#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jmr s ALA 2 N 0.00 2.05 0.10 3.04 0.00 -1.26 -5.08 121.76 120.62 2jmr s ALA 2 Ca 0.00 -1.39 -0.16 0.00 0.00 0.00 0.00 51.96 50.41 2jmr s ALA 2 Cb 0.00 -0.27 -0.06 0.00 0.00 0.00 0.00 23.12 22.79 2jmr s ALA 2 CO 0.00 0.38 1.51 -0.44 0.00 0.00 0.00 175.76 177.21 2jmr h ASP 3 N 3.77 0.62 -0.83 0.00 5.19 -2.12 -3.41 116.42 119.64 2jmr h ASP 3 Ca -0.46 -0.36 0.09 0.00 -0.62 0.00 0.00 57.03 55.68 2jmr h ASP 3 Cb 1.19 -0.17 -0.21 0.00 0.18 0.00 0.00 39.33 40.32 2jmr h ASP 3 CO 0.43 0.83 -0.26 -0.44 -3.12 0.00 0.00 179.24 176.67 2jmr s SER 4 N -6.20 -1.31 -0.11 6.45 0.01 -1.26 -5.13 113.70 106.16 2jmr s SER 4 Ca -0.13 0.32 -0.08 0.00 1.31 0.00 0.00 55.95 57.37 2jmr s SER 4 Cb 0.09 1.90 0.04 0.00 0.21 0.00 0.00 66.02 68.25 2jmr s SER 4 CO 0.79 -0.24 0.27 0.28 0.41 0.00 0.00 173.24 174.75 2jmr s THR 5 N 2.87 -0.02 -0.61 1.44 -1.32 -1.26 -5.04 115.64 111.70 2jmr s THR 5 Ca 0.14 0.06 0.25 0.00 -1.21 0.00 0.00 61.69 60.93 2jmr s THR 5 Cb -0.10 -0.40 0.23 0.00 -1.51 0.00 0.00 72.50 70.72 2jmr s THR 5 CO -0.23 0.02 1.59 -0.29 -2.21 0.00 0.00 174.62 173.50 2jmr h ILE 6 N 5.16 0.00 -5.56 5.08 -0.00 -1.96 -3.49 117.51 116.74 2jmr h ILE 6 Ca -0.32 -0.63 -0.08 0.00 -0.00 0.00 0.00 64.86 63.82 2jmr h ILE 6 Cb 1.18 1.51 0.00 0.00 -0.00 0.00 0.00 36.82 39.51 2jmr h ILE 6 CO 0.35 0.00 -0.68 0.41 -0.00 0.00 0.00 178.15 178.23 2jmr n THR 7 N -2.45 -9.54 -1.64 2.19 -1.04 -1.26 -4.93 114.28 95.61 2jmr n THR 7 Ca 0.04 0.76 -0.47 0.00 -2.04 0.00 0.00 64.05 62.34 2jmr n THR 7 Cb 0.46 -6.46 -0.03 0.00 -1.82 0.00 0.00 70.33 62.48 2jmr n THR 7 CO 0.00 0.00 0.00 -0.38 -0.64 0.00 0.00 175.07 174.05 2jmr n ILE 8 N -0.22 0.74 0.20 12.58 -0.00 -1.26 -4.88 119.36 126.52 2jmr n ILE 8 Ca 0.07 -0.19 0.06 0.00 -0.00 0.00 0.00 62.75 62.69 2jmr n ILE 8 Cb 0.49 -1.26 0.54 0.00 -0.00 0.00 0.00 39.64 39.42 2jmr n ILE 8 CO 0.00 0.00 0.00 -0.09 -0.00 0.00 0.00 176.55 176.46 2jmr h ARG 9 N 4.22 0.10 0.00 0.38 9.65 -1.92 -3.45 114.38 123.36 2jmr h ARG 9 Ca -0.45 -0.01 0.00 0.00 -1.10 0.00 0.00 59.98 58.42 2jmr h ARG 9 Cb 1.30 -0.02 0.00 0.00 -1.39 0.00 0.00 29.97 29.86 2jmr h ARG 9 CO 0.76 0.14 0.00 0.41 2.80 0.00 0.00 179.97 184.08 2jmr n GLY 10 N -1.31 0.64 0.00 2.80 0.00 -1.26 -5.07 105.19 100.98 2jmr n GLY 10 Ca -0.02 0.27 0.00 0.00 0.00 0.00 0.00 46.02 46.28 2jmr n GLY 10 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 173.32 174.90 2jmr n TYR 11 N 0.00 0.00 -1.50 1.61 4.11 -1.26 -5.07 117.16 115.05 2jmr n TYR 11 Ca 0.00 0.00 -0.63 0.00 -0.00 0.00 0.00 57.90 57.27 2jmr n TYR 11 Cb 0.00 0.00 -0.11 0.00 -0.00 0.00 0.00 39.34 39.23 2jmr n TYR 11 CO 0.00 0.00 0.00 0.28 -0.00 0.00 0.00 176.86 177.14 2jmr n VAL 12 N -0.07 0.01 -1.62 -3.48 0.31 -1.26 -4.42 118.33 107.80 2jmr n VAL 12 Ca 0.00 -0.01 -0.51 0.00 -0.01 0.00 0.00 64.34 63.81 2jmr n VAL 12 Cb 0.08 -0.54 -0.06 0.00 -0.91 0.00 0.00 33.84 32.41 2jmr n VAL 12 CO 0.00 0.00 0.00 -1.14 -1.32 0.00 0.00 176.83 174.37 2jmr n ARG 13 N 5.83 1.58 -0.37 5.55 0.00 -1.26 -3.85 116.66 124.13 2jmr n ARG 13 Ca 0.43 0.54 0.03 0.00 -0.00 0.00 0.00 57.85 58.85 2jmr n ARG 13 Cb -0.04 -2.46 0.10 0.00 0.00 0.00 0.00 32.46 30.06 2jmr n ARG 13 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.63 177.19 2jmr h ASP 14 N 9.73 -1.15 0.00 6.15 5.19 -1.85 -1.59 116.42 132.90 2jmr h ASP 14 Ca -0.42 0.31 0.00 0.00 -0.62 0.00 0.00 57.03 56.30 2jmr h ASP 14 Cb 1.30 0.68 0.00 0.00 0.18 0.00 0.00 39.33 41.49 2jmr h ASP 14 CO 0.97 -0.31 0.00 0.59 -3.12 0.00 0.00 179.24 177.37 2jmr n ASN 15 N -5.56 0.00 -2.74 6.45 5.03 -1.08 -3.99 115.26 113.37 2jmr n ASN 15 Ca 0.14 -0.11 -0.00 0.00 0.87 0.00 0.00 54.58 55.47 2jmr n ASN 15 Cb 0.46 0.00 0.02 0.00 -1.02 0.00 0.00 39.78 39.23 2jmr n ASN 15 CO 0.00 0.00 0.00 -0.83 -1.83 0.00 0.00 177.26 174.60 2jmr s GLY 16 N -1.99 -1.69 -0.26 7.41 0.00 -0.60 -4.43 107.32 105.77 2jmr s GLY 16 Ca 0.05 0.92 -0.40 0.00 0.00 0.00 0.00 44.72 45.28 2jmr s GLY 16 CO 0.04 4.27 1.69 0.00 0.00 0.00 0.00 173.10 179.10 2jmr s SER 18 N 3.21 4.32 0.42 0.00 0.01 -0.93 -4.80 113.70 115.93 2jmr s SER 18 Ca 0.98 2.44 -0.26 0.00 1.31 0.00 0.00 55.95 60.42 2jmr s SER 18 Cb -1.09 -2.60 -0.08 0.00 0.21 0.00 0.00 66.02 62.45 2jmr s SER 18 CO 0.65 -2.18 1.33 0.54 0.41 0.00 0.00 173.24 173.99 2jmr s VAL 19 N -1.80 2.47 0.78 3.43 0.11 -1.26 -1.34 120.40 122.78 2jmr s VAL 19 Ca 0.77 0.42 -0.12 0.00 -2.93 0.00 0.00 61.98 60.12 2jmr s VAL 19 Cb -0.32 -3.25 0.06 0.00 -1.53 0.00 0.00 36.38 31.35 2jmr s VAL 19 CO 0.43 0.06 1.10 0.00 -3.33 0.00 0.00 175.10 173.36 2jmr s ALA 20 N -1.25 2.40 0.19 1.54 0.00 -0.42 -4.65 121.76 119.57 2jmr s ALA 20 Ca 0.58 -0.26 -0.12 0.00 0.00 0.00 0.00 51.96 52.16 2jmr s ALA 20 Cb -0.39 -3.08 0.15 0.00 0.00 0.00 0.00 23.12 19.80 2jmr s ALA 20 CO 0.51 -1.60 1.82 0.00 0.00 0.00 0.00 175.76 176.49 2jmr h ALA 21 N -0.99 0.78 0.00 0.00 0.00 -1.90 -2.30 119.26 114.85 2jmr h ALA 21 Ca -0.47 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.44 2jmr h ALA 21 Cb 1.27 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.89 2jmr h ALA 21 CO 0.61 0.08 0.00 -0.85 0.00 0.00 0.00 179.25 179.09 2jmr n GLU 22 N -4.76 0.42 0.00 0.00 0.28 -1.26 -2.53 120.64 112.80 2jmr n GLU 22 Ca 0.06 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 57.06 2jmr n GLU 22 Cb 0.10 -1.22 0.00 0.00 1.43 0.00 0.00 31.44 31.75 2jmr n GLU 22 CO 0.00 0.00 0.00 -1.13 -0.16 0.00 0.00 177.13 175.84 2jmr n SER 23 N 0.31 0.00 -4.69 -1.84 3.41 -0.91 -4.89 113.62 105.01 2jmr n SER 23 Ca 0.00 0.00 -0.42 0.00 -0.26 0.00 0.00 58.87 58.19 2jmr n SER 23 Cb 0.11 0.00 -0.03 0.00 -0.26 0.00 0.00 64.21 64.03 2jmr n SER 23 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 175.04 175.30 2jmr s THR 24 N -1.00 4.01 -1.65 6.66 -4.23 -0.92 -3.38 115.64 115.14 2jmr s THR 24 Ca 0.00 1.37 -0.13 0.00 -1.18 0.00 0.00 61.69 61.75 2jmr s THR 24 Cb 0.00 -3.88 0.11 0.00 1.34 0.00 0.00 72.50 70.07 2jmr s THR 24 CO 0.00 0.01 0.57 0.59 -0.54 0.00 