#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jmr n ALA 2 N 0.00 -0.12 0.13 3.04 0.00 -1.26 -4.87 120.51 117.44 2jmr n ALA 2 Ca 0.00 0.13 0.01 0.00 0.00 0.00 0.00 53.44 53.58 2jmr n ALA 2 Cb 0.00 -1.61 0.05 0.00 0.00 0.00 0.00 19.45 17.88 2jmr n ALA 2 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 2jmr n ASP 3 N -1.00 0.00 -4.43 0.00 9.92 -1.26 -4.73 116.55 115.05 2jmr n ASP 3 Ca -0.08 -0.09 -0.31 0.00 -0.53 0.00 0.00 54.79 53.78 2jmr n ASP 3 Cb 0.53 0.00 0.18 0.00 -0.64 0.00 0.00 41.12 41.19 2jmr n ASP 3 CO 0.00 0.00 0.00 -1.20 0.13 0.00 0.00 177.20 176.13 2jmr n SER 4 N -0.86 -1.67 -4.61 -2.24 7.64 -1.26 -4.92 113.62 105.70 2jmr n SER 4 Ca 0.01 0.10 -0.54 0.00 1.01 0.00 0.00 58.87 59.45 2jmr n SER 4 Cb 0.01 -1.19 -0.06 0.00 -1.01 0.00 0.00 64.21 61.95 2jmr n SER 4 CO 0.00 0.00 0.00 0.41 -3.01 0.00 0.00 175.04 172.44 2jmr n THR 5 N -4.28 0.06 -4.15 0.44 -1.04 -1.26 -4.99 114.28 99.05 2jmr n THR 5 Ca 0.05 -0.01 -0.11 0.00 -2.04 0.00 0.00 64.05 61.94 2jmr n THR 5 Cb 0.56 -0.83 -0.09 0.00 -1.82 0.00 0.00 70.33 68.15 2jmr n THR 5 CO 0.00 0.00 0.00 -0.51 -0.64 0.00 0.00 175.07 173.92 2jmr s ILE 6 N 1.05 0.01 -0.47 12.58 1.10 -1.26 -5.09 121.20 129.11 2jmr s ILE 6 Ca 0.88 -1.86 -0.27 0.00 -0.51 0.00 0.00 60.65 58.89 2jmr s ILE 6 Cb -1.01 -2.40 -0.03 0.00 0.15 0.00 0.00 42.46 39.17 2jmr s ILE 6 CO 0.52 -0.03 2.00 -0.89 -2.11 0.00 0.00 174.94 174.42 2jmr s THR 7 N -4.12 3.28 -0.02 4.00 2.01 -1.26 -4.91 115.64 114.63 2jmr s THR 7 Ca 0.34 0.22 -0.03 0.00 0.31 0.00 0.00 61.69 62.54 2jmr s THR 7 Cb 0.05 -3.57 0.00 0.00 0.01 0.00 0.00 72.50 68.99 2jmr s THR 7 CO 0.11 -0.49 0.06 -0.63 -0.69 0.00 0.00 174.62 172.98 2jmr s ILE 8 N 9.11 0.02 -0.93 1.82 -1.09 -1.26 -4.60 121.20 124.27 2jmr s ILE 8 Ca 0.80 -0.19 0.20 0.00 -2.23 0.00 0.00 60.65 59.24 2jmr s ILE 8 Cb -0.18 -0.16 0.18 0.00 -1.58 0.00 0.00 42.46 40.72 2jmr s ILE 8 CO 0.27 -0.10 1.64 -2.11 -1.23 0.00 0.00 174.94 173.40 2jmr n ARG 9 N 2.69 0.04 0.00 2.79 1.85 -1.26 -4.89 116.66 117.88 2jmr n ARG 9 Ca -0.15 0.20 0.00 0.00 -1.00 0.00 0.00 57.85 56.90 2jmr n ARG 9 Cb 0.59 -1.56 0.00 0.00 -1.05 0.00 0.00 32.46 30.44 2jmr n ARG 9 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 2jmr n GLY 10 N 0.50 -1.02 2.75 2.89 