#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3imr s LEU 12 N 0.00 0.13 0.07 1.53 2.96 -1.26 -0.93 118.68 121.19 3imr s LEU 12 Ca 0.00 0.03 0.05 0.00 -0.22 0.00 0.00 54.13 53.99 3imr s LEU 12 Cb 0.00 -0.10 -0.03 0.00 0.50 0.00 0.00 46.19 46.57 3imr s LEU 12 CO 0.00 -0.26 -0.15 -0.04 -1.32 0.00 0.00 176.35 174.58 3imr s MET 13 N 2.18 0.87 -0.05 1.98 -1.94 -0.20 -4.42 119.30 117.72 3imr s MET 13 Ca 0.04 -0.94 0.03 0.00 -1.71 0.00 0.00 55.69 53.11 3imr s MET 13 Cb -0.12 -0.90 0.00 0.00 2.01 0.00 0.00 34.83 35.81 3imr s MET 13 CO -0.04 0.21 -0.14 0.08 -0.01 0.00 0.00 175.02 175.11 3imr s VAL 14 N -1.19 1.24 -0.05 -6.03 1.01 -0.86 -0.74 120.40 113.77 3imr s VAL 14 Ca -0.01 -0.58 0.03 0.00 0.00 0.00 0.00 61.98 61.43 3imr s VAL 14 Cb -0.10 -1.09 0.00 0.00 0.00 0.00 0.00 36.38 35.19 3imr s VAL 14 CO 0.02 0.37 -0.15 -0.75 0.00 0.00 0.00 175.10 174.59 3imr s LYS 15 N 0.31 1.76 -0.06 2.72 2.20 -0.03 -0.25 119.74 126.39 3imr s LYS 15 Ca -0.08 -0.53 0.02 0.00 -0.36 0.00 0.00 55.97 55.02 3imr s LYS 15 Cb -0.13 -1.49 0.01 0.00 -1.51 0.00 0.00 37.83 34.72 3imr s LYS 15 CO 0.03 0.15 -0.11 0.08 -0.36 0.00 0.00 175.35 175.14 3imr s VAL 16 N 0.30 1.01 0.18 4.02 1.01 0.12 -0.81 120.40 126.22 3imr s VAL 16 Ca -0.09 -0.40 0.11 0.00 0.00 0.00 0.00 61.98 61.60 3imr s VAL 16 Cb -0.13 -0.94 -0.04 0.00 0.00 0.00 0.00 36.38 35.27 3imr s VAL 16 CO 0.03 0.33 -0.21 -0.76 0.00 0.00 0.00 175.10 174.48 3imr s LEU 17 N 0.72 2.54 -0.27 3.92 1.43 0.08 -1.04 118.68 126.06 3imr s LEU 17 Ca -0.14 -0.79 -0.05 0.00 -1.03 0.00 0.00 54.13 52.13 3imr s LEU 17 Cb -0.15 -1.29 0.01 0.00 0.03 0.00 0.00 46.19 44.79 3imr s LEU 17 CO 0.03 0.13 0.02 -0.62 0.23 0.00 0.00 176.35 176.14 3imr s ASP 18 N -2.61 4.79 0.15 2.29 -1.08 0.52 -1.07 116.67 119.65 3imr s ASP 18 Ca 0.21 -0.71 0.26 0.00 -0.52 0.00 0.00 52.55 51.78 3imr s ASP 18 Cb -0.08 -1.80 0.93 0.00 -1.46 0.00 0.00 42.92 40.51 3imr s ASP 18 CO 0.10 -0.15 1.78 0.00 0.52 0.00 0.00 175.17 177.43 3imr n ALA 19 N 4.80 2.14 0.00 3.66 0.00 -0.10 -1.39 120.51 129.62 3imr n ALA 19 Ca -0.16 -0.03 -0.20 0.00 0.00 0.00 0.00 53.44 53.05 3imr n ALA 19 Cb 0.48 -1.44 -0.14 0.00 0.00 0.00 0.00 19.45 18.36 3imr n ALA 19 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 3imr h VAL 20 N 0.00 1.22 0.00 0.00 2.07 -1.95 -3.39 116.25 114.20 3imr h VAL 20 Ca 0.00 -2.41 0.00 0.00 0.82 0.00 0.00 66.70 65.11 3imr h VAL 20 Cb 0.58 2.86 0.00 0.00 -1.52 0.00 0.00 31.29 33.21 3imr h VAL 20 CO 0.00 0.66 -1.19 0.54 0.02 0.00 0.00 177.57 177.61 3imr n ARG 21 N -4.08 0.40 -2.95 1.57 1.74 -1.24 -5.01 116.66 107.09 3imr n ARG 21 Ca -0.21 -0.01 -0.11 0.00 -0.77 0.00 0.00 57.85 56.74 3imr n ARG 21 Cb 0.82 -1.62 0.06 0.00 -1.02 0.00 0.00 32.46 30.70 3imr n ARG 21 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3imr n GLY 22 N 1.32 -0.07 3.31 -0.13 0.00 -0.49 -5.03 105.19 104.10 3imr n GLY 22 Ca 0.01 -0.10 -0.09 0.00 0.00 0.00 0.00 46.02 45.83 3imr n GLY 22 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3imr s SER 23 N -3.82 0.04 0.63 1.61 1.04 -1.10 -5.01 113.70 107.09 3imr s SER 23 Ca 0.03 -0.78 -0.19 0.00 0.48 0.00 0.00 55.95 55.50 3imr s SER 23 Cb -0.02 0.42 -0.02 0.00 0.10 0.00 0.00 66.02 66.50 3imr s SER 23 CO 0.47 -0.85 1.30 -2.84 0.98 0.00 0.00 173.24 172.30 3imr s PRO 24 N -3.93 2.68 -0.47 4.02 0.02 -1.26 -0.35 135.00 135.71 3imr s PRO 24 Ca 0.13 2.07 -0.21 0.00 0.02 0.00 0.00 61.00 63.01 3imr s PRO 24 Cb 0.04 -1.91 0.03 0.00 0.02 0.00 0.00 34.50 32.67 3imr s PRO 24 CO -0.03 -1.50 0.70 0.00 -0.33 0.00 0.00 177.00 175.84 3imr s ALA 25 N -1.40 3.32 0.01 -1.55 0.00 -0.20 -4.57 121.76 117.37 3imr s ALA 25 Ca 0.81 -1.29 -0.10 0.00 0.00 0.00 0.00 51.96 51.38 3imr s ALA 25 Cb -0.37 -3.40 -0.05 0.00 0.00 0.00 0.00 23.12 19.30 3imr s ALA 25 CO 0.40 -1.93 0.33 0.42 0.00 0.00 0.00 175.76 174.98 3imr s ILE 26 N 3.00 5.19 -1.47 0.00 1.01 -1.26 -4.35 121.20 123.33 3imr s ILE 26 Ca 0.23 0.44 -0.06 0.00 0.00 0.00 0.00 60.65 61.26 3imr s ILE 26 Cb -0.15 -3.61 0.01 0.00 0.01 0.00 0.00 42.46 38.72 3imr s ILE 26 CO 0.18 0.43 0.81 -3.20 0.00 0.00 0.00 174.94 173.16 3imr n ASN 27 N 1.36 -6.18 -4.67 3.58 5.15 -0.46 -4.95 115.26 109.09 3imr n ASN 27 Ca -0.12 -0.37 -0.41 0.00 -0.60 0.00 0.00 54.58 53.08 3imr n ASN 27 Cb 0.53 -4.93 -0.05 0.00 -0.53 0.00 0.00 39.78 34.80 3imr n ASN 27 CO 0.00 0.00 0.00 -0.69 1.40 0.00 0.00 177.26 177.97 3imr s VAL 28 N -3.23 4.93 0.28 3.44 1.01 -1.26 -4.77 120.40 120.81 3imr s VAL 28 Ca 0.40 1.48 -0.29 0.00 0.00 0.00 0.00 61.98 63.57 3imr s VAL 28 Cb -0.18 -4.07 -0.09 0.00 0.00 0.00 0.00 36.38 32.04 3imr s VAL 28 CO 0.49 0.06 1.07 0.00 0.00 0.00 0.00 175.10 176.73 3imr s ALA 29 N 2.01 3.38 -0.04 5.51 0.00 -1.26 -1.32 121.76 130.03 3imr s ALA 29 Ca 0.35 0.85 0.01 0.00 0.00 0.00 0.00 51.96 53.17 3imr s ALA 29 Cb -0.16 -3.31 0.02 0.00 0.00 0.00 0.00 23.12 19.67 3imr s ALA 29 CO 0.12 -0.11 -0.05 0.08 0.00 0.00 0.00 175.76 175.79 3imr s VAL 30 N -1.20 0.60 -0.05 0.00 1.01 -0.12 -0.63 120.40 120.01 3imr s VAL 30 Ca 0.45 -0.17 0.04 0.00 0.00 0.00 0.00 61.98 62.30 3imr s VAL 30 Cb -0.31 -0.61 -0.00 0.00 0.00 0.00 0.00 36.38 35.47 3imr s VAL 30 CO 0.39 0.23 -0.19 -1.00 0.00 0.00 0.00 175.10 174.53 3imr s HIS 31 N 0.82 1.94 -0.06 5.22 3.76 -0.27 -1.25 115.29 125.46 3imr s HIS 31 Ca -0.12 -0.60 0.04 0.00 -0.15 0.00 0.00 55.06 54.23 3imr s HIS 31 Cb -0.14 -1.30 -0.02 0.00 1.11 0.00 0.00 32.58 32.22 3imr s HIS 31 CO 0.01 -0.21 -0.17 0.08 -0.85 0.00 0.00 174.74 173.60 3imr s VAL 32 N 0.09 2.85 0.12 -0.90 1.01 0.89 -0.08 120.40 124.38 3imr s VAL 32 Ca -0.06 -0.79 0.06 0.00 0.00 0.00 0.00 61.98 61.18 3imr s VAL 32 Cb -0.13 -2.11 -0.04 0.00 0.00 0.00 0.00 36.38 34.11 3imr s VAL 32 CO 0.03 0.58 -0.14 -0.36 0.00 0.00 0.00 175.10 175.21 3imr s PHE 33 N -0.54 1.43 -0.06 5.22 0.40 0.21 -0.43 117.98 124.21 3imr s PHE 33 Ca 0.07 -0.55 0.03 0.00 -0.60 0.00 0.00 56.93 55.89 3imr s PHE 33 Cb -0.11 -0.75 0.00 0.00 0.51 0.00 0.00 43.02 42.67 3imr s PHE 33 CO 0.01 0.16 -0.17 0.50 0.70 0.00 0.00 175.22 176.42 3imr s ARG 34 N -2.66 2.00 0.07 0.44 3.52 0.50 -0.85 118.95 121.98 3imr s ARG 34 Ca 0.09 -0.59 -0.31 0.00 -0.13 0.00 0.00 55.73 54.80 3imr s ARG 34 Cb -0.05 -1.64 -0.08 0.00 -1.56 0.00 0.00 34.95 31.62 3imr s ARG 34 CO 0.03 0.14 1.48 0.21 -0.81 0.00 0.00 175.30 176.36 3imr s LYS 35 N 0.35 4.27 0.68 5.12 2.20 0.21 -1.02 119.74 131.55 3imr s LYS 35 Ca -0.11 2.14 -0.01 0.00 -0.36 0.00 0.00 55.97 57.63 3imr s LYS 35 Cb -0.15 -3.42 0.10 0.00 -1.51 0.00 0.00 37.83 32.85 3imr s LYS 35 CO 0.04 -0.57 0.95 0.00 -0.36 0.00 0.00 175.35 175.41 3imr s ALA 36 N 1.89 3.66 0.30 3.13 0.00 0.80 -4.71 121.76 126.83 3imr s ALA 36 Ca 0.67 -1.54 0.01 0.00 0.00 0.00 0.00 51.96 51.10 3imr s ALA 36 Cb -0.37 -2.10 0.54 0.00 0.00 0.00 0.00 23.12 21.19 3imr s ALA 36 CO 0.30 -1.29 1.91 0.00 0.00 0.00 0.00 175.76 176.68 3imr h ALA 37 N -0.41 1.52 -0.04 0.00 0.00 -1.94 0.29 119.26 118.67 3imr h ALA 37 Ca -0.39 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.50 3imr h ALA 37 Cb 1.28 -0.27 0.00 0.00 0.00 0.00 0.00 17.79 18.80 3imr h ALA 37 CO 0.45 0.35 0.00 -0.40 0.00 0.00 0.00 179.25 179.65 3imr n ASP 38 N -4.49 0.60 -0.13 0.00 5.68 -1.26 -4.90 116.55 112.05 3imr n ASP 38 Ca 0.13 -2.02 -0.02 0.00 -0.50 0.00 0.00 54.79 52.39 3imr n ASP 38 Cb 0.20 -0.19 -0.01 0.00 -1.14 0.00 0.00 41.12 39.98 3imr n ASP 38 CO 0.00 0.00 0.00 0.47 -1.33 0.00 0.00 177.20 176.34 3imr n ASP 39 N -0.23 -4.50 -4.94 -1.12 9.92 0.09 -5.02 116.55 110.75 3imr n ASP 39 Ca 0.02 0.04 -0.24 0.00 -0.53 0.00 0.00 54.79 54.08 3imr n ASP 39 Cb 0.13 -2.15 -0.01 0.00 -0.64 0.00 0.00 41.12 38.44 3imr n ASP 39 CO 0.00 0.00 0.00 0.42 0.13 0.00 0.00 177.20 177.75 3imr s THR 40 N -1.64 5.11 -0.32 -3.53 -4.23 -1.26 -4.79 115.64 104.98 3imr s THR 40 Ca 0.00 -0.43 -0.22 0.00 -1.18 0.00 0.00 61.69 59.86 3imr s THR 40 Cb 0.00 -3.84 -0.00 0.00 1.34 0.00 0.00 72.50 70.00 3imr s THR 40 CO 0.00 -0.51 0.73 0.26 -0.54 0.00 0.00 174.62 174.56 3imr s TRP 41 N -2.26 3.18 -0.07 3.99 0.52 -1.26 -0.14 118.94 122.89 3imr s TRP 41 Ca 0.40 0.67 -0.13 0.00 0.02 0.00 0.00 56.10 57.06 3imr s TRP 41 Cb -0.10 -3.19 -0.05 0.00 -1.15 0.00 0.00 33.47 28.99 3imr s TRP 41 CO 0.35 -0.58 0.31 -1.21 0.02 0.00 0.00 176.95 175.84 3imr s GLU 42 N 2.87 3.89 0.32 4.98 2.02 -0.18 -4.88 118.70 127.72 3imr s GLU 42 Ca 0.30 0.20 -0.29 0.00 0.02 0.00 0.00 54.97 55.19 3imr s GLU 42 Cb -0.14 -3.27 -0.12 0.00 0.10 0.00 0.00 34.13 30.70 3imr s GLU 42 CO 0.13 0.59 1.48 -2.30 0.02 0.00 0.00 175.26 175.18 3imr n PRO 43 N 2.35 2.50 0.00 0.39 -0.02 -1.26 -0.37 135.00 138.58 3imr n PRO 43 Ca -0.15 0.88 0.00 0.00 -2.02 0.00 0.00 63.50 62.21 3imr n PRO 43 Cb 0.53 -2.59 0.00 0.00 -0.02 0.00 0.00 33.50 31.42 3imr n PRO 43 CO 0.00 0.00 0.00 0.34 1.98 0.00 0.00 175.50 177.82 3imr n PHE 44 N 1.18 0.00 -3.47 6.00 7.35 0.43 -4.75 117.46 124.19 3imr n PHE 44 Ca 0.06 0.00 -0.10 0.00 -0.76 0.00 0.00 57.45 56.65 3imr n PHE 44 Cb 0.37 0.03 -0.02 0.00 0.35 0.00 0.00 39.48 40.20 3imr n PHE 44 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 3imr s ALA 45 N -1.97 -1.74 0.18 3.13 0.00 -0.89 -5.00 121.76 115.46 3imr s ALA 45 Ca 0.00 0.83 -0.16 0.00 0.00 0.00 0.00 51.96 52.63 3imr s ALA 45 Cb 0.00 0.57 0.03 0.00 0.00 0.00 0.00 23.12 23.71 3imr s ALA 45 CO 0.00 -0.71 0.48 -1.54 0.00 0.00 0.00 175.76 173.99 3imr s SER 46 N -2.54 -0.23 0.00 0.00 1.04 -1.26 -0.08 113.70 110.63 3imr s SER 46 Ca 0.03 -0.50 0.00 0.00 0.48 0.00 0.00 55.95 55.96 3imr s SER 46 Cb -0.01 0.55 0.00 0.00 0.10 0.00 0.00 66.02 66.66 3imr s SER 46 CO -0.10 -1.01 0.00 0.61 0.98 0.00 0.00 173.24 173.72 3imr n GLY 47 N -0.31 0.63 3.15 7.32 0.00 -0.38 -4.95 105.19 110.65 3imr n GLY 47 Ca -0.11 -0.80 -0.22 0.00 0.00 0.00 0.00 46.02 44.90 3imr n GLY 47 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3imr s LYS 48 N -1.67 1.09 0.49 1.61 1.02 -1.26 -0.95 119.74 120.07 3imr s LYS 48 Ca 0.00 -0.69 -0.22 0.00 0.02 0.00 0.00 55.97 55.08 3imr s LYS 48 Cb 0.00 -1.09 -0.07 0.00 -0.52 0.00 0.00 37.83 36.15 3imr s LYS 48 CO 0.00 0.28 1.15 0.95 -0.92 0.00 0.00 175.35 176.81 3imr s THR 49 N -0.65 3.14 0.66 2.17 -4.23 -0.44 -4.73 115.64 111.57 3imr s THR 49 Ca 0.04 0.80 -0.11 0.00 -1.18 0.00 0.00 61.69 61.24 3imr s THR 49 Cb -0.07 -3.38 0.15 0.00 1.34 0.00 0.00 72.50 70.54 3imr s THR 49 CO 0.01 -0.06 0.87 -1.54 -0.54 0.00 0.00 174.62 173.35 3imr n SER 50 N -0.77 -0.06 0.32 3.99 3.41 0.02 -1.35 113.62 119.18 3imr n SER 50 Ca 0.09 -1.29 0.20 0.00 -0.26 0.00 0.00 58.87 57.61 3imr n SER 50 Cb 0.49 -0.67 1.09 0.00 -0.26 0.00 0.00 64.21 64.86 3imr n SER 50 CO 0.00 0.00 0.00 -0.33 -0.16 0.00 0.00 175.04 174.55 3imr h GLU 51 N 0.00 0.00 -0.10 4.33 4.39 -1.94 -0.31 114.58 120.95 3imr h GLU 51 Ca -0.28 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.42 3imr h GLU 51 Cb 0.79 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.44 3imr h GLU 51 CO 0.20 0.00 0.00 -1.13 -1.16 0.00 0.00 179.01 176.92 3imr n SER 52 N -3.32 1.82 0.00 1.42 3.41 -1.26 -4.79 113.62 110.90 3imr n SER 52 Ca -0.03 -1.66 0.00 0.00 -0.26 0.00 0.00 58.87 56.92 3imr n SER 52 Cb 0.11 -0.06 0.00 0.00 -0.26 0.00 0.00 64.21 64.00 3imr n SER 52 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3imr n GLY 53 N 1.19 0.49 3.77 5.00 0.00 -0.13 -4.79 105.19 110.74 3imr n GLY 53 Ca 0.17 -0.13 -0.32 0.00 0.00 0.00 0.00 46.02 45.74 3imr n GLY 53 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3imr s GLU 54 N -0.24 3.00 -0.22 1.61 2.02 -1.26 -0.70 118.70 122.90 3imr s GLU 54 Ca 0.00 -0.55 -0.01 0.00 0.02 0.00 0.00 54.97 54.43 3imr s GLU 54 Cb 