#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3llr n TYR 10 N 0.00 -2.30 -1.50 4.31 0.53 -1.26 -4.96 117.16 111.97 3llr n TYR 10 Ca 0.00 0.82 -0.20 0.00 -1.02 0.00 0.00 57.90 57.50 3llr n TYR 10 Cb 0.00 -4.24 0.13 0.00 -1.03 0.00 0.00 39.34 34.20 3llr n TYR 10 CO 0.00 0.00 0.00 -0.85 -1.02 0.00 0.00 176.86 174.99 3llr n GLU 11 N -3.60 2.50 0.00 -0.72 0.28 -1.26 -4.59 120.64 113.26 3llr n GLU 11 Ca -0.13 -3.39 0.13 0.00 -0.16 0.00 0.00 57.16 53.61 3llr n GLU 11 Cb 0.63 -2.10 0.48 0.00 1.43 0.00 0.00 31.44 31.88 3llr n GLU 11 CO 0.00 0.00 0.00 -0.40 -0.16 0.00 0.00 177.13 176.57 3llr n ASP 12 N -0.99 0.77 -0.17 -1.84 3.85 -1.26 -4.95 116.55 111.96 3llr n ASP 12 Ca 0.48 -0.74 -0.02 0.00 -0.71 0.00 0.00 54.79 53.80 3llr n ASP 12 Cb 1.03 0.04 -0.01 0.00 -1.35 0.00 0.00 41.12 40.83 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 1.31 0.57 0.95 6.12 0.00 -1.26 -4.93 105.19 107.95 3llr n GLY 13 Ca 0.13 -0.63 0.12 0.00 0.00 0.00 0.00 46.02 45.64 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 -2.74 2.30 0.00 1.61 5.12 -1.26 -5.07 116.66 116.62 3llr n ARG 14 Ca -0.02 -1.90 0.00 0.00 -1.93 0.00 0.00 57.85 54.00 3llr n ARG 14 Cb 0.10 -1.47 0.00 0.00 -1.16 0.00 0.00 32.46 29.93 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 1.36 0.11 3.82 -0.13 0.00 -1.26 -4.99 105.19 104.09 3llr n GLY 15 Ca 0.15 -1.07 -0.37 0.00 0.00 0.00 0.00 46.02 44.73 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 6.79 -1.73 -1.32 1.61 3.01 -1.26 -4.95 117.46 119.61 3llr n PHE 16 Ca 0.00 0.32 -0.29 0.00 1.01 0.00 0.00 57.45 58.49 3llr n PHE 16 Cb 0.00 -3.19 0.16 0.00 -0.01 0.00 0.00 39.48 36.44 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 -3.47 1.57 0.27 1.37 0.00 -1.26 -4.94 107.32 100.86 3llr s GLY 17 Ca 0.47 -0.43 -0.30 0.00 0.00 0.00 0.00 44.72 44.46 3llr s GLY 17 CO 0.90 0.16 1.44 1.39 0.00 0.00 0.00 173.10 176.99 3llr n ILE 18 N -4.00 1.16 0.00 0.90 5.41 -1.26 -2.64 119.36 118.94 3llr n ILE 18 Ca 0.06 -0.29 0.00 0.00 1.00 0.00 0.00 62.75 63.52 3llr n ILE 18 Cb 0.58 -1.63 0.00 0.00 -0.71 0.00 0.00 39.64 37.88 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 1.90 1.57 3.74 7.39 0.00 0.41 -4.95 105.19 115.23 3llr n GLY 19 Ca 0.09 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.70 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 -0.69 4.49 -0.04 1.61 2.02 -1.08 -4.60 118.70 120.41 3llr s GLU 20 Ca 0.00 1.87 -0.28 0.00 0.02 0.00 0.00 54.97 56.58 3llr s GLU 20 Cb 0.00 -3.24 -0.03 0.00 0.10 0.00 0.00 34.13 30.96 3llr s GLU 20 CO 0.00 -0.08 0.90 -0.51 0.02 0.00 0.00 175.26 175.59 3llr s LEU 21 N -0.26 4.33 0.13 1.80 1.43 -1.26 -1.54 118.68 123.31 3llr s LEU 21 Ca 0.53 1.49 0.03 0.00 -1.03 0.00 0.00 54.13 55.15 3llr s LEU 21 Cb -0.33 -3.42 -0.04 0.00 0.03 0.00 0.00 46.19 42.43 3llr s LEU 21 CO 0.37 -0.26 -0.07 0.68 0.23 0.00 0.00 176.35 177.30 3llr s VAL 22 N 1.16 0.90 -0.14 -1.59 -7.23 0.81 -1.62 120.40 112.69 3llr s VAL 22 Ca 0.47 -2.00 -0.07 0.00 -1.81 0.00 0.00 61.98 58.58 3llr s VAL 22 Cb -0.20 -1.82 -0.04 0.00 0.56 0.00 0.00 36.38 34.88 3llr s VAL 22 CO 0.23 -0.76 0.10 0.26 -0.31 0.00 0.00 175.10 174.62 3llr s TRP 23 N -3.50 3.41 -0.04 2.82 0.52 0.66 -0.58 118.94 122.24 3llr s TRP 23 Ca 0.16 0.33 0.04 0.00 0.02 0.00 0.00 56.10 56.65 3llr s TRP 23 Cb 0.04 -1.98 -0.01 0.00 -1.15 0.00 0.00 33.47 30.38 3llr s TRP 23 CO -0.01 0.48 -0.17 0.20 0.02 0.00 0.00 176.95 177.47 3llr s GLY 24 N -0.45 0.89 -0.49 0.98 0.00 0.03 -1.34 107.32 106.93 3llr s GLY 24 Ca 0.11 -0.69 -0.06 0.00 0.00 0.00 0.00 44.72 44.09 3llr s GLY 24 CO 0.02 -0.40 0.33 1.25 0.00 0.00 0.00 173.10 174.29 3llr s LYS 25 N -0.05 2.35 -0.51 2.90 2.47 0.13 -1.20 119.74 125.83 3llr s LYS 25 Ca -0.01 -1.98 -0.18 0.00 -1.56 0.00 0.00 55.97 52.23 3llr s LYS 25 Cb -0.10 -3.77 0.07 0.00 -1.46 0.00 0.00 37.83 32.56 3llr s LYS 25 CO 0.01 -1.15 0.58 -1.17 0.16 0.00 0.00 175.35 173.78 3llr s LEU 26 N 0.92 5.19 0.00 5.43 2.96 -1.26 -4.83 118.68 127.09 3llr s LEU 26 Ca 0.10 -1.08 0.00 0.00 -0.22 0.00 0.00 54.13 52.93 3llr s LEU 26 Cb -0.23 -2.37 0.00 0.00 0.50 0.00 0.00 46.19 44.09 3llr s LEU 26 CO -0.03 -0.85 0.00 0.54 -1.32 0.00 0.00 176.35 174.68 3llr n ARG 27 N 5.94 0.00 0.00 1.98 1.74 -1.26 -1.19 116.66 123.87 