0.00 -1.26 -5.09 105.19 103.96 2jmr n GLY 10 Ca 0.04 0.68 -0.18 0.00 0.00 0.00 0.00 46.02 46.57 2jmr n GLY 10 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 2jmr s TYR 11 N 1.97 -0.37 0.59 1.61 6.14 -1.26 -5.13 117.35 120.90 2jmr s TYR 11 Ca 0.00 -0.09 -0.09 0.00 0.64 0.00 0.00 57.07 57.53 2jmr s TYR 11 Cb 0.00 -0.45 0.13 0.00 0.42 0.00 0.00 41.96 42.06 2jmr s TYR 11 CO 0.00 -0.83 0.81 0.28 0.64 0.00 0.00 175.55 176.45 2jmr n VAL 12 N 5.31 0.00 0.24 3.14 0.31 -1.26 -4.97 118.33 121.10 2jmr n VAL 12 Ca -0.03 -0.69 0.11 0.00 -0.01 0.00 0.00 64.34 63.71 2jmr n VAL 12 Cb 0.47 -1.57 0.59 0.00 -0.91 0.00 0.00 33.84 32.41 2jmr n VAL 12 CO 0.00 0.00 0.00 -0.09 -1.32 0.00 0.00 176.83 175.42 2jmr h ARG 13 N 0.00 0.00 -0.35 5.55 1.12 -2.01 -3.46 114.38 115.23 2jmr h ARG 13 Ca -0.26 0.00 -0.15 0.00 -1.11 0.00 0.00 59.98 58.46 2jmr h ARG 13 Cb 0.76 0.00 -0.06 0.00 -0.01 0.00 0.00 29.97 30.66 2jmr h ARG 13 CO 0.20 0.19 -0.14 -0.25 -3.11 0.00 0.00 179.97 176.86 2jmr n ASP 14 N -3.59 -5.38 -0.39 -3.80 9.92 -1.26 -4.77 116.55 107.28 2jmr n ASP 14 Ca -0.01 0.18 0.05 0.00 -0.53 0.00 0.00 54.79 54.48 2jmr n ASP 14 Cb 0.33 -3.53 0.04 0.00 -0.64 0.00 0.00 41.12 37.32 2jmr n ASP 14 CO 0.00 0.00 0.00 -0.46 0.13 0.00 0.00 177.20 176.87 2jmr n ASN 15 N -0.86 1.83 -3.58 -2.24 2.04 -1.26 -2.03 115.26 109.15 2jmr n ASN 15 Ca -0.07 -1.42 -0.16 0.00 -0.44 0.00 0.00 54.58 52.49 2jmr n ASN 15 Cb 0.49 -0.01 -0.07 0.00 -2.53 0.00 0.00 39.78 37.67 2jmr n ASN 15 CO 0.00 0.00 0.00 -0.83 -0.44 0.00 0.00 177.26 175.99 2jmr s GLY 16 N -0.80 -0.53 0.85 4.83 0.00 -1.26 -4.57 107.32 105.84 2jmr s GLY 16 Ca 0.11 1.53 -0.13 0.00 0.00 0.00 0.00 44.72 46.24 2jmr s GLY 16 CO 0.12 1.22 1.21 0.00 0.00 0.00 0.00 173.10 175.64 2jmr h SER 18 N -1.19 0.00 -4.03 0.00 0.87 -1.23 -3.49 113.55 104.48 2jmr h SER 18 Ca -0.45 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.11 2jmr h SER 18 Cb 1.30 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.26 2jmr h SER 18 CO 0.58 0.47 -0.65 0.52 -0.53 0.00 0.00 176.83 177.22 2jmr n VAL 19 N -3.12 -8.63 -2.70 2.23 0.31 -1.22 -4.95 118.33 100.24 2jmr n VAL 19 Ca -0.01 2.23 -0.30 0.00 -0.01 0.00 0.00 64.34 66.25 2jmr n VAL 19 Cb 0.74 -4.03 -0.02 0.00 -0.91 0.00 0.00 33.84 29.62 