 -1.26 -4.33 113.70 115.75 3llr s SER 38 Ca 0.34 1.82 0.01 0.00 0.70 0.00 0.00 55.95 58.82 3llr s SER 38 Cb 0.03 -2.54 0.51 0.00 -1.71 0.00 0.00 66.02 62.31 3llr s SER 38 CO 0.18 -1.00 1.89 4.11 1.20 0.00 0.00 173.24 179.62 3llr h TRP 39 N 0.79 0.77 0.00 3.44 5.08 -1.94 -3.10 115.95 120.99 3llr h TRP 39 Ca -0.48 -0.05 0.00 0.00 1.08 0.00 0.00 58.89 59.45 3llr h TRP 39 Cb 1.22 -0.24 0.00 0.00 -3.00 0.00 0.00 29.16 27.14 3llr h TRP 39 CO 0.59 0.62 0.00 -2.67 -1.28 0.00 0.00 178.44 175.69 3llr n TRP 40 N -4.32 0.00 0.23 0.12 4.27 -1.26 -1.68 117.44 114.79 3llr n TRP 40 Ca 0.04 0.00 0.08 0.00 -3.89 0.00 0.00 57.50 53.73 3llr n TRP 40 Cb 0.18 0.00 0.13 0.00 -1.36 0.00 0.00 31.31 30.26 3llr n TRP 40 CO 0.00 0.00 0.00 0.00 -2.29 0.00 0.00 177.69 175.40 3llr n MET 41 N -0.99 1.92 -0.02 -2.67 0.00 -1.17 -4.51 117.12 109.68 3llr n MET 41 Ca 0.15 -1.81 -0.05 0.00 0.00 0.00 0.00 57.70 55.99 3llr n MET 41 Cb 0.07 -1.33 -0.13 0.00 0.00 0.00 0.00 33.22 31.83 3llr n MET 41 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 175.97 176.22 3llr n THR 42 N 0.88 1.32 -0.92 3.17 -2.24 -0.68 -4.98 114.28 110.83 3llr n THR 42 Ca 0.12 -0.76 0.00 0.00 -2.27 0.00 0.00 64.05 61.14 3llr n THR 42 Cb 0.43 -0.74 0.00 0.00 -2.10 0.00 0.00 70.33 67.92 3llr n THR 42 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3llr n GLY 43 N 1.53 0.43 0.00 3.38 0.00 -1.25 -5.01 105.19 104.27 3llr n GLY 43 Ca -0.18 -0.99 0.00 0.00 0.00 0.00 0.00 46.02 44.85 3llr n GLY 43 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3llr n ARG 44 N -2.92 1.21 -4.41 1.61 5.12 -1.26 -5.16 116.66 110.84 3llr n ARG 44 Ca 0.00 0.00 -0.20 0.00 -1.93 0.00 0.00 57.85 55.72 3llr n ARG 44 Cb 0.00 0.00 -0.10 0.00 -1.16 0.00 0.00 32.46 31.20 3llr n ARG 44 CO 0.00 0.00 0.00 -1.54 -1.93 0.00 0.00 177.63 174.16 3llr s SER 45 N 0.87 2.14 0.21 0.55 1.04 -1.26 -4.97 113.70 112.29 3llr s SER 45 Ca 0.00 -1.33 -0.32 0.00 0.48 0.00 0.00 55.95 54.77 3llr s SER 45 Cb 0.00 -0.04 -0.13 0.00 0.10 0.00 0.00 66.02 65.95 3llr s SER 45 CO 0.00 -0.58 1.55 -1.14 0.98 0.00 0.00 173.24 174.05 3llr n ARG 46 N -0.60 2.30 -2.21 4.02 0.63 -1.26 -4.91 116.66 114.62 3llr n ARG 46 Ca -0.03 0.82 -0.38 0.00 -0.92 0.00 0.00 57.85 57.35 3llr n ARG 46 Cb 0.66 -2.57 -0.01 0.00 0.45 0.00 0.00 32.46 30.98 3llr n ARG 46 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 3llr s ALA 47 N 0.53 3.07 0.82 5.13 0.00 -1.26 -5.02 121.76 125.03 3llr s ALA 47 Ca 0.73 1.01 -0.11 0.00 0.00 0.00 0.00 51.96 53.59 3llr s ALA 47 Cb -0.62 -3.41 0.08 0.00 0.00 0.00 0.00 23.12 19.18 3llr s ALA 47 CO 0.42 -0.68 1.09 0.00 0.00 0.00 0.00 175.76 176.59 3llr s ALA 48 N -1.44 2.00 0.21 0.00 0.00 -1.26 -4.93 121.76 116.34 3llr s ALA 48 Ca 0.61 0.03 -0.32 0.00 0.00 0.00 0.00 51.96 52.28 3llr s ALA 48 Cb -0.31 -3.20 -0.14 0.00 0.00 0.00 0.00 23.12 19.46 3llr s ALA 48 CO 0.39 -1.96 1.31 -1.91 0.00 0.00 0.00 175.76 173.59 3llr n GLU 49 N -3.62 1.70 -0.97 0.00 2.13 -1.26 -1.81 120.64 116.81 3llr n GLU 49 Ca 0.08 0.61 0.00 0.00 0.66 0.00 0.00 57.16 58.50 3llr n GLU 49 Cb 0.55 -2.20 0.00 0.00 0.27 0.00 0.00 31.44 30.06 3llr n GLU 49 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 3llr n GLY 50 N 2.09 0.49 3.46 8.31 0.00 -1.26 -5.02 105.19 113.27 3llr n GLY 50 Ca 0.13 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.91 3llr n GLY 50 