3llr n ARG 27 Ca -0.08 0.00 0.16 0.00 -0.77 0.00 0.00 57.85 57.15 3llr n ARG 27 Cb 0.45 0.00 0.88 0.00 -1.02 0.00 0.00 32.46 32.76 3llr n ARG 27 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3llr n GLY 28 N 0.00 -1.08 3.88 -0.13 0.00 -1.26 -4.87 105.19 101.72 3llr n GLY 28 Ca 0.00 -0.18 -0.30 0.00 0.00 0.00 0.00 46.02 45.53 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 -2.20 3.33 0.94 1.61 0.08 -0.33 -5.08 117.98 116.32 3llr s PHE 29 Ca 0.41 1.05 -0.12 0.00 0.12 0.00 0.00 56.93 58.39 3llr s PHE 29 Cb 0.21 -3.07 0.15 0.00 -0.57 0.00 0.00 43.02 39.75 3llr s PHE 29 CO 0.40 -1.18 1.11 -1.12 -0.10 0.00 0.00 175.22 174.33 3llr s SER 30 N -4.35 3.19 0.13 1.36 0.01 -1.26 -4.46 113.70 108.31 3llr s SER 30 Ca 0.58 1.16 -0.31 0.00 1.31 0.00 0.00 55.95 58.69 3llr s SER 30 Cb -0.11 -1.80 -0.10 0.00 0.21 0.00 0.00 66.02 64.21 3llr s SER 30 CO 0.52 -2.78 1.79 0.26 0.41 0.00 0.00 173.24 173.44 3llr s TRP 31 N -3.08 2.31 0.01 2.43 0.52 -1.26 -4.45 118.94 115.41 3llr s TRP 31 Ca 0.64 0.08 0.05 0.00 0.02 0.00 0.00 56.10 56.89 3llr s TRP 31 Cb -0.17 -4.15 -0.02 0.00 -1.15 0.00 0.00 33.47 27.99 3llr s TRP 31 CO 0.56 -4.66 -0.16 -0.46 0.02 0.00 0.00 176.95 172.25 3llr s TRP 32 N 2.44 1.40 0.32 -1.98 -0.11 -0.35 -4.89 118.94 115.77 3llr s TRP 32 Ca 0.79 -0.30 -0.28 0.00 1.22 0.00 0.00 56.10 57.53 3llr s TRP 32 Cb -0.46 -0.87 -0.09 0.00 -1.50 0.00 0.00 33.47 30.55 3llr s TRP 32 CO 0.35 0.01 1.15 -2.14 -4.62 0.00 0.00 176.95 171.70 3llr s PRO 33 N -0.69 4.44 0.38 5.86 0.02 -1.26 -0.79 135.00 142.97 3llr s PRO 33 Ca 0.05 1.88 -0.16 0.00 0.02 0.00 0.00 61.00 62.79 3llr s PRO 33 Cb -0.07 -3.03 0.06 0.00 0.02 0.00 0.00 34.50 31.48 3llr s PRO 33 CO 0.00 0.01 0.82 0.20 -0.33 0.00 0.00 177.00 177.70 3llr s GLY 34 N -0.89 0.40 -0.00 0.52 0.00 0.26 -1.52 107.32 106.09 3llr s GLY 34 Ca 0.49 -0.77 0.02 0.00 0.00 0.00 0.00 44.72 44.46 3llr s GLY 34 CO 0.42 -0.08 -0.07 1.09 0.00 0.00 0.00 173.10 174.46 3llr s ARG 35 N -2.11 0.56 -0.08 2.90 1.70 -0.56 -0.13 118.95 121.24 3llr s ARG 35 Ca 0.17 -0.28 -0.30 0.00 -0.47 0.00 0.00 55.73 54.85 3llr s ARG 35 Cb -0.05 -0.54 -0.04 0.00 -0.57 0.00 0.00 34.95 33.76 3llr s ARG 35 CO 0.11 0.15 1.38 0.42 -1.08 0.00 0.00 175.30 176.28 3llr s ILE 36 N -0.23 3.96 0.36 4.99 -1.09 -0.59 -1.49 121.20 127.11 3llr s ILE 36 Ca 0.02 1.24 0.09 0.00 -2.23 0.00 0.00 60.65 59.77 3llr s ILE 36 Cb -0.03 -3.80 -0.07 0.00 -1.58 0.00 0.00 42.46 36.98 3llr s ILE 36 CO -0.00 -0.06 -0.06 0.68 -1.23 0.00 0.00 174.94 174.26 3llr s VAL 37 N 3.10 2.22 0.59 2.92 -7.23 -0.50 -0.45 120.40 121.04 3llr s VAL 37 Ca 0.61 -2.14 -0.15 0.00 -1.81 0.00 0.00 61.98 58.49 3llr s VAL 37 Cb -0.27 -2.73 -0.04 0.00 0.56 0.00 0.00 36.38 33.89 3llr s VAL 37 CO 0.22 -0.16 1.03 -0.55 -0.31 0.00 0.00 175.10 175.34 3llr s SER 38 N -3.64 6.01 0.36 4.85 0.15 -1.26 -4.38 113.70 115.79 3llr s SER 38 Ca 0.33 1.69 0.09 0.00 0.70 0.00 0.00 55.95 58.76 3llr s SER 38 Cb 0.04 -2.52 0.68 0.00 -1.71 0.00 0.00 66.02 62.52 3llr s SER 38 CO 0.17 -1.01 1.85 4.11 1.20 0.00 0.00 173.24 179.56 3llr h TRP 39 N 0.37 0.26 0.00 3.44 5.08 -1.94 -3.17 115.95 119.99 3llr h TRP 39 Ca -0.46 -0.04 0.00 0.00 1.08 0.00 0.00 58.89 59.47 3llr h TRP 39 Cb 1.21 -0.07 0.00 0.00 -3.00 0.00 0.00 29.16 27.30 3llr h TRP 39 CO 0.61 0.44 0.00 -2.67 -1.28 0.00 0.00 178.44 175.54 3llr n TRP 40 N -4.20 0.00 0.78 0.12 4.27 -1.26 -2.12 117.44 115.03 3llr n TRP 40 Ca -0.01 0.00 0.12 0.00 -3.89 0.00 0.00 57.50 53.72 3llr n TRP 40 Cb 0.33 -0.48 0.13 0.00 -1.36 0.00 0.00 31.31 29.94 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 -1.48 0.15 0.14 -2.67 0.00 -1.20 -4.13 117.12 107.94 3llr n MET 41 Ca 0.06 0.02 0.04 0.00 0.00 0.00 0.00 57.70 57.81 3llr n MET 41 Cb 0.25 -1.56 0.03 0.00 0.00 0.00 0.00 33.22 31.94 3llr n MET 41 CO 0.00 0.00 0.00 1.79 0.00 0.00 0.00 175.97 177.76 3llr h THR 42 N 0.00 0.71 0.00 3.17 1.35 -1.57 -3.47 112.91 113.09 3llr h THR 42 Ca 0.00 -2.02 0.00 0.00 -0.55 0.00 0.00 66.41 63.84 3llr h THR 42 Cb 0.62 2.32 0.00 0.00 -1.73 0.00 0.00 68.15 69.36 3llr h THR 42 CO 0.00 0.40 0.00 0.61 -0.25 0.00 0.00 175.52 176.28 3llr n GLY 43 N 1.22 1.44 0.00 5.82 0.00 -1.25 -5.00 105.19 107.42 3llr n GLY 43 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.03 