#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 -0.47 -2.14 4.31 0.53 -1.26 -4.91 117.16 113.22 3llr n TYR 10 Ca 0.00 0.00 -0.39 0.00 -1.02 0.00 0.00 57.90 56.49 3llr n TYR 10 Cb 0.00 -3.36 -0.00 0.00 -1.03 0.00 0.00 39.34 34.94 3llr n TYR 10 CO 0.00 0.00 0.00 -1.91 -1.02 0.00 0.00 176.86 173.93 3llr n GLU 11 N -2.62 4.66 -0.05 -0.72 4.07 -1.26 -4.44 120.64 120.28 3llr n GLU 11 Ca -0.20 -3.72 0.03 0.00 -0.06 0.00 0.00 57.16 53.20 3llr n GLU 11 Cb 0.63 -2.55 0.05 0.00 -0.06 0.00 0.00 31.44 29.52 3llr n GLU 11 CO 0.00 0.00 0.00 -0.40 -0.06 0.00 0.00 177.13 176.67 3llr n ASP 12 N 1.12 1.99 -0.00 4.31 3.85 -1.26 -4.99 116.55 121.57 3llr n ASP 12 Ca 0.57 -1.64 -0.00 0.00 -0.71 0.00 0.00 54.79 53.02 3llr n ASP 12 Cb 0.27 -0.06 -0.00 0.00 -1.35 0.00 0.00 41.12 39.98 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 0.16 0.42 0.41 6.12 0.00 -1.26 -4.90 105.19 106.13 3llr n GLY 13 Ca 0.05 -0.01 0.12 0.00 0.00 0.00 0.00 46.02 46.18 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 -2.30 1.16 0.00 1.61 5.12 -1.26 -5.07 116.66 115.92 3llr n ARG 14 Ca -0.00 -0.82 0.00 0.00 -1.93 0.00 0.00 57.85 55.10 3llr n ARG 14 Cb 0.09 -1.48 0.00 0.00 -1.16 0.00 0.00 32.46 29.91 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 1.35 -0.32 3.94 -0.13 0.00 -1.26 -4.99 105.19 103.77 3llr n GLY 15 Ca 0.12 -1.19 -0.38 0.00 0.00 0.00 0.00 46.02 44.56 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 0.65 -1.60 -1.42 1.61 3.01 -1.26 -4.95 117.46 113.50 3llr n PHE 16 Ca 0.00 0.31 -0.29 0.00 1.01 0.00 0.00 57.45 58.48 3llr n PHE 16 Cb 0.00 -3.12 0.15 0.00 -0.01 0.00 0.00 39.48 36.50 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 -3.65 1.57 0.18 1.37 0.00 -1.26 -4.93 107.32 100.60 3llr s GLY 17 Ca 0.41 -0.48 -0.33 0.00 0.00 0.00 0.00 44.72 44.31 3llr s GLY 17 CO 0.93 0.10 1.35 1.39 0.00 0.00 0.00 173.10 176.86 3llr n ILE 18 N -3.90 0.61 -0.05 0.90 5.41 -1.26 -2.52 119.36 118.55 3llr n ILE 18 Ca 0.06 -0.15 0.00 0.00 1.00 0.00 0.00 62.75 63.66 3llr n ILE 18 Cb 0.59 -1.18 0.00 0.00 -0.71 0.00 0.00 39.64 38.34 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 2.39 1.09 3.72 7.39 0.00 0.47 -4.95 105.19 115.31 3llr n GLY 19 Ca 0.15 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.75 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 -0.62 4.47 -0.00 1.61 2.02 -1.05 -4.56 118.70 120.57 3llr s GLU 20 Ca 0.00 1.77 -0.29 0.00 0.02 0.00 0.00 54.97 56.47 3llr s GLU 20 Cb 0.00 -3.32 -0.03 0.00 0.10 0.00 0.00 34.13 30.88 3llr s GLU 20 CO 0.00 -0.16 0.96 -0.51 0.02 0.00 0.00 175.26 175.56 3llr s LEU 21 N 0.58 4.37 0.12 1.80 1.43 -1.26 -1.52 118.68 124.20 3llr s LEU 21 Ca 0.56 1.62 0.00 0.00 -1.03 0.00 0.00 54.13 55.28 3llr s LEU 21 Cb -0.30 -3.53 -0.04 0.00 0.03 0.00 0.00 46.19 42.35 3llr s LEU 21 CO 0.31 -0.24 0.00 0.68 0.23 0.00 0.00 176.35 177.33 3llr s VAL 22 N 0.97 0.37 -0.15 -1.59 -7.23 0.82 -1.77 120.40 111.81 3llr s VAL 22 Ca 0.51 -1.91 -0.07 0.00 -1.81 0.00 0.00 61.98 58.69 3llr s VAL 22 Cb -0.21 -1.88 -0.04 0.00 0.56 0.00 0.00 36.38 34.81 3llr s VAL 22 CO 0.27 -0.66 0.11 0.26 -0.31 0.00 0.00 175.10 174.77 3llr s TRP 23 N -3.85 3.44 -0.01 2.82 0.52 0.12 -0.74 118.94 121.23 3llr s TRP 23 Ca 0.18 0.36 0.05 0.00 0.02 0.00 0.00 56.10 56.71 3llr s TRP 23 Cb 0.07 -2.02 -0.01 0.00 -1.15 0.00 0.00 33.47 30.36 3llr s TRP 23 CO -0.01 0.47 -0.16 0.20 0.02 0.00 0.00 176.95 177.47 3llr s GLY 24 N -0.34 0.80 -0.21 0.98 0.00 -0.04 -1.37 107.32 107.13 3llr s GLY 24 Ca 0.11 -0.70 0.01 0.00 0.00 0.00 0.00 44.72 44.14 3llr s GLY 24 CO 0.01 -0.58 -0.13 1.25 0.00 0.00 0.00 173.10 173.65 3llr s LYS 25 N -0.38 2.36 0.18 2.90 2.36 -0.46 -1.19 119.74 125.50 3llr s LYS 25 Ca 0.06 -0.97 0.07 0.00 -2.55 0.00 0.00 55.97 52.58 3llr s LYS 25 Cb -0.06 -2.57 -0.04 0.00 -1.05 0.00 0.00 37.83 34.10 3llr s LYS 25 CO -0.01 -0.40 0.04 -0.51 1.55 0.00 0.00 175.35 176.03 3llr s LEU 26 N 1.29 3.45 0.12 5.43 1.43 -1.26 -4.85 118.68 124.29 3llr s LEU 26 Ca -0.01 -0.33 -0.31 0.00 -1.03 0.00 0.00 54.13 52.44 3llr s LEU 26 Cb -0.16 -2.08 -0.10 0.00 0.03 0.00 0.00 46.19 43.88 3llr s LEU 26 CO -0.09 0.07 1.68 -0.60 0.23 0.00 0.00 176.35 