2jmr n VAL 19 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2jmr s ALA 20 N -0.66 3.31 0.54 3.52 0.00 -0.53 -4.57 121.76 123.36 2jmr s ALA 20 Ca 0.00 -0.19 0.40 0.00 0.00 0.00 0.00 51.96 52.17 2jmr s ALA 20 Cb 0.00 -2.76 2.18 0.00 0.00 0.00 0.00 23.12 22.54 2jmr s ALA 20 CO 0.00 -0.13 2.22 0.00 0.00 0.00 0.00 175.76 177.85 2jmr h ALA 21 N 0.96 1.03 -0.00 0.00 0.00 -1.85 0.27 119.26 119.67 2jmr h ALA 21 Ca -0.47 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.44 2jmr h ALA 21 Cb 1.19 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.98 2jmr h ALA 21 CO 0.63 -0.03 0.07 0.93 0.00 0.00 0.00 179.25 180.85 2jmr h GLU 22 N 0.00 0.00 0.00 0.00 4.39 -1.93 -3.31 114.58 113.73 2jmr h GLU 22 Ca 0.00 0.00 -0.00 0.00 0.34 0.00 0.00 59.36 59.70 2jmr h GLU 22 Cb 0.07 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 28.72 2jmr h GLU 22 CO 0.00 0.00 -0.23 0.43 -1.16 0.00 0.00 179.01 178.05 2jmr n SER 23 N -3.04 1.22 -4.58 1.42 7.64 0.78 -4.73 113.62 112.33 2jmr n SER 23 Ca -0.03 0.17 -0.41 0.00 1.01 0.00 0.00 58.87 59.61 2jmr n SER 23 Cb 0.13 -0.40 -0.03 0.00 -1.01 0.00 0.00 64.21 62.90 2jmr n SER 23 CO 0.00 0.00 0.00 0.42 -3.01 0.00 0.00 175.04 172.45 2jmr s THR 24 N -2.16 3.04 -0.73 0.44 -4.23 -0.23 -2.69 115.64 109.08 2jmr s THR 24 Ca -0.05 0.03 -0.04 0.00 -1.18 0.00 0.00 61.69 60.45 2jmr s THR 24 Cb 0.01 -3.06 -0.05 0.00 1.34 0.00 0.00 72.50 70.74 2jmr s THR 24 CO 0.08 -0.05 0.64 0.59 -0.54 0.00 0.00 174.62 175.34 2jmr n ASN 25 N 13.12 -5.22 -1.18 3.99 5.03 -1.26 -4.42 115.26 125.32 2jmr n ASN 25 Ca 0.32 -0.49 0.00 0.00 0.87 0.00 0.00 54.58 55.27 2jmr n ASN 25 Cb 0.49 -3.77 0.00 0.00 -1.02 0.00 0.00 39.78 35.48 2jmr n ASN 25 CO 0.00 0.00 0.00 2.22 -1.83 0.00 0.00 177.26 177.65 2jmr n PHE 26 N -2.70 -0.81 -4.06 3.10 -1.74 -1.09 -4.97 117.46 105.20 2jmr n PHE 26 Ca -0.05 0.00 -0.08 0.00 -0.56 0.00 0.00 57.45 56.77 2jmr n PHE 26 Cb 0.58 0.00 -0.10 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 0.54 0.19 -0.16 1.97 2.01 -1.26 -4.54 115.64 114.39 2jmr s THR 27 Ca 0.00 -1.60 0.01 0.00 0.31 0.00 0.00 61.69 60.41 2jmr s THR 27 Cb 0.00 -1.26 0.02 0.00 0.01 0.00 0.00 72.50 71.27 2jmr s THR 27 CO 0.00 -0.88 -0.18 -0.69 -0.69 0.00 0.00 174.62 172.18 2jmr s VAL 28 N -3.41 1.84 -0.14 3.82 1.01 -0.91 -5.00 120.40 117.61 2jmr s VAL 28 Ca 0.02 -0.81 -0.29 0.00 0.00 0.00 0.00 61.98 60.89 2jmr s VAL 28 Cb 0.04 -1.68 -0.01 0.00 0.00 0.00 0.00 36.38 34.74 2jmr s VAL 28 CO -0.08 0.50 1.04 -0.62 0.00 0.00 0.00 175.10 175.95 2jmr s ASP 29 N 1.26 7.18 0.00 3.32 2.15 -1.26 -0.95 116.67 128.37 2jmr s ASP 29 Ca 0.02 1.52 0.21 0.00 0.43 0.00 0.00 52.55 54.73 2jmr s ASP 29 Cb -0.13 -2.55 0.57 0.00 -0.30 0.00 0.00 42.92 40.50 2jmr s ASP 29 CO -0.09 -0.53 1.48 -0.11 -0.17 0.00 0.00 175.17 175.74 2jmr n LEU 30 N 5.46 3.47 0.00 -1.34 7.94 0.24 -4.94 117.00 127.83 2jmr n LEU 30 Ca 0.10 -1.69 0.00 0.00 -1.11 0.00 0.00 56.01 53.31 2jmr n LEU 30 Cb 0.48 -0.40 0.00 0.00 0.53 0.00 0.00 43.42 44.02 2jmr n LEU 30 CO 0.52 0.85 0.00 0.23 -1.11 0.00 0.00 177.39 177.88 2jmr n MET 31 N 1.41 0.00 -3.93 1.96 2.81 -1.26 -4.72 117.12 113.40 2jmr n MET 31 Ca 0.22 0.00 -0.30 0.00 -1.81 0.00 0.00 57.70 55.80 2jmr n MET 31 Cb 0.56 0.00 -0.15 0.00 -0.71 0.00 0.00 33.22 32.92 2jmr n MET 31 CO 0.00 0.00 0.00 -1.21 1.51 0.00 0.00 175.97 176.27 2jmr s GLU 32 N 0.00 1.39 0.40 0.03 2.02 -1.26 -3.75 118.70 117.52 2jmr s GLU 32 Ca 0.00 -1.85 -0.10 0.00 0.02 0.00 0.00 54.97 53.05 2jmr s GLU 32 Cb 0.00 -2.91 -0.06 0.00 0.10 0.00 0.00 34.13 31.26 2jmr s GLU 32 CO 0.00 -0.99 0.75 -0.80 0.02 0.00 0.00 175.26 174.24 2jmr s ASN 33 N 0.81 6.50 0.54 -0.19 0.01 -0.92 -4.88 114.94 116.81 2jmr s ASN 33 Ca 0.12 1.08 -0.16 0.00 -0.71 0.00 0.00 52.86 53.19 2jmr s ASN 33 Cb -0.20 -2.30 -0.06 0.00 0.41 0.00 0.00 41.25 39.09 2jmr s ASN 33 CO -0.10 -0.39 1.01 0.00 -1.51 0.00 0.00 177.10 176.11 2jmr s ALA 34 N -2.37 2.95 0.15 0.60 0.00 -1.26 -0.34 121.76 121.48 2jmr s ALA 34 Ca 0.50 0.26 -0.13 0.00 0.00 0.00 0.00 51.96 52.60 2jmr s ALA 34 Cb -0.10 -3.16 0.03 0.00 0.00 0.00 0.00 23.12 19.89 2jmr s ALA 34 CO 0.32 -0.43 1.66 0.00 0.00 0.00 0.00 175.76 177.31 2jmr h ALA 35 N 0.77 0.66 0.00 0.00 0.00 -0.43 -3.37 119.26 116.90 2jmr h ALA 35 Ca -0.47 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 54.23 2jmr h ALA 35 Cb 1.20 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 18.80 2jmr h ALA 35 CO 0.60 0.35 0.00 1.63 0.00 0.00 0.00 179.25 181.83 2jmr n LYS 36 N -4.46 0.20 0.18 0.00 5.02 -1.26 -2.23 118.16 