0.00 174.62 175.25 2jmr n ASN 25 N 5.11 -1.85 -2.92 3.99 3.02 -1.23 -4.93 115.26 116.45 2jmr n ASN 25 Ca 0.12 -1.08 0.00 0.00 -0.03 0.00 0.00 54.58 53.58 2jmr n ASN 25 Cb 0.45 -2.50 0.00 0.00 -0.61 0.00 0.00 39.78 37.12 2jmr n ASN 25 CO 0.00 0.00 0.00 2.22 -2.62 0.00 0.00 177.26 176.86 2jmr n PHE 26 N -4.37 -0.38 -3.75 3.10 -1.74 -1.22 -5.01 117.46 104.09 2jmr n PHE 26 Ca -0.06 0.00 -0.13 0.00 -0.56 0.00 0.00 57.45 56.71 2jmr n PHE 26 Cb 0.56 0.00 -0.08 0.00 1.52 0.00 0.00 39.48 41.48 2jmr n PHE 26 CO 0.00 0.00 0.00 0.99 -0.56 0.00 0.00 176.76 177.19 2jmr s THR 27 N -0.09 0.07 -0.20 1.97 2.01 -1.26 -4.50 115.64 113.63 2jmr s THR 27 Ca 0.00 -0.56 -0.09 0.00 0.31 0.00 0.00 61.69 61.35 2jmr s THR 27 Cb 0.00 -0.79 -0.04 0.00 0.01 0.00 0.00 72.50 71.68 2jmr s THR 27 CO 0.00 -0.31 0.10 -0.69 -0.69 0.00 0.00 174.62 173.03 2jmr s VAL 28 N -1.94 5.03 -0.52 3.82 1.01 0.08 -5.01 120.40 122.87 2jmr s VAL 28 Ca -0.09 0.06 -0.29 0.00 0.00 0.00 0.00 61.98 61.66 2jmr s VAL 28 Cb -0.03 -3.29 0.03 0.00 0.00 0.00 0.00 36.38 33.08 2jmr s VAL 28 CO 0.01 0.43 1.20 -0.62 0.00 0.00 0.00 175.10 176.12 2jmr s ASP 29 N 0.53 6.50 -0.45 3.32 2.15 -1.26 -2.19 116.67 125.28 2jmr s ASP 29 Ca 0.05 0.33 -0.10 0.00 0.43 0.00 0.00 52.55 53.27 2jmr s ASP 29 Cb -0.12 -2.55 0.10 0.00 -0.30 0.00 0.00 42.92 40.04 2jmr s ASP 29 CO 0.00 -1.39 0.31 -0.76 -0.17 0.00 0.00 175.17 173.16 2jmr s LEU 30 N 4.85 5.42 0.01 -1.34 1.02 -1.03 -4.99 118.68 122.62 2jmr s LEU 30 Ca 0.47 -1.66 -0.03 0.00 0.02 0.00 0.00 54.13 52.93 2jmr s LEU 30 Cb -0.08 -2.01 -0.01 0.00 0.02 0.00 0.00 46.19 44.11 2jmr s LEU 30 CO 0.29 -0.61 0.25 0.23 0.02 0.00 0.00 176.35 176.52 2jmr n MET 31 N 4.94 -0.04 -3.74 1.70 2.81 -1.26 -3.84 117.12 117.68 2jmr n MET 31 Ca -0.09 0.24 0.00 0.00 -1.81 0.00 0.00 57.70 56.04 2jmr n MET 31 Cb 0.42 -0.36 0.00 0.00 -0.71 0.00 0.00 33.22 32.57 2jmr n MET 31 CO 0.00 0.00 0.00 -0.85 1.51 0.00 0.00 175.97 176.63 2jmr n GLU 32 N -3.08 -1.35 -3.50 0.03 0.00 -1.26 -4.33 120.64 107.15 2jmr n GLU 32 Ca 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 57.16 57.06 2jmr n GLU 32 Cb 0.02 0.00 -0.03 0.00 0.00 0.00 0.00 31.44 31.43 2jmr n GLU 32 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.13 177.67 2jmr s ASN 33 N -4.00 -0.44 0.60 -1.84 6.03 -0.92 -4.87 114.94 109.49 2jmr s ASN 33 Ca 0.00 0.13 -0.18 0.00 -1.03 0.00 0.00 52.86 51.78 2jmr s ASN 33 Cb 0.00 0.44 -0.03 0.00 -3.03 0.00 0.00 41.25 38.63 2jmr s ASN 33 CO 0.00 -0.66 1.15 0.00 -2.03 0.00 0.00 177.10 175.56 2jmr s ALA 34 N -2.80 2.55 0.01 3.54 0.00 -1.26 -0.39 121.76 123.41 2jmr s ALA 34 Ca 0.02 0.82 -0.25 0.00 0.00 0.00 0.00 51.96 52.54 2jmr s ALA 34 Cb -0.01 -3.39 -0.15 0.00 0.00 0.00 0.00 23.12 19.58 2jmr s ALA 34 CO -0.07 -1.08 1.09 0.00 0.00 0.00 0.00 175.76 175.69 2jmr h ALA 35 N 0.72 -0.79 0.00 0.00 0.00 -0.85 -3.39 119.26 114.96 2jmr h ALA 35 Ca -0.49 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.22 2jmr h ALA 35 Cb 1.27 0.30 0.00 0.00 0.00 0.00 0.00 17.79 19.37 2jmr h ALA 35 CO 0.55 -0.77 0.00 1.63 0.00 0.00 0.00 179.25 180.66 2jmr n LYS 36 N -5.32 0.15 0.27 0.00 5.02 -1.26 -1.72 118.16 115.30 2jmr n LYS 36 Ca -0.11 0.14 0.15 0.00 -2.02 0.00 0.00 58.31 56.47 2jmr n LYS 36 Cb 0.33 -1.50 0.71 0.00 -0.02 0.00 0.00 35.03 34.55 2jmr n LYS 36 CO 0.00 0.00 0.00 -0.56 -0.52 0.00 0.00 177.40 176.32 2jmr h GLN 37 N 0.00 0.00 -2.45 1.97 3.07 -1.96 -3.36 115.11 112.38 2jmr h GLN 37 Ca 0.00 0.00 -0.67 0.00 0.09 0.00 0.00 58.65 58.07 2jmr h GLN 37 Cb 0.24 0.00 -0.14 0.00 0.08 0.00 0.00 27.48 27.66 2jmr h GLN 37 CO 0.00 0.09 1.87 1.19 0.09 0.00 0.00 178.83 182.07 2jmr n PHE 38 N -3.30 2.31 -1.09 0.06 3.72 -0.70 -4.69 117.46 113.78 2jmr n PHE 38 Ca -0.01 -2.58 -0.19 0.00 -0.05 0.00 0.00 57.45 54.62 2jmr n PHE 38 Cb 0.29 -1.72 0.20 0.00 -0.94 0.00 0.00 39.48 37.31 2jmr n PHE 38 CO 0.00 0.00 0.00 0.27 -0.05 0.00 0.00 176.76 176.98 2jmr n ASN 39 N 1.51 3.93 0.00 4.37 2.04 -1.26 -4.24 115.26 121.62 2jmr n ASN 39 Ca 0.59 -3.46 0.00 0.00 -0.44 0.00 0.00 54.58 51.27 2jmr n ASN 39 Cb 0.33 -0.81 0.00 0.00 -2.53 0.00 0.00 39.78 36.77 2jmr n ASN 39 CO 0.00 0.00 0.00 -0.46 -0.44 0.00 0.00 177.26 176.36 2jmr n ASN 40 N -0.87 0.00 0.09 0.53 0.23 -1.26 -4.95 115.26 109.02 2jmr n ASN 40 Ca 0.53 0.00 -0.08 0.00 -0.53 0.00 0.00 54.58 54.50 2jmr n ASN 40 Cb 1.57 0.00 -0.03 0.00 -2.08 0.00 0.00 39.78 39.24 2jmr n ASN 40 CO 0.00 0.00 0.00 0.40 -0.93 0.00 0.00 177.26 176.73 2jmr h ILE 41 N 0.01 1.55 0.00 1.53 5.03 -1.87 -3.32 117.51 120.43 2jmr h ILE 41 Ca 0.00 -2.81 0.00 0.00 -0.12 0.00 0.00 64.86 61.93 2jmr h ILE 41 Cb 0.00 2.57 0.00 0.00 -3.03 0.00 0.00 36.82 36.36 2jmr h ILE 41 CO 0.00 0.81 0.00 0.61 -0.68 0.00 0.00 178.15 178.89 2jmr n GLY 42 N 0.99 -0.66 3.58 5.37 0.00 -1.26 -4.42 105.19 108.78 2jmr n GLY 42 Ca -0.03 -0.07 -0.32 0.00 0.00 0.00 0.00 46.02 45.60 2jmr n GLY 42 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2jmr s ALA 43 N -2.43 2.18 0.29 4.61 0.00 -1.25 -4.95 121.76 120.21 2jmr s ALA 43 Ca 0.15 -2.30 -0.27 0.00 0.00 0.00 0.00 51.96 49.54 2jmr s ALA 43 Cb 0.09 -4.66 -0.10 0.00 0.00 0.00 0.00 23.12 18.46 2jmr s ALA 43 CO 0.20 -4.70 0.94 0.95 0.00 0.00 0.00 175.76 173.16 2jmr s THR 44 N 9.16 4.15 0.67 0.00 -4.23 -1.26 -3.49 115.64 120.64 2jmr s THR 44 Ca 0.64 1.91 -0.06 0.00 -1.18 0.00 0.00 61.69 63.01 2jmr s THR 44 Cb 0.00 -4.12 0.05 0.00 1.34 0.00 0.00 72.50 69.77 2jmr s THR 44 CO 0.10 0.27 0.98 0.42 -0.54 0.00 0.00 174.62 175.85 2jmr s THR 45 N -1.46 2.52 -0.69 3.99 -4.23 -1.22 -5.00 115.64 109.56 2jmr s THR 45 Ca 0.47 -0.26 -0.26 0.00 -1.18 0.00 0.00 61.69 60.46 2jmr s THR 45 Cb -0.21 -3.07 -0.02 0.00 1.34 0.00 0.00 72.50 70.54 2jmr s THR 45 CO 0.27 -0.08 1.78 -2.16 -0.54 0.00 0.00 174.62 173.89 2jmr s PRO 46 N -5.17 2.72 -0.40 3.99 0.04 -1.26 -4.86 135.00 130.07 2jmr s PRO 46 Ca 0.59 0.29 -0.39 0.00 0.04 0.00 0.00 61.00 61.53 2jmr s PRO 46 Cb -0.11 -4.50 -0.15 0.00 0.04 0.00 0.00 34.50 29.79 2jmr s PRO 46 CO 0.44 -2.74 2.10 