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3llr s THR 51 N -2.19 2.44 0.03 2.61 -4.23 -0.75 -1.50 115.64 112.05 3llr s THR 51 Ca 0.00 -2.36 0.02 0.00 -1.18 0.00 0.00 61.69 58.17 3llr s THR 51 Cb 0.00 -2.27 -0.02 0.00 1.34 0.00 0.00 72.50 71.55 3llr s THR 51 CO 0.00 -0.37 -0.08 -0.13 -0.54 0.00 0.00 174.62 173.50 3llr s ARG 52 N -3.41 0.53 -0.15 3.99 1.81 0.41 -4.71 118.95 117.41 3llr s ARG 52 Ca 0.29 -0.62 -0.26 0.00 -1.72 0.00 0.00 55.73 53.41 3llr s ARG 52 Cb -0.05 -0.36 -0.01 0.00 -0.45 0.00 0.00 34.95 34.07 3llr s ARG 52 CO 0.14 0.08 0.88 -1.58 -0.68 0.00 0.00 175.30 174.14 3llr s TRP 53 N -1.04 3.44 -0.09 -0.53 0.52 -1.26 -0.84 118.94 119.15 3llr s TRP 53 Ca -0.06 1.34 0.03 0.00 0.02 0.00 0.00 56.10 57.43 3llr s TRP 53 Cb -0.08 -3.06 -0.01 0.00 -1.15 0.00 0.00 33.47 29.17 3llr s TRP 53 CO 0.00 -0.24 -0.20 0.54 0.02 0.00 0.00 176.95 177.07 3llr s VAL 54 N 2.13 2.45 -0.35 4.03 0.11 -0.16 -1.13 120.40 127.48 3llr s VAL 54 Ca 0.41 -0.90 -0.16 0.00 -2.93 0.00 0.00 61.98 58.40 3llr s VAL 54 Cb -0.17 -1.96 -0.01 0.00 -1.53 0.00 0.00 36.38 32.71 3llr s VAL 54 CO 0.13 0.55 0.41 -0.32 -3.33 0.00 0.00 175.10 172.55 3llr s MET 55 N 0.11 3.56 0.26 1.54 1.75 -0.29 -1.85 119.30 124.38 3llr s MET 55 Ca -0.10 -0.35 -0.29 0.00 -1.25 0.00 0.00 55.69 53.70 3llr s MET 55 Cb -0.16 -3.81 -0.09 0.00 2.84 0.00 0.00 34.83 33.61 3llr s MET 55 CO 0.06 -0.57 1.18 -1.58 -0.65 0.00 0.00 175.02 173.45 3llr s TRP 56 N 2.13 3.41 0.65 4.11 0.52 -0.08 -1.44 118.94 128.26 3llr s TRP 56 Ca 0.14 1.55 -0.11 0.00 0.02 0.00 0.00 56.10 57.70 3llr s TRP 56 Cb -0.16 -3.42 -0.02 0.00 -1.15 0.00 0.00 33.47 28.72 3llr s TRP 56 CO 0.12 -1.05 1.04 -0.06 0.02 0.00 0.00 176.95 177.02 3llr s PHE 57 N -0.82 3.41 0.00 -1.98 0.40 -0.32 -1.53 117.98 117.14 3llr s PHE 57 Ca 0.48 1.34 0.00 0.00 -0.60 0.00 0.00 56.93 58.15 3llr s PHE 57 Cb -0.34 -2.79 0.00 0.00 0.51 0.00 0.00 43.02 40.40 3llr s PHE 57 CO 0.42 -0.93 0.00 0.41 0.70 0.00 0.00 175.22 175.82 3llr n GLY 58 N -2.44 1.94 0.12 4.36 0.00 -1.26 -4.48 105.19 103.43 3llr n GLY 58 Ca 0.07 -0.63 0.02 0.00 0.00 0.00 0.00 46.02 45.48 3llr n GLY 58 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3llr n ASP 59 N 3.65 1.14 -1.15 1.61 5.68 -1.26 -4.88 116.55 121.34 3llr n ASP 59 Ca 0.00 -1.07 -0.13 0.00 -0.50 0.00 0.00 54.79 53.09 3llr n ASP 59 Cb 0.00 0.13 -0.04 0.00 -1.14 0.00 0.00 41.12 40.07 3llr n ASP 59 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3llr n GLY 60 N 0.31 0.86 3.79 6.12 0.00 -0.58 -5.00 105.19 110.68 3llr n GLY 60 Ca 0.02 -0.40 -0.31 0.00 0.00 0.00 0.00 46.02 45.32 3llr n GLY 60 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3llr s LYS 61 N -3.61 2.70 -0.10 1.61 1.02 -1.25 -4.65 119.74 115.47 3llr s LYS 61 Ca 0.00 1.10 -0.00 0.00 0.02 0.00 0.00 55.97 57.09 3llr s LYS 61 Cb 0.00 -1.96 -0.03 0.00 -0.52 0.00 0.00 37.83 35.33 3llr s LYS 61 CO 0.00 -1.29 -0.07 -0.06 -0.92 0.00 0.00 175.35 173.01 3llr s PHE 62 N -2.87 2.93 0.02 3.18 0.40 -1.26 -0.90 117.98 119.48 3llr s PHE 62 Ca 0.61 -0.16 0.01 0.00 -0.60 0.00 0.00 56.93 56.79 3llr s PHE 62 Cb -0.16 -1.79 -0.02 0.00 0.51 0.00 0.00 43.02 41.57 3llr s PHE 62 CO 0.52 0.16 -0.04 -1.12 0.70 0.00 0.00 175.22 175.44 3llr s SER 63 N -0.36 0.47 -0.13 1.36 0.01 -0.77 -5.01 113.70 109.27 3llr s SER 63 Ca 0.05 -0.36 -0.17 0.00 1.31 0.00 0.00 55.95 56.77 3llr s SER 63 Cb -0.12 0.03 -0.04 0.00 0.21 0.00 0.00 66.02 66.10 3llr s SER 63 CO 0.02 -0.16 0.44 0.54 0.41 0.00 0.00 173.24 174.50 3llr s VAL 64 N -0.96 5.21 -0.02 3.43 0.11 -1.26 -0.98 120.40 125.93 3llr s VAL 64 Ca -0.08 0.88 0.01 0.00 -2.93 0.00 0.00 61.98 59.86 3llr s VAL 64 Cb -0.07 -3.78 0.01 0.00 -1.53 0.00 0.00 36.38 31.01 3llr s VAL 64 CO -0.00 0.33 -0.02 -0.69 -3.33 0.00 0.00 175.10 171.39 3llr s VAL 65 N 0.63 0.25 0.49 2.04 1.01 -0.02 -4.94 120.40 119.87 3llr s VAL 65 Ca 0.24 -0.04 -0.23 0.00 0.00 0.00 0.00 61.98 61.94 3llr s VAL 65 Cb -0.15 -0.28 -0.07 0.00 0.00 0.00 0.00 36.38 35.89 3llr s VAL 65 CO 0.09 0.12 1.34 0.00 0.00 0.00 0.00 175.10 176.65 3llr h VAL 67 N 1.88 0.50 0.00 0.00 -1.51 -1.62 -0.49 116.25 115.01 3llr h VAL 67 Ca -0.50 -0.30 -0.02 0.00 -1.23 0.00 0.00 66.70 64.65 3llr h VAL 67 Cb 1.28 1.20 -0.00 0.00 -2.13 0.00 0.00 31.29 31.63 3llr h VAL 67 CO 0.59 0.06 -0.10 -0.33 -1.23 0.00 0.00 177.57 176.57 3llr h GLU 68 N 0.00 0.00 -0.55 5.19 3.07 -1.91 -2.03 114.58 118.35 3llr h GLU 68 Ca -0.00 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.86 3llr h GLU 68 Cb 0.19 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.10 3llr h GLU 68 CO 0.01 0.10 0.00 1.63 -1.40 0.00 0.00 179.01 179.35 3llr n LYS 69 N -3.78 4.57 -4.49 2.33 4.76 -0.19 -4.94 118.16 116.42 3llr n LYS 69 Ca -0.02 -3.10 -0.29 0.00 -2.87 0.00 0.00 58.31 52.02 3llr n LYS 69 Cb 0.20 -2.18 -0.13 0.00 -1.84 0.00 0.00 35.03 31.08 3llr n LYS 69 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 3llr s LEU 70 N -2.67 2.42 0.02 -0.35 1.43 -0.76 -1.13 118.68 117.63 3llr s LEU 70 Ca 0.53 -0.64 0.01 0.00 -1.03 0.00 0.00 54.13 53.01 3llr s LEU 70 Cb 0.40 -1.35 -0.01 0.00 0.03 0.00 0.00 46.19 45.26 3llr s LEU 70 CO 0.16 0.20 -0.05 -0.04 0.23 0.00 0.00 176.35 176.85 3llr s MET 71 N -1.87 0.37 0.84 1.70 -1.94 -0.08 -4.99 119.30 113.34 3llr s MET 71 Ca 0.15 -0.44 -0.11 0.00 -1.71 0.00 0.00 55.69 53.58 3llr s MET 71 Cb -0.10 -0.20 0.10 0.00 2.01 0.00 0.00 34.83 36.64 3llr s MET 71 CO 0.06 0.04 1.13 -1.25 -0.01 0.00 0.00 175.02 174.99 3llr s PRO 72 N -0.88 1.63 0.40 2.03 0.04 -1.26 0.79 135.00 137.73 3llr s PRO 72 Ca -0.06 1.42 0.11 0.00 0.04 0.00 0.00 61.00 62.51 3llr s PRO 72 Cb -0.06 -1.81 0.90 0.00 0.04 0.00 0.00 34.50 33.58 3llr s PRO 72 CO -0.00 -2.16 1.94 1.25 0.04 0.00 0.00 177.00 178.08 3llr h LEU 73 N -1.41 0.52 -2.42 -3.56 5.85 -1.62 -2.22 115.31 110.45 3llr h LEU 73 Ca -0.44 0.01 0.02 0.00 0.84 0.00 0.00 57.88 58.32 3llr h LEU 73 Cb 1.26 -0.09 -0.00 0.00 0.37 0.00 0.00 40.66 42.19 3llr h LEU 73 CO 0.46 0.30 0.16 0.77 -0.34 0.00 0.00 178.44 179.80 3llr h SER 74 N 0.57 0.00 0.00 1.25 4.64 -1.91 -1.55 113.55 116.56 3llr h SER 74 Ca 0.33 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.65 3llr h SER 74 Cb 0.53 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.62 3llr h SER 74 CO -0.11 0.00 0.00 -1.20 -0.87 0.00 0.00 176.83 174.65 3llr n SER 75 N -3.39 3.81 -0.10 4.97 7.64 -0.84 -4.54 113.62 121.18 3llr n SER 75 Ca -0.01 -2.07 -0.07 0.00 1.01 0.00 0.00 58.87 57.74 3llr n SER 75 Cb 0.25 -0.74 0.01 0.00 -1.01 0.00 0.00 64.21 62.72 3llr n SER 75 CO 0.00 0.00 0.00 0.15 -3.01 0.00 0.00 175.04 172.18 3llr h PHE 76 N 0.67 0.24 0.00 1.43 3.57 -1.51 -2.70 116.94 118.65 3llr h PHE 76 Ca 0.00 0.02 -0.06 0.00 3.53 0.00 0.00 57.97 61.45 3llr h PHE 76 Cb 0.92 -0.06 -0.01 0.00 2.79 0.00 