177.65 3llr s ARG 27 N -3.05 4.18 0.00 1.70 3.52 -1.26 -2.53 118.95 121.51 3llr s ARG 27 Ca 0.29 2.43 0.00 0.00 -0.13 0.00 0.00 55.73 58.32 3llr s ARG 27 Cb -0.09 -3.44 0.00 0.00 -1.56 0.00 0.00 34.95 29.86 3llr s ARG 27 CO 0.20 -0.73 0.00 0.41 -0.81 0.00 0.00 175.30 174.37 3llr n GLY 28 N 4.00 0.74 3.03 8.12 0.00 -1.26 -5.06 105.19 114.76 3llr n GLY 28 Ca 0.16 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 46.07 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 -2.42 0.47 0.81 1.61 0.08 -1.05 -5.16 117.98 112.32 3llr s PHE 29 Ca 0.00 -0.56 -0.10 0.00 0.12 0.00 0.00 56.93 56.38 3llr s PHE 29 Cb 0.00 -0.30 0.08 0.00 -0.57 0.00 0.00 43.02 42.23 3llr s PHE 29 CO 0.00 -0.15 1.10 -1.12 -0.10 0.00 0.00 175.22 174.95 3llr s SER 30 N -1.65 4.12 0.06 1.36 0.01 -1.26 -4.44 113.70 111.89 3llr s SER 30 Ca -0.11 1.88 -0.36 0.00 1.31 0.00 0.00 55.95 58.67 3llr s SER 30 Cb -0.08 -2.51 -0.16 0.00 0.21 0.00 0.00 66.02 63.48 3llr s SER 30 CO -0.01 -2.29 1.47 0.79 0.41 0.00 0.00 173.24 173.61 3llr n TRP 31 N -3.69 1.81 -4.66 2.43 7.02 -1.26 -4.70 117.44 114.39 3llr n TRP 31 Ca 0.09 0.50 -0.23 0.00 -1.02 0.00 0.00 57.50 56.84 3llr n TRP 31 Cb 0.53 -2.42 -0.16 0.00 -2.42 0.00 0.00 31.31 26.85 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 1.10 1.37 0.28 -5.99 -0.11 -0.33 -4.88 118.94 110.38 3llr s TRP 32 Ca 0.85 -0.34 -0.29 0.00 1.22 0.00 0.00 56.10 57.53 3llr s TRP 32 Cb -0.88 -0.92 -0.10 0.00 -1.50 0.00 0.00 33.47 30.06 3llr s TRP 32 CO 0.47 -0.11 1.37 -2.14 -4.62 0.00 0.00 176.95 171.92 3llr s PRO 33 N -0.02 4.32 0.33 5.86 0.02 -1.26 -0.86 135.00 143.38 3llr s PRO 33 Ca -0.01 2.24 -0.13 0.00 0.02 0.00 0.00 61.00 63.12 3llr s PRO 33 Cb -0.09 -3.10 0.03 0.00 0.02 0.00 0.00 34.50 31.35 3llr s PRO 33 CO 0.01 -0.30 0.64 0.20 -0.33 0.00 0.00 177.00 177.22 3llr s GLY 34 N -0.01 0.62 0.02 0.52 0.00 0.08 -1.69 107.32 106.85 3llr s GLY 34 Ca 0.54 -0.90 0.04 0.00 0.00 0.00 0.00 44.72 44.41 3llr s GLY 34 CO 0.47 -0.51 -0.14 1.09 0.00 0.00 0.00 173.10 174.01 3llr s ARG 35 N -3.07 0.97 0.04 2.90 1.70 -0.60 -0.13 118.95 120.77 3llr s ARG 35 Ca 0.20 -0.64 -0.31 0.00 -0.47 0.00 0.00 55.73 54.51 3llr s ARG 35 Cb -0.03 -0.97 -0.06 0.00 -0.57 0.00 0.00 34.95 33.32 3llr s ARG 35 CO 0.13 0.25 1.38 0.42 -1.08 0.00 0.00 175.30 176.39 3llr s ILE 36 N -0.64 3.62 0.28 4.99 -1.09 -0.57 -1.18 121.20 126.59 3llr s ILE 36 Ca 0.03 1.08 0.09 0.00 -2.23 0.00 0.00 60.65 59.62 3llr s ILE 36 Cb -0.07 -3.69 -0.05 0.00 -1.58 0.00 0.00 42.46 37.07 3llr s ILE 36 CO 0.01 0.03 -0.14 0.68 -1.23 0.00 0.00 174.94 174.29 3llr s VAL 37 N 1.86 2.10 0.62 2.92 -7.23 -0.53 -0.40 120.40 119.76 3llr s VAL 37 Ca 0.64 -2.26 -0.15 0.00 -1.81 0.00 0.00 61.98 58.39 3llr s VAL 37 Cb -0.33 -2.35 -0.02 0.00 0.56 0.00 0.00 36.38 34.24 3llr s VAL 37 CO 0.28 -0.38 1.08 -0.55 -0.31 0.00 0.00 175.10 175.22 3llr s SER 38 N -3.48 5.50 0.50 4.85 0.15 -1.26 -4.32 113.70 115.64 3llr s SER 38 Ca 0.29 1.88 0.16 0.00 0.70 0.00 0.00 55.95 58.98 3llr s SER 38 Cb -0.01 -2.54 1.20 0.00 -1.71 0.00 0.00 66.02 62.97 3llr s SER 38 CO 0.13 -1.36 2.10 4.11 1.20 0.00 0.00 173.24 179.41 3llr h TRP 39 N 0.21 0.00 0.00 3.44 5.08 -1.94 -2.44 115.95 120.30 3llr h TRP 39 Ca -0.47 0.00 0.00 0.00 1.08 0.00 0.00 58.89 59.50 3llr h TRP 39 Cb 1.23 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 27.39 3llr h TRP 39 CO 0.57 0.07 0.00 -2.67 -1.28 0.00 0.00 178.44 175.13 3llr n TRP 40 N -4.41 0.00 0.41 0.12 4.27 -1.26 -2.33 117.44 114.24 3llr n TRP 40 Ca -0.03 0.00 0.12 0.00 -3.89 0.00 0.00 57.50 53.70 3llr n TRP 40 Cb 0.15 -0.33 0.21 0.00 -1.36 0.00 0.00 31.31 29.98 3llr n TRP 40 CO 0.00 0.00 0.00 0.52 -2.29 0.00 0.00 177.69 175.92 3llr h MET 41 N 0.00 0.00 0.00 -2.67 2.86 -1.82 -3.36 114.93 109.93 3llr h MET 41 Ca 0.00 0.00 -0.05 0.00 -2.06 0.00 0.00 59.70 57.59 3llr h MET 41 Cb 0.29 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 31.94 3llr h MET 41 CO 0.00 0.00 -1.09 1.79 1.06 0.00 0.00 176.91 178.67 3llr h THR 42 N 0.00 0.17 -1.78 2.22 1.35 -1.59 -3.48 112.91 109.80 3llr h THR 42 Ca 0.00 -1.32 -0.16 0.00 -0.55 0.00 0.00 66.41 64.37 3llr h THR 42 Cb 0.86 1.69 0.01 0.00 -1.73 0.00 0.00 68.15 68.99 3llr h THR 42 CO 0.00 0.09 -0.23 0.61 -0.25 0.00 0.00 175.52 175.74 3llr n GLY 43 N 1.24 0.14 0.00 5.82 0.00 -1.25 -5.02 105.19 106.12 3llr n GLY 43 Ca -0.03 -0.46 0.00 0.00 0.00 0.00 0.00 46.02 45.53 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 -1.97 1.24 -4.64 1.61 5.12 -1.25 -5.14 116.66 111.63 3llr n ARG 44 Ca -0.06 0.00 -0.29 0.00 -1.93 0.00 0.00 57.85 55.57 3llr n ARG 44 Cb 0.56 0.00 -0.10 0.00 -1.16 0.00 0.00 32.46 31.76 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 1.00 3.86 0.38 0.55 1.04 -1.26 -4.84 113.70 114.44 3llr s SER 45 Ca 0.00 -1.43 -0.27 0.00 0.48 0.00 0.00 55.95 54.73 3llr s SER 45 Cb 0.00 -0.20 -0.11 0.00 0.10 0.00 0.00 66.02 65.81 3llr s SER 45 CO 0.00 -0.54 1.41 0.54 0.98 0.00 0.00 173.24 175.64 3llr n ARG 46 N -1.01 2.43 -2.52 4.02 1.74 -1.26 -4.88 116.66 115.16 3llr n ARG 46 Ca -0.08 0.85 -0.37 0.00 -0.77 0.00 0.00 57.85 57.49 3llr n ARG 46 Cb 0.67 -2.56 -0.04 0.00 -1.02 0.00 0.00 32.46 29.51 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 -1.13 3.11 0.91 7.54 0.00 -1.26 -5.04 121.76 125.88 3llr s ALA 47 Ca 0.55 0.73 -0.11 0.00 0.00 0.00 0.00 51.96 53.13 3llr s ALA 47 Cb -0.50 -3.28 0.14 0.00 0.00 0.00 0.00 23.12 19.48 3llr s ALA 47 CO 0.62 -0.23 1.10 0.00 0.00 0.00 0.00 175.76 177.25 3llr s ALA 48 N -1.61 1.42 0.35 0.00 0.00 -1.26 -4.92 121.76 115.74 3llr s ALA 48 Ca 0.57 0.20 -0.28 0.00 0.00 0.00 0.00 51.96 52.44 3llr s ALA 48 Cb -0.23 -3.29 -0.12 0.00 0.00 0.00 0.00 23.12 19.48 3llr s ALA 48 CO 0.29 -2.54 1.37 -1.91 0.00 0.00 0.00 175.76 172.97 3llr n GLU 49 N -4.04 2.33 -1.01 0.00 2.13 -1.26 -2.17 120.64 116.62 3llr n GLU 49 Ca 0.08 0.82 -0.00 0.00 0.66 0.00 0.00 57.16 58.72 3llr n GLU 49 Cb 0.54 -2.46 -0.00 0.00 0.27 0.00 0.00 31.44 29.79 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 0.72 0.45 3.27 8.31 0.00 -1.26 -5.02 105.19 111.65 3llr n GLY 50 Ca 0.04 -0.13 -0.15 0.00 0.00 0.00 0.00 46.02 45.78 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 -1.89 1.11 0.05 2.61 -4.23 -0.92 -1.51 115.64 110.86 3llr s THR 51 Ca 0.00 -2.05 0.03 0.00 -1.18 0.00 0.00 61.69 58.49 3llr s THR 51 Cb 0.00 -1.97 -0.02 0.00 1.34 0.00 0.00 72.50 71.85 3llr s THR 51 CO 0.00 -0.64 -0.09 -0.13 -0.54 0.00 0.00 174.62 173.22 3llr s ARG 52 N -3.78 0.59 -0.20 3.99 1.81 0.48 -4.73 118.95 117.10 3llr s ARG 52 Ca 0.20 -0.79 -0.26 0.00 -1.72 0.00 0.00 55.73 53.16 3llr s ARG 52 Cb 0.03 -0.42 -0.01 0.00 -0.45 0.00 0.00 34.95 34.11 3llr s ARG 52 CO 0.02 0.08 0.87 -1.58 -0.68 0.00 0.00 175.30 174.02 3llr s TRP 53 N -1.33 3.37 -0.06 -0.53 0.52 -1.26 -0.48 118.94 119.16 3llr s TRP 53 Ca -0.08 1.25 0.03 0.00 0.02 0.00 0.00 56.10 57.33 3llr s TRP 53 Cb -0.10 -3.07 -0.02 0.00 -1.15 0.00 0.00 33.47 29.13 3llr s TRP 53 CO 0.01 -0.34 -0.15 0.54 0.02 0.00 0.00 176.95 177.02 3llr s VAL 54 N 2.58 2.93 -0.35 4.03 0.11 -0.40 -1.45 120.40 127.86 3llr s VAL 54 Ca 0.38 -0.76 -0.14 0.00 -2.93 0.00 0.00 61.98 58.54 3llr s VAL 54 Cb -0.16 -2.15 -0.01 0.00 -1.53 0.00 0.00 36.38 32.52 3llr s VAL 54 CO 0.10 0.58 0.29 -0.32 -3.33 0.00 0.00 175.10 172.41 3llr s MET 55 N -0.46 3.48 0.33 1.54 1.75 -0.33 -1.70 119.30 123.91 3llr s MET 55 Ca 0.06 -0.59 -0.28 0.00 -1.25 0.00 0.00 55.69 53.63 3llr s MET 55 Cb -0.12 -3.82 -0.09 0.00 2.84 0.00 0.00 34.83 33.64 3llr s MET 55 CO 0.02 -0.50 1.15 -1.58 -0.65 0.00 0.00 175.02 173.46 3llr s TRP 56 N 1.83 3.32 0.72 4.11 0.52 -0.25 -1.56 118.94 127.63 3llr s TRP 56 Ca 0.08 1.61 -0.11 0.00 0.02 0.00 0.00 56.10 57.69 3llr s TRP 56 Cb -0.17 -3.37 0.02 0.00 -1.15 0.00 0.00 33.47 28.81 3llr s TRP 56 CO 0.11 -0.99 1.08 -0.06 0.02 0.00 0.00 176.95 177.11 3llr s PHE 57 N -1.28 3.16 0.00 -1.98 0.40 -0.68 -1.81 117.98 115.79 3llr s PHE 57 Ca 0.50 1.20 0.00 0.00 -0.60 0.00 0.00 56.93 58.03 3llr s PHE 57 Cb -0.32 -2.99 0.00 0.00 0.51 0.00 0.00 43.02 40.22 3llr s PHE 57 CO 0.41 -1.31 0.00 0.41 0.70 0.00 0.00 175.22 175.43 3llr n GLY 58 N -2.44 1.85 0.00 4.36 0.00 -1.26 -4.46 105.19 103.24 3llr n GLY 58 Ca 0.07 -0.62 0.00 0.00 0.00 0.00 0.00 46.02 45.47 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 3.91 0.39 -0.47 1.61 5.68 -1.26 -4.90 116.55 121.52 3llr n ASP 59 Ca 0.00 -0.69 -0.06 0.00 -0.50 0.00 0.00 54.79 53.54 3llr n ASP 59 Cb 0.00 0.46 -0.03 0.00 -1.14 0.00 0.00 41.12 40.42 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 0.46 0.85 3.76 6.12 0.00 -0.75 -5.02 105.19 110.61 3llr n GLY 60 Ca 0.00 -0.71 -0.33 0.00 0.00 0.00 0.00 46.02 44.97 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 -2.43 2.55 -0.05 1.61 1.02 -1.26 -4.63 119.74 116.55 3llr s LYS 61 Ca 0.00 1.47 0.01 0.00 0.02 0.00 0.00 55.97 57.46 3llr s LYS 61 Cb 0.00 -1.91 -0.03 0.00 -0.52 0.00 0.00 37.83 35.37 3llr s LYS 61 CO 0.00 -1.46 -0.04 -0.06 -0.92 0.00 0.00 175.35 172.87 3llr s PHE 62 N -2.30 3.01 -0.07 3.18 0.40 -1.26 -1.09 117.98 119.86 3llr s PHE 62 Ca 0.68 0.07 -0.10 0.00 -0.60 0.00 0.00 56.93 56.99 3llr s PHE 62 Cb -0.22 -1.71 0.02 0.00 0.51 0.00 0.00 43.02 41.62 3llr s PHE 62 CO 0.44 0.40 0.25 -1.12 0.70 0.00 0.00 175.22 175.88 3llr s SER 63 N -1.06 -0.21 -0.12 1.36 0.01 -0.69 -5.00 113.70 107.99 3llr s SER 63 Ca 0.15 0.33 -0.29 0.00 1.31 0.00 0.00 55.95 57.45 3llr s SER 63 Cb -0.11 0.44 -0.01 0.00 0.21 0.00 0.00 66.02 66.55 3llr s SER 63 CO 0.04 -0.19 1.00 -0.69 0.41 0.00 0.00 173.24 173.80 3llr s VAL 64 N -0.35 4.78 -0.05 3.43 1.01 -1.26 -1.27 120.40 126.69 3llr s VAL 64 Ca -0.05 2.01 0.02 0.00 0.00 0.00 0.00 61.98 63.96 3llr s VAL 64 Cb -0.03 -4.30 0.02 0.00 0.00 0.00 0.00 36.38 32.06 3llr s VAL 64 CO 0.01 -0.01 -0.09 -0.69 0.00 0.00 0.00 175.10 174.32 3llr s VAL 65 N 2.15 0.84 0.51 2.92 1.01 0.37 -4.94 120.40 123.25 3llr s VAL 65 Ca 0.47 -0.31 -0.21 0.00 0.00 0.00 0.00 61.98 61.92 3llr s VAL 65 Cb -0.18 -0.79 -0.06 0.00 0.00 0.00 0.00 36.38 35.35 3llr s VAL 65 CO 0.16 0.29 1.18 0.00 0.00 0.00 0.00 175.10 176.73 3llr h VAL 67 N 1.52 0.60 0.00 0.00 -1.51 -1.62 -0.10 116.25 115.15 3llr h VAL 67 Ca -0.50 -0.10 0.00 0.00 -1.23 0.00 0.00 66.70 64.87 3llr h VAL 67 Cb 1.26 1.06 0.00 0.00 -2.13 0.00 0.00 31.29 31.49 3llr h VAL 67 CO 0.58 0.02 0.00 -0.33 -1.23 0.00 0.00 177.57 176.62 3llr h GLU 68 N 0.00 0.00 -0.40 5.19 3.07 -1.91 -1.91 114.58 118.63 3llr h GLU 68 Ca -0.00 0.00 -0.12 0.00 -0.50 0.00 0.00 59.36 58.74 3llr h GLU 68 Cb 0.06 0.00 -0.07 0.00 -0.84 0.00 0.00 28.75 27.90 3llr h GLU 68 CO 0.00 0.00 0.04 1.63 -1.40 0.00 0.00 179.01 179.29 3llr n LYS 69 N -2.80 2.59 -5.15 2.33 4.76 -0.05 -4.96 118.16 114.87 3llr n LYS 69 Ca -0.00 -3.01 -0.29 0.00 -2.87 0.00 0.00 58.31 52.13 3llr n LYS 69 Cb 0.19 -1.90 -0.16 0.00 -1.84 0.00 0.00 35.03 31.31 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 -3.03 2.05 0.04 -0.35 1.43 -0.72 -1.36 118.68 116.74 3llr s LEU 70 Ca 0.46 -0.42 0.04 0.00 -1.03 0.00 0.00 54.13 53.17 3llr s LEU 70 Cb 0.39 -1.20 -0.02 0.00 0.03 0.00 0.00 46.19 45.39 3llr s LEU 70 CO 0.06 0.28 -0.11 -0.04 0.23 0.00 0.00 176.35 176.78 3llr s MET 71 N -0.56 0.71 0.83 1.70 -1.94 -0.47 -5.00 119.30 114.58 3llr s MET 71 Ca 0.09 -0.75 -0.11 0.00 -1.71 0.00 0.00 55.69 53.21 3llr s MET 71 Cb -0.09 -0.64 0.09 0.00 2.01 0.00 0.00 34.83 36.20 3llr s MET 71 CO -0.01 0.15 1.14 -1.25 -0.01 0.00 0.00 175.02 175.03 3llr s PRO 72 N -1.34 1.69 0.42 2.03 0.04 -1.26 0.16 135.00 136.73 3llr s PRO 72 Ca -0.03 1.46 0.12 0.00 0.04 0.00 0.00 61.00 62.58 3llr s PRO 72 Cb -0.09 -1.81 0.97 0.00 0.04 0.00 0.00 34.50 33.62 3llr s PRO 72 CO 0.01 -2.12 1.99 1.25 0.04 0.00 0.00 177.00 178.17 3llr h LEU 73 N -1.28 0.42 -2.34 -3.56 5.85 -1.64 -1.97 115.31 110.79 3llr h LEU 73 Ca -0.44 0.01 0.02 0.00 0.84 0.00 0.00 57.88 58.31 3llr h LEU 73 Cb 1.26 -0.08 -0.00 0.00 0.37 0.00 0.00 40.66 42.20 3llr h LEU 73 CO 0.47 0.26 0.21 0.77 -0.34 0.00 0.00 178.44 179.80 3llr h SER 74 N 0.47 0.00 -0.01 1.25 4.64 -1.91 -1.04 113.55 116.95 3llr h SER 74 Ca 0.26 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.58 3llr h SER 74 Cb 0.43 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.51 3llr h SER 74 CO -0.08 0.00 0.01 -1.20 -0.87 0.00 0.00 176.83 174.69 3llr n SER 75 N -3.26 3.45 -0.19 4.97 7.64 -0.74 -4.54 113.62 120.95 3llr n SER 75 Ca -0.01 -2.10 -0.00 0.00 1.01 0.00 0.00 58.87 57.77 3llr n SER 75 Cb 0.29 -0.62 0.10 0.00 -1.01 0.00 0.00 64.21 62.97 