0.00 -2.81 0.06 0.00 0.10 0.00 0.00 34.13 31.48 3imr s GLU 54 CO 0.00 0.63 -0.01 -1.17 0.02 0.00 0.00 175.26 174.72 3imr s LEU 55 N -1.88 1.95 0.35 1.80 2.96 0.66 -0.80 118.68 123.72 3imr s LEU 55 Ca 0.24 -1.01 0.08 0.00 -0.22 0.00 0.00 54.13 53.22 3imr s LEU 55 Cb -0.12 -0.92 -0.04 0.00 0.50 0.00 0.00 46.19 45.61 3imr s LEU 55 CO 0.16 -0.27 0.19 -1.00 -1.32 0.00 0.00 176.35 174.11 3imr s HIS 56 N 1.60 2.72 -0.04 5.38 3.76 -1.26 -2.03 115.29 125.43 3imr s HIS 56 Ca -0.04 -0.40 0.00 0.00 -0.15 0.00 0.00 55.06 54.47 3imr s HIS 56 Cb -0.18 -1.74 0.00 0.00 1.11 0.00 0.00 32.58 31.77 3imr s HIS 56 CO -0.07 0.26 0.00 0.41 -0.85 0.00 0.00 174.74 174.49 3imr n GLY 57 N -1.22 0.43 0.35 -2.22 0.00 -1.26 -4.92 105.19 96.34 3imr n GLY 57 Ca -0.02 -0.83 -0.05 0.00 0.00 0.00 0.00 46.02 45.13 3imr n GLY 57 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 3imr h LEU 58 N 0.00 1.08 0.00 0.99 3.38 -1.87 -3.47 115.31 115.42 3imr h LEU 58 Ca -0.01 -0.14 -0.14 0.00 0.09 0.00 0.00 57.88 57.69 3imr h LEU 58 Cb 0.03 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 40.47 3imr h LEU 58 CO 0.01 0.92 0.08 1.07 0.09 0.00 0.00 178.44 180.61 3imr n THR 59 N -4.30 0.00 -4.42 0.22 5.66 -1.26 -4.78 114.28 105.40 3imr n THR 59 Ca 0.08 -1.29 -0.21 0.00 -3.05 0.00 0.00 64.05 59.58 3imr n THR 59 Cb 0.15 0.99 -0.10 0.00 -1.55 0.00 0.00 70.33 69.82 3imr n THR 59 CO 0.00 0.00 0.00 0.42 -3.05 0.00 0.00 175.07 172.44 3imr s THR 60 N -2.45 1.72 0.28 1.09 -4.23 -1.26 -4.60 115.64 106.19 3imr s THR 60 Ca 0.21 -2.16 -0.03 0.00 -1.18 0.00 0.00 61.69 58.53 3imr s THR 60 Cb -0.03 -2.38 0.27 0.00 1.34 0.00 0.00 72.50 71.70 3imr s THR 60 CO 0.15 -0.35 1.93 -0.33 -0.54 0.00 0.00 174.62 175.48 3imr h GLU 61 N 2.32 1.17 -0.33 3.99 5.08 -2.00 -1.70 114.58 123.10 3imr h GLU 61 Ca -0.40 -0.07 0.00 0.00 -1.00 0.00 0.00 59.36 57.89 3imr h GLU 61 Cb 1.23 -0.26 -0.02 0.00 0.50 0.00 0.00 28.75 30.20 3imr h GLU 61 CO 0.66 0.77 0.21 0.93 -1.00 0.00 0.00 179.01 180.58 3imr h GLU 62 N 1.20 0.44 0.00 2.33 5.08 -2.04 -3.09 114.58 118.50 3imr h GLU 62 Ca 0.37 -0.03 -0.10 0.00 -1.00 0.00 0.00 59.36 58.60 3imr h GLU 62 Cb -0.02 -0.10 -0.01 0.00 0.50 0.00 0.00 28.75 29.12 3imr h GLU 62 CO -0.11 0.32 -0.46 0.93 -1.00 0.00 0.00 179.01 178.69 3imr h GLU 63 N 0.43 0.00 -4.11 2.33 5.08 -1.90 -3.39 114.58 113.01 3imr h GLU 63 Ca 0.12 0.00 -0.74 0.00 -1.00 0.00 0.00 59.36 57.73 3imr h GLU 63 Cb -0.01 0.00 -0.16 0.00 0.50 0.00 0.00 28.75 29.08 3imr h GLU 63 CO -0.02 0.46 1.80 0.34 -1.00 0.00 0.00 179.01 180.59 3imr n PHE 64 N -3.29 3.85 -2.00 4.33 7.35 -0.67 -4.96 117.46 122.08 3imr n PHE 64 Ca 0.01 -3.03 -0.28 0.00 -0.76 0.00 0.00 57.45 53.39 3imr n PHE 64 Cb 0.67 -2.09 0.12 0.00 0.35 0.00 0.00 39.48 38.53 3imr n PHE 64 CO 0.00 0.00 0.00 0.14 -0.76 0.00 0.00 176.76 176.14 3imr s VAL 65 N 1.10 2.05 0.46 -2.13 -7.23 -1.26 -4.95 120.40 108.44 3imr s VAL 65 Ca 0.42 -0.08 -0.24 0.00 -1.81 0.00 0.00 61.98 60.27 3imr s VAL 65 Cb 0.05 -2.97 -0.09 0.00 0.56 0.00 0.00 36.38 33.92 3imr s VAL 65 CO 0.00 0.00 1.11 1.21 -0.31 0.00 0.00 175.10 177.11 3imr n GLU 66 N -3.39 1.49 -3.66 4.82 0.00 -1.26 -4.80 120.64 113.84 3imr n GLU 66 Ca 0.11 0.54 0.00 0.00 0.00 0.00 0.00 57.16 57.81 3imr n GLU 66 Cb 0.60 -2.21 0.00 0.00 0.00 0.00 0.00 31.44 29.84 3imr n GLU 66 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 3imr n GLY 67 N 1.05 -2.02 3.53 8.31 0.00 -1.04 -5.00 105.19 110.03 3imr n GLY 67 Ca 0.09 -1.18 -0.36 0.00 0.00 0.00 0.00 46.02 44.58 3imr n GLY 67 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3imr s ILE 68 N -2.31 4.54 0.11 -0.61 1.01 -1.26 -0.61 121.20 122.06 3imr s ILE 68 Ca 0.00 -0.11 0.10 0.00 0.00 0.00 0.00 60.65 60.64 3imr s ILE 68 Cb 0.00 -3.08 -0.04 0.00 0.01 0.00 0.00 42.46 39.35 3imr s ILE 68 CO 0.00 0.39 -0.22 -0.31 0.00 0.00 0.00 174.94 174.80 3imr s TYR 