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 -2.00 3.88 -3.94 1.61 5.12 -1.26 -5.11 116.66 114.96 3llr n ARG 44 Ca 0.00 0.00 -0.24 0.00 -1.93 0.00 0.00 57.85 55.68 3llr n ARG 44 Cb 0.00 0.00 -0.05 0.00 -1.16 0.00 0.00 32.46 31.25 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 -0.67 4.64 0.44 0.55 1.04 -1.26 -4.81 113.70 113.63 3llr s SER 45 Ca 0.00 -1.04 -0.24 0.00 0.48 0.00 0.00 55.95 55.15 3llr s SER 45 Cb 0.00 -0.28 -0.09 0.00 0.10 0.00 0.00 66.02 65.74 3llr s SER 45 CO 0.00 -0.70 1.19 0.54 0.98 0.00 0.00 173.24 175.24 3llr n ARG 46 N -1.44 1.69 -2.58 4.02 1.74 -1.26 -4.92 116.66 113.90 3llr n ARG 46 Ca -0.00 0.60 -0.41 0.00 -0.77 0.00 0.00 57.85 57.27 3llr n ARG 46 Cb 0.64 -2.29 -0.04 0.00 -1.02 0.00 0.00 32.46 29.75 3llr n ARG 46 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3llr s ALA 47 N -1.25 3.32 0.90 7.54 0.00 -1.26 -5.04 121.76 125.97 3llr s ALA 47 Ca 0.63 0.72 -0.11 0.00 0.00 0.00 0.00 51.96 53.20 3llr s ALA 47 Cb -0.51 -3.34 0.13 0.00 0.00 0.00 0.00 23.12 19.40 3llr s ALA 47 CO 0.56 -0.19 1.09 0.00 0.00 0.00 0.00 175.76 177.23 3llr s ALA 48 N 0.13 1.53 0.11 0.00 0.00 -1.26 -4.89 121.76 117.37 3llr s ALA 48 Ca 0.50 -0.04 -0.35 0.00 0.00 0.00 0.00 51.96 52.07 3llr s ALA 48 Cb -0.27 -3.20 -0.17 0.00 0.00 0.00 0.00 23.12 19.49 3llr s ALA 48 CO 0.32 -2.37 1.25 -1.91 0.00 0.00 0.00 175.76 173.04 3llr n GLU 49 N -3.90 1.06 -1.03 0.00 0.00 -1.26 -1.90 120.64 113.62 3llr n GLU 49 Ca 0.07 0.38 -0.01 0.00 0.00 0.00 0.00 57.16 57.60 3llr n GLU 49 Cb 0.55 -1.95 -0.00 0.00 0.00 0.00 0.00 31.44 30.04 3llr n GLU 49 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 3llr n GLY 50 N 2.26 0.49 3.17 8.31 0.00 -1.26 -5.03 105.19 113.13 3llr n GLY 50 Ca 0.17 -0.55 -0.13 0.00 0.00 0.00 0.00 46.02 45.51 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 -2.00 0.86 0.03 2.61 -4.23 -0.80 -1.81 115.64 110.31 3llr s THR 51 Ca 0.00 -1.66 0.04 0.00 -1.18 0.00 0.00 61.69 58.89 3llr s THR 51 Cb 0.00 -1.37 -0.02 0.00 1.34 0.00 0.00 72.50 72.45 3llr s THR 51 CO 0.00 -0.61 -0.12 -0.13 -0.54 0.00 0.00 174.62 173.22 3llr s ARG 52 N -2.92 0.82 -0.17 3.99 1.81 0.77 -4.68 118.95 118.58 3llr s ARG 52 Ca 0.06 -0.68 -0.29 0.00 -1.72 0.00 0.00 55.73 53.10 3llr s ARG 52 Cb -0.02 -0.79 -0.00 0.00 -0.45 0.00 0.00 34.95 33.69 3llr s ARG 52 CO -0.01 0.19 1.01 -1.58 -0.68 0.00 0.00 175.30 174.24 3llr s TRP 53 N -0.82 3.42 -0.06 -0.53 0.52 -1.26 -0.69 118.94 119.52 3llr s TRP 53 Ca 0.00 1.51 0.06 0.00 0.02 0.00 0.00 56.10 57.69 3llr s TRP 53 Cb -0.07 -3.22 -0.01 0.00 -1.15 0.00 0.00 33.47 29.02 3llr s TRP 53 CO 0.01 -0.35 -0.25 0.54 0.02 0.00 0.00 176.95 176.92 3llr s VAL 54 N 2.61 2.03 -0.28 4.03 0.11 -0.37 -1.41 120.40 127.10 3llr s VAL 54 Ca 0.45 -1.04 -0.17 0.00 -2.93 0.00 0.00 61.98 58.29 3llr s VAL 54 Cb -0.17 -1.72 -0.02 0.00 -1.53 0.00 0.00 36.38 32.94 3llr s VAL 54 CO 0.12 0.56 0.47 -0.32 -3.33 0.00 0.00 175.10 172.60 3llr s MET 55 N -0.08 3.95 0.26 1.54 1.75 -0.56 -1.74 119.30 124.42 3llr s MET 55 Ca -0.06 0.12 -0.30 0.00 -1.25 0.00 0.00 55.69 54.21 3llr s MET 55 Cb -0.14 -3.69 -0.09 0.00 2.84 0.00 0.00 34.83 33.74 3llr s MET 55 CO 0.04 -0.40 1.02 -1.58 -0.65 0.00 0.00 175.02 173.45 3llr s TRP 56 N 2.26 3.79 0.70 4.11 0.52 -0.11 -1.49 118.94 128.72 3llr s TRP 56 Ca 0.19 1.81 -0.11 0.00 0.02 0.00 0.00 56.10 58.01 3llr s TRP 56 Cb -0.16 -3.12 0.01 0.00 -1.15 0.00 0.00 33.47 29.05 3llr s TRP 56 CO 0.10 -0.02 1.07 -0.06 0.02 0.00 0.00 176.95 178.06 3llr s PHE 57 N -1.18 3.19 0.00 -1.98 0.40 -0.57 -1.57 117.98 116.28 3llr s PHE 57 Ca 0.43 1.28 0.00 0.00 -0.60 0.00 0.00 56.93 58.04 3llr s PHE 57 Cb -0.29 -2.92 0.00 0.00 0.51 0.00 0.00 43.02 40.32 3llr s PHE 57 CO 0.36 -1.22 0.00 0.41 0.70 0.00 0.00 175.22 175.47 3llr n GLY 58 N -2.32 1.86 0.00 4.36 0.00 -1.26 -4.48 105.19 103.35 3llr n GLY 58 Ca 0.07 -0.63 0.00 0.00 0.00 0.00 0.00 46.02 45.46 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 3.80 0.73 -0.13 1.61 5.68 -1.26 -4.88 116.55 122.10 3llr n ASP 59 Ca 0.00 -0.89 -0.02 0.00 -0.50 0.00 0.00 54.79 53.38 3llr n ASP 59 Cb 0.00 0.19 -0.01 0.00 -1.14 0.00 0.00 41.12 40.16 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 0.19 0.49 3.75 6.12 0.00 -0.61 -5.01 