0.00 35.95 39.60 3llr h PHE 76 CO 0.12 0.11 -0.31 0.00 -2.23 0.00 0.00 178.31 176.00 3llr h SER 78 N 0.00 0.00 0.01 0.00 0.02 -1.88 -3.38 113.55 108.32 3llr h SER 78 Ca -0.00 0.00 -0.39 0.00 -0.84 0.00 0.00 61.79 60.56 3llr h SER 78 Cb 0.55 0.00 -0.07 0.00 0.14 0.00 0.00 62.40 63.02 3llr h SER 78 CO 0.04 0.36 -2.45 0.00 -1.14 0.00 0.00 176.83 173.65 3llr n ALA 79 N -2.21 1.43 -1.68 3.77 0.00 -0.94 -4.96 120.51 115.92 3llr n ALA 79 Ca 0.01 -1.13 -0.45 0.00 0.00 0.00 0.00 53.44 51.87 3llr n ALA 79 Cb 0.69 -0.14 -0.03 0.00 0.00 0.00 0.00 19.45 19.97 3llr n ALA 79 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 3llr n PHE 80 N -3.18 2.34 -3.88 0.00 7.35 0.49 -4.52 117.46 116.06 3llr n PHE 80 Ca -0.43 0.32 -0.30 0.00 -0.76 0.00 0.00 57.45 56.28 3llr n PHE 80 Cb 1.02 -2.52 -0.16 0.00 0.35 0.00 0.00 39.48 38.17 3llr n PHE 80 CO 0.00 0.00 0.00 -1.58 -0.76 0.00 0.00 176.76 174.42 3llr s HIS 81 N 0.38 2.20 0.21 -5.13 5.65 -1.26 -4.96 115.29 112.37 3llr s HIS 81 Ca 0.72 -1.74 -0.09 0.00 0.25 0.00 0.00 55.06 54.19 3llr s HIS 81 Cb -0.63 -1.65 0.24 0.00 -1.18 0.00 0.00 32.58 29.35 3llr s HIS 81 CO 0.44 -0.79 1.81 0.37 -0.65 0.00 0.00 174.74 175.92 3llr h GLN 82 N 7.99 0.66 -0.99 2.88 5.75 -1.99 -1.80 115.11 127.60 3llr h GLN 82 Ca -0.15 -0.04 0.02 0.00 -0.15 0.00 0.00 58.65 58.32 3llr h GLN 82 Cb 1.06 -0.15 -0.05 0.00 1.07 0.00 0.00 27.48 29.41 3llr h GLN 82 CO 0.42 0.44 0.66 0.00 -2.65 0.00 0.00 178.83 177.69 3llr h ALA 83 N 1.35 1.31 -0.39 3.38 0.00 -1.99 0.94 119.26 123.86 3llr h ALA 83 Ca 0.30 -0.06 -0.10 0.00 0.00 0.00 0.00 54.91 55.05 3llr h ALA 83 Cb 0.19 -0.39 -0.01 0.00 0.00 0.00 0.00 17.79 17.58 3llr h ALA 83 CO -0.18 0.63 -0.13 1.15 0.00 0.00 0.00 179.25 180.72 3llr h THR 84 N 1.32 1.28 -0.34 0.00 2.02 -1.85 -2.47 112.91 112.86 3llr h THR 84 Ca 0.37 -1.24 0.02 0.00 0.77 0.00 0.00 66.41 66.34 3llr h THR 84 Cb -0.11 1.27 -0.03 0.00 -1.74 0.00 0.00 68.15 67.54 3llr h THR 84 CO -0.09 0.41 0.18 0.22 0.37 0.00 0.00 175.52 176.61 3llr h TYR 85 N 0.57 0.34 -0.57 3.16 3.20 -0.73 -0.12 116.97 122.82 3llr h TYR 85 Ca 0.09 0.01 -0.01 0.00 3.14 0.00 0.00 58.73 61.97 3llr h TYR 85 Cb 0.66 -0.10 -0.03 0.00 1.54 0.00 0.00 36.73 38.80 3llr h TYR 85 CO 0.05 0.19 0.32 -0.91 -1.64 0.00 0.00 178.16 176.17 3llr h ASN 86 N 0.38 0.69 0.08 -2.11 2.35 -0.76 -3.33 115.58 112.87 3llr h ASN 86 Ca 0.14 -0.04 -0.37 0.00 -0.55 0.00 0.00 56.30 55.48 3llr h ASN 86 Cb 0.03 -0.17 -0.06 0.00 0.05 0.00 0.00 38.32 38.17 3llr h ASN 86 CO -0.08 0.55 -2.28 0.29 -1.65 0.00 0.00 177.43 174.26 3llr n LYS 87 N -4.40 0.68 -3.68 0.81 5.02 -0.94 -4.90 118.16 110.75 3llr n LYS 87 Ca 0.05 0.14 -0.39 0.00 -2.02 0.00 0.00 58.31 56.09 3llr n LYS 87 Cb 0.09 -1.58 -0.12 0.00 -0.02 0.00 0.00 35.03 33.40 3llr n LYS 87 CO 0.00 0.00 0.00 -0.65 -0.52 0.00 0.00 177.40 176.23 3llr s GLN 88 N -2.53 2.81 0.49 1.97 -0.21 -0.08 -4.97 119.66 117.14 3llr s GLN 88 Ca -0.22 -1.07 0.15 0.00 0.02 0.00 0.00 55.36 54.24 3llr s GLN 88 Cb 0.08 -3.58 1.15 0.00 1.00 0.00 0.00 33.01 31.65 3llr s GLN 88 CO 0.72 -0.64 2.09 -1.35 -2.12 0.00 0.00 175.29 174.00 3llr h PRO 89 N 8.33 0.06 -0.06 2.91 0.11 -1.86 -2.41 132.00 139.08 3llr h PRO 89 Ca -0.26 -0.01 -0.11 0.00 0.11 0.00 0.00 66.00 65.74 3llr h PRO 89 Cb 1.10 -0.01 -0.01 0.00 0.11 0.00 0.00 31.00 32.19 3llr h PRO 89 CO 0.63 0.09 -0.45 1.98 -0.21 0.00 0.00 