69 N 1.05 2.44 -0.12 3.97 1.51 0.21 -0.62 117.35 125.79 3imr s TYR 69 Ca 0.04 -0.31 0.01 0.00 -1.01 0.00 0.00 57.07 55.80 3imr s TYR 69 Cb -0.14 -1.32 0.02 0.00 -0.11 0.00 0.00 41.96 40.40 3imr s TYR 69 CO 0.03 0.34 -0.16 0.21 -1.11 0.00 0.00 175.55 174.87 3imr s LYS 70 N -2.00 2.33 -0.33 -0.62 2.20 -0.03 -1.43 119.74 119.85 3imr s LYS 70 Ca 0.16 -0.59 -0.09 0.00 -0.36 0.00 0.00 55.97 55.09 3imr s LYS 70 Cb -0.10 -2.01 0.01 0.00 -1.51 0.00 0.00 37.83 34.22 3imr s LYS 70 CO 0.08 -0.11 0.15 0.08 -0.36 0.00 0.00 175.35 175.18 3imr s VAL 71 N 1.12 4.36 -0.22 4.02 1.01 0.30 -0.62 120.40 130.37 3imr s VAL 71 Ca -0.03 -0.70 -0.07 0.00 0.00 0.00 0.00 61.98 61.18 3imr s VAL 71 Cb -0.14 -3.32 -0.03 0.00 0.00 0.00 0.00 36.38 32.88 3imr s VAL 71 CO -0.04 -0.05 0.06 -0.70 0.00 0.00 0.00 175.10 174.36 3imr s GLU 72 N 1.55 3.73 -0.22 2.72 2.12 0.89 -0.64 118.70 128.85 3imr s GLU 72 Ca 0.03 -0.45 -0.05 0.00 0.36 0.00 0.00 54.97 54.85 3imr s GLU 72 Cb -0.18 -3.26 -0.02 0.00 0.26 0.00 0.00 34.13 30.93 3imr s GLU 72 CO 0.05 -0.04 0.01 0.42 -0.54 0.00 0.00 175.26 175.17 3imr s ILE 73 N 1.20 3.95 -1.34 -3.70 1.01 0.56 -1.11 121.20 121.76 3imr s ILE 73 Ca 0.04 -0.31 -0.13 0.00 0.00 0.00 0.00 60.65 60.25 3imr s ILE 73 Cb -0.14 -2.80 0.10 0.00 0.01 0.00 0.00 42.46 39.62 3imr s ILE 73 CO 0.03 0.40 1.91 0.47 0.00 0.00 0.00 174.94 177.75 3imr n ASP 74 N 4.52 4.64 0.02 3.58 8.00 0.20 -1.45 116.55 136.07 3imr n ASP 74 Ca -0.17 -2.95 -0.05 0.00 0.71 0.00 0.00 54.79 52.33 3imr n ASP 74 Cb 0.51 -1.61 0.16 0.00 -0.02 0.00 0.00 41.12 40.16 3imr n ASP 74 CO 0.00 0.00 0.00 0.71 -0.39 0.00 0.00 177.20 177.52 3imr h THR 75 N 4.35 1.29 -0.50 -3.53 1.35 -1.86 -2.99 112.91 111.03 3imr h THR 75 Ca 0.46 -1.47 -0.03 0.00 -0.55 0.00 0.00 66.41 64.83 3imr h THR 75 Cb 0.72 1.52 -0.02 0.00 -1.73 0.00 0.00 68.15 68.63 3imr h THR 75 CO 1.63 0.46 0.21 0.50 -0.25 0.00 0.00 175.52 178.07 3imr h LYS 76 N 0.40 0.74 -0.81 4.72 3.64 -1.71 -1.31 116.57 122.22 3imr h LYS 76 Ca 0.04 -0.13 -0.04 0.00 -1.27 0.00 0.00 60.65 59.25 3imr h LYS 76 Cb 0.81 -0.12 -0.04 0.00 -0.41 0.00 0.00 32.23 32.47 3imr h LYS 76 CO 0.07 0.64 0.34 0.77 -2.27 0.00 0.00 179.45 179.00 3imr h SER 77 N 0.66 1.11 0.17 4.20 0.02 -1.83 0.19 113.55 118.07 3imr h SER 77 Ca 0.17 -0.17 0.01 0.00 -0.84 0.00 0.00 61.79 60.96 3imr h SER 77 Cb 0.17 -0.29 -0.03 0.00 0.14 0.00 0.00 62.40 62.40 3imr h SER 77 CO -0.02 0.97 -0.24 0.22 -1.14 0.00 0.00 176.83 176.63 3imr h TYR 78 N 1.18 -0.63 -0.19 3.45 3.20 -1.31 -2.53 116.97 120.14 3imr h TYR 78 Ca 0.27 0.01 -0.18 0.00 3.14 0.00 0.00 58.73 61.98 3imr h TYR 78 Cb 0.20 0.25 -0.00 0.00 1.54 0.00 0.00 36.73 38.72 3imr h TYR 78 CO 0.02 -0.34 -0.59 -1.49 -1.64 0.00 0.00 178.16 174.12 3imr h TRP 79 N -0.46 0.81 -0.69 -3.82 4.06 -0.86 -3.11 115.95 111.88 3imr h TRP 79 Ca 0.01 -0.30 -0.00 0.00 2.06 0.00 0.00 58.89 60.66 3imr h TRP 79 Cb 0.46 -0.15 -0.03 0.00 -1.00 0.00 0.00 29.16 28.44 3imr h TRP 79 CO -0.20 1.07 0.42 0.87 -3.56 0.00 0.00 178.44 177.04 3imr h LYS 80 N 0.48 0.94 -0.02 0.49 1.79 -0.81 -1.47 116.57 117.97 3imr h LYS 80 Ca -0.00 -0.09 0.01 0.00 -2.18 0.00 0.00 60.65 58.39 3imr h LYS 80 Cb 1.16 -0.20 -0.00 0.00 -1.58 0.00 0.00 32.23 31.62 3imr h LYS 80 CO 0.12 0.67 0.12 0.00 -1.08 0.00 0.00 179.45 179.27 3imr h ALA 81 N 1.22 1.22 -0.61 3.86 0.00 -1.38 -1.06 119.26 122.50 3imr h ALA 81 Ca 0.25 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.16 3imr h ALA 81 Cb -0.03 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.76 3imr h ALA 81 CO -0.05 -0.13 0.00 1.28 0.00 0.00 0.00 179.25 180.36 3imr n LEU 82 N -3.15 3.70 0.00 0.00 4.77 -0.59 -5.00 117.00 116.73 3imr n LEU 82 Ca -0.02 -1.90 0.00 0.00 -0.03 0.00 0.00 56.01 54.06 3imr n LEU 82 Cb 0.19 -0.40 0.00 0.00 -2.33 0.00 0.00 43.42 40.87 3imr n LEU 82 CO 0.19 0.90 0.00 0.61 -1.33 0.00 0.00 177.39 