105.19 110.12 3llr n GLY 60 Ca 0.00 -0.20 -0.34 0.00 0.00 0.00 0.00 46.02 45.48 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 -1.13 2.64 -0.09 1.61 1.02 -1.25 -4.56 119.74 117.96 3llr s LYS 61 Ca 0.00 1.55 -0.02 0.00 0.02 0.00 0.00 55.97 57.52 3llr s LYS 61 Cb 0.00 -1.92 -0.03 0.00 -0.52 0.00 0.00 37.83 35.36 3llr s LYS 61 CO 0.00 -1.41 0.01 -0.06 -0.92 0.00 0.00 175.35 172.97 3llr s PHE 62 N -2.14 3.17 -0.05 3.18 0.40 -1.26 -0.93 117.98 120.35 3llr s PHE 62 Ca 0.70 0.18 -0.09 0.00 -0.60 0.00 0.00 56.93 57.13 3llr s PHE 62 Cb -0.24 -1.81 0.02 0.00 0.51 0.00 0.00 43.02 41.49 3llr s PHE 62 CO 0.41 0.45 0.21 -1.12 0.70 0.00 0.00 175.22 175.86 3llr s SER 63 N -0.79 -0.15 -0.07 1.36 0.01 -0.71 -5.00 113.70 108.35 3llr s SER 63 Ca 0.12 0.20 -0.28 0.00 1.31 0.00 0.00 55.95 57.30 3llr s SER 63 Cb -0.11 0.36 -0.02 0.00 0.21 0.00 0.00 66.02 66.45 3llr s SER 63 CO 0.02 -0.22 0.92 -0.69 0.41 0.00 0.00 173.24 173.69 3llr s VAL 64 N -0.53 4.87 -0.03 3.43 1.01 -1.26 -1.24 120.40 126.64 3llr s VAL 64 Ca -0.06 1.89 0.02 0.00 0.00 0.00 0.00 61.98 63.83 3llr s VAL 64 Cb -0.04 -4.25 0.01 0.00 0.00 0.00 0.00 36.38 32.11 3llr s VAL 64 CO 0.01 0.10 -0.07 -0.69 0.00 0.00 0.00 175.10 174.45 3llr s VAL 65 N 1.51 0.64 0.49 2.92 1.01 0.13 -4.94 120.40 122.15 3llr s VAL 65 Ca 0.46 -0.24 -0.21 0.00 0.00 0.00 0.00 61.98 61.99 3llr s VAL 65 Cb -0.19 -0.61 -0.07 0.00 0.00 0.00 0.00 36.38 35.51 3llr s VAL 65 CO 0.21 0.22 1.12 0.00 0.00 0.00 0.00 175.10 176.65 3llr h VAL 67 N 1.58 0.60 0.00 0.00 -1.51 -1.71 -0.31 116.25 114.89 3llr h VAL 67 Ca -0.50 -0.29 -0.01 0.00 -1.23 0.00 0.00 66.70 64.67 3llr h VAL 67 Cb 1.25 1.18 -0.00 0.00 -2.13 0.00 0.00 31.29 31.59 3llr h VAL 67 CO 0.59 0.07 -0.06 -0.33 -1.23 0.00 0.00 177.57 176.61 3llr h GLU 68 N 0.00 0.00 -0.53 5.19 3.07 -1.92 -2.20 114.58 118.19 3llr h GLU 68 Ca -0.00 0.00 -0.09 0.00 -0.50 0.00 0.00 59.36 58.77 3llr h GLU 68 Cb 0.18 0.00 -0.06 0.00 -0.84 0.00 0.00 28.75 28.03 3llr h GLU 68 CO 0.01 0.06 0.09 1.63 -1.40 0.00 0.00 179.01 179.40 3llr n LYS 69 N -3.87 3.67 -5.18 2.33 4.76 -0.13 -4.93 118.16 114.81 3llr n LYS 69 Ca -0.03 -3.05 -0.29 0.00 -2.87 0.00 0.00 58.31 52.07 3llr n LYS 69 Cb 0.15 -2.09 -0.16 0.00 -1.84 0.00 0.00 35.03 31.09 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 -2.91 2.04 0.07 -0.35 1.43 -0.83 -0.69 118.68 117.44 3llr s LEU 70 Ca 0.51 -0.43 0.05 0.00 -1.03 0.00 0.00 54.13 53.22 3llr s LEU 70 Cb 0.40 -1.22 -0.03 0.00 0.03 0.00 0.00 46.19 45.38 3llr s LEU 70 CO 0.12 0.29 -0.13 -0.04 0.23 0.00 0.00 176.35 176.81 3llr s MET 71 N -0.53 0.79 0.80 1.70 -1.94 -0.45 -4.99 119.30 114.68 3llr s MET 71 Ca 0.08 -0.94 -0.13 0.00 -1.71 0.00 0.00 55.69 52.99 3llr s MET 71 Cb -0.09 -0.76 0.08 0.00 2.01 0.00 0.00 34.83 36.07 3llr s MET 71 CO -0.01 0.16 1.17 -1.25 -0.01 0.00 0.00 175.02 175.08 3llr s PRO 72 N -1.78 1.77 0.40 2.03 0.04 -1.26 -0.24 135.00 135.96 3llr s PRO 72 Ca -0.02 1.59 0.13 0.00 0.04 0.00 0.00 61.00 62.74 3llr s PRO 72 Cb -0.10 -1.81 0.95 0.00 0.04 0.00 0.00 34.50 33.59 3llr s PRO 72 CO 0.02 -2.08 1.91 1.25 0.04 0.00 0.00 177.00 178.14 3llr h LEU 73 N -0.96 0.49 -2.33 -3.56 5.85 -1.59 -1.73 115.31 111.48 3llr h LEU 73 Ca -0.45 0.03 0.02 0.00 0.84 0.00 0.00 57.88 58.31 3llr h LEU 73 Cb 1.28 -0.07 -0.00 0.00 0.37 0.00 0.00 40.66 42.23 3llr h LEU 73 CO 0.47 0.26 0.22 0.77 -0.34 0.00 0.00 178.44 179.82 3llr h SER 74 N 0.53 0.00 -0.04 1.25 4.64 -1.91 -1.49 113.55 116.53 3llr h SER 74 Ca 0.38 0.00 -0.03 0.00 -0.47 0.00 0.00 61.79 61.68 3llr h SER 74 Cb 0.74 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.82 3llr h SER 74 CO -0.14 0.00 0.03 -1.20 -0.87 0.00 0.00 176.83 174.65 3llr n SER 75 N -3.19 4.45 -0.05 4.97 7.64 -0.65 -4.61 113.62 122.19 3llr n SER 75 Ca -0.01 -2.31 -0.08 0.00 1.01 0.00 0.00 58.87 57.49 3llr n SER 75 Cb 0.29 -0.87 -0.02 0.00 -1.01 0.00 0.00 64.21 62.61 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 0.63 -0.34 0.00 1.43 3.57 -1.50 -2.57 116.94 118.16 3llr h PHE 76 Ca 0.03 0.03 -0.02 0.00 3.53 0.00 0.00 57.97 61.53 3llr h PHE 76 Cb 1.03 0.19 -0.00 0.00 2.79 0.00 0.00 35.95 39.95 3llr h PHE 76 CO 0.20 -0.21 -0.11 0.00 -2.23 0.00 0.00 178.31 175.96 3llr h SER 78 N 0.00 0.00 0.00 0.00 0.02 -1.84 -3.38 113.55 108.35 3llr h SER 78 Ca -0.00 0.00 -0.15 0.00 -0.84 0.00 0.00 61.79 60.80 3llr h SER 78 Cb 0.22 0.00 -0.03 0.00 0.14 0.00 0.00 62.40 62.73 3llr h SER 78 CO 0.01 0.03 -1.55 0.00 -1.14 0.00 0.00 176.83 174.18 3llr n ALA 79 N -2.11 1.80 -2.03 3.77 0.00 -0.76 -5.00 120.51 116.17 3llr n ALA 79 Ca 0.04 -0.49 -0.42 0.00 0.00 0.00 0.00 53.44 52.57 3llr n ALA 79 Cb 0.52 0.15 -0.03 0.00 0.00 0.00 0.00 19.45 20.09 3llr n ALA 79 CO 0.00 0.00 0.00 0.12 0.00 0.00 0.00 177.50 177.62 3llr s PHE 80 N -2.19 3.06 -0.18 0.00 5.36 0.26 -4.70 117.98 119.59 3llr s PHE 80 Ca -0.07 0.72 0.01 0.00 -0.96 0.00 0.00 56.93 56.63 3llr s PHE 80 Cb 0.03 -3.83 0.03 0.00 -0.34 0.00 0.00 43.02 38.91 3llr s PHE 80 CO 0.29 -3.04 -0.13 -1.01 -1.46 0.00 0.00 175.22 169.87 3llr s HIS 81 N 1.34 2.40 0.33 10.12 3.76 -1.26 -4.94 115.29 127.04 3llr s HIS 81 Ca 0.68 -1.48 0.03 0.00 -0.15 0.00 0.00 55.06 54.14 3llr s HIS 81 Cb -0.40 -1.67 0.58 0.00 1.11 0.00 0.00 32.58 32.19 3llr s HIS 81 CO 0.31 -0.73 1.89 0.37 -0.85 0.00 0.00 174.74 175.72 3llr h GLN 82 N 7.99 0.62 0.32 1.40 5.75 -1.99 -2.15 115.11 127.05 3llr h GLN 82 Ca -0.34 -0.12 -0.02 0.00 -0.15 0.00 0.00 58.65 58.03 3llr h GLN 82 Cb 1.12 -0.10 0.00 0.00 1.07 0.00 0.00 27.48 29.57 3llr h GLN 82 CO 0.52 0.58 -0.15 0.00 -2.65 0.00 0.00 178.83 177.13 3llr h ALA 83 N 1.49 -0.43 -0.74 3.38 0.00 -1.99 0.75 119.26 121.72 3llr h ALA 83 Ca 0.14 -0.10 0.09 0.00 0.00 0.00 0.00 54.91 55.03 3llr h ALA 83 Cb 0.26 0.17 -0.07 0.00 0.00 0.00 0.00 17.79 18.15 3llr h ALA 83 CO 0.00 -0.72 0.40 1.15 0.00 0.00 0.00 179.25 180.07 3llr h THR 84 N -0.46 0.88 -0.22 0.00 2.02 -1.97 -2.36 112.91 110.80 3llr h THR 84 Ca -0.04 -0.23 0.04 0.00 0.77 0.00 0.00 66.41 66.94 3llr h THR 84 Cb 0.35 0.15 -0.03 0.00 -1.74 0.00 0.00 68.15 66.87 3llr h THR 84 CO 0.07 0.12 0.00 0.22 0.37 0.00 0.00 175.52 176.31 3llr h TYR 85 N 0.67 -0.00 0.00 3.16 3.20 -0.94 -0.47 116.97 122.59 3llr h TYR 85 Ca 0.36 0.02 -0.03 0.00 3.14 0.00 0.00 58.73 62.22 3llr h TYR 85 Cb 0.35 0.04 -0.00 0.00 1.54 0.00 0.00 36.73 38.65 3llr h TYR 85 CO -0.09 -0.03 -0.13 -0.91 -1.64 0.00 0.00 178.16 175.37 3llr h ASN 86 N 0.08 0.00 0.04 -2.11 2.35 -0.36 -3.28 115.58 112.29 3llr h ASN 86 Ca 0.11 0.00 -0.37 0.00 -0.55 0.00 0.00 56.30 55.48 3llr h ASN 86 Cb 0.13 0.00 -0.07 0.00 0.05 0.00 0.00 38.32 38.43 3llr h ASN 86 CO -0.17 0.13 -2.36 0.29 -1.65 0.00 0.00 177.43 173.66 3llr n LYS 87 N -3.54 0.67 -3.74 0.81 5.02 -0.94 -4.94 118.16 111.50 3llr n LYS 87 Ca -0.01 0.08 -0.38 0.00 -2.02 0.00 0.00 58.31 55.98 3llr n LYS 87 Cb 0.27 -1.55 -0.12 0.00 -0.02 0.00 0.00 35.03 33.60 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 -2.51 2.88 0.38 1.97 -0.21 -0.21 -4.98 119.66 116.97 3llr s GLN 88 Ca -0.19 -1.01 0.06 0.00 0.02 0.00 0.00 55.36 54.24 3llr s GLN 88 Cb 0.07 -3.44 0.75 0.00 1.00 0.00 0.00 33.01 31.39 3llr s GLN 88 CO 0.74 -0.55 1.96 -1.35 -2.12 0.00 0.00 175.29 173.97 3llr h PRO 89 N 8.24 0.47 -0.43 2.91 0.11 -1.88 -2.55 132.00 138.88 3llr h PRO 89 Ca -0.28 -0.07 -0.08 0.00 0.11 0.00 0.00 66.00 65.68 3llr h PRO 89 Cb 1.11 -0.09 -0.02 0.00 0.11 0.00 0.00 31.00 32.11 3llr h PRO 89 CO 0.61 0.44 -0.07 1.98 -0.21 0.00 0.00 178.00 180.74 3llr h MET 90 N 0.47 0.73 -0.30 1.05 4.05 -1.96 -2.22 114.93 116.76 3llr h MET 90 Ca 0.11 -0.22 -0.07 0.00 -0.28 0.00 0.00 59.70 59.24 3llr h MET 90 Cb 0.18 -0.07 -0.01 0.00 -0.80 0.00 0.00 31.60 30.89 3llr h MET 90 CO -0.00 0.79 -0.10 -0.92 0.23 0.00 0.00 176.91 176.91 3llr h TYR 91 N 0.67 0.67 -0.86 1.39 3.20 -1.81 -0.33 116.97 119.90 3llr h TYR 91 Ca 0.12 -0.15 0.02 0.00 3.14 0.00 0.00 58.73 61.86 3llr h TYR 91 Cb 0.52 -0.16 -0.05 0.00 1.54 0.00 0.00 36.73 38.58 3llr h TYR 91 CO 0.03 0.80 0.57 0.00 -1.64 0.00 0.00 178.16 177.91 3llr h ARG 92 N 0.35 1.10 -0.31 1.82 3.08 -1.40 -0.75 114.38 118.27 3llr h ARG 92 Ca 0.07 -0.07 -0.01 0.00 0.07 0.00 0.00 59.98 60.05 3llr h ARG 92 Cb 0.60 -0.25 -0.01 0.00 0.08 0.00 0.00 29.97 30.39 3llr h ARG 92 CO 0.04 0.73 0.16 -0.22 -1.07 0.00 0.00 179.97 179.60 3llr h LYS 93 N 1.14 0.45 -0.99 0.04 3.64 -1.22 -0.78 116.57 118.84 3llr h LYS 93 Ca 0.33 -0.06 0.04 0.00 -1.27 0.00 0.00 60.65 59.69 3llr h LYS 93 Cb -0.08 -0.08 -0.06 0.00 -0.41 0.00 0.00 32.23 31.59 3llr