1.33 0.04 0.00 0.00 177.00 178.18 2jmr n VAL 47 N 7.19 0.12 -2.64 -0.36 0.24 -1.26 -4.92 118.33 116.70 2jmr n VAL 47 Ca 0.21 -0.13 -0.40 0.00 -2.04 0.00 0.00 64.34 61.98 2jmr n VAL 47 Cb 0.51 -1.13 -0.05 0.00 -1.47 0.00 0.00 33.84 31.69 2jmr n VAL 47 CO 0.00 0.00 0.00 -0.69 -2.14 0.00 0.00 176.83 174.00 2jmr s VAL 48 N 6.27 3.84 -0.07 3.34 1.01 -0.01 -4.81 120.40 129.97 2jmr s VAL 48 Ca 1.12 1.85 -0.30 0.00 0.00 0.00 0.00 61.98 64.66 2jmr s VAL 48 Cb -1.14 -4.18 -0.06 0.00 0.00 0.00 0.00 36.38 31.01 2jmr s VAL 48 CO 0.58 0.44 1.72 -2.16 0.00 0.00 0.00 175.10 175.68 2jmr s PRO 49 N -1.30 4.09 -0.01 2.72 0.04 -1.26 -1.80 135.00 137.48 2jmr s PRO 49 Ca 0.42 2.18 -0.10 0.00 0.04 0.00 0.00 61.00 63.55 2jmr s PRO 49 Cb -0.28 -4.03 0.01 0.00 0.04 0.00 0.00 34.50 30.23 2jmr s PRO 49 CO 0.35 -0.97 0.20 0.12 0.04 0.00 0.00 177.00 176.75 2jmr s PHE 50 N 4.41 -0.05 0.15 0.56 5.36 -1.19 -4.92 117.98 122.29 2jmr s PHE 50 Ca 0.76 0.05 -0.10 0.00 -0.96 0.00 0.00 56.93 56.69 2jmr s PHE 50 Cb -0.34 0.01 -0.00 0.00 -0.34 0.00 0.00 43.02 42.35 2jmr s PHE 50 CO 0.31 -0.31 0.28 -0.98 -1.46 0.00 0.00 175.22 173.07 2jmr s ARG 51 N -1.26 1.10 -0.06 10.12 1.04 -1.26 -3.40 118.95 125.23 2jmr s ARG 51 Ca -0.13 -1.10 -0.12 0.00 -1.04 0.00 0.00 55.73 53.34 2jmr s ARG 51 Cb -0.06 0.38 -0.05 0.00 -2.04 0.00 0.00 34.95 33.18 2jmr s ARG 51 CO 0.02 -0.40 0.30 0.42 -0.04 0.00 0.00 175.30 175.60 2jmr s ILE 52 N -3.93 5.23 -0.24 4.99 1.01 -1.26 -5.04 121.20 121.96 2jmr s ILE 52 Ca 0.14 0.58 -0.05 0.00 0.00 0.00 0.00 60.65 61.32 2jmr s ILE 52 Cb 0.03 -3.59 -0.01 0.00 0.01 0.00 0.00 42.46 38.91 2jmr s ILE 52 CO -0.03 0.58 -0.00 -0.22 0.00 0.00 0.00 174.94 175.26 2jmr s LEU 53 N -0.91 3.16 -0.36 2.97 0.20 -1.26 -3.99 118.68 118.49 2jmr s LEU 53 Ca 0.20 -0.43 -0.11 0.00 0.69 0.00 0.00 54.13 54.48 2jmr s LEU 53 Cb -0.15 -1.79 0.02 0.00 -0.43 0.00 0.00 46.19 43.84 2jmr s LEU 53 CO 0.09 -0.05 0.21 -0.76 -0.29 0.00 0.00 176.35 175.54 2jmr s LEU 54 N 1.50 4.64 -0.02 -0.68 2.01 -0.51 -1.30 118.68 124.31 2jmr s LEU 54 Ca 0.05 -0.87 -0.29 0.00 0.01 0.00 0.00 54.13 53.03 2jmr s LEU 54 Cb -0.15 -2.04 0.08 0.00 0.01 0.00 0.00 46.19 44.10 2jmr s LEU 54 CO -0.01 -0.35 0.75 -0.55 1.01 0.00 0.00 176.35 177.20 2jmr s SER 55 N 1.58 -0.55 1.07 2.29 0.15 -0.45 -1.16 113.70 116.63 2jmr s SER 55 Ca 0.03 0.41 -0.13 0.00 0.70 0.00 0.00 55.95 56.96 2jmr s SER 55 Cb -0.19 0.49 0.23 0.00 -1.71 0.00 0.00 66.02 64.84 2jmr s SER 55 CO 0.07 -0.64 1.07 -2.84 1.20 0.00 0.00 173.24 172.09 2jmr s PRO 56 N -2.00 -0.13 0.16 5.44 0.02 -1.26 -3.15 135.00 134.08 2jmr s PRO 56 Ca -0.05 0.66 -0.10 0.00 0.02 0.00 0.00 61.00 61.53 2jmr s PRO 56 Cb -0.00 -1.66 -0.00 0.00 0.02 0.00 0.00 34.50 32.85 2jmr s PRO 56 CO 0.01 -3.14 0.30 0.00 -0.33 0.00 0.00 177.00 173.83 2jmr n GLY 58 N -0.21 2.57 0.01 0.00 0.00 -1.25 -3.91 105.19 102.41 2jmr n GLY 58 Ca -0.09 -1.97 0.03 0.00 0.00 0.00 0.00 46.02 43.99 2jmr n GLY 58 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 2jmr n ASN 59 N 0.00 2.59 -4.24 1.61 6.94 -1.26 -0.85 115.26 120.05 2jmr n ASN 59 Ca 0.00 0.00 -0.44 0.00 -0.02 0.00 0.00 54.58 54.12 2jmr n ASN 59 Cb 0.00 1.32 0.00 0.00 -2.36 0.00 0.00 39.78 38.74 2jmr n ASN 59 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 2jmr n ALA 60 N -1.97 4.48 -2.58 -2.53 0.00 -1.26 -4.86 120.51 111.78 2jmr n ALA 60 Ca -0.05 -4.44 -0.20 0.00 0.00 0.00 0.00 53.44 48.75 2jmr n ALA 60 Cb 0.39 -2.80 -0.12 0.00 0.00 0.00 0.00 19.45 16.92 2jmr n ALA 60 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 2jmr s VAL 61 N 0.02 1.43 0.00 0.00 1.01 -1.26 -2.63 120.40 118.97 2jmr s VAL 61 Ca 0.38 -1.54 0.00 0.00 0.00 0.00 0.00 61.98 60.82 2jmr s VAL 61 Cb -0.01 -1.41 0.00 0.00 0.00 0.00 0.00 36.38 34.96 2jmr s VAL 61 CO -0.00 -0.22 0.00 -1.54 0.00 0.00 0.00 175.10 173.34 2jmr n SER 62 N 0.95 0.00 -3.16 3.32 3.41 -1.26 -4.84 113.62 112.03 2jmr n SER 62 Ca -0.19 0.00 -0.15 0.00 -0.26 0.00 0.00 58.87 58.28 2jmr n SER 62 Cb 0.55 0.00 -0.03 0.00 -0.26 0.00 0.00 64.21 64.46 2jmr n SER 62 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2jmr s ALA 63 N -2.00 0.72 0.17 7.33 0.00 -1.26 -1.24 121.76 125.47 2jmr s ALA 63 Ca 0.00 -1.50 -0.16 0.00 0.00 0.00 0.00 51.96 50.31 2jmr s ALA 63 Cb 0.00 1.12 0.03 0.00 0.00 0.00 0.00 23.12 24.27 2jmr s ALA 63 CO 0.00 -0.80 0.44 0.54 0.00 0.00 0.00 175.76 175.94 2jmr s VAL 64 N -2.93 0.05 -0.19 0.00 0.11 -1.26 -2.50 120.40 113.67 2jmr s VAL 64 Ca 0.30 -0.79 -0.01 0.00 -2.93 0.00 0.00 61.98 58.55 2jmr s VAL 64 Cb -0.01 -1.47 0.05 0.00 -1.53 0.00 0.00 36.38 33.43 2jmr s VAL 64 CO 0.20 -0.22 -0.02 -0.54 -3.33 0.00 0.00 175.10 171.19 2jmr s LYS 65 N -3.86 1.22 0.16 1.54 1.02 0.44 -3.85 119.74 116.41 2jmr s LYS 65 Ca 0.08 -0.60 -0.30 0.00 0.02 0.00 0.00 55.97 55.17 2jmr s LYS 65 Cb 0.01 -2.17 -0.07 0.00 -0.52 0.00 0.00 37.83 35.07 2jmr s LYS 65 CO -0.06 -0.54 0.97 0.54 -0.92 0.00 0.00 175.35 175.34 2jmr s VAL 66 N 1.64 4.29 -0.38 3.17 0.11 -1.26 -1.54 120.40 126.43 2jmr s VAL 66 Ca -0.02 2.04 0.01 0.00 -2.93 0.00 0.00 61.98 61.08 2jmr s VAL 66 Cb -0.17 -4.30 0.13 0.00 -1.53 0.00 0.00 36.38 30.52 2jmr s VAL 66 CO -0.07 0.38 0.21 -0.83 -3.33 0.00 0.00 175.10 171.46 2jmr s GLY 67 N -0.44 1.22 -0.24 6.54 0.00 0.16 -4.82 107.32 109.74 2jmr s GLY 67 Ca 0.45 -2.15 -0.29 0.00 0.00 0.00 0.00 44.72 42.73 2jmr s GLY 67 CO 0.31 1.81 1.08 -1.36 0.00 0.00 0.00 173.10 174.95 2jmr s PHE 68 N 0.83 3.23 -0.09 1.90 0.40 -1.26 -0.46 117.98 122.53 2jmr s PHE 68 Ca 0.17 1.35 -0.04 0.00 -0.60 0.00 0.00 56.93 57.81 2jmr s PHE 68 Cb -0.23 -3.38 0.05 0.00 0.51 0.00 0.00 43.02 39.96 2jmr s PHE 68 CO -0.02 -0.72 0.18 0.95 0.70 0.00 0.00 175.22 176.30 2jmr s THR 69 N 3.34 -0.23 0.00 0.64 -4.23 -0.90 -1.36 115.64 112.90 2jmr s THR 69 Ca 0.46 0.29 0.00 0.00 -1.18 0.00 0.00 61.69 61.26 2jmr s THR 69 Cb -0.16 -0.31 0.00 0.00 1.34 0.00 0.00 72.50 73.37 2jmr s THR 69 CO 0.09 0.12 0.00 0.61 -0.54 0.00 0.00 174.62 174.90 2jmr n GLY 70 N 5.03 1.20 3.67 