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 0.20 0.17 0.00 1.43 3.57 -1.41 -2.42 116.94 118.48 3llr h PHE 76 Ca 0.01 0.03 -0.05 0.00 3.53 0.00 0.00 57.97 61.49 3llr h PHE 76 Cb 1.02 0.01 -0.01 0.00 2.79 0.00 0.00 35.95 39.77 3llr h PHE 76 CO 0.06 -0.03 -0.24 0.00 -2.23 0.00 0.00 178.31 175.87 3llr h SER 78 N 0.00 0.12 0.11 0.00 0.02 -1.82 -3.39 113.55 108.58 3llr h SER 78 Ca -0.00 -0.13 -0.36 0.00 -0.84 0.00 0.00 61.79 60.45 3llr h SER 78 Cb 0.43 -0.04 -0.05 0.00 0.14 0.00 0.00 62.40 62.87 3llr h SER 78 CO 0.03 1.10 -2.21 0.00 -1.14 0.00 0.00 176.83 174.61 3llr n ALA 79 N -2.41 1.31 -1.69 3.77 0.00 -0.95 -4.94 120.51 115.60 3llr n ALA 79 Ca -0.03 -0.96 -0.43 0.00 0.00 0.00 0.00 53.44 52.02 3llr n ALA 79 Cb 0.97 -0.39 -0.03 0.00 0.00 0.00 0.00 19.45 20.00 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 2.61 -4.01 0.00 7.35 0.33 -4.68 117.46 115.88 3llr n PHE 80 Ca -0.35 -0.12 -0.33 0.00 -0.76 0.00 0.00 57.45 55.89 3llr n PHE 80 Cb 1.05 -2.72 -0.15 0.00 0.35 0.00 0.00 39.48 38.01 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 2.67 3.31 0.24 -5.13 5.65 -1.26 -4.97 115.29 115.79 3llr s HIS 81 Ca 0.82 -2.25 -0.07 0.00 0.25 0.00 0.00 55.06 53.81 3llr s HIS 81 Cb -0.50 -2.08 0.25 0.00 -1.18 0.00 0.00 32.58 29.07 3llr s HIS 81 CO 0.38 -0.87 1.90 0.37 -0.65 0.00 0.00 174.74 175.87 3llr h GLN 82 N 7.83 1.13 -0.59 2.88 5.75 -1.99 -2.12 115.11 127.99 3llr h GLN 82 Ca -0.18 -0.07 0.01 0.00 -0.15 0.00 0.00 58.65 58.25 3llr h GLN 82 Cb 1.04 -0.25 -0.03 0.00 1.07 0.00 0.00 27.48 29.31 3llr h GLN 82 CO 0.49 0.75 0.39 0.00 -2.65 0.00 0.00 178.83 177.81 3llr h ALA 83 N 1.35 0.75 -0.46 3.38 0.00 -2.00 -1.33 119.26 120.96 3llr h ALA 83 Ca 0.34 -0.04 -0.03 0.00 0.00 0.00 0.00 54.91 55.19 3llr h ALA 83 Cb -0.06 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.47 3llr h ALA 83 CO -0.10 0.19 0.18 1.15 0.00 0.00 0.00 179.25 180.67 3llr h THR 84 N 0.80 1.20 -0.61 0.00 2.02 -1.92 -2.72 112.91 111.68 3llr h THR 84 Ca 0.22 -0.63 0.07 0.00 0.77 0.00 0.00 66.41 66.83 3llr h THR 84 Cb -0.09 0.77 -0.06 0.00 -1.74 0.00 0.00 68.15 67.03 3llr h THR 84 CO -0.05 0.23 0.31 0.22 0.37 0.00 0.00 175.52 176.60 3llr h TYR 85 N 0.60 0.55 -0.70 3.16 3.20 -0.91 -0.55 116.97 122.32 3llr h TYR 85 Ca 0.15 0.03 -0.05 0.00 3.14 0.00 0.00 58.73 62.00 3llr h TYR 85 Cb 0.19 -0.16 -0.03 0.00 1.54 0.00 0.00 36.73 38.27 3llr h TYR 85 CO 0.00 0.24 0.25 -0.91 -1.64 0.00 0.00 178.16 176.10 3llr h ASN 86 N 0.56 0.98 0.15 -2.11 2.35 -1.09 -3.33 115.58 113.08 3llr h ASN 86 Ca 0.29 -0.16 0.00 0.00 -0.55 0.00 0.00 56.30 55.88 3llr h ASN 86 Cb 0.24 -0.25 0.00 0.00 0.05 0.00 0.00 38.32 38.35 3llr h ASN 86 CO -0.21 0.89 -1.67 0.29 -1.65 0.00 0.00 177.43 175.08 3llr n LYS 87 N -4.28 0.53 -4.02 0.81 5.02 -1.02 -4.86 118.16 110.34 3llr n LYS 87 Ca 0.06 -0.12 -0.31 0.00 -2.02 0.00 0.00 58.31 55.92 3llr n LYS 87 Cb 0.20 -1.56 -0.15 0.00 -0.02 0.00 0.00 35.03 33.50 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 -3.40 1.77 0.47 1.97 -0.21 -0.25 -4.99 119.66 115.01 3llr s GLN 88 Ca -0.04 -1.52 0.15 0.00 0.02 0.00 0.00 55.36 53.97 3llr s GLN 88 Cb 0.14 -2.94 1.11 0.00 1.00 0.00 0.00 33.01 32.32 3llr s GLN 88 CO 0.88 -0.75 2.04 -1.35 -2.12 0.00 0.00 175.29 173.99 3llr h PRO 89 N 7.74 0.27 0.00 2.91 0.11 -1.87 -2.07 132.00 139.10 3llr h PRO 89 Ca -0.12 -0.02 -0.10 0.00 0.11 0.00 0.00 66.00 65.87 3llr h PRO 89 Cb 1.03 -0.06 -0.01 0.00 0.11 0.00 0.00 31.00 32.07 3llr h PRO 89 CO 0.48 0.18 -0.47 1.98 -0.21 0.00 0.00 178.00 179.96 3llr h MET 90 N 0.28 0.00 -0.34 1.05 4.05 -1.96 -1.78 114.93 116.23 3llr h MET 90 Ca 0.19 0.00 -0.11 0.00 -0.28 0.00 0.00 59.70 59.49 3llr h MET 90 Cb 0.38 0.00 -0.01 0.00 -0.80 0.00 0.00 31.60 31.17 3llr h MET 90 CO -0.04 0.47 -0.23 -0.92 0.23 0.00 0.00 176.91 176.42 3llr h TYR 91 N 0.00 0.89 -0.89 1.39 3.20 -1.72 0.13 116.97 119.97 3llr h TYR 91 Ca -0.00 -0.24 -0.02 0.00 3.14 0.00 0.00 58.73 61.60 3llr h TYR 91 Cb 0.97 -0.20 -0.04 0.00 1.54 0.00 0.00 36.73 39.01 3llr h TYR 91 CO 0.00 0.99 0.48 0.00 -1.64 0.00 0.00 178.16 177.99 3llr h ARG 92 N 0.53 1.25 -0.40 1.82 3.08 -1.34 -0.30 114.38 119.01 3llr h ARG 92 Ca 