178.00 180.04 3llr h MET 90 N 0.06 0.14 -0.23 1.05 4.05 -1.95 -1.70 114.93 116.35 3llr h MET 90 Ca 0.01 -0.07 -0.04 0.00 -0.28 0.00 0.00 59.70 59.33 3llr h MET 90 Cb 0.09 0.00 -0.01 0.00 -0.80 0.00 0.00 31.60 30.88 3llr h MET 90 CO 0.00 0.57 -0.01 -0.92 0.23 0.00 0.00 176.91 176.78 3llr h TYR 91 N 0.11 0.44 -0.66 1.39 3.20 -1.76 -0.29 116.97 119.41 3llr h TYR 91 Ca 0.01 -0.08 0.02 0.00 3.14 0.00 0.00 58.73 61.81 3llr h TYR 91 Cb 0.85 -0.11 -0.03 0.00 1.54 0.00 0.00 36.73 38.97 3llr h TYR 91 CO 0.01 0.60 0.43 0.00 -1.64 0.00 0.00 178.16 177.56 3llr h ARG 92 N 0.16 0.83 -0.43 1.82 3.08 -1.40 0.23 114.38 118.67 3llr h ARG 92 Ca 0.06 -0.05 -0.07 0.00 0.07 0.00 0.00 59.98 60.00 3llr h ARG 92 Cb 0.43 -0.19 -0.02 0.00 0.08 0.00 0.00 29.97 30.27 3llr h ARG 92 CO 0.01 0.55 0.01 -0.22 -1.07 0.00 0.00 179.97 179.25 3llr h LYS 93 N 0.85 0.75 -0.52 0.04 3.64 -1.10 -0.96 116.57 119.27 3llr h LYS 93 Ca 0.25 -0.23 -0.09 0.00 -1.27 0.00 0.00 60.65 59.30 3llr h LYS 93 Cb -0.04 -0.07 -0.02 0.00 -0.41 0.00 0.00 32.23 31.69 3llr h LYS 93 CO -0.06 0.82 -0.05 0.00 -2.27 0.00 0.00 179.45 177.89 3llr h ALA 94 N 0.91 0.94 -0.04 5.00 0.00 -0.31 -0.79 119.26 124.97 3llr h ALA 94 Ca 0.12 -0.31 -0.00 0.00 0.00 0.00 0.00 54.91 54.72 3llr h ALA 94 Cb 0.47 -0.20 -0.00 0.00 0.00 0.00 0.00 17.79 18.06 3llr h ALA 94 CO 0.02 0.63 0.02 0.82 0.00 0.00 0.00 179.25 180.74 3llr h ILE 95 N 0.83 1.12 -0.43 0.00 1.08 -0.91 -1.17 117.51 118.04 3llr h ILE 95 Ca 0.15 -0.36 0.09 0.00 -0.39 0.00 0.00 64.86 64.34 3llr h ILE 95 Cb 0.56 1.29 -0.09 0.00 -3.07 0.00 0.00 36.82 35.51 3llr h ILE 95 CO 0.03 0.10 -0.21 0.22 -0.69 0.00 0.00 178.15 177.60 3llr h TYR 96 N -0.08 -0.54 -0.25 1.37 3.20 -1.00 -1.88 116.97 117.79 3llr h TYR 96 Ca 0.01 0.05 -0.05 0.00 3.14 0.00 0.00 58.73 61.88 3llr h TYR 96 Cb 0.15 0.31 -0.01 0.00 1.54 0.00 0.00 36.73 38.71 3llr h TYR 96 CO -0.03 -0.30 -0.04 0.93 -1.64 0.00 0.00 178.16 177.09 3llr h GLU 97 N -0.13 0.46 -0.28 1.82 5.08 -1.01 -1.20 114.58 119.32 3llr h GLU 97 Ca 0.21 -0.17 -0.10 0.00 -1.00 0.00 0.00 59.36 58.30 3llr h GLU 97 Cb 0.45 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.66 3llr h GLU 97 CO -0.51 0.67 -0.24 -0.24 -1.00 0.00 0.00 179.01 177.69 3llr h VAL 98 N 0.22 1.27 0.00 3.13 3.04 -1.11 -2.49 116.25 120.31 3llr h VAL 98 Ca 0.07 -1.28 -0.17 0.00 -1.01 0.00 0.00 66.70 64.30 3llr h VAL 98 Cb 0.49 1.32 -0.02 0.00 -2.01 0.00 0.00 31.29 31.06 3llr h VAL 98 CO 0.02 0.41 -0.82 -0.07 -1.01 0.00 0.00 177.57 176.10 3llr h LEU 99 N 0.48 0.00 -0.21 3.16 3.38 -1.28 -0.36 115.31 120.48 3llr h LEU 99 Ca 0.07 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.03 3llr h LEU 99 Cb 0.68 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.42 3llr h LEU 99 CO 0.05 0.82 0.09 1.56 0.09 0.00 0.00 178.44 181.05 3llr h GLN 100 N 0.00 0.30 -0.27 1.13 1.08 -1.03 0.05 115.11 116.38 3llr h GLN 100 Ca -0.01 -0.05 -0.02 0.00 -1.45 0.00 0.00 58.65 57.12 3llr h GLN 100 Cb 1.54 -0.05 -0.01 0.00 -0.05 0.00 0.00 27.48 28.90 3llr h GLN 100 CO 0.11 0.35 0.09 0.28 -0.95 0.00 0.00 178.83 178.70 3llr h VAL 101 N 0.19 1.20 -0.13 -0.54 2.07 -1.42 -2.15 116.25 115.46 3llr h VAL 101 Ca 0.07 -0.62 0.01 0.00 0.82 0.00 0.00 66.70 66.98 3llr h VAL 101 Cb 0.15 1.10 -0.01 0.00 -1.52 0.00 0.00 31.29 31.01 3llr h VAL 101 CO -0.01 0.21 0.05 0.00 0.02 0.00 0.00 177.57 177.84 3llr h ALA 102 N 