177.77 3imr n GLY 83 N 1.45 0.54 3.65 -0.72 0.00 -0.40 -5.03 105.19 104.67 3imr n GLY 83 Ca 0.21 -0.39 -0.35 0.00 0.00 0.00 0.00 46.02 45.50 3imr n GLY 83 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3imr s ILE 84 N -2.00 4.82 -0.56 -0.61 1.01 -1.00 -5.03 121.20 117.84 3imr s ILE 84 Ca 0.00 -0.02 -0.21 0.00 0.00 0.00 0.00 60.65 60.41 3imr s ILE 84 Cb 0.00 -3.17 0.06 0.00 0.01 0.00 0.00 42.46 39.36 3imr s ILE 84 CO 0.00 0.47 0.80 -0.55 0.00 0.00 0.00 174.94 175.66 3imr s SER 85 N 0.28 6.25 0.72 3.58 0.15 -1.26 -2.84 113.70 120.58 3imr s SER 85 Ca 0.04 -0.77 -0.05 0.00 0.70 0.00 0.00 55.95 55.87 3imr s SER 85 Cb -0.12 -2.37 0.09 0.00 -1.71 0.00 0.00 66.02 61.91 3imr s SER 85 CO 0.00 -1.12 1.01 -2.16 1.20 0.00 0.00 173.24 172.17 3imr s PRO 86 N 3.35 1.91 -0.12 5.44 0.04 -1.26 -5.00 135.00 139.36 3imr s PRO 86 Ca 0.21 -0.57 -0.26 0.00 0.04 0.00 0.00 61.00 60.42 3imr s PRO 86 Cb -0.17 -2.22 -0.27 0.00 0.04 0.00 0.00 34.50 31.89 3imr s PRO 86 CO 0.14 -1.37 0.74 0.35 0.04 0.00 0.00 177.00 176.90 3imr h PHE 87 N -0.62 0.15 -3.66 0.56 3.57 -1.56 -3.47 116.94 111.91 3imr h PHE 87 Ca -0.42 -0.11 -0.50 0.00 3.53 0.00 0.00 57.97 60.47 3imr h PHE 87 Cb 1.29 -0.01 -0.03 0.00 2.79 0.00 0.00 35.95 40.00 3imr h PHE 87 CO 0.01 1.14 0.09 -1.01 -2.23 0.00 0.00 178.31 176.31 3imr s HIS 88 N -2.29 3.47 0.18 0.41 3.76 -1.26 -4.98 115.29 114.57 3imr s HIS 88 Ca -0.19 1.27 -0.01 0.00 -0.15 0.00 0.00 55.06 55.98 3imr s HIS 88 Cb -0.01 -2.56 0.07 0.00 1.11 0.00 0.00 32.58 31.20 3imr s HIS 88 CO 0.72 0.19 1.45 0.93 -0.85 0.00 0.00 174.74 177.17 3imr h GLU 89 N 2.68 0.40 -2.39 1.40 4.39 -1.98 -3.36 114.58 115.72 3imr h GLU 89 Ca -0.48 -0.32 0.19 0.00 0.34 0.00 0.00 59.36 59.09 3imr h GLU 89 Cb 1.18 0.06 -0.05 0.00 -0.10 0.00 0.00 28.75 29.84 3imr h GLU 89 CO 0.65 0.96 0.60 -3.38 -1.16 0.00 0.00 179.01 176.67 3imr s HIS 90 N -3.65 0.01 -0.11 4.33 -3.43 -1.26 -3.26 115.29 107.92 3imr s HIS 90 Ca -0.06 -0.36 0.02 0.00 -0.80 0.00 0.00 55.06 53.87 3imr s HIS 90 Cb 0.11 0.67 -0.01 0.00 -1.43 0.00 0.00 32.58 31.91 3imr s HIS 90 CO 0.84 -0.82 -0.17 0.00 -2.00 0.00 0.00 174.74 172.59 3imr s ALA 91 N -2.45 2.49 -0.06 -1.38 0.00 -0.53 -4.88 121.76 114.96 3imr s ALA 91 Ca 0.19 -0.93 0.05 0.00 0.00 0.00 0.00 51.96 51.27 3imr s ALA 91 Cb -0.02 -1.05 -0.00 0.00 0.00 0.00 0.00 23.12 22.06 3imr s ALA 91 CO 0.04 0.31 -0.20 -1.21 0.00 0.00 0.00 175.76 174.69 3imr s GLU 92 N 0.17 2.27 -0.15 0.00 2.02 -1.26 -0.33 118.70 121.42 3imr s GLU 92 Ca -0.09 -0.73 0.00 0.00 0.02 0.00 0.00 54.97 54.17 3imr s GLU 92 Cb -0.16 -1.88 0.02 0.00 0.10 0.00 0.00 34.13 32.22 3imr s GLU 92 CO 0.06 0.24 -0.14 0.08 0.02 0.00 0.00 175.26 175.52 3imr s VAL 93 N 0.12 1.62 -0.10 2.63 1.01 0.19 -4.97 120.40 120.90 3imr s VAL 93 Ca -0.08 -0.68 0.04 0.00 0.00 0.00 0.00 61.98 61.26 3imr s VAL 93 Cb -0.14 -1.52 0.00 0.00 0.00 0.00 0.00 36.38 34.72 3imr s VAL 93 CO 0.04 0.45 -0.23 -0.69 0.00 0.00 0.00 175.10 174.67 3imr s VAL 94 N 1.47 2.03 -0.06 2.92 1.01 -1.26 -0.54 120.40 125.96 3imr s VAL 94 Ca 0.05 -1.00 -0.23 0.00 0.00 0.00 0.00 61.98 60.79 3imr s VAL 94 Cb -0.13 -1.76 0.05 0.00 0.00 0.00 0.00 36.38 34.54 3imr s VAL 94 CO -0.11 0.55 0.53 0.72 0.00 0.00 0.00 175.10 176.79 3imr s PHE 95 N 0.38 -0.48 0.07 5.22 -0.71 -0.51 -4.99 117.98 116.95 3imr s PHE 95 Ca -0.18 0.87 -0.30 0.00 -1.04 0.00 0.00 56.93 56.27 3imr s PHE 95 Cb -0.18 0.27 -0.05 0.00 -1.21 0.00 0.00 43.02 41.85 3imr s PHE 95 CO 0.08 -0.48 1.08 0.99 -1.34 0.00 0.00 175.22 175.55 3imr s THR 96 N -1.02 4.35 0.04 -4.49 2.01 -1.26 -0.62 115.64 114.66 3imr s THR 96 Ca -0.10 1.77 0.08 0.00 0.31 0.00 0.00 61.69 63.75 3imr s THR 96 Cb -0.02 -4.13 -0.03 0.00 0.01 0.00 0.00 72.50 68.32 3imr s THR 96 CO 0.07 0.18 -0.21 0.00 -0.69 0.00 0.00 174.62 173.97 3imr s ALA 97 N 0.68 2.47 -1.48 7.40 0.00 0.21 -4.81 121.76 126.23 