0.07 -0.15 -0.02 0.00 0.07 0.00 0.00 59.98 59.95 3llr h ARG 92 Cb 0.79 -0.24 -0.02 0.00 0.08 0.00 0.00 29.97 30.58 3llr h ARG 92 CO 0.06 0.92 0.17 -0.22 -1.07 0.00 0.00 179.97 179.83 3llr h LYS 93 N 1.25 0.59 -0.66 0.04 3.64 -1.19 -1.09 116.57 119.16 3llr h LYS 93 Ca 0.31 -0.10 -0.03 0.00 -1.27 0.00 0.00 60.65 59.56 3llr h LYS 93 Cb 0.04 -0.10 -0.03 0.00 -0.41 0.00 0.00 32.23 31.73 3llr h LYS 93 CO -0.05 0.55 0.29 0.00 -2.27 0.00 0.00 179.45 177.96 3llr h ALA 94 N 1.02 0.85 -0.19 5.00 0.00 -0.60 -0.52 119.26 124.81 3llr h ALA 94 Ca 0.13 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.89 3llr h ALA 94 Cb 0.17 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.69 3llr h ALA 94 CO -0.01 0.44 0.12 0.82 0.00 0.00 0.00 179.25 180.62 3llr h ILE 95 N 0.92 1.06 -0.31 0.00 1.08 -0.99 -1.20 117.51 118.06 3llr h ILE 95 Ca 0.22 -0.13 0.06 0.00 -0.39 0.00 0.00 64.86 64.61 3llr h ILE 95 Cb 0.17 0.81 -0.05 0.00 -3.07 0.00 0.00 36.82 34.68 3llr h ILE 95 CO -0.02 0.06 -0.01 0.22 -0.69 0.00 0.00 178.15 177.71 3llr h TYR 96 N 0.24 -0.03 0.06 1.37 3.20 -0.93 -2.08 116.97 118.81 3llr h TYR 96 Ca 0.07 0.02 -0.00 0.00 3.14 0.00 0.00 58.73 61.96 3llr h TYR 96 Cb -0.01 0.06 0.00 0.00 1.54 0.00 0.00 36.73 38.32 3llr h TYR 96 CO -0.06 -0.06 -0.03 0.93 -1.64 0.00 0.00 178.16 177.30 3llr h GLU 97 N 0.08 -0.07 -0.19 1.82 5.08 -0.93 -1.12 114.58 119.26 3llr h GLU 97 Ca 0.15 0.01 -0.05 0.00 -1.00 0.00 0.00 59.36 58.46 3llr h GLU 97 Cb 0.21 0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.46 3llr h GLU 97 CO -0.26 0.20 -0.12 -0.24 -1.00 0.00 0.00 179.01 177.59 3llr h VAL 98 N -0.35 1.19 0.00 3.13 3.04 -1.17 -1.77 116.25 120.32 3llr h VAL 98 Ca -0.01 -0.82 -0.17 0.00 -1.01 0.00 0.00 66.70 64.69 3llr h VAL 98 Cb 0.31 1.18 -0.03 0.00 -2.01 0.00 0.00 31.29 30.75 3llr h VAL 98 CO 0.01 0.26 -0.93 -0.07 -1.01 0.00 0.00 177.57 175.83 3llr h LEU 99 N 0.28 0.00 -0.38 3.16 3.38 -1.36 -0.64 115.31 119.75 3llr h LEU 99 Ca 0.06 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.99 3llr h LEU 99 Cb 0.39 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.12 3llr h LEU 99 CO 0.02 0.73 0.11 1.56 0.09 0.00 0.00 178.44 180.95 3llr h GLN 100 N 0.00 0.60 -0.24 1.13 1.08 -0.77 -0.38 115.11 116.54 3llr h GLN 100 Ca -0.06 -0.13 -0.05 0.00 -1.45 0.00 0.00 58.65 56.96 3llr h GLN 100 Cb 1.61 -0.08 -0.01 0.00 -0.05 0.00 0.00 27.48 28.95 3llr h GLN 100 CO 0.09 0.61 -0.04 0.28 -0.95 0.00 0.00 178.83 178.82 3llr h VAL 101 N 0.47 1.28 -0.52 -0.54 2.07 -1.34 -2.48 116.25 115.19 3llr h VAL 101 Ca 0.12 -1.00 0.01 0.00 0.82 0.00 0.00 66.70 66.64 3llr h VAL 101 Cb 0.27 1.46 -0.03 0.00 -1.52 0.00 0.00 31.29 31.47 3llr h VAL 101 CO -0.00 0.31 0.34 0.00 0.02 0.00 0.00 177.57 178.24 3llr h ALA 102 N 0.77 0.66 -0.15 1.67 0.00 -1.10 -2.50 119.26 118.62 3llr h ALA 102 Ca 0.06 -0.03 -0.09 0.00 0.00 0.00 0.00 54.91 54.84 3llr h ALA 102 Cb 0.48 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.05 3llr h ALA 102 CO 0.02 0.10 -0.33 0.66 0.00 0.00 0.00 179.25 179.70 3llr h SER 103 N 0.70 0.30 -0.48 0.00 4.64 -1.06 -1.87 113.55 115.77 3llr h SER 103 Ca 0.19 -0.11 -0.03 0.00 -0.47 0.00 0.00 61.79 61.37 3llr h SER 103 Cb -0.08 -0.08 -0.02 0.00 -0.31 0.00 0.00 62.40 61.91 3llr h SER 103 CO -0.04 0.62 0.18 -1.28 -0.87 0.00 0.00 176.83 175.43 3llr h SER 104 N 0.25 0.68 -0.64 4.97 0.87 -1.24 -0.14 113.55 118.31 3llr h SER 104 Ca 0.03 -0.18 -0.09 0.00 -1.23 0.00 0.00 61.79 60.32 3llr h SER 104 Cb 0.71 -0.18 -0.02 0.00 -0.44 0.00 0.00 62.40 62.47 3llr h SER 104 CO 0.05 0.68 0.05 0.03 -0.53 0.00 0.00 176.83 177.11 3llr h ARG 105 N 0.64 1.10 0.00 2.24 3.08 -1.23 -3.11 114.38 117.10 3llr h ARG 105 Ca 0.16 -0.32 0.00 0.00 0.07 0.00 0.00 59.98 59.89 3llr h ARG 105 Cb 0.22 -0.11 0.00 0.00 0.08 0.00 0.00 29.97 30.16 3llr h ARG 105 CO -0.01 1.04 -0.05 0.00 -1.07 0.00 0.00 179.97 179.88 3llr n ALA 106 N -2.48 2.35 -1.71 0.04 0.00 -0.72 -4.84 120.51 113.15 3llr n ALA 106 Ca 0.04 -0.06 -0.09 0.00 0.00 0.00 0.00 53.44 53.33 3llr n ALA 106 Cb 0.32 -1.45 -0.02 0.00 0.00 0.00 0.00 19.45 18.31 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 1.34 0.53 3.61 0.00 0.00 -0.45 -4.86 105.19 105.36 3llr n GLY 107 Ca 0.06 -0.58 -0.42 0.00 0.00 0.00 0.00 46.02 45.08 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 -3.59 3.92 -0.09 1.61 2.47 -0.19 -5.03 119.74 118.84 3llr s LYS 108 Ca 0.00 0.48 -0.05 0.00 -1.56 0.00 0.00 55.97 54.84 3llr s LYS 108 Cb 0.00 -3.74 -0.04 0.00 -1.46 0.00 0.00 37.83 32.59 3llr s LYS 108 CO 0.00 -0.67 0.12 -0.51 0.16 0.00 0.00 175.35 174.45 3llr s LEU 109 N 2.89 4.24 0.04 5.43 1.02 -1.26 -4.57 118.68 126.46 3llr s LEU 109 Ca 0.30 0.38 0.09 0.00 0.02 0.00 0.00 54.13 54.93 3llr s LEU 109 Cb -0.14 -2.13 -0.03 0.00 0.02 0.00 0.00 46.19 43.91 3llr s LEU 109 CO 0.13 0.37 -0.25 -0.36 0.02 0.00 0.00 176.35 176.26 3llr s PHE 110 N -1.06 2.35 0.07 0.29 0.40 -1.26 -5.16 117.98 113.61 3llr s PHE 110 Ca 0.17 -0.40 -0.17 0.00 -0.60 0.00 0.00 56.93 55.93 3llr s PHE 110 Cb -0.12 -1.41 -0.05 0.00 0.51 0.00 0.00 43.02 41.95 3llr s PHE 110 CO 0.07 0.13 1.29 -1.35 0.70 0.00 0.00 175.22 176.05 3llr h PRO 111 N 4.81 -0.13 0.04 0.24 0.11 -2.01 -3.54 132.00 131.52 3llr h PRO 111 Ca -0.46 0.01 -0.38 0.00 0.11 0.00 0.00 66.00 65.28 3llr h PRO 111 Cb 1.14 0.03 -0.05 0.00 0.11 0.00 0.00 31.00 32.23 3llr h PRO 111 CO 0.44 -0.08 -2.30 0.00 -0.21 0.00 0.00 178.00 175.85 3llr n ALA 124 N -2.99 1.26 -0.06 -0.75 0.00 -1.26 -5.16 120.51 111.56 3llr n ALA 124 Ca -0.01 -0.94 -0.12 0.00 0.00 0.00 0.00 53.44 52.36 3llr n ALA 124 Cb 0.16 -0.31 -0.06 0.00 0.00 0.00 0.00 19.45 19.23 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 0.02 1.32 -0.91 0.00 2.07 -1.99 -2.33 116.25 114.44 3llr h VAL 125 Ca -0.52 -1.14 0.03 0.00 0.82 0.00 0.00 66.70 65.90 3llr h VAL 125 Cb 1.97 1.73 -0.05 0.00 -1.52 0.00 0.00 31.29 33.41 3llr h VAL 125 CO -0.02 0.34 0.60 -0.33 0.02 0.00 0.00 177.57 178.17 3llr h GLU 126 N 0.01 1.11 0.53 1.57 5.08 -1.99 -1.40 114.58 119.49 3llr h GLU 126 Ca 0.04 -0.07 -0.03 0.00 -1.00 0.00 0.00 59.36 58.30 3llr h GLU 126 Cb 0.56 -0.25 0.01 0.00 0.50 0.00 0.00 28.75 29.57 3llr h GLU 126 CO 0.02 0.73 -0.26 0.28 -1.00 0.00 0.00 179.01 178.79 3llr h VAL 127 N 1.14 0.23 0.00 3.13 2.07 -2.03 -3.29 116.25 117.50 3llr h VAL 127 Ca 0.36 -0.45 -0.03 0.00 0.82 0.00 0.00 66.70 67.39 3llr h VAL 127 Cb 0.01 0.33 -0.00 0.00 -1.52 0.00 0.00 31.29 30.11 3llr h VAL 127 CO -0.11 0.04 -0.16 1.56 0.02 0.00 0.00 177.57 178.92 3llr h GLN 128 N -1.08 0.00 -0.55 1.57 4.20 -1.37 -2.88 115.11 115.00 3llr h GLN 128 Ca -0.07 0.00 -0.03 0.00 0.06 0.00 0.00 58.65 58.61 3llr h GLN 128 Cb 0.61 0.00 -0.03 0.00 0.30 0.00 0.00 27.48 28.37 3llr h GLN 128 CO 0.12 0.16 0.22 -0.91 -0.67 0.00 0.00 178.83 177.75 3llr h ASN 129 N 0.00 0.71 -0.13 1.46 -0.26 -1.32 -3.32 115.58 112.73 3llr h ASN 129 Ca -0.00 -0.09 0.03 0.00 -0.56 0.00 0.00 56.30 55.68 3llr h ASN 129 Cb 0.36 -0.18 -0.02 0.00 -1.06 0.00 0.00 38.32 37.41 3llr h ASN 129 CO 0.02 0.64 -0.03 0.11 -1.06 0.00 0.00 177.43 177.11 3llr h LYS 130 N 0.78 -0.00 -0.23 0.81 1.57 -1.57 0.46 116.57 118.38 3llr h LYS 130 Ca 0.19 0.00 -0.06 0.00 -1.87 0.00 0.00 60.65 58.90 3llr h LYS 130 Cb 0.15 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.45 3llr h LYS 130 CO -0.02 -0.00 -0.14 -1.35 -0.57 0.00 0.00 179.45 177.37 3llr h PRO 131 N -0.00 0.38 -0.36 3.15 0.11 -1.77 -1.79 132.00 131.72 3llr h PRO 131 Ca 0.06 -0.10 -0.17 0.00 0.11 0.00 0.00 66.00 65.90 3llr h PRO 131 Cb 0.09 -0.04 -0.00 0.00 0.11 0.00 0.00 31.00 31.16 3llr h PRO 131 CO -0.13 0.52 -0.42 0.52 -0.21 0.00 0.00 178.00 178.28 3llr h MET 132 N 0.35 0.92 -0.36 1.05 2.86 -1.41 -1.19 114.93 117.15 3llr h MET 132 Ca 0.07 -0.50 -0.05 0.00 -2.06 0.00 0.00 59.70 57.15 3llr h MET 132 Cb 0.47 0.03 -0.01 0.00 0.06 0.00 0.00 31.60 32.14 3llr h MET 132 CO 0.03 1.15 0.03 0.82 1.06 0.00 0.00 176.91 180.00 3llr h ILE 133 N 0.74 1.25 -0.71 -1.22 2.04 -0.03 -1.53 117.51 118.04 3llr h ILE 133 Ca 0.05 -0.92 0.05 0.00 1.00 0.00 0.00 64.86 65.04 3llr h ILE 133 Cb 1.02 1.14 -0.05 0.00 -0.74 0.00 0.00 36.82 38.19 3llr h ILE 133 CO 0.10 0.31 0.42 -0.33 0.00 0.00 0.00 178.15 178.65 3llr h GLU 134 N 0.45 0.76 -0.04 2.37 5.08 -1.28 0.18 114.58 122.09 3llr h GLU 134 Ca 0.11 -0.05 0.03 0.00 -1.00 0.00 0.00 59.36 58.45 