h LYS 93 CO -0.09 0.40 0.65 0.00 -2.27 0.00 0.00 179.45 178.15 3llr h ALA 94 N 1.02 1.33 -0.11 5.00 0.00 -0.61 -0.69 119.26 125.21 3llr h ALA 94 Ca 0.11 -0.04 -0.02 0.00 0.00 0.00 0.00 54.91 54.96 3llr h ALA 94 Cb 0.10 -0.35 -0.00 0.00 0.00 0.00 0.00 17.79 17.54 3llr h ALA 94 CO -0.02 0.53 0.01 0.82 0.00 0.00 0.00 179.25 180.59 3llr h ILE 95 N 1.24 1.24 -0.18 0.00 1.08 -0.88 -1.83 117.51 118.18 3llr h ILE 95 Ca 0.40 -0.75 0.05 0.00 -0.39 0.00 0.00 64.86 64.17 3llr h ILE 95 Cb 0.03 1.53 -0.07 0.00 -3.07 0.00 0.00 36.82 35.24 3llr h ILE 95 CO -0.13 0.22 -0.34 0.22 -0.69 0.00 0.00 178.15 177.42 3llr h TYR 96 N -0.07 -0.95 -0.15 1.37 3.20 -0.80 -1.69 116.97 117.88 3llr h TYR 96 Ca 0.03 0.04 0.00 0.00 3.14 0.00 0.00 58.73 61.95 3llr h TYR 96 Cb 0.33 0.45 -0.01 0.00 1.54 0.00 0.00 36.73 39.03 3llr h TYR 96 CO 0.03 -0.41 0.10 0.93 -1.64 0.00 0.00 178.16 177.16 3llr h GLU 97 N -0.39 0.20 -0.20 1.82 5.08 -1.08 0.07 114.58 120.08 3llr h GLU 97 Ca 0.11 -0.01 -0.09 0.00 -1.00 0.00 0.00 59.36 58.36 3llr h GLU 97 Cb 0.56 -0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.75 3llr h GLU 97 CO -0.40 0.15 -0.27 -0.24 -1.00 0.00 0.00 179.01 177.26 3llr h VAL 98 N 0.19 1.26 0.00 3.13 3.04 -1.22 -2.07 116.25 120.58 3llr h VAL 98 Ca 0.05 -1.24 -0.19 0.00 -1.01 0.00 0.00 66.70 64.32 3llr h VAL 98 Cb -0.00 1.40 -0.03 0.00 -2.01 0.00 0.00 31.29 30.65 3llr h VAL 98 CO -0.01 0.39 -0.88 -0.07 -1.01 0.00 0.00 177.57 175.98 3llr h LEU 99 N 0.34 0.00 -0.16 3.16 3.38 -1.12 -0.75 115.31 120.16 3llr h LEU 99 Ca 0.05 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.02 3llr h LEU 99 Cb 0.65 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.39 3llr h LEU 99 CO 0.05 0.88 0.08 1.56 0.09 0.00 0.00 178.44 181.10 3llr h GLN 100 N 0.00 0.23 -0.55 1.13 1.08 -0.75 -0.30 115.11 115.93 3llr h GLN 100 Ca -0.01 -0.03 -0.04 0.00 -1.45 0.00 0.00 58.65 57.12 3llr h GLN 100 Cb 1.68 -0.04 -0.02 0.00 -0.05 0.00 0.00 27.48 29.04 3llr h GLN 100 CO 0.11 0.26 0.19 0.28 -0.95 0.00 0.00 178.83 178.72 3llr h VAL 101 N 0.14 1.23 -0.31 -0.54 2.07 -1.34 -2.36 116.25 115.14 3llr h VAL 101 Ca 0.06 -0.77 -0.02 0.00 0.82 0.00 0.00 66.70 66.78 3llr h VAL 101 Cb 0.10 0.69 -0.01 0.00 -1.52 0.00 0.00 31.29 30.55 3llr h VAL 101 CO -0.01 0.29 0.10 0.00 0.02 0.00 0.00 177.57 177.97 3llr h ALA 102 N 1.05 0.41 0.00 1.67 0.00 -1.07 -2.59 119.26 118.73 3llr h ALA 102 Ca 0.18 -0.15 -0.09 0.00 0.00 0.00 0.00 54.91 54.85 3llr h ALA 102 Cb 0.26 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.92 3llr h ALA 102 CO -0.01 0.04 -0.42 0.66 0.00 0.00 0.00 179.25 179.51 3llr h SER 103 N 0.34 0.00 -0.38 0.00 4.64 -1.02 -1.75 113.55 115.39 3llr h SER 103 Ca 0.10 0.00 -0.08 0.00 -0.47 0.00 0.00 61.79 61.34 3llr h SER 103 Cb 0.24 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.31 3llr h SER 103 CO -0.00 0.42 -0.09 -1.28 -0.87 0.00 0.00 176.83 175.01 3llr h SER 104 N 0.00 0.73 -0.57 4.97 0.87 -1.31 0.14 113.55 118.37 3llr h SER 104 Ca -0.00 -0.36 -0.06 0.00 -1.23 0.00 0.00 61.79 60.13 3llr h SER 104 Cb 0.83 -0.20 -0.02 0.00 -0.44 0.00 0.00 62.40 62.57 3llr h SER 104 CO 0.06 0.92 0.10 0.03 -0.53 0.00 0.00 176.83 177.41 3llr h ARG 105 N 0.53 0.94 0.00 2.24 3.08 -1.21 -3.00 114.38 116.95 3llr h ARG 105 Ca 0.10 -0.25 0.00 0.00 0.07 0.00 0.00 59.98 59.90 3llr h ARG 105 Cb 0.60 -0.11 0.00 0.00 0.08 0.00 0.00 29.97 30.54 3llr h ARG 105 CO 0.04 0.89 0.00 0.00 -1.07 0.00 0.00 179.97 179.83 3llr n ALA 106 N -2.42 2.05 -2.55 0.04 0.00 -0.68 -4.86 120.51 112.09 3llr n ALA 106 Ca 0.03 -0.02 -0.17 0.00 0.00 0.00 0.00 53.44 53.28 3llr n ALA 106 Cb 0.26 -1.42 0.01 0.00 0.00 0.00 0.00 19.45 18.30 3llr n ALA 106 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3llr n GLY 107 N 0.84 -0.31 3.58 0.00 0.00 -0.51 -4.89 105.19 103.90 3llr n GLY 107 Ca 0.05 -0.12 -0.42 0.00 0.00 0.00 0.00 46.02 45.52 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 -5.10 3.73 -0.09 1.61 2.47 0.36 -5.03 119.74 117.68 3llr s LYS 108 Ca 0.10 0.27 -0.14 0.00 -1.56 0.00 0.00 55.97 54.63 3llr s LYS 108 Cb -0.04 -3.82 -0.05 0.00 -1.46 0.00 0.00 37.83 32.46 3llr s LYS 108 CO 0.12 -0.86 0.36 -0.51 0.16 0.00 0.00 175.35 174.62 3llr s LEU 109 N 3.08 4.34 -0.12 5.43 1.43 -1.26 -4.65 