3imr s ALA 97 Ca 0.53 -1.22 0.00 0.00 0.00 0.00 0.00 51.96 51.27 3imr s ALA 97 Cb -0.26 -0.64 0.00 0.00 0.00 0.00 0.00 23.12 22.22 3imr s ALA 97 CO 0.30 0.56 0.00 0.09 0.00 0.00 0.00 175.76 176.71 3imr n ASN 98 N 1.64 -4.75 -0.01 0.00 3.02 -1.26 -2.50 115.26 111.41 3imr n ASN 98 Ca -0.16 0.20 0.14 0.00 -0.03 0.00 0.00 54.58 54.73 3imr n ASN 98 Cb 0.52 -3.73 0.68 0.00 -0.61 0.00 0.00 39.78 36.65 3imr n ASN 98 CO 0.00 0.00 0.00 -0.90 -2.62 0.00 0.00 177.26 173.74 3imr n ASP 99 N -0.69 0.07 -1.09 6.41 5.75 -1.26 -2.08 116.55 123.66 3imr n ASP 99 Ca -0.17 0.01 -0.03 0.00 -0.01 0.00 0.00 54.79 54.59 3imr n ASP 99 Cb 0.57 -0.31 0.14 0.00 -1.03 0.00 0.00 41.12 40.49 3imr n ASP 99 CO 0.00 0.00 0.00 -1.20 -0.11 0.00 0.00 177.20 175.89 3imr n SER 100 N -1.33 2.63 0.00 -1.12 7.64 -1.26 -5.09 113.62 115.10 3imr n SER 100 Ca 0.12 -3.76 0.00 0.00 1.01 0.00 0.00 58.87 56.24 3imr n SER 100 Cb 0.28 -0.46 0.00 0.00 -1.01 0.00 0.00 64.21 63.01 3imr n SER 100 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3imr n GLY 101 N -0.93 1.21 3.75 0.23 0.00 -0.88 -5.00 105.19 103.56 3imr n GLY 101 Ca 0.26 -2.06 -0.41 0.00 0.00 0.00 0.00 46.02 43.80 3imr n GLY 101 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 3imr s PRO 102 N -1.71 4.23 0.22 1.61 0.02 -1.26 -4.23 135.00 133.87 3imr s PRO 102 Ca 0.00 2.37 0.03 0.00 0.02 0.00 0.00 61.00 63.42 3imr s PRO 102 Cb 0.00 -3.09 -0.05 0.00 0.02 0.00 0.00 34.50 31.38 3imr s PRO 102 CO 0.00 -0.47 0.00 1.03 -0.33 0.00 0.00 177.00 177.23 3imr s ARG 103 N -0.36 1.28 -0.16 5.54 1.81 -1.26 -4.57 118.95 121.23 3imr s ARG 103 Ca 0.60 -1.64 -0.04 0.00 -1.72 0.00 0.00 55.73 52.93 3imr s ARG 103 Cb -0.43 -0.50 -0.03 0.00 -0.45 0.00 0.00 34.95 33.54 3imr s ARG 103 CO 0.44 -0.12 -0.02 1.03 -0.68 0.00 0.00 175.30 175.95 3imr s ARG 104 N -3.89 3.70 -0.10 3.54 0.52 -0.14 -4.86 118.95 117.73 3imr s ARG 104 Ca 0.28 -0.49 0.04 0.00 -0.52 0.00 0.00 55.73 55.04 3imr s ARG 104 Cb 0.06 -2.96 0.00 0.00 0.52 0.00 0.00 34.95 32.57 3imr s ARG 104 CO 0.08 0.26 -0.23 0.71 0.02 0.00 0.00 175.30 176.14 3imr s TYR 105 N 0.32 2.44 -0.21 -0.53 1.51 -0.10 -1.06 117.35 119.72 3imr s TYR 105 Ca -0.03 -0.99 -0.03 0.00 -1.01 0.00 0.00 57.07 55.01 3imr s TYR 105 Cb -0.14 -1.64 -0.01 0.00 -0.11 0.00 0.00 41.96 40.07 3imr s TYR 105 CO 0.02 -0.40 -0.05 0.99 -1.11 0.00 0.00 175.55 175.00 3imr s THR 106 N 0.38 3.31 -0.28 -0.71 2.01 0.13 -1.04 115.64 119.44 3imr s THR 106 Ca -0.18 -0.52 -0.08 0.00 0.31 0.00 0.00 61.69 61.21 3imr s THR 106 Cb -0.18 -2.49 -0.02 0.00 0.01 0.00 0.00 72.50 69.82 3imr s THR 106 CO 0.08 0.44 0.11 -0.63 -0.69 0.00 0.00 174.62 173.93 3imr s ILE 107 N 1.39 4.43 -0.05 1.82 -1.09 0.08 -1.12 121.20 126.65 3imr s ILE 107 Ca 0.05 -0.31 0.04 0.00 -2.23 0.00 0.00 60.65 58.20 3imr s ILE 107 Cb -0.14 -3.17 -0.02 0.00 -1.58 0.00 0.00 42.46 37.55 3imr s ILE 107 CO -0.03 0.20 -0.16 0.00 -1.23 0.00 0.00 174.94 173.73 3imr s ALA 108 N 1.61 2.61 -0.01 9.38 0.00 -0.56 -0.85 121.76 133.93 3imr s ALA 108 Ca 0.05 -0.99 0.01 0.00 0.00 0.00 0.00 51.96 51.04 3imr s ALA 108 Cb -0.16 -0.93 -0.00 0.00 0.00 0.00 0.00 23.12 22.03 3imr s ALA 108 CO 0.05 0.54 -0.05 0.00 0.00 0.00 0.00 175.76 176.31 3imr s ALA 109 N -0.68 0.43 -0.19 0.00 0.00 0.01 -1.37 121.76 119.95 3imr s ALA 109 Ca 0.11 -0.18 -0.01 0.00 0.00 0.00 0.00 51.96 51.88 3imr s ALA 109 Cb -0.11 -0.14 0.00 0.00 0.00 0.00 0.00 23.12 22.88 3imr s ALA 109 CO 0.00 0.08 -0.13 -1.17 0.00 0.00 0.00 175.76 174.54 3imr s LEU 110 N 0.03 2.48 -0.10 0.00 2.96 -0.15 -0.74 118.68 123.16 3imr s LEU 110 Ca 0.00 -0.52 -0.01 0.00 -0.22 0.00 0.00 54.13 53.39 3imr s LEU 110 Cb -0.04 -1.59 -0.03 0.00 0.50 0.00 0.00 46.19 45.04 3imr s LEU 110 CO -0.00 0.02 -0.06 -0.76 -1.32 0.00 0.00 176.35 174.22 3imr s LEU 111 N 1.23 3.19 0.15 -0.68 1.43 -0.24 -1.41 118.68 122.35 3imr s LEU 111 Ca 