3.99 0.00 -1.26 -0.81 105.19 117.01 2jmr n GLY 70 Ca -0.11 -0.82 -0.43 0.00 0.00 0.00 0.00 46.02 44.66 2jmr n GLY 70 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2jmr s VAL 71 N -2.41 4.26 0.34 1.61 0.11 -1.26 -4.83 120.40 118.23 2jmr s VAL 71 Ca 0.00 1.55 -0.26 0.00 -2.93 0.00 0.00 61.98 60.35 2jmr s VAL 71 Cb 0.00 -4.00 -0.10 0.00 -1.53 0.00 0.00 36.38 30.75 2jmr s VAL 71 CO 0.00 -0.09 0.98 0.00 -3.33 0.00 0.00 175.10 172.66 2jmr s ALA 72 N 3.07 3.18 0.25 1.54 0.00 -1.26 -1.83 121.76 126.71 2jmr s ALA 72 Ca 0.55 0.58 -0.30 0.00 0.00 0.00 0.00 51.96 52.80 2jmr s ALA 72 Cb -0.23 -3.21 -0.09 0.00 0.00 0.00 0.00 23.12 19.59 2jmr s ALA 72 CO 0.17 0.06 1.09 0.34 0.00 0.00 0.00 175.76 177.42 2jmr s ASP 73 N -1.59 7.30 0.50 0.00 2.15 -0.29 -4.33 116.67 120.40 2jmr s ASP 73 Ca 0.52 2.19 0.30 0.00 0.43 0.00 0.00 52.55 55.99 2jmr s ASP 73 Cb -0.20 -2.62 1.40 0.00 -0.30 0.00 0.00 42.92 41.20 2jmr s ASP 73 CO 0.25 -0.14 1.81 0.28 -0.17 0.00 0.00 175.17 177.20 2jmr h SER 74 N 4.23 0.14 0.00 -0.34 0.02 -1.95 -2.33 113.55 113.33 2jmr h SER 74 Ca -0.46 0.03 -0.09 0.00 -0.84 0.00 0.00 61.79 60.43 2jmr h SER 74 Cb 1.21 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.74 2jmr h SER 74 CO 0.69 0.03 -1.02 1.41 -1.14 0.00 0.00 176.83 176.79 2jmr n HIS 75 N -4.34 0.52 -3.89 3.45 8.25 -1.26 -4.78 115.22 113.18 2jmr n HIS 75 Ca 0.24 0.23 -0.29 0.00 -0.26 0.00 0.00 57.72 57.63 2jmr n HIS 75 Cb 1.08 -0.75 -0.13 0.00 1.12 0.00 0.00 29.99 31.31 2jmr n HIS 75 CO 0.00 0.00 0.00 -0.80 0.64 0.00 0.00 176.34 176.18 2jmr s ASN 76 N -6.15 4.24 0.00 0.41 0.02 -1.20 -4.97 114.94 107.29 2jmr s ASN 76 Ca -0.24 -3.14 0.00 0.00 -1.02 0.00 0.00 52.86 48.46 2jmr s ASN 76 Cb 0.05 -1.51 0.00 0.00 0.02 0.00 0.00 41.25 39.81 2jmr s ASN 76 CO 0.37 -0.20 0.92 0.00 0.02 0.00 0.00 177.10 178.21 2jmr n ALA 77 N 2.92 1.04 -0.02 0.60 0.00 -0.88 -0.71 120.51 123.47 2jmr n ALA 77 Ca 0.09 0.00 -0.07 0.00 0.00 0.00 0.00 53.44 53.47 2jmr n ALA 77 Cb 0.33 -0.97 0.12 0.00 0.00 0.00 0.00 19.45 18.93 2jmr n ALA 77 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 177.50 176.59 2jmr h ASN 78 N 0.00 0.61 -3.02 0.00 4.21 -1.90 -3.39 115.58 112.09 2jmr h ASN 78 Ca 0.00 -0.25 -0.48 0.00 1.21 0.00 0.00 56.30 56.78 2jmr h ASN 78 Cb 0.02 -0.17 0.02 0.00 -1.12 0.00 0.00 38.32 37.08 2jmr h ASN 78 CO 0.00 0.92 -0.08 -0.76 -1.29 0.00 0.00 177.43 176.21 2jmr s LEU 79 N -8.60 3.82 0.24 1.61 2.01 0.12 -2.03 118.68 115.85 2jmr s LEU 79 Ca -0.08 0.56 -0.30 0.00 0.01 0.00 0.00 54.13 54.33 2jmr s LEU 79 Cb 0.13 -3.45 -0.09 0.00 0.01 0.00 0.00 46.19 42.79 2jmr s LEU 79 CO 0.82 -0.46 1.09 -0.22 1.01 0.00 0.00 176.35 178.59 2jmr s LEU 80 N -4.49 4.54 0.72 1.79 0.20 -0.75 -1.14 118.68 119.55 2jmr s LEU 80 Ca 0.44 2.18 -0.15 0.00 0.69 0.00 0.00 54.13 57.28 2jmr s LEU 80 Cb -0.10 -3.62 0.03 0.00 -0.43 0.00 0.00 46.19 42.08 2jmr s LEU 80 CO 0.39 -0.15 1.22 0.00 -0.29 0.00 0.00 176.35 177.52 2jmr s ALA 81 N -0.82 2.15 0.96 5.97 0.00 -0.76 -1.55 121.76 127.70 2jmr s ALA 81 Ca 0.46 0.94 0.00 0.00 0.00 0.00 0.00 51.96 53.36 2jmr s ALA 81 Cb -0.31 -3.49 0.00 0.00 0.00 0.00 0.00 23.12 19.33 2jmr s ALA 81 CO 0.38 -1.85 0.00 1.28 0.00 0.00 0.00 175.76 175.57 2jmr n LEU 82 N -2.60 0.00 0.00 0.00 4.32 -1.26 -4.44 117.00 113.02 2jmr n LEU 82 Ca 0.14 0.00 0.03 0.00 -0.02 0.00 0.00 56.01 56.16 2jmr n LEU 82 Cb 0.50 0.00 0.16 0.00 -1.62 0.00 0.00 43.42 42.46 2jmr n LEU 82 CO 0.47 -0.43 0.35 -1.84 -1.22 0.00 0.00 177.39 174.72 2jmr n GLU 83 N -0.86 0.27 -0.74 3.23 0.28 0.42 -4.84 120.64 118.40 2jmr n GLU 83 Ca 0.00 0.00 -0.02 0.00 -0.16 0.00 0.00 57.16 56.98 2jmr n GLU 83 Cb 0.00 -1.31 -0.01 0.00 1.43 0.00 0.00 31.44 31.55 2jmr n GLU 83 CO 0.00 0.00 0.00 -1.71 -0.16 0.00 0.00 177.13 175.26 2jmr n ASN 84 N -0.81 -3.65 -4.87 -1.84 2.85 -1.26 -4.95 115.26 100.74 2jmr n ASN 84 Ca 0.04 0.05 -0.30 0.00 -0.11 0.00 0.00 54.58 54.26 2jmr n ASN 84 Cb 0.02 -2.48 0.08 0.00 1.24 0.00 0.00 39.78 38.63 2jmr n ASN 84 CO 0.00 0.00 0.00 0.28 -2.11 0.00 0.00 177.26 175.43 2jmr s THR 85 N -0.85 2.76 0.45 -0.44 -1.32 -1.26 -4.92 115.64 110.07 2jmr s THR 85 Ca 0.00 0.25 0.11 0.00 -1.21 0.00 0.00 61.69 60.83 2jmr s THR 85 Cb 0.00 -3.19 0.27 0.00 -1.51 0.00 0.00 72.50 68.07 2jmr s THR 85 CO 0.00 -0.32 2.09 -0.37 -2.21 0.00 0.00 174.62 173.81 2jmr h VAL 86 N -0.94 1.06 -0.16 5.08 -1.51 -1.97 -1.77 116.25 116.04 2jmr h VAL 86 Ca -0.46 -0.12 0.00 0.00 -1.23 0.00 0.00 66.70 64.89 2jmr h VAL 86 Cb 1.29 0.69 0.00 0.00 -2.13 0.00 0.00 31.29 31.14 2jmr h VAL 86 CO 0.64 0.06 0.00 -0.24 -1.23 0.00 0.00 177.57 176.80 2jmr n SER 87 N -4.50 2.49 -4.81 4.19 2.88 -1.26 -4.84 113.62 107.77 2jmr n SER 87 Ca 0.01 -1.82 -0.29 0.00 -1.33 0.00 0.00 58.87 55.43 2jmr n SER 87 Cb 0.08 -0.09 0.10 0.00 -0.75 0.00 0.00 64.21 63.55 2jmr n SER 87 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2jmr s ALA 88 N -1.81 2.17 0.86 -1.46 0.00 -0.67 -2.48 121.76 118.37 2jmr s ALA 88 Ca 0.34 -0.35 -0.11 0.00 0.00 0.00 0.00 51.96 51.84 2jmr s ALA 88 Cb 0.20 -3.07 0.11 0.00 0.00 0.00 0.00 23.12 20.37 2jmr s ALA 88 CO 0.30 -1.86 1.10 0.00 0.00 0.00 0.00 175.76 175.30 2jmr s ALA 89 N -3.24 1.73 -0.21 0.00 0.00 -1.26 -4.61 121.76 114.17 2jmr s ALA 89 Ca 0.62 0.21 0.14 0.00 0.00 0.00 0.00 51.96 52.93 2jmr s ALA 89 Cb -0.14 -3.28 -0.23 0.00 0.00 0.00 0.00 23.12 19.47 2jmr s ALA 89 CO 0.53 -2.26 0.01 0.43 0.00 0.00 0.00 175.76 174.47 2jmr n SER 90 N -3.85 0.54 -1.62 0.00 7.64 -1.26 -4.54 113.62 110.52 2jmr n SER 90 Ca 0.09 -0.03 0.01 0.00 1.01 0.00 0.00 58.87 59.95 2jmr n SER 90 Cb 0.54 0.69 0.01 0.00 -1.01 0.00 0.00 64.21 64.44 2jmr n SER 90 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2jmr n GLY 91 N 1.89 1.05 2.45 0.23 0.00 -1.26 -4.99 105.19 104.56 2jmr n GLY 91 Ca -0.35 -0.71 -0.27 0.00 0.00 0.00 0.00 46.02 44.69 2jmr n GLY 91 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2jmr n LEU 92 N 0.21 2.95 -4.59 0.99 4.77 -1.26 -0.48 117.00 119.59 2jmr n LEU 92 Ca -0.00 -5.26 -0.29 0.00 -0.03 0.00 0.00 56.01 50.43 2jmr n LEU 92 Cb 1.02 -0.43 0.22 0.00 -2.33 0.00 0.00 43.42 41.89 2jmr n LEU 92 CO -0.05 2.01 0.59 -0.83 -1.33 0.00 0.00 177.39 177.78 2jmr s GLY 93 N -2.04 1.55 -0.14 -0.72 0.00 -0.98 -4.69 107.32 100.30 2jmr s GLY 93 Ca 0.37 -0.40 -0.10 0.00 0.00 0.00 0.00 44.72 44.59 2jmr s GLY 93 CO -0.06 0.31 0.20 -0.42 0.00 0.00 0.00 173.10 173.13 2jmr s ILE 94 N -2.78 5.39 -0.24 0.90 -1.09 -0.59 -0.65 121.20 122.14 2jmr s ILE 94 Ca 0.67 0.34 -0.00 0.00 -2.23 0.00 0.00 60.65 59.43 2jmr s ILE 94 Cb -0.20 -3.50 0.07 0.00 -1.58 0.00 0.00 42.46 37.25 2jmr s ILE 94 CO 0.60 0.52 -0.01 -1.58 -1.23 0.00 0.00 174.94 173.24 2jmr s GLN 95 N -0.36 1.30 -0.13 2.79 0.74 -0.11 -1.80 119.66 122.09 2jmr s GLN 95 Ca 0.14 -0.92 0.01 0.00 0.05 0.00 0.00 55.36 54.64 2jmr s GLN 95 Cb -0.12 -2.45 -0.01 0.00 1.10 0.00 0.00 33.01 31.52 2jmr s GLN 95 CO 0.03 -0.67 -0.16 -0.51 -0.55 0.00 0.00 175.29 173.44 2jmr s LEU 96 N 1.50 2.54 0.16 3.68 1.02 -1.26 -1.28 118.68 125.03 2jmr s LEU 96 Ca -0.02 -0.40 -0.13 0.00 0.02 0.00 0.00 54.13 53.59 2jmr s LEU 96 Cb -0.18 -1.56 0.02 0.00 0.02 0.00 0.00 46.19 44.48 2jmr s LEU 96 CO -0.09 0.15 0.38 -1.48 0.02 0.00 0.00 176.35 175.33 2jmr s LEU 97 N 0.44 0.58 1.00 1.79 -0.00 -0.73 -3.93 118.68 117.84 2jmr s LEU 97 Ca -0.12 -0.58 -0.17 0.00 -0.00 0.00 0.00 54.13 53.27 2jmr s LEU 97 Cb -0.16 1.65 0.21 0.00 -0.00 0.00 0.00 46.19 47.89 2jmr s LEU 97 CO 0.05 -0.92 1.28 0.54 -0.00 0.00 0.00 176.35 177.31 2jmr s ASN 98 N -2.88 2.73 0.21 1.48 6.03 -1.26 -0.50 114.94 120.76 2jmr s ASN 98 Ca 0.10 0.34 0.07 0.00 -1.03 0.00 0.00 52.86 52.34 2jmr s ASN 98 Cb 0.02 -0.43 0.40 0.00 -3.03 0.00 0.00 41.25 38.21 2jmr s ASN 98 CO -0.05 -2.98 1.06 -1.84 -2.03 0.00 0.00 177.10 171.26 2jmr n GLU 99 N -3.94 0.05 -0.16 3.55 0.28 -0.12 -0.14 120.64 120.16 2jmr n GLU 99 Ca 0.15 0.45 0.10 0.00 -0.16 0.00 0.00 57.16 57.70 2jmr n GLU 99 Cb 0.59 -1.99 0.18 0.00 1.43 0.00 0.00 31.44 31.65 2jmr n GLU 99 CO 0.00 0.00 0.00 1.04 -0.16 0.00 0.00 177.13 178.01 2jmr n GLN 100 N -1.75 2.26 -1.99 3.44 6.02 -1.26 -4.97 117.38 119.13 2jmr n GLN 100 Ca -0.00 -2.08 -0.18 0.00 -0.01 0.00 0.00 57.00 54.73 2jmr n GLN 100 Cb 0.33 -1.43 -0.04 0.00 1.02 0.00 0.00 30.24 30.12 2jmr n GLN 100 CO 0.00 0.00 0.00 1.04 -1.01 0.00 0.00 177.06 177.09 2jmr n GLN 101 N 1.21 -1.64 -3.03 -1.09 1.13 0.80 -4.94 117.38 109.81 2jmr n GLN 101 Ca 0.16 0.96 -0.40 0.00 -1.94 0.00 0.00 57.00 55.78 2jmr n GLN 101 Cb 0.53 -5.45 -0.05 0.00 0.11 0.00 0.00 30.24 25.38 2jmr n GLN 101 CO 0.00 0.00 0.00 1.21 -1.44 0.00 0.00 177.06 176.83 2jmr s ASN 102 N -2.27 7.06 -1.06 1.08 3.84 -1.26 -4.91 114.94 117.42 2jmr s ASN 102 Ca 0.00 1.27 -0.23 0.00 0.21 0.00 0.00 52.86 54.11 2jmr s ASN 102 Cb 0.00 -2.43 -0.04 0.00 -0.55 0.00 0.00 41.25 38.23 2jmr s ASN 102 CO 0.00 -0.08 1.86 -1.58 -2.79 0.00 0.00 177.10 174.51 2jmr s GLN 103 N 0.54 2.82 -0.29 0.43 0.74 -1.26 -4.05 119.66 118.59 2jmr s GLN 103 Ca 0.38 -0.89 -0.32 0.00 0.05 0.00 0.00 55.36 54.58 2jmr s GLN 103 Cb -0.19 -5.21 -0.09 0.00 1.10 0.00 0.00 33.01 28.62 2jmr s GLN 103 CO 0.20 -3.33 2.21 -0.89 -0.55 0.00 0.00 175.29 172.93 2jmr n ILE 104 N 7.57 0.25 -2.37 -2.34 5.41 -1.25 -4.96 119.36 121.67 2jmr n ILE 104 Ca 0.42 -0.35 -0.35 0.00 1.00 0.00 0.00 62.75 63.47 2jmr n ILE 104 Cb 0.47 -2.04 -0.01 0.00 -0.71 0.00 0.00 39.64 37.35 2jmr n ILE 104 CO 0.00 0.00 0.00 -2.84 0.00 0.00 0.00 176.55 173.71 2jmr s PRO 105 N 6.29 3.58 0.36 0.38 0.02 -1.26 -4.82 135.00 139.56 2jmr s PRO 105 Ca 1.06 1.54 -0.28 0.00 0.02 0.00 0.00 61.00 63.33 2jmr s PRO 105 Cb -0.63 -2.10 -0.11 0.00 0.02 0.00 0.00 34.50 31.68 2jmr s PRO 105 CO 0.43 -0.64 1.49 -0.51 -0.33 0.00 0.00 177.00 177.44 2jmr s LEU 106 N -3.57 4.33 -1.65 -5.54 1.02 -0.86 -3.47 118.68 108.94 2jmr s LEU 106 Ca 0.69 3.02 0.00 0.00 0.02 0.00 0.00 54.13 57.86 2jmr s LEU 106 Cb -0.22 -3.66 0.00 0.00 0.02 0.00 0.00 46.19 42.33 2jmr s LEU 106 CO 0.25 -0.86 0.00 0.59 0.02 0.00 0.00 176.35 176.35 2jmr n ASN 107 N 0.73 -5.09 -4.72 2.29 3.02 -0.46 -4.89 115.26 106.14 2jmr n ASN 107 Ca 0.02 0.18 -0.33 0.00 -0.03 0.00 0.00 54.58 54.42 2jmr n ASN 107 Cb 0.39 -4.34 0.11 0.00 -0.61 0.00 0.00 39.78 35.32 2jmr n ASN 107 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2jmr s ALA 108 N -2.78 2.02 0.73 5.41 0.00 -1.23 -5.03 121.76 120.88 2jmr s ALA 108 Ca 0.00 0.68 -0.11 0.00 0.00 0.00 0.00 51.96 52.52 2jmr s ALA 108 Cb 0.00 -3.42 0.03 0.00 0.00 0.00 0.00 23.12 19.74 2jmr s ALA 108 CO 0.00 -2.01 1.08 -1.25 0.00 0.00 0.00 175.76 173.58 2jmr s PRO 109 N -4.26 2.54 0.00 0.00 0.04 -1.26 -4.91 135.00 127.15 2jmr s PRO 109 Ca 0.70 1.14 0.12 0.00 0.04 0.00 0.00 61.00 62.99 2jmr s PRO 109 Cb -0.25 -1.93 0.69 0.00 0.04 0.00 0.00 34.50 33.05 2jmr s PRO 109 CO 0.49 -1.42 1.12 -1.13 0.04 0.00 0.00 177.00 176.10 2jmr n SER 110 N -3.22 0.00 0.06 6.66 3.41 -1.26 -2.40 113.62 116.87 2jmr n SER 110 Ca 0.09 -0.44 0.12 0.00 -0.26 0.00 0.00 58.87 58.37 2jmr n SER 110 Cb 0.53 0.00 0.08 0.00 -0.26 0.00 0.00 64.21 64.56 2jmr n SER 110 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 2jmr n SER 111 N -0.95 0.71 -0.16 4.04 3.41 -1.26 -4.42 113.62 114.98 2jmr n SER 111 Ca 0.09 0.09 0.11 0.00 -0.26 0.00 0.00 58.87 58.90 2jmr n SER 111 Cb 0.04 0.44 0.08 0.00 -0.26 0.00 0.00 64.21 64.51 2jmr n SER 111 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2jmr n ALA 112 N -1.93 3.89 -2.32 7.33 0.00 -1.01 -4.92 120.51 121.56 2jmr n ALA 112 Ca 0.02 -0.52 -0.11 0.00 0.00 0.00 0.00 53.44 52.83 2jmr n ALA 112 Cb 0.47 -0.92 -0.09 0.00 0.00 0.00 0.00 19.45 18.90 2jmr n ALA 112 CO 0.00 0.00 0.00 -0.48 0.00 0.00 0.00 177.50 177.02 2jmr s LEU 113 N -2.79 1.20 0.00 0.00 -0.00 -1.26 -5.07 118.68 110.75 2jmr s LEU 113 Ca 0.14 -1.27 0.00 0.00 -0.00 0.00 0.00 54.13 53.00 2jmr s LEU 113 Cb 0.17 0.56 0.00 0.00 -0.00 0.00 0.00 46.19 46.92 2jmr s LEU 113 CO 0.70 -0.85 0.00 -1.54 -0.00 0.00 0.00 176.35 174.66 2jmr n SER 114 N -0.24 0.00 -0.86 1.48 3.41 -1.26 -4.88 113.62 111.28 2jmr n SER 114 Ca -0.01 -0.59 0.00 0.00 -0.26 0.00 0.00 58.87 58.01 2jmr n SER 114 Cb 0.65 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.60 2jmr n SER 114 CO 0.00 0.00 0.00 1.87 -0.16 0.00 0.00 175.04 176.75 2jmr n TRP 115 N 0.00 -0.12 -4.03 7.33 -0.00 -1.25 -4.54 117.44 114.83 2jmr n TRP 115 Ca 0.00 0.00 -0.26 0.00 -0.00 0.00 0.00 57.50 57.24 2jmr n TRP 115 Cb 0.00 0.00 -0.04 0.00 -0.00 0.00 0.00 31.31 31.27 2jmr n TRP 115 CO 0.00 0.00 0.00 -0.08 -0.00 0.00 0.00 177.69 177.61 2jmr s THR 116 N -2.02 1.90 -0.46 5.87 -1.32 -1.26 -4.95 115.64 113.40 2jmr s THR 116 Ca 0.00 -1.60 -0.27 0.00 -1.21 0.00 0.00 61.69 58.62 2jmr s THR 116 Cb 0.00 -2.49 -0.06 0.00 -1.51 0.00 0.00 72.50 68.44 2jmr s THR 116 CO 0.00 0.00 2.26 -0.89 -2.21 0.00 0.00 174.62 173.78 2jmr s THR 117 N -2.70 3.09 0.01 5.08 2.01 -1.26 -4.48 115.64 117.39 2jmr s THR 117 Ca 0.34 0.06 -0.31 0.00 0.31 0.00 0.00 61.69 62.10 2jmr s THR 117 Cb -0.00 -3.20 -0.09 0.00 0.01 0.00 0.00 72.50 69.22 2jmr s THR 117 CO 0.20 -0.18 1.97 0.18 -0.69 0.00 0.00 174.62 176.10 2jmr n LEU 118 N 14.43 4.03 -4.72 4.42 4.77 -0.38 -4.92 117.00 134.63 2jmr n LEU 118 Ca 0.32 0.90 -0.42 0.00 -0.03 0.00 0.00 56.01 56.78 2jmr n LEU 118 Cb 0.52 -1.50 -0.03 0.00 -2.33 0.00 0.00 43.42 40.08 2jmr n LEU 118 CO 0.70 0.14 1.09 -0.89 -1.33 0.00 0.00 177.39 177.10 2jmr s THR 119 N 4.51 3.19 0.50 -5.08 2.01 -1.26 -4.67 115.64 114.85 2jmr s THR 119 Ca 0.90 0.86 -0.21 0.00 0.31 0.00 0.00 61.69 63.55 2jmr s THR 119 Cb -0.48 -3.55 -0.07 0.00 0.01 0.00 0.00 72.50 68.41 2jmr s THR 119 CO 0.44 0.07 1.11 -2.16 -0.69 0.00 0.00 174.62 173.39 2jmr s PRO 120 N 1.06 3.59 -0.63 4.92 0.04 -1.26 -4.14 135.00 138.59 2jmr s PRO 120 Ca 0.65 1.59 -0.15 0.00 0.04 0.00 0.00 61.00 63.13 2jmr s PRO 120 Cb -0.38 -2.15 0.02 0.00 0.04 0.00 0.00 34.50 32.04 2jmr s PRO 120 CO 0.31 -0.65 0.29 0.41 0.04 0.00 0.00 177.00 177.39 2jmr n GLY 121 N 0.15 -0.36 3.20 0.56 0.00 -0.03 -4.96 105.19 103.75 2jmr n GLY 121 Ca 0.10 0.15 -0.09 0.00 0.00 0.00 0.00 46.02 46.18 2jmr n GLY 121 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2jmr s LYS 122 N -6.09 0.83 -1.15 1.61 2.20 -1.26 -4.91 119.74 110.98 2jmr s LYS 122 Ca 0.21 -0.94 -0.24 0.00 -0.36 0.00 0.00 55.97 54.64 2jmr s LYS 122 Cb -0.12 0.34 -0.12 0.00 -1.51 0.00 0.00 37.83 36.42 2jmr s LYS 122 CO 0.48 -0.26 1.98 -1.25 -0.36 0.00 0.00 175.35 175.94 2jmr s PRO 123 N -3.79 2.18 0.66 4.03 0.04 -1.26 -4.48 135.00 132.39 2jmr s PRO 123 Ca 0.04 -0.97 -0.17 0.00 0.04 0.00 0.00 61.00 59.94 2jmr s PRO 123 Cb 0.05 -5.18 -0.01 0.00 0.04 0.00 0.00 34.50 29.40 2jmr s PRO 123 CO -0.11 -4.34 1.16 0.09 0.04 0.00 0.00 177.00 173.84 2jmr n ASN 124 N 15.65 1.43 -3.59 6.66 5.03 -0.31 -4.80 115.26 135.33 2jmr n ASN 124 Ca 0.44 0.78 -0.16 0.00 0.87 0.00 0.00 54.58 56.51 2jmr n ASN 124 Cb 0.47 -1.49 -0.07 0.00 -1.02 0.00 0.00 39.78 37.67 2jmr n ASN 124 CO 0.00 0.00 0.00 -0.89 -1.83 0.00 0.00 177.26 174.54 2jmr s THR 125 N -1.54 0.01 0.03 3.41 2.01 -1.26 -1.43 115.64 116.87 2jmr s THR 125 Ca 0.79 -0.07 0.07 0.00 0.31 0.00 0.00 61.69 62.79 2jmr s THR 125 Cb -0.38 -0.91 -0.02 0.00 0.01 0.00 0.00 72.50 71.20 2jmr s THR 125 CO 0.44 -0.04 -0.21 -0.76 -0.69 0.00 0.00 174.62 173.36 2jmr s LEU 126 N -0.78 2.14 -0.34 4.42 2.01 -1.26 -5.07 118.68 119.80 2jmr s LEU 126 Ca -0.08 -0.49 -0.29 0.00 0.01 0.00 0.00 54.13 53.28 2jmr s LEU 126 Cb -0.02 -1.00 0.00 0.00 0.01 0.00 0.00 46.19 45.18 2jmr s LEU 126 CO 0.07 0.18 1.35 0.20 1.01 0.00 0.00 176.35 179.16 2jmr s ASN 127 N -1.02 6.55 0.25 2.29 0.01 -1.26 -4.55 114.94 117.21 2jmr s ASN 127 Ca 0.08 1.08 0.01 0.00 -0.71 0.00 0.00 52.86 53.32 2jmr s ASN 127 Cb -0.09 -2.54 -0.04 0.00 0.41 0.00 0.00 41.25 38.99 2jmr s ASN 127 CO 0.01 -1.21 0.13 -0.36 -1.51 0.00 0.00 177.10 174.16 2jmr s PHE 128 N 4.76 1.43 0.12 2.20 0.40 -1.22 -0.94 117.98 124.73 2jmr s PHE 128 Ca 0.58 -1.30 -0.04 0.00 -0.60 0.00 0.00 56.93 55.57 2jmr s PHE 128 Cb -0.16 -0.77 -0.03 0.00 0.51 0.00 0.00 43.02 42.57 2jmr s PHE 128 CO 0.27 -0.49 0.12 0.71 0.70 0.00 0.00 175.22 176.52 2jmr s TYR 129 N -3.85 0.62 0.01 0.36 2.02 0.35 -3.18 117.35 113.69 2jmr s TYR 129 Ca 0.38 -1.02 -0.01 0.00 -0.37 0.00 0.00 57.07 56.05 2jmr s TYR 129 Cb 0.07 -0.31 -0.01 0.00 -0.40 0.00 0.00 41.96 41.30 2jmr s TYR 129 CO 0.14 -0.55 -0.01 0.00 -1.57 0.00 0.00 175.55 173.56 2jmr s ALA 130 N -3.99 0.06 0.00 3.71 0.00 -0.74 -1.77 121.76 119.03 2jmr s ALA 130 Ca 0.18 -0.44 0.00 0.00 0.00 0.00 0.00 51.96 51.70 2jmr s ALA 130 Cb 0.06 0.11 0.00 0.00 0.00 0.00 0.00 23.12 23.30 2jmr s ALA 130 CO -0.02 -0.14 0.00 -2.13 0.00 0.00 0.00 175.76 173.48 2jmr n ARG 131 N 1.86 0.00 -4.12 0.00 3.00 -0.41 -0.83 116.66 116.17 2jmr n ARG 131 Ca -0.22 0.00 -0.29 0.00 -0.00 0.00 0.00 57.85 57.34 2jmr n ARG 131 Cb 0.56 0.00 -0.07 0.00 0.00 0.00 0.00 32.46 32.95 2jmr n ARG 131 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.63 176.46 2jmr s LEU 132 N 0.00 3.54 -0.07 6.15 2.96 -1.26 -0.94 118.68 129.06 2jmr s LEU 132 Ca 0.00 -0.17 -0.00 0.00 -0.22 0.00 0.00 54.13 53.74 2jmr s LEU 132 Cb 0.00 -2.24 0.02 0.00 0.50 0.00 0.00 46.19 44.47 2jmr s LEU 132 CO 0.00 0.15 -0.03 -0.32 -1.32 0.00 0.00 176.35 174.83 2jmr s MET 133 N -2.47 0.88 0.22 1.98 -2.45 0.18 -3.38 119.30 114.25 2jmr s MET 133 Ca 0.27 -0.06 -0.31 0.00 -1.25 0.00 0.00 55.69 54.34 2jmr s MET 133 Cb -0.11 -1.02 -0.11 0.00 1.25 0.00 0.00 34.83 34.84 2jmr s MET 133 CO 0.19 -0.19 1.62 0.00 1.05 0.00 0.00 175.02 177.70 2jmr s ALA 134 N 1.43 3.82 -0.10 4.11 0.00 -1.23 -2.31 121.76 127.48 2jmr s ALA 134 Ca -0.03 1.50 0.11 0.00 0.00 0.00 0.00 51.96 53.55 2jmr s ALA 134 Cb -0.13 -3.65 -0.16 0.00 0.00 0.00 0.00 23.12 19.17 2jmr s ALA 134 CO -0.03 -0.88 0.28 0.25 0.00 0.00 0.00 175.76 175.38 2jmr n THR 135 N 3.38 0.00 -4.15 0.00 -2.24 0.37 -4.59 114.28 107.05 2jmr n THR 135 Ca 0.13 -0.25 -0.14 0.00 -2.27 0.00 0.00 64.05 61.51 2jmr n THR 135 Cb 0.37 0.37 -0.07 0.00 -2.10 0.00 0.00 70.33 68.90 2jmr n THR 135 