118.68 126.94 3llr s LEU 109 Ca 0.31 0.73 0.01 0.00 -1.03 0.00 0.00 54.13 54.14 3llr s LEU 109 Cb -0.13 -2.49 -0.01 0.00 0.03 0.00 0.00 46.19 43.58 3llr s LEU 109 CO 0.17 0.18 -0.14 -0.36 0.23 0.00 0.00 176.35 176.43 3llr s PHE 110 N -0.15 2.77 -1.06 0.29 0.40 -1.26 -5.17 117.98 113.79 3llr s PHE 110 Ca 0.21 -0.64 0.00 0.00 -0.60 0.00 0.00 56.93 55.90 3llr s PHE 110 Cb -0.15 -1.80 0.00 0.00 0.51 0.00 0.00 43.02 41.58 3llr s PHE 110 CO 0.08 -0.19 0.31 -0.35 0.70 0.00 0.00 175.22 175.77 3llr n PRO 111 N 3.39 0.59 -0.51 0.24 -0.04 -1.26 -5.21 135.00 132.21 3llr n PRO 111 Ca -0.18 0.00 0.42 0.00 -0.04 0.00 0.00 63.50 63.70 3llr n PRO 111 Cb 0.53 -1.28 0.70 0.00 -0.04 0.00 0.00 33.50 33.41 3llr n PRO 111 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3llr h ALA 122 N 1.62 3.00 -0.38 0.55 0.00 -2.00 -3.53 119.26 118.51 3llr h ALA 122 Ca 0.00 0.09 -0.14 0.00 0.00 0.00 0.00 54.91 54.86 3llr h ALA 122 Cb 0.28 0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.28 3llr h ALA 122 CO 0.00 -1.65 -0.31 0.87 0.00 0.00 0.00 179.25 178.16 3llr h LYS 123 N 0.02 0.88 -0.54 0.00 1.57 -2.04 -2.30 116.57 114.16 3llr h LYS 123 Ca 0.88 -0.44 -0.05 0.00 -1.87 0.00 0.00 60.65 59.17 3llr h LYS 123 Cb 2.93 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 35.22 3llr h LYS 123 CO -0.37 1.08 0.13 0.00 -0.57 0.00 0.00 179.45 179.72 3llr h ALA 124 N 0.78 1.20 -0.27 3.86 0.00 -2.05 -1.00 119.26 121.77 3llr h ALA 124 Ca 0.07 -0.21 -0.00 0.00 0.00 0.00 0.00 54.91 54.77 3llr h ALA 124 Cb 0.89 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.45 3llr h ALA 124 CO 0.08 0.55 0.15 0.28 0.00 0.00 0.00 179.25 180.31 3llr h VAL 125 N 0.81 1.12 -0.87 0.00 2.07 -1.97 -1.92 116.25 115.48 3llr h VAL 125 Ca 0.18 -0.30 -0.03 0.00 0.82 0.00 0.00 66.70 67.37 3llr h VAL 125 Cb 0.30 0.82 -0.04 0.00 -1.52 0.00 0.00 31.29 30.85 3llr h VAL 125 CO -0.00 0.11 0.44 -0.33 0.02 0.00 0.00 177.57 177.82 3llr h GLU 126 N 0.33 1.23 0.09 1.57 5.08 -0.94 -1.17 114.58 120.78 3llr h GLU 126 Ca 0.10 -0.17 -0.00 0.00 -1.00 0.00 0.00 59.36 58.29 3llr h GLU 126 Cb 0.05 -0.23 0.00 0.00 0.50 0.00 0.00 28.75 29.07 3llr h GLU 126 CO -0.02 0.93 -0.04 0.28 -1.00 0.00 0.00 179.01 179.16 3llr h VAL 127 N 1.23 1.15 0.00 3.13 2.07 -1.13 -3.27 116.25 119.43 3llr h VAL 127 Ca 0.30 -1.01 -0.06 0.00 0.82 0.00 0.00 66.70 66.75 3llr h VAL 127 Cb 0.08 1.78 -0.01 0.00 -1.52 0.00 0.00 31.29 31.63 3llr h VAL 127 CO -0.04 0.24 -0.26 1.56 0.02 0.00 0.00 177.57 179.09 3llr h GLN 128 N -0.60 0.00 -0.72 1.57 4.20 -1.33 -3.13 115.11 115.09 3llr h GLN 128 Ca -0.01 0.00 -0.06 0.00 0.06 0.00 0.00 58.65 58.64 3llr h GLN 128 Cb 0.49 0.00 -0.03 0.00 0.30 0.00 0.00 27.48 28.24 3llr h GLN 128 CO 0.02 0.26 0.22 -0.91 -0.67 0.00 0.00 178.83 177.76 3llr h ASN 129 N 0.00 1.06 -0.31 1.46 -0.26 -1.26 -3.30 115.58 112.97 3llr h ASN 129 Ca -0.00 -0.21 0.07 0.00 -0.56 0.00 0.00 56.30 55.60 3llr h ASN 129 Cb 0.60 -0.28 -0.07 0.00 -1.06 0.00 0.00 38.32 37.52 3llr h ASN 129 CO 0.03 0.99 -0.15 0.11 -1.06 0.00 0.00 177.43 177.35 3llr h LYS 130 N 1.07 -0.11 -0.56 0.81 1.57 -1.59 0.65 116.57 118.42 3llr h LYS 130 Ca 0.23 0.01 -0.03 0.00 -1.87 0.00 0.00 60.65 58.99 3llr h LYS 130 Cb 0.31 0.02 -0.03 0.00 0.08 0.00 0.00 32.23 32.62 3llr h LYS 130 CO -0.01 -0.07 0.24 -1.35 -0.57 0.00 0.00 179.45 177.69 3llr h PRO 131 N -0.11 0.80 -0.30 3.15 0.11 -1.77 -1.48 132.00 132.41 3llr h PRO 131 Ca 0.16 -0.11 -0.18 0.00 0.11 0.00 0.00 66.00 65.98 3llr h PRO 131 Cb 0.35 -0.15 -0.00 0.00 0.11 0.00 0.00 31.00 31.31 3llr h PRO 131 CO -0.38 0.65 -0.51 0.52 -0.21 0.00 0.00 178.00 178.07 3llr h MET 132 N 0.79 0.85 -0.51 1.05 2.86 -1.19 -1.98 114.93 116.81 3llr h MET 132 Ca 0.19 -0.52 -0.03 0.00 -2.06 0.00 0.00 59.70 57.28 3llr h MET 132 Cb 0.14 0.05 -0.02 0.00 0.06 0.00 0.00 31.60 31.83 3llr h MET 132 CO -0.02 1.15 0.20 0.82 1.06 0.00 0.00 176.91 180.13 3llr h ILE 133 N 0.66 1.21 -0.69 -1.22 2.04 0.36 -1.54 117.51 118.34 3llr h ILE 133 Ca 0.02 -0.67 -0.02 0.00 1.00 0.00 0.00 64.86 65.20 3llr h ILE 133 Cb 1.11 0.70 -0.03 0.00 -0.74 0.00 0.00 36.82 37.86 3llr h ILE 133 CO 0.11 0.25 0.35 -0.33 0.00 0.00 0.00 178.15 178.54 3llr h GLU 134 N 0.68 0.96 -0.19 2.37 5.08 -1.20 0.13 114.58 122.41 3llr h GLU 134 