0.03 -0.06 0.04 0.00 -1.03 0.00 0.00 54.13 53.11 3imr s LEU 111 Cb -0.14 -1.72 -0.04 0.00 0.03 0.00 0.00 46.19 44.32 3imr s LEU 111 CO -0.06 0.30 -0.10 -0.44 0.23 0.00 0.00 176.35 176.28 3imr s SER 112 N -0.41 1.79 0.36 2.29 0.01 -0.19 -0.92 113.70 116.63 3imr s SER 112 Ca 0.06 -1.02 0.08 0.00 1.31 0.00 0.00 55.95 56.38 3imr s SER 112 Cb -0.12 -0.01 0.80 0.00 0.21 0.00 0.00 66.02 66.90 3imr s SER 112 CO 0.02 -0.34 1.89 -0.65 0.41 0.00 0.00 173.24 174.58 3imr h PRO 113 N 2.77 0.69 -0.27 12.44 0.11 -1.99 -2.89 132.00 142.86 3imr h PRO 113 Ca -0.37 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.70 3imr h PRO 113 Cb 1.19 -0.16 0.00 0.00 0.11 0.00 0.00 31.00 32.15 3imr h PRO 113 CO 0.63 0.45 0.00 0.66 -0.21 0.00 0.00 178.00 179.54 3imr n TYR 114 N -4.53 0.57 -3.58 0.65 4.02 -1.26 -1.32 117.16 111.70 3imr n TYR 114 Ca 0.16 -0.66 -0.14 0.00 -0.01 0.00 0.00 57.90 57.24 3imr n TYR 114 Cb 0.41 -0.14 -0.05 0.00 -0.02 0.00 0.00 39.34 39.53 3imr n TYR 114 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 176.86 176.30 3imr s SER 115 N -1.44 -0.43 0.09 7.72 0.15 -1.09 -4.96 113.70 113.75 3imr s SER 115 Ca 0.28 0.19 -0.12 0.00 0.70 0.00 0.00 55.95 57.01 3imr s SER 115 Cb 0.20 0.48 0.01 0.00 -1.71 0.00 0.00 66.02 65.01 3imr s SER 115 CO 0.11 -0.70 0.27 -0.72 1.20 0.00 0.00 173.24 173.40 3imr s TYR 116 N -2.35 0.01 0.01 3.44 1.13 -1.26 -1.02 117.35 117.30 3imr s TYR 116 Ca -0.06 -0.37 0.06 0.00 -1.41 0.00 0.00 57.07 55.30 3imr s TYR 116 Cb -0.01 0.06 -0.02 0.00 -1.10 0.00 0.00 41.96 40.90 3imr s TYR 116 CO -0.01 -0.59 -0.19 -1.12 -2.51 0.00 0.00 175.55 171.13 3imr s SER 117 N -2.75 2.20 0.03 -0.18 0.01 -0.50 -4.98 113.70 107.53 3imr s SER 117 Ca 0.03 -0.41 0.02 0.00 1.31 0.00 0.00 55.95 56.90 3imr s SER 117 Cb 0.03 -0.21 -0.02 0.00 0.21 0.00 0.00 66.02 66.03 3imr s SER 117 CO -0.10 0.18 -0.07 0.28 0.41 0.00 0.00 173.24 173.94 3imr s THR 118 N -0.60 0.44 0.16 1.44 -1.32 -1.26 -0.98 115.64 113.52 3imr s THR 118 Ca 0.07 -0.94 -0.03 0.00 -1.21 0.00 0.00 61.69 59.58 3imr s THR 118 Cb -0.08 -0.51 -0.03 0.00 -1.51 0.00 0.00 72.50 70.37 3imr s THR 118 CO 0.00 -0.35 0.13 0.28 -2.21 0.00 0.00 174.62 172.48 3imr s THR 119 N -1.24 0.06 -0.02 5.08 -1.32 -0.47 -5.00 115.64 112.72 3imr s THR 119 Ca -0.10 -1.85 0.05 0.00 -1.21 0.00 0.00 61.69 58.58 3imr s THR 119 Cb -0.09 -2.18 -0.01 0.00 -1.51 0.00 0.00 72.50 68.71 3imr s THR 119 CO 0.00 -0.27 -0.16 0.00 -2.21 0.00 0.00 174.62 171.99 3imr s ALA 120 N -4.07 1.33 -0.18 11.08 0.00 -1.26 -1.50 121.76 127.16 3imr s ALA 120 Ca 0.28 -0.65 -0.01 0.00 0.00 0.00 0.00 51.96 51.58 3imr s ALA 120 Cb 0.06 -0.38 -0.00 0.00 0.00 0.00 0.00 23.12 22.80 3imr s ALA 120 CO 0.05 0.30 -0.12 0.08 0.00 0.00 0.00 175.76 176.07 3imr s VAL 121 N -0.21 2.84 -0.18 0.00 1.01 -0.28 -4.99 120.40 118.60 3imr s VAL 121 Ca 0.03 -0.69 0.01 0.00 0.00 0.00 0.00 61.98 61.32 3imr s VAL 121 Cb -0.08 -2.23 0.03 0.00 0.00 0.00 0.00 36.38 34.10 3imr s VAL 121 CO 0.00 0.49 -0.12 -0.69 0.00 0.00 0.00 175.10 174.78 3imr s VAL 122 N 1.07 1.62 0.23 2.92 1.01 -1.26 -0.69 120.40 125.29 3imr s VAL 122 Ca -0.00 -0.86 0.11 0.00 0.00 0.00 0.00 61.98 61.22 3imr s VAL 122 Cb -0.15 -1.63 -0.05 0.00 0.00 0.00 0.00 36.38 34.56 3imr s VAL 122 CO -0.03 0.29 -0.20 0.42 0.00 0.00 0.00 175.10 175.58 3imr s THR 123 N 1.43 2.22 -0.33 3.92 -4.23 -0.22 -4.97 115.64 113.46 3imr s THR 123 Ca 0.01 -2.20 -0.06 0.00 -1.18 0.00 0.00 61.69 58.27 3imr s THR 123 Cb -0.15 -2.14 0.04 0.00 1.34 0.00 0.00 72.50 71.59 3imr s THR 123 CO -0.09 -0.34 0.10 0.21 -0.54 0.00 0.00 174.62 173.95 3imr s ASN 124 N -3.11 5.28 0.00 3.99 3.84 -1.26 -0.96 114.94 122.71 3imr s ASN 124 Ca 0.24 -1.14 0.14 0.00 0.21 0.00 0.00 52.86 52.31 3imr s ASN 124 Cb -0.05 -1.86 0.82 0.00 -0.55 0.00 0.00 41.25 39.61 3imr s ASN 124 CO 0.11 -0.32 1.24 -0.81 -2.79 0.00 0.00 177.10 174.53