0.92 0.15 -0.16 1.67 0.00 -1.00 -2.18 119.26 118.66 3llr h ALA 102 Ca 0.09 0.01 -0.08 0.00 0.00 0.00 0.00 54.91 54.92 3llr h ALA 102 Cb 0.23 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.00 3llr h ALA 102 CO -0.00 -0.39 -0.26 0.66 0.00 0.00 0.00 179.25 179.26 3llr h SER 103 N 0.13 0.30 -0.58 0.00 4.64 -0.99 -1.56 113.55 115.49 3llr h SER 103 Ca 0.05 -0.09 -0.02 0.00 -0.47 0.00 0.00 61.79 61.26 3llr h SER 103 Cb 0.02 -0.08 -0.03 0.00 -0.31 0.00 0.00 62.40 62.00 3llr h SER 103 CO -0.05 0.56 0.30 -1.28 -0.87 0.00 0.00 176.83 175.49 3llr h SER 104 N 0.27 0.74 -0.56 4.97 0.87 -1.16 0.48 113.55 119.16 3llr h SER 104 Ca 0.04 -0.11 -0.09 0.00 -1.23 0.00 0.00 61.79 60.40 3llr h SER 104 Cb 0.60 -0.19 -0.02 0.00 -0.44 0.00 0.00 62.40 62.36 3llr h SER 104 CO 0.04 0.64 0.01 0.03 -0.53 0.00 0.00 176.83 177.02 3llr h ARG 105 N 0.78 0.98 0.00 2.24 3.08 -1.07 -3.10 114.38 117.29 3llr h ARG 105 Ca 0.20 -0.31 0.00 0.00 0.07 0.00 0.00 59.98 59.94 3llr h ARG 105 Cb 0.08 -0.09 0.00 0.00 0.08 0.00 0.00 29.97 30.04 3llr h ARG 105 CO -0.03 0.97 0.00 0.00 -1.07 0.00 0.00 179.97 179.85 3llr h ALA 106 N 0.96 1.00 -0.30 0.04 0.00 -0.74 -3.46 119.26 116.76 3llr h ALA 106 Ca 0.16 0.00 -0.13 0.00 0.00 0.00 0.00 54.91 54.94 3llr h ALA 106 Cb 0.53 0.00 -0.05 0.00 0.00 0.00 0.00 17.79 18.27 3llr h ALA 106 CO 0.03 0.00 -0.12 0.41 0.00 0.00 0.00 179.25 179.57 3llr n GLY 107 N 0.70 0.86 3.65 0.00 0.00 -0.20 -4.87 105.19 105.32 3llr n GLY 107 Ca 0.03 -0.77 -0.42 0.00 0.00 0.00 0.00 46.02 44.86 3llr n GLY 107 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3llr s LYS 108 N -2.54 4.19 -0.03 1.61 2.47 -0.01 -5.02 119.74 120.41 3llr s LYS 108 Ca 0.00 1.03 -0.14 0.00 -1.56 0.00 0.00 55.97 55.31 3llr s LYS 108 Cb 0.00 -3.65 -0.05 0.00 -1.46 0.00 0.00 37.83 32.67 3llr s LYS 108 CO 0.00 -0.56 0.36 -0.51 0.16 0.00 0.00 175.35 174.81 3llr s LEU 109 N 2.94 4.45 -0.11 5.43 1.02 -1.26 -4.53 118.68 126.63 3llr s LEU 109 Ca 0.37 0.87 -0.00 0.00 0.02 0.00 0.00 54.13 55.38 3llr s LEU 109 Cb -0.15 -2.50 0.02 0.00 0.02 0.00 0.00 46.19 43.59 3llr s LEU 109 CO 0.07 0.32 -0.07 -0.36 0.02 0.00 0.00 176.35 176.33 3llr s PHE 110 N -0.97 1.41 -0.86 0.29 0.40 -1.26 -5.13 117.98 111.86 3llr s PHE 110 Ca 0.22 -0.68 0.00 0.00 -0.60 0.00 0.00 56.93 55.87 3llr s PHE 110 Cb -0.16 -1.18 0.00 0.00 0.51 0.00 0.00 43.02 42.19 3llr s PHE 110 CO 0.11 -0.48 0.34 -0.35 0.70 0.00 0.00 175.22 175.55 3llr n PRO 111 N 4.86 0.60 0.00 0.24 -0.04 -1.26 -5.19 135.00 134.20 3llr n PRO 111 Ca -0.13 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.33 3llr n PRO 111 Cb 0.50 -1.29 0.00 0.00 -0.04 0.00 0.00 33.50 32.68 3llr n PRO 111 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3llr n ALA 124 N 0.27 -0.91 -0.15 0.55 0.00 -1.26 -5.14 120.51 113.87 3llr n ALA 124 Ca 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 53.44 53.33 3llr n ALA 124 Cb 0.17 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 19.61 3llr n ALA 124 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 3llr h VAL 125 N 0.00 1.27 -0.45 0.00 2.07 -2.00 -3.14 116.25 114.01 3llr h VAL 125 Ca 0.00 -1.19 0.03 0.00 0.82 0.00 0.00 66.70 66.37 3llr h VAL 125 Cb 0.00 1.16 -0.02 0.00 -1.52 0.00 0.00 31.29 30.90 3llr h VAL 125 CO 0.00 0.40 0.30 -0.33 0.02 0.00 0.00 177.57 177.96 3llr h GLU 126 N 0.65 0.48 0.06 1.57 5.08 -1.99 -1.30 114.58 