3llr h GLU 134 Cb 0.42 -0.17 -0.04 0.00 0.50 0.00 0.00 28.75 29.46 3llr h GLU 134 CO 0.01 0.50 -0.15 2.35 -1.00 0.00 0.00 179.01 180.72 3llr h TRP 135 N 0.78 -0.39 -0.34 4.33 7.01 -1.06 -0.16 115.95 126.12 3llr h TRP 135 Ca 0.31 0.02 0.03 0.00 2.11 0.00 0.00 58.89 61.35 3llr h TRP 135 Cb 0.14 0.18 -0.03 0.00 -2.10 0.00 0.00 29.16 27.35 3llr h TRP 135 CO -0.06 -0.22 0.15 0.00 -2.79 0.00 0.00 178.44 175.52 3llr h ALA 136 N 0.75 0.40 -0.20 2.65 0.00 -0.65 -0.84 119.26 121.38 3llr h ALA 136 Ca 0.06 0.02 -0.06 0.00 0.00 0.00 0.00 54.91 54.94 3llr h ALA 136 Cb 0.32 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.07 3llr h ALA 136 CO -0.18 -0.24 -0.12 -0.07 0.00 0.00 0.00 179.25 178.65 3llr h LEU 137 N 0.31 0.31 -0.29 0.00 3.38 -0.46 -2.72 115.31 115.84 3llr h LEU 137 Ca 0.15 -0.07 0.00 0.00 0.09 0.00 0.00 57.88 58.05 3llr h LEU 137 Cb 0.08 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 40.75 3llr h LEU 137 CO -0.12 0.46 0.00 0.61 0.09 0.00 0.00 178.44 179.48 3llr n GLY 138 N -0.81 -0.64 0.78 0.83 0.00 -0.09 -4.86 105.19 100.40 3llr n GLY 138 Ca -0.00 -0.14 0.00 0.00 0.00 0.00 0.00 46.02 45.88 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 0.74 0.95 3.79 -0.02 0.00 -1.02 -4.34 105.19 105.30 3llr n GLY 139 Ca 0.08 -0.40 -0.27 0.00 0.00 0.00 0.00 46.02 45.43 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 -2.32 -2.35 -2.31 1.61 3.01 -0.34 -4.12 117.46 110.63 3llr n PHE 140 Ca 0.00 0.92 -0.38 0.00 1.01 0.00 0.00 57.45 59.00 3llr n PHE 140 Cb 0.06 -4.31 -0.02 0.00 -0.01 0.00 0.00 39.48 35.20 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 -6.40 4.04 0.08 -1.08 -1.52 -1.26 -0.01 119.66 113.52 3llr s GLN 141 Ca 0.50 1.80 0.24 0.00 -1.95 0.00 0.00 55.36 55.96 3llr s GLN 141 Cb -0.25 -2.65 0.32 0.00 -0.22 0.00 0.00 33.01 30.22 3llr s GLN 141 CO 0.80 -0.32 1.28 -0.35 -0.25 0.00 0.00 175.29 176.46 3llr n PRO 142 N 0.02 0.23 -0.01 2.91 -0.04 -1.26 -4.85 135.00 132.01 3llr n PRO 142 Ca 0.05 0.05 -0.06 0.00 -0.04 0.00 0.00 63.50 63.49 3llr n PRO 142 Cb 0.47 -1.63 0.12 0.00 -0.04 0.00 0.00 33.50 32.42 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 0.58 -3.60 3.54 4.64 -1.85 -3.50 113.55 113.36 3llr h SER 143 Ca 0.00 -0.24 0.05 0.00 -0.47 0.00 0.00 61.79 61.12 3llr h SER 143 Cb 0.69 -0.16 -0.01 0.00 -0.31 0.00 0.00 62.40 62.61 3llr h SER 143 CO 0.00 0.89 -0.06 0.61 -0.87 0.00 0.00 176.83 177.40 3llr n GLY 144 N -0.10 -2.02 0.37 -0.77 0.00 0.98 -4.12 105.19 99.52 3llr n GLY 144 Ca -0.01 -1.40 0.19 0.00 0.00 0.00 0.00 46.02 44.80 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 -0.30 1.61 0.11 -1.83 -2.17 132.00 129.42 3llr h PRO 145 Ca 0.00 0.00 -0.00 0.00 0.11 0.00 0.00 66.00 66.11 3llr h PRO 145 Cb 0.15 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 31.25 3llr h PRO 145 CO 0.00 0.00 0.18 -0.22 -0.21 0.00 0.00 178.00 177.75 3llr h LYS 146 N 0.00 0.40 0.00 1.05 3.11 -1.96 -2.10 116.57 117.07 3llr h LYS 146 Ca 0.17 -0.03 0.00 0.00 -2.81 0.00 0.00 60.65 57.98 3llr h LYS 146 Cb 0.85 -0.09 0.00 0.00 -1.00 0.00 0.00 32.23 31.99 3llr h LYS 146 CO -0.00 0.28 0.00 0.41 -2.81 0.00 0.00 179.45 177.33 3llr n GLY 147 N -1.44 -1.06 0.15 5.01 0.00 -0.81 -3.02 105.19 104.01 3llr n GLY 147 Ca 0.01 -0.03 0.13 0.00 0.00 0.00 0.00 46.02 46.14 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 -1.64 0.81 -4.78 0.99 4.77 -0.79 -2.06 117.00 114.30 3llr n LEU 148 Ca 0.03 -0.15 -0.35 0.00 -0.03 0.00 0.00 56.01 55.51 3llr n LEU 148 Cb 0.19 -0.17 -0.00 0.00 -2.33 0.00 0.00 43.42 41.10 3llr n LEU 148 CO 0.15 0.16 0.78 -1.61 -1.33 0.00 0.00 177.39 175.54 3llr s GLU 149 N -2.69 3.46 0.38 3.23 2.02 -1.17 -4.69 118.70 119.24 3llr s GLU 149 Ca 0.19 1.60 -0.27 0.00 0.02 0.00 0.00 54.97 56.52 3llr s GLU 149 Cb 0.19 -2.06 -0.11 0.00 0.10 0.00 0.00 34.13 32.24 3llr s GLU 149 CO 0.59 -0.76 1.31 -2.30 0.02 0.00 0.00 175.26 174.12 3llr n PRO 150 N -1.16 2.12 0.00 0.39 -0.02 -1.26 -4.94 135.00 130.13 3llr n PRO 150 Ca 0.11 0.75 0.09 0.00 -2.02 0.00 0.00 63.50 62.43 3llr n PRO 150 Cb 0.51 -2.40 0.53 0.00 -0.02 0.00 0.00 33.50 32.12 3llr n PRO 150 CO 0.00 0.00 0.00 -0.35 1.98 0.00 0.00 175.50 177.13