Ca 0.17 -0.11 -0.01 0.00 -1.00 0.00 0.00 59.36 58.41 3llr h GLU 134 Cb 0.20 -0.19 -0.01 0.00 0.50 0.00 0.00 28.75 29.25 3llr h GLU 134 CO -0.01 0.72 0.09 2.35 -1.00 0.00 0.00 179.01 181.16 3llr h TRP 135 N 0.96 0.28 0.25 4.33 7.01 -1.15 -0.19 115.95 127.45 3llr h TRP 135 Ca 0.24 -0.01 -0.01 0.00 2.11 0.00 0.00 58.89 61.21 3llr h TRP 135 Cb 0.06 -0.09 0.00 0.00 -2.10 0.00 0.00 29.16 27.03 3llr h TRP 135 CO 0.01 0.30 -0.13 0.00 -2.79 0.00 0.00 178.44 175.83 3llr h ALA 136 N 0.95 -0.34 -0.10 2.65 0.00 -0.73 0.23 119.26 121.91 3llr h ALA 136 Ca 0.07 -0.07 -0.01 0.00 0.00 0.00 0.00 54.91 54.89 3llr h ALA 136 Cb 0.13 0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.05 3llr h ALA 136 CO -0.01 -0.70 -0.00 -0.07 0.00 0.00 0.00 179.25 178.47 3llr h LEU 137 N -0.35 0.13 0.00 0.00 3.38 -0.72 -1.79 115.31 115.95 3llr h LEU 137 Ca -0.03 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.93 3llr h LEU 137 Cb 0.27 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 40.99 3llr h LEU 137 CO 0.05 0.16 0.00 0.61 0.09 0.00 0.00 178.44 179.35 3llr n GLY 138 N -1.32 -0.90 0.69 0.83 0.00 -0.09 -4.86 105.19 99.54 3llr n GLY 138 Ca -0.01 -0.17 0.00 0.00 0.00 0.00 0.00 46.02 45.84 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 0.78 1.12 3.67 -0.02 0.00 -0.68 -4.40 105.19 105.66 3llr n GLY 139 Ca 0.20 -0.34 -0.27 0.00 0.00 0.00 0.00 46.02 45.62 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 -2.19 -2.51 -2.22 1.61 3.01 0.05 -4.15 117.46 111.07 3llr n PHE 140 Ca 0.00 0.90 -0.38 0.00 1.01 0.00 0.00 57.45 58.98 3llr n PHE 140 Cb 0.09 -4.44 -0.01 0.00 -0.01 0.00 0.00 39.48 35.11 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 -6.38 3.90 0.02 -1.08 -1.52 -1.26 -0.07 119.66 113.27 3llr s GLN 141 Ca 0.59 1.89 0.24 0.00 -1.95 0.00 0.00 55.36 56.13 3llr s GLN 141 Cb -0.28 -2.58 0.37 0.00 -0.22 0.00 0.00 33.01 30.30 3llr s GLN 141 CO 0.73 -0.47 1.32 -0.35 -0.25 0.00 0.00 175.29 176.27 3llr n PRO 142 N -0.15 0.07 0.13 2.91 -0.04 -1.26 -4.84 135.00 131.81 3llr n PRO 142 Ca 0.05 0.01 -0.01 0.00 -0.04 0.00 0.00 63.50 63.51 3llr n PRO 142 Cb 0.46 -1.53 0.23 0.00 -0.04 0.00 0.00 33.50 32.62 3llr n PRO 142 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 3llr h SER 143 N 0.00 0.13 -2.34 3.54 4.64 -1.85 -3.50 113.55 114.18 3llr h SER 143 Ca 0.00 -0.06 0.00 0.00 -0.47 0.00 0.00 61.79 61.26 3llr h SER 143 Cb 0.56 -0.04 0.00 0.00 -0.31 0.00 0.00 62.40 62.61 3llr h SER 143 CO 0.00 0.59 0.00 0.61 -0.87 0.00 0.00 176.83 177.16 3llr n GLY 144 N -0.09 -1.43 0.37 -0.77 0.00 0.89 -4.04 105.19 100.12 3llr n GLY 144 Ca -0.02 -1.21 0.14 0.00 0.00 0.00 0.00 46.02 44.93 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 0.37 -0.43 1.61 0.11 -1.83 -2.52 132.00 129.31 3llr h PRO 145 Ca 0.00 -0.02 0.08 0.00 0.11 0.00 0.00 66.00 66.17 3llr h PRO 145 Cb 0.00 -0.08 -0.02 0.00 0.11 0.00 0.00 31.00 31.00 3llr h PRO 145 CO 0.00 0.25 0.30 -0.22 -0.21 0.00 0.00 178.00 178.11 3llr h LYS 146 N 0.39 0.24 0.00 1.05 1.63 -1.97 -1.67 116.57 116.23 3llr h LYS 146 Ca 0.32 -0.01 0.00 0.00 -0.85 0.00 0.00 60.65 60.10 3llr h LYS 146 Cb 0.71 -0.05 0.00 0.00 -0.60 0.00 0.00 32.23 32.28 3llr h LYS 146 CO -0.09 0.16 0.00 0.41 -3.45 0.00 0.00 179.45 176.48 3llr n GLY 147 N -1.55 -1.12 0.16 5.01 0.00 -0.95 -3.04 105.19 103.71 3llr n GLY 147 Ca 0.06 0.01 0.12 0.00 0.00 0.00 0.00 46.02 46.21 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 -1.81 0.98 -4.75 0.99 4.77 -0.63 -1.91 117.00 114.64 3llr n LEU 148 Ca 0.03 -0.28 -0.34 0.00 -0.03 0.00 0.00 56.01 55.39 3llr n LEU 148 Cb 0.20 -0.13 0.06 0.00 -2.33 0.00 0.00 43.42 41.21 3llr n LEU 148 CO 0.16 0.20 0.78 -1.61 -1.33 0.00 0.00 177.39 175.60 3llr s GLU 149 N -2.75 2.64 0.35 3.23 2.02 -1.17 -4.69 118.70 118.33 3llr s GLU 149 Ca 0.16 1.62 -0.28 0.00 0.02 0.00 0.00 54.97 56.49 3llr s GLU 149 Cb 0.18 -1.91 -0.12 0.00 0.10 0.00 0.00 34.13 32.38 3llr s GLU 149 CO 0.64 -1.42 1.44 -2.30 0.02 0.00 0.00 175.26 173.64 3llr n PRO 150 N -2.29 2.49 0.00 0.39 -0.02 -1.26 -4.94 135.00 129.37 3llr n PRO 150 Ca 0.12 0.87 0.12 0.00 -2.02 0.00 0.00 63.50 62.60 3llr n PRO 150 Cb 0.51 -2.56 0.73 0.00 -0.02 0.00 0.00 33.50 32.15 3llr n PRO 150 CO 0.00 0.00 0.00 -0.35 1.98 0.00 0.00 175.50 177.13