119.11 3llr h GLU 126 Ca 0.11 -0.03 -0.09 0.00 -1.00 0.00 0.00 59.36 58.35 3llr h GLU 126 Cb 0.62 -0.11 0.01 0.00 0.50 0.00 0.00 28.75 29.77 3llr h GLU 126 CO 0.04 0.32 -0.39 0.28 -1.00 0.00 0.00 179.01 178.25 3llr h VAL 127 N 0.49 1.63 0.00 3.13 2.07 -2.02 -3.28 116.25 118.26 3llr h VAL 127 Ca 0.18 -2.35 -0.04 0.00 0.82 0.00 0.00 66.70 65.32 3llr h VAL 127 Cb 0.12 3.19 -0.01 0.00 -1.52 0.00 0.00 31.29 33.08 3llr h VAL 127 CO -0.05 0.64 -0.17 1.56 0.02 0.00 0.00 177.57 179.57 3llr h GLN 128 N -0.63 0.00 -0.17 1.57 4.20 -1.48 -2.89 115.11 115.70 3llr h GLN 128 Ca -0.07 0.00 -0.09 0.00 0.06 0.00 0.00 58.65 58.55 3llr h GLN 128 Cb 1.27 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 29.04 3llr h GLN 128 CO 0.07 0.17 -0.31 -0.91 -0.67 0.00 0.00 178.83 177.18 3llr h ASN 129 N 0.00 0.34 0.15 1.46 -0.26 -1.32 -3.32 115.58 112.63 3llr h ASN 129 Ca -0.00 -0.12 0.02 0.00 -0.56 0.00 0.00 56.30 55.63 3llr h ASN 129 Cb 0.44 -0.09 -0.03 0.00 -1.06 0.00 0.00 38.32 37.57 3llr h ASN 129 CO 0.02 0.64 -0.30 0.11 -1.06 0.00 0.00 177.43 176.84 3llr h LYS 130 N 0.29 -0.52 -0.02 0.81 1.57 -1.57 0.45 116.57 117.58 3llr h LYS 130 Ca 0.04 0.04 -0.07 0.00 -1.87 0.00 0.00 60.65 58.78 3llr h LYS 130 Cb 0.70 0.12 -0.01 0.00 0.08 0.00 0.00 32.23 33.12 3llr h LYS 130 CO 0.05 -0.35 -0.32 -1.00 -0.57 0.00 0.00 179.45 177.26 3llr h PRO 131 N -0.54 0.04 -0.33 3.15 0.13 -1.77 -2.07 132.00 130.61 3llr h PRO 131 Ca 0.02 -0.01 -0.11 0.00 -0.87 0.00 0.00 66.00 65.03 3llr h PRO 131 Cb 0.56 -0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.68 3llr h PRO 131 CO -0.16 0.36 -0.21 0.52 -0.23 0.00 0.00 178.00 178.29 3llr h MET 132 N 0.04 0.72 -0.39 0.86 2.86 -1.43 -1.76 114.93 115.83 3llr h MET 132 Ca 0.00 -0.34 -0.03 0.00 -2.06 0.00 0.00 59.70 57.27 3llr h MET 132 Cb 0.59 -0.01 -0.02 0.00 0.06 0.00 0.00 31.60 32.23 3llr h MET 132 CO 0.04 0.95 0.11 0.82 1.06 0.00 0.00 176.91 179.89 3llr h ILE 133 N 0.49 1.22 -0.95 -1.22 2.04 -0.08 -1.94 117.51 117.07 3llr h ILE 133 Ca 0.07 -0.73 0.08 0.00 1.00 0.00 0.00 64.86 65.28 3llr h ILE 133 Cb 0.75 0.95 -0.07 0.00 -0.74 0.00 0.00 36.82 37.72 3llr h ILE 133 CO 0.06 0.25 0.60 -0.33 0.00 0.00 0.00 178.15 178.73 3llr h GLU 134 N 0.49 1.03 -0.27 2.37 5.08 -1.34 0.18 114.58 122.11 3llr h GLU 134 Ca 0.13 -0.06 0.00 0.00 -1.00 0.00 0.00 59.36 58.42 3llr h GLU 134 Cb 0.27 -0.23 -0.01 0.00 0.50 0.00 0.00 28.75 29.28 3llr h GLU 134 CO -0.00 0.68 0.17 2.35 -1.00 0.00 0.00 179.01 181.21 3llr h TRP 135 N 1.06 0.35 0.01 4.33 7.01 -1.08 -0.38 115.95 127.24 3llr h TRP 135 Ca 0.43 0.00 -0.00 0.00 2.11 0.00 0.00 58.89 61.43 3llr h TRP 135 Cb 0.25 -0.12 0.00 0.00 -2.10 0.00 0.00 29.16 27.20 3llr h TRP 135 CO -0.01 0.23 -0.00 0.00 -2.79 0.00 0.00 178.44 175.86 3llr h ALA 136 N 1.08 -0.01 -0.25 2.65 0.00 -0.54 0.36 119.26 122.56 3llr h ALA 136 Ca 0.10 -0.02 -0.03 0.00 0.00 0.00 0.00 54.91 54.96 3llr h ALA 136 Cb -0.02 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.76 3llr h ALA 136 CO -0.02 -0.49 0.02 -0.07 0.00 0.00 0.00 179.25 178.70 3llr h LEU 137 N -0.05 0.33 0.00 0.00 3.38 -0.59 -2.08 115.31 116.30 3llr h LEU 137 Ca -0.00 -0.04 0.00 0.00 0.09 0.00 0.00 57.88 57.93 3llr h LEU 137 Cb 0.05 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 40.71 3llr h LEU 137 CO 0.00 0.37 0.00 0.61 0.09 0.00 0.00 178.44 179.51 3llr n GLY 138 N -1.11 -0.89 