CO 0.00 0.00 0.00 -1.10 -0.57 0.00 0.00 175.07 173.40 2jmr s GLN 136 N -2.65 1.60 -0.68 -0.78 -1.52 -1.16 -4.82 119.66 109.64 2jmr s GLN 136 Ca -0.03 -1.69 0.02 0.00 -1.95 0.00 0.00 55.36 51.71 2jmr s GLN 136 Cb 0.07 0.37 0.37 0.00 -0.22 0.00 0.00 33.01 33.60 2jmr s GLN 136 CO 0.46 -0.61 1.46 1.33 -0.25 0.00 0.00 175.29 177.68 2jmr n VAL 137 N -0.46 3.49 0.09 1.09 0.24 -1.26 -4.66 118.33 116.87 2jmr n VAL 137 Ca 0.02 -5.07 -0.04 0.00 -2.04 0.00 0.00 64.34 57.22 2jmr n VAL 137 Cb 0.63 -1.34 -0.07 0.00 -1.47 0.00 0.00 33.84 31.60 2jmr n VAL 137 CO 0.00 0.00 0.00 1.55 -2.14 0.00 0.00 176.83 176.24 2jmr h PRO 138 N 3.05 0.00 -6.91 7.34 0.13 -1.93 -3.48 132.00 130.20 2jmr h PRO 138 Ca 0.38 0.00 -0.59 0.00 -0.87 0.00 0.00 66.00 64.92 2jmr h PRO 138 Cb 0.48 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.60 2jmr h PRO 138 CO 1.06 0.82 -1.01 1.33 -0.23 0.00 0.00 178.00 179.97 2jmr n VAL 139 N -3.31 -2.88 -5.01 1.56 0.24 -1.26 -4.99 118.33 102.68 2jmr n VAL 139 Ca 0.01 -0.61 -0.27 0.00 -2.04 0.00 0.00 64.34 61.42 2jmr n VAL 139 Cb 0.87 -2.40 -0.16 0.00 -1.47 0.00 0.00 33.84 30.68 2jmr n VAL 139 CO 0.00 0.00 0.00 -0.89 -2.14 0.00 0.00 176.83 173.80 2jmr s THR 140 N -3.52 1.63 1.29 3.34 2.01 -1.26 -4.75 115.64 114.39 2jmr s THR 140 Ca 0.49 -0.88 -0.17 0.00 0.31 0.00 0.00 61.69 61.45 2jmr s THR 140 Cb -0.27 -1.36 0.33 0.00 0.01 0.00 0.00 72.50 71.21 2jmr s THR 140 CO 0.97 0.46 0.97 0.00 -0.69 0.00 0.00 174.62 176.34 2jmr s ALA 141 N -0.42 -0.81 0.00 7.40 0.00 -1.26 -4.45 121.76 122.22 2jmr s ALA 141 Ca 0.06 -0.39 0.00 0.00 0.00 0.00 0.00 51.96 51.63 2jmr s ALA 141 Cb -0.09 -3.14 0.00 0.00 0.00 0.00 0.00 23.12 19.90 2jmr s ALA 141 CO -0.00 -4.29 0.00 0.41 0.00 0.00 0.00 175.76 171.88 2jmr n GLY 142 N 1.24 3.65 3.76 0.00 0.00 -1.23 -4.27 105.19 108.35 2jmr n GLY 142 Ca 0.06 -0.50 -0.41 0.00 0.00 0.00 0.00 46.02 45.17 2jmr n GLY 142 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 2jmr s HIS 143 N -1.82 2.78 -0.05 1.61 0.00 -1.03 -0.38 115.29 116.40 2jmr s HIS 143 Ca 0.00 1.07 -0.24 0.00 -3.00 0.00 0.00 55.06 52.90 2jmr s HIS 143 Cb 0.00 -3.95 -0.04 0.00 -4.00 0.00 0.00 32.58 24.59 2jmr s HIS 143 CO 0.00 -2.92 0.72 0.42 -1.00 0.00 0.00 174.74 171.95 2jmr s ILE 144 N -0.61 4.99 -0.29 -5.38 -1.09 -0.02 -4.01 121.20 114.79 2jmr s ILE 144 Ca 0.56 1.49 -0.13 0.00 -2.23 0.00 0.00 60.65 60.34 2jmr s ILE 144 Cb -0.45 -4.06 0.13 0.00 -1.58 0.00 0.00 42.46 36.50 2jmr s ILE 144 CO 0.54 0.27 0.75 0.20 -1.23 0.00 0.00 174.94 175.47 2jmr s ASN 145 N 0.66 -0.94 0.30 3.58 0.01 -1.24 -2.09 114.94 115.21 2jmr s ASN 145 Ca 0.38 1.35 -0.01 0.00 -0.71 0.00 0.00 52.86 53.88 2jmr s ASN 145 Cb -0.18 1.86 -0.02 0.00 0.41 0.00 0.00 41.25 43.32 2jmr s ASN 145 CO 0.19 -0.20 0.35 0.00 -1.51 0.00 0.00 177.10 175.94 2jmr s ALA 146 N 2.36 1.01 -0.19 0.60 0.00 -1.23 -0.44 121.76 123.86 2jmr s ALA 146 Ca -0.07 -1.62 -0.21 0.00 0.00 0.00 0.00 51.96 50.06 2jmr s ALA 146 Cb -0.08 1.28 0.06 0.00 0.00 0.00 0.00 23.12 24.37 2jmr s ALA 146 CO -0.19 -0.72 0.59 -0.08 0.00 0.00 0.00 175.76 175.36 2jmr s THR 147 N -3.52 0.00 0.06 0.00 -1.32 -1.26 -4.13 115.64 105.47 2jmr s THR 147 Ca 0.34 -0.03 -0.03 0.00 -1.21 0.00 0.00 61.69 60.76 2jmr s THR 147 Cb 0.02 -0.84 0.01 0.00 -1.51 0.00 0.00 72.50 70.19 2jmr s THR 147 CO 0.19 -0.01 0.18 0.00 -2.21 0.00 0.00 174.62 172.76 2jmr n ALA 148 N 2.47 -0.43 -3.82 11.08 0.00 -1.09 -4.31 120.51 124.41 2jmr n ALA 148 Ca -0.15 -0.23 -0.27 0.00 0.00 0.00 0.00 53.44 52.79 2jmr n ALA 148 Cb 0.56 0.16 -0.17 0.00 0.00 0.00 0.00 19.45 20.01 2jmr n ALA 148 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 2jmr s THR 149 N -2.68 0.82 -0.13 0.00 -4.23 0.01 -0.90 115.64 108.53 2jmr s THR 149 Ca 0.04 -0.52 -0.29 0.00 -1.18 0.00 0.00 61.69 59.73 2jmr s THR 149 Cb -0.01 -1.11 -0.01 0.00 1.34 0.00 0.00 72.50 72.71 2jmr s THR 149 CO 0.02 0.02 1.04 0.72 -0.54 0.00 0.00 174.62 175.88 2jmr s PHE 150 N 1.75 3.43 0.21 3.99 -0.71 -0.81 -2.13 117.98 123.71 2jmr s PHE 150 Ca 0.00 1.52 0.02 0.00 -1.04 0.00 0.00 56.93 57.44 2jmr s PHE 150 Cb -0.16 -3.24 -0.05 0.00 -1.21 0.00 0.00 43.02 38.37 2jmr s PHE 150 CO -0.07 -0.42 0.02 0.95 -1.34 0.00 0.00 175.22 174.36 2jmr s THR 151 N 2.33 0.79 -0.19 -4.49 -4.23 0.39 -4.31 115.64 105.93 2jmr s THR 151 Ca 0.48 -2.00 -0.04 0.00 -1.18 0.00 0.00 61.69 58.95 2jmr s THR 151 Cb -0.18 -2.32 0.08 0.00 1.34 0.00 0.00 72.50 71.42 2jmr s THR 151 CO 0.16 -0.31 0.18 -0.76 -0.54 0.00 0.00 174.62 173.35 2jmr s LEU 152 N -3.26 0.01 -0.37 4.79 2.01 -1.26 -0.66 118.68 119.94 2jmr s LEU 152 Ca 0.29 -0.29 -0.22 0.00 0.01 0.00 0.00 54.13 53.92 2jmr s LEU 152 Cb 0.06 0.22 0.01 0.00 0.01 0.00 0.00 46.19 46.49 2jmr s LEU 152 CO 0.08 -0.33 0.70 -1.61 1.01 0.00 0.00 176.35 176.20 2jmr s GLU 153 N 2.28 3.68 1.03 1.70 8.01 -0.59 -4.85 118.70 129.96 2jmr s GLU 153 Ca 0.05 0.13 -0.13 0.00 0.01 0.00 0.00 54.97 55.04 2jmr s GLU 153 Cb -0.16 -3.82 0.21 0.00 -4.31 0.00 0.00 34.13 26.05 2jmr s GLU 153 CO -0.11 -0.80 1.09 0.71 0.01 0.00 0.00 175.26 176.15 2jmr s TYR 154 N 2.88 1.99 0.00 1.61 2.02 -1.26 -0.42 117.35 124.17 2jmr s TYR 154 Ca 0.27 0.98 0.00 0.00 -0.37 0.00 0.00 57.07 57.95 2jmr s TYR 154 Cb -0.14 -3.26 0.00 0.00 -0.40 0.00 0.00 41.96 38.17 2jmr s TYR 154 CO 0.16 -3.07 0.86 0.94 -1.57 0.00 0.00 175.55 172.87 2jmr n GLN 155 N -4.30 0.54 -2.06 -0.62 0.00 -1.04 -4.83 117.38 105.06 2jmr n GLN 155 Ca 0.05 0.00 -0.42 0.00 -0.00 0.00 0.00 57.00 56.62 2jmr n GLN 155 Cb 0.57 -1.23 -0.03 0.00 0.00 0.00 0.00 30.24 29.56 2jmr n GLN 155 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.06 176.55 2jmr s ASP 156 N 1.59 6.68 0.56 1.69 1.01 -1.26 -4.89 116.67 122.04 2jmr s ASP 156 Ca 0.00 2.13 0.35 0.00 0.71 0.00 0.00 52.55 55.74 2jmr s ASP 156 Cb 0.00 -2.53 1.52 0.00 1.01 0.00 0.00 42.92 42.91 2jmr s ASP 156 CO 0.00 -0.93 2.03 -1.13 0.21 0.00 0.00 175.17 175.35 2jmr h ASN 157 N 9.47 0.00 -0.70 0.27 -1.24 -2.02 -3.40 115.58 117.95 2jmr h ASN 157 Ca -0.37 0.00 0.13 0.00 0.71 0.00 0.00 56.30 56.77 2jmr h ASN 157 Cb 1.17 0.00 -0.13 0.00 0.73 0.00 0.00 38.32 40.09 2jmr h ASN 157 CO 0.96 0.00 -0.19 1.41 -1.29 0.00 0.00 177.43 178.32 2jmr n HIS 158 N -3.06 0.21 -3.74 0.67 8.25 -1.26 -4.43 115.22 111.86 2jmr n HIS 158 Ca 0.00 0.85 -0.10 0.00 -0.26 0.00 0.00 57.72 58.22 2jmr n HIS 158 Cb 0.27 -0.88 -0.06 0.00 1.12 0.00 0.00 29.99 30.44 2jmr n HIS 158 CO 0.00 0.00 0.00 -1.58 0.64 0.00 0.00 176.34 175.40 2jmr s HIS 159 N -5.84 -0.03 -2.23 4.41 2.46 -1.26 -5.07 115.29 107.73 2jmr s HIS 159 Ca -0.10 -0.33 0.18 0.00 0.47 0.00 0.00 55.06 55.27 2jmr s HIS 159 Cb 0.18 0.14 0.17 0.00 -0.13 0.00 0.00 32.58 32.94 2jmr s HIS 159 CO 0.54 -0.67 1.10 1.58 -2.47 0.00 0.00 174.74 174.82 2jmr n HIS 160 N -0.18 0.05 -2.41 3.88 -0.00 -1.26 -4.93 115.22 110.37 2jmr n HIS 160 Ca -0.14 -0.03 -0.38 0.00 0.46 0.00 0.00 57.72 57.62 2jmr n HIS 160 Cb 0.63 -0.00 -0.03 0.00 -0.12 0.00 0.00 29.99 30.47 2jmr n HIS 160 CO 0.00 0.00 0.00 -1.01 0.46 0.00 0.00 176.34 175.79 2jmr s HIS 161 N -1.48 3.25 0.85 1.57 3.76 -1.26 -5.07 115.29 116.91 2jmr s HIS 161 Ca 0.22 1.61 -0.11 0.00 -0.15 0.00 0.00 55.06 56.63 2jmr s HIS 161 Cb 0.16 -3.30 0.10 0.00 1.11 0.00 0.00 32.58 30.65 2jmr s HIS 161 CO 0.23 -0.94 1.09 -3.38 -0.85 0.00 0.00 174.74 170.89 2jmr s HIS 162 N -1.42 2.44 0.17 1.40 -3.43 -1.26 -5.10 115.29 108.09 2jmr s HIS 162 Ca 0.54 1.31 -0.24 0.00 -0.80 0.00 0.00 55.06 55.87 2jmr s HIS 162 Cb -0.29 -3.13 0.07 0.00 -1.43 0.00 0.00 32.58 27.80 2jmr s HIS 162 CO 0.36 -2.17 0.97 -3.38 -2.00 0.00 0.00 174.74 168.52 2jmr s HIS 163 N -2.95 -0.08 1.00 0.38 -3.43 -1.26 -5.17 115.29 103.78 2jmr s HIS 163 Ca 0.63 -0.26 -0.12 0.00 -0.80 0.00 0.00 55.06 54.50 2jmr s HIS 163 Cb -0.17 0.66 0.19 0.00 -1.43 0.00 0.00 32.58 31.83 2jmr s HIS 163 CO 0.56 -0.88 1.08 -1.59 -2.00 0.00 0.00 174.74 171.92 2jmr s LYS 164 N -3.01 0.42 -0.08 -0.38 -2.85 -1.26 -4.87 119.74 107.71 2jmr s LYS 164 Ca 0.14 0.83 -0.01 0.00 -1.00 0.00 0.00 55.97 55.94 2jmr s LYS 164 Cb -0.02 -1.71 0.03 0.00 -2.06 0.00 0.00 37.83 34.07 2jmr s LYS 164 CO 0.03 -2.81 -0.03 -1.14 0.10 0.00 0.00 175.35 171.49 2jmr s GLN 165 N -4.78 0.97 0.00 1.78 -0.44 -1.26 -4.90 119.66 111.03 2jmr s GLN 165 Ca 0.66 -0.06 0.00 0.00 -2.50 0.00 0.00 55.36 53.46 2jmr s GLN 165 Cb -0.21 -1.16 0.00 0.00 -1.64 0.00 0.00 33.01 30.00 2jmr s GLN 165 CO 0.59 -0.25 0.00 0.00 0.50 0.00 0.00 175.29 176.14 2jmr n ALA 166 N 4.88 0.00 -3.87 1.58 0.00 -1.26 -2.25 120.51 119.58 2jmr n ALA 166 Ca -0.12 0.00 -0.32 0.00 0.00 0.00 0.00 53.44 53.00 2jmr n ALA 166 Cb 0.50 -1.05 0.01 0.00 0.00 0.00 0.00 19.45 18.91 2jmr n ALA 166 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 2jmr n ASP 167 N -0.17 -3.31 -4.58 0.00 5.75 -1.26 -4.86 116.55 108.13 2jmr n ASP 167 Ca 0.00 -0.95 -0.32 0.00 -0.01 0.00 0.00 54.79 53.51 2jmr n ASP 167 Cb 0.10 -1.22 -0.04 0.00 -1.03 0.00 0.00 41.12 38.92 2jmr n ASP 167 CO 0.00 0.00 0.00 -1.54 -0.11 0.00 0.00 177.20 175.55 2jmr n SER 168 N -1.57 3.59 -4.66 -1.12 3.41 -0.95 -4.21 113.62 108.11 2jmr n SER 168 Ca -0.13 -2.76 -0.45 0.00 -0.26 0.00 0.00 58.87 55.27 2jmr n SER 168 Cb 0.46 -1.74 -0.03 0.00 -0.26 0.00 0.00 64.21 62.64 2jmr n SER 168 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 175.04 175.29 2jmr n THR 169 N 7.41 1.10 -4.34 6.66 -1.04 -1.26 -1.93 114.28 120.87 2jmr n THR 169 Ca 0.46 -0.27 -0.34 0.00 -2.04 0.00 0.00 64.05 61.85 2jmr n THR 169 Cb 0.46 -1.39 -0.11 0.00 -1.82 0.00 0.00 70.33 67.47 2jmr n THR 169 CO 0.00 0.00 0.00 -0.51 -0.64 0.00 0.00 175.07 173.92 2jmr s ILE 170 N -0.22 4.17 -0.05 12.58 -1.16 -0.08 -3.53 121.20 132.90 2jmr s ILE 170 Ca 0.67 -0.28 -0.02 0.00 -0.51 0.00 0.00 60.65 60.52 2jmr s ILE 170 Cb -0.67 -2.80 0.03 0.00 0.61 0.00 0.00 42.46 39.64 2jmr s ILE 170 CO 0.52 0.53 0.09 -0.89 -2.81 0.00 0.00 174.94 172.38 2jmr s THR 171 N -0.14 -0.11 -0.12 4.00 2.01 -1.26 -2.69 115.64 117.33 2jmr s THR 171 Ca 0.04 0.30 -0.02 0.00 0.31 0.00 0.00 61.69 62.32 2jmr s THR 171 Cb -0.13 -0.17 0.04 0.00 0.01 0.00 0.00 72.50 72.25 2jmr s THR 171 CO 0.02 0.12 0.02 -0.63 -0.69 0.00 0.00 174.62 173.47 2jmr s ILE 172 N 1.65 0.37 0.28 1.82 1.01 -1.26 -0.74 121.20 124.33 2jmr s ILE 172 Ca -0.03 -0.12 0.07 0.00 0.00 0.00 0.00 60.65 60.57 2jmr s ILE 172 Cb -0.12 -0.69 -0.03 0.00 0.01 0.00 0.00 42.46 41.63 2jmr s ILE 172 CO -0.04 0.05 0.31 -0.13 0.00 0.00 0.00 174.94 175.13 2jmr s ARG 173 N 1.96 3.05 0.00 2.79 1.81 -0.93 -3.56 118.95 124.06 2jmr s ARG 173 Ca 0.03 -1.03 0.00 0.00 -1.72 0.00 0.00 55.73 53.01 2jmr s ARG 173 Cb -0.14 -2.67 0.00 0.00 -0.45 0.00 0.00 34.95 31.68 2jmr s ARG 173 CO -0.06 0.27 0.00 0.41 -0.68 0.00 0.00 175.30 175.24 2jmr n GLY 174 N -1.37 -1.20 3.22 -3.53 0.00 -0.89 -2.46 105.19 98.96 2jmr n GLY 174 Ca -0.05 -0.99 -0.12 0.00 0.00 0.00 0.00 46.02 44.85 2jmr n GLY 174 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 2jmr s TYR 175 N -3.00 1.14 -0.21 1.61 5.04 -1.26 -0.84 117.35 119.83 2jmr s TYR 175 Ca 0.00 -1.18 0.01 0.00 -2.44 0.00 0.00 57.07 53.46 2jmr s TYR 175 Cb 0.00 -0.64 0.03 0.00 0.35 0.00 0.00 41.96 41.71 2jmr s TYR 175 CO 0.00 -0.41 -0.16 0.08 -1.34 0.00 0.00 175.55 173.72 2jmr s VAL 176 N -3.89 2.17 -0.45 3.14 1.01 0.49 -2.17 120.40 120.69 2jmr s VAL 176 Ca 0.29 -1.16 -0.29 0.00 0.00 0.00 0.00 61.98 60.82 2jmr s VAL 176 Cb 0.07 -2.05 0.02 0.00 0.00 0.00 0.00 36.38 34.43 2jmr s VAL 176 CO 0.06 0.33 1.21 -0.13 0.00 0.00 0.00 175.10 176.57 2jmr s ARG 177 N 1.23 3.70 0.47 2.72 1.81 0.47 -3.50 118.95 125.86 2jmr s ARG 177 Ca 0.00 0.69 0.24 0.00 -1.72 0.00 0.00 55.73 54.94 2jmr s ARG 177 Cb -0.16 -3.93 1.26 0.00 -0.45 0.00 0.00 34.95 31.68 2jmr s ARG 177 CO -0.10 -1.41 1.87 0.38 -0.68 0.00 0.00 175.30 175.37 2jmr h ASP 178 N 9.54 0.22 0.00 0.23 3.04 -1.93 0.20 116.42 127.73 2jmr h ASP 178 Ca -0.24 0.03 0.00 0.00 -3.24 0.00 0.00 57.03 53.58 2jmr h ASP 178 Cb 1.07 -0.02 0.00 0.00 -1.04 0.00 0.00 39.33 39.35 2jmr h ASP 178 CO 1.11 0.08 0.00 -3.20 -2.04 0.00 0.00 179.24 175.20