0.49 0.83 0.00 -0.16 -4.86 105.19 99.49 3llr n GLY 138 Ca 0.01 -0.14 0.00 0.00 0.00 0.00 0.00 46.02 45.89 3llr n GLY 138 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3llr n GLY 139 N 0.70 0.88 3.67 -0.02 0.00 -0.78 -4.38 105.19 105.26 3llr n GLY 139 Ca 0.17 -0.27 -0.24 0.00 0.00 0.00 0.00 46.02 45.68 3llr n GLY 139 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 3llr n PHE 140 N -2.22 -2.38 -2.50 1.61 3.01 0.10 -4.19 117.46 110.89 3llr n PHE 140 Ca 0.00 0.93 -0.36 0.00 1.01 0.00 0.00 57.45 59.03 3llr n PHE 140 Cb 0.01 -4.62 -0.03 0.00 -0.01 0.00 0.00 39.48 34.82 3llr n PHE 140 CO 0.00 0.00 0.00 -0.65 1.01 0.00 0.00 176.76 177.12 3llr s GLN 141 N -6.13 4.00 0.14 -1.08 -1.52 -1.26 -0.17 119.66 113.64 3llr s GLN 141 Ca 0.36 1.51 0.24 0.00 -1.95 0.00 0.00 55.36 55.53 3llr s GLN 141 Cb -0.17 -2.40 0.40 0.00 -0.22 0.00 0.00 33.01 30.62 3llr s GLN 141 CO 0.78 -0.29 1.38 -1.00 -0.25 0.00 0.00 175.29 175.91 3llr h PRO 142 N 2.17 0.00 -0.34 2.91 0.13 -1.97 -3.46 132.00 131.45 3llr h PRO 142 Ca -0.49 0.00 -0.07 0.00 -0.87 0.00 0.00 66.00 64.57 3llr h PRO 142 Cb 1.22 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.33 3llr h PRO 142 CO 0.61 0.00 -0.09 0.66 -0.23 0.00 0.00 178.00 178.95 3llr h SER 143 N 0.00 0.55 -3.35 1.44 4.64 -1.87 -3.50 113.55 111.46 3llr h SER 143 Ca 0.00 -0.14 0.03 0.00 -0.47 0.00 0.00 61.79 61.21 3llr h SER 143 Cb 0.76 -0.15 -0.01 0.00 -0.31 0.00 0.00 62.40 62.70 3llr h SER 143 CO 0.00 0.68 -0.04 0.61 -0.87 0.00 0.00 176.83 177.22 3llr n GLY 144 N -0.65 -1.89 0.33 -0.77 0.00 0.76 -4.20 105.19 98.77 3llr n GLY 144 Ca 0.01 -1.34 0.16 0.00 0.00 0.00 0.00 46.02 44.85 3llr n GLY 144 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 3llr h PRO 145 N 0.00 0.00 0.00 1.61 0.11 -1.82 -2.63 132.00 129.26 3llr h PRO 145 Ca 0.00 0.00 -0.02 0.00 0.11 0.00 0.00 66.00 66.09 3llr h PRO 145 Cb 0.09 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 31.20 3llr h PRO 145 CO 0.00 0.00 -0.08 1.57 -0.21 0.00 0.00 178.00 179.28 3llr h LYS 146 N 0.00 0.00 0.00 1.05 2.10 -1.96 -1.92 116.57 115.84 3llr h LYS 146 Ca 0.10 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.75 3llr h LYS 146 Cb 0.47 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.80 3llr h LYS 146 CO -0.00 0.08 0.00 0.41 -2.00 0.00 0.00 179.45 177.94 3llr n GLY 147 N -0.53 -1.28 0.31 0.07 0.00 -0.99 -3.43 105.19 99.34 3llr n GLY 147 Ca -0.01 -0.09 0.12 0.00 0.00 0.00 0.00 46.02 46.04 3llr n GLY 147 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3llr n LEU 148 N -1.46 1.42 -4.77 0.99 4.77 -0.72 -2.11 117.00 115.12 3llr n LEU 148 Ca 0.07 -0.48 -0.33 0.00 -0.03 0.00 0.00 56.01 55.24 3llr n LEU 148 Cb 0.26 -0.07 0.06 0.00 -2.33 0.00 0.00 43.42 41.35 3llr n LEU 148 CO 0.21 0.27 0.74 -1.61 -1.33 0.00 0.00 177.39 175.68 3llr s GLU 149 N -2.58 2.64 0.33 3.23 0.41 -1.22 -4.66 118.70 116.85 3llr s GLU 149 Ca 0.19 1.38 -0.29 0.00 -0.41 0.00 0.00 54.97 55.84 3llr s GLU 149 Cb 0.18 -1.93 -0.11 0.00 -1.78 0.00 0.00 34.13 30.49 3llr s GLU 149 CO 0.59 -1.38 1.54 -2.30 -0.49 0.00 0.00 175.26 173.23 3llr n PRO 150 N -2.64 2.68 0.00 0.39 -0.02 -1.26 -4.98 135.00 129.17 3llr n PRO 150 Ca 0.10 0.95 0.11 0.00 -2.02 0.00 0.00 63.50 62.64 3llr n PRO 150 Cb 0.52 -2.70 0.64 0.00 -0.02 0.00 0.00 33.50 31.94 3llr n PRO 150 CO 0.00 0.00 0.00 -0.35 1.98 0.00 0.00 175.50 177.13