115.61 2jmr n LYS 36 Ca 0.01 0.23 0.14 0.00 -2.02 0.00 0.00 58.31 56.67 2jmr n LYS 36 Cb 0.22 -1.76 0.49 0.00 -0.02 0.00 0.00 35.03 33.96 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 -3.39 1.97 3.07 -1.97 -3.37 115.11 111.43 2jmr h GLN 37 Ca 0.00 0.00 -0.75 0.00 0.09 0.00 0.00 58.65 57.99 2jmr h GLN 37 Cb 0.60 0.00 -0.14 0.00 0.08 0.00 0.00 27.48 28.02 2jmr h GLN 37 CO 0.00 0.00 2.14 1.19 0.09 0.00 0.00 178.83 182.25 2jmr n PHE 38 N -2.62 2.89 -1.49 0.06 3.72 -0.95 -4.62 117.46 114.46 2jmr n PHE 38 Ca 0.03 -2.80 0.00 0.00 -0.05 0.00 0.00 57.45 54.63 2jmr n PHE 38 Cb 0.33 -1.96 0.20 0.00 -0.94 0.00 0.00 39.48 37.12 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 3.64 2.19 0.00 4.37 6.94 -1.26 -4.35 115.26 126.79 2jmr n ASN 39 Ca 0.43 -3.80 0.00 0.00 -0.02 0.00 0.00 54.58 51.20 2jmr n ASN 39 Cb 0.35 -0.59 0.00 0.00 -2.36 0.00 0.00 39.78 37.18 2jmr n ASN 39 CO 0.00 0.00 0.00 -0.46 -1.03 0.00 0.00 177.26 175.77 2jmr n ASN 40 N -1.12 0.00 0.00 0.53 2.04 -1.26 -4.96 115.26 110.49 2jmr n ASN 40 Ca 0.27 0.00 0.07 0.00 -0.44 0.00 0.00 54.58 54.48 2jmr n ASN 40 Cb 0.88 0.00 0.34 0.00 -2.53 0.00 0.00 39.78 38.47 2jmr n ASN 40 CO 0.00 0.00 0.00 -0.38 -0.44 0.00 0.00 177.26 176.44 2jmr n ILE 41 N -0.59 0.81 1.32 1.53 -0.00 -1.26 -1.32 119.36 119.85 2jmr n ILE 41 Ca 0.00 0.20 0.13 0.00 -0.00 0.00 0.00 62.75 63.09 2jmr n ILE 41 Cb 0.00 -0.96 0.39 0.00 -0.00 0.00 0.00 39.64 39.07 2jmr n ILE 41 CO 0.00 0.00 0.00 0.61 -0.00 0.00 0.00 176.55 177.16 2jmr n GLY 42 N -0.03 -0.06 3.55 7.39 0.00 -1.26 -4.69 105.19 110.10 2jmr n GLY 42 Ca 0.05 -0.48 -0.35 0.00 0.00 0.00 0.00 46.02 45.24 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 -2.19 1.90 -0.30 4.61 0.00 -0.43 -4.90 121.76 120.45 2jmr s ALA 43 Ca 0.31 -0.59 0.03 0.00 0.00 0.00 0.00 51.96 51.70 2jmr s ALA 43 Cb 0.20 -4.36 0.08 0.00 0.00 0.00 0.00 23.12 19.04 2jmr s ALA 43 CO 0.40 -4.25 -0.02 0.99 0.00 0.00 0.00 175.76 172.89 2jmr s THR 44 N 10.25 2.34 1.08 0.00 2.01 -1.26 -2.35 115.64 127.71 2jmr s THR 44 Ca 0.76 -1.92 -0.13 0.00 0.31 0.00 0.00 61.69 60.72 2jmr s THR 44 Cb -0.13 -2.53 0.23 0.00 0.01 0.00 0.00 72.50 70.09 2jmr s THR 44 CO 0.19 -0.29 1.06 0.42 -0.69 0.00 0.00 174.62 175.31 2jmr s THR 45 N 1.04 2.05 -0.57 -0.82 -4.23 -1.25 -4.88 115.64 106.97 2jmr s THR 45 Ca 0.00 0.01 -0.27 0.00 -1.18 0.00 0.00 61.69 60.26 2jmr s THR 45 Cb -0.20 -2.31 -0.03 0.00 1.34 0.00 0.00 72.50 71.30 2jmr s THR 45 CO -0.06 -0.02 1.95 -2.16 -0.54 0.00 0.00 174.62 173.79 2jmr s PRO 46 N -4.74 2.60 -0.24 3.99 0.04 -1.26 -4.87 135.00 130.51 2jmr s PRO 46 Ca 0.67 0.82 -0.35 0.00 0.04 0.00 0.00 61.00 62.17 2jmr s PRO 46 Cb -0.21 -4.41 -0.12 0.00 0.04 0.00 0.00 34.50 29.80 2jmr s PRO 46 CO 0.61 -2.75 2.01 1.33 0.04 0.00 0.00 177.00 178.24 2jmr n VAL 47 N 7.36 0.36 -2.52 -0.36 0.24 -1.26 -4.93 118.33 117.22 2jmr n VAL 47 Ca 0.23 -0.19 -0.39 0.00 -2.04 0.00 0.00 64.34 61.95 2jmr n VAL 47 Cb 0.52 -1.73 -0.04 0.00 -1.47 0.00 0.00 33.84 31.11 2jmr n VAL 47 CO 0.00 0.00 0.00 0.54 -2.14 0.00 0.00 176.83 175.23 2jmr s VAL 48 N 5.65 3.61 0.18 3.34 0.11 0.08 -4.82 120.40 128.56 2jmr s VAL 48 Ca 1.01 1.52 -0.30 0.00 -2.93 0.00 0.00 61.98 61.28 2jmr s VAL 48 Cb -0.79 -3.93 -0.09 0.00 -1.53 0.00 0.00 36.38 30.04 2jmr s VAL 48 CO 0.52 0.29 1.32 -2.16 -3.33 0.00 0.00 175.10 171.74 2jmr s PRO 49 N -1.68 4.37 -0.21 1.54 0.04 -1.26 -1.50 135.00 136.30 2jmr s PRO 49 Ca 0.47 2.05 -0.14 0.00 0.04 0.00 0.00 61.00 63.43 2jmr s PRO 49 Cb -0.29 -3.21 0.06 0.00 0.04 0.00 0.00 34.50 31.11 2jmr s PRO 49 CO 0.37 -0.29 0.52 0.12 0.04 0.00 0.00 177.00 177.76 2jmr s PHE 50 N 0.32 -0.73 0.27 0.56 5.36 -1.24 -4.87 117.98 117.65 2jmr s PHE 50 Ca 0.58 1.56 0.11 0.00 -0.96 0.00 0.00 56.93 58.22 2jmr s PHE 50 Cb -0.36 0.35 -0.05 0.00 -0.34 0.00 0.00 43.02 42.62 2jmr s PHE 50 CO 0.37 -0.38 -0.19 -0.98 -1.46 0.00 0.00 175.22 172.58 2jmr s ARG 51 N 1.16 1.62 -0.18 10.12 1.04 -1.26 -2.65 118.95 128.80 2jmr s ARG 51 Ca -0.07 -1.74 -0.25 0.00 -1.04 0.00 0.00 55.73 52.62 2jmr s ARG 51 Cb -0.06 -1.66 -0.01 0.00 -2.04 0.00 0.00 34.95 31.17 2jmr s ARG 51 CO -0.11 0.30 0.84 0.42 -0.04 0.00 0.00 175.30 176.72 2jmr s ILE 52 N -2.59 4.86 -0.21 4.99 -1.09 -0.98 -4.90 121.20 121.29 2jmr s ILE 52 Ca 0.29 1.64 -0.10 0.00 -2.23 0.00 0.00 60.65 60.25 2jmr s ILE 52 Cb -0.04 -4.14 -0.05 0.00 -1.58 0.00 0.00 42.46 36.65 2jmr s ILE 52 CO 0.14 -0.00 0.14 -0.22 -1.23 0.00 0.00 174.94 173.76 2jmr s LEU 53 N 2.32 4.18 -0.25 2.97 0.20 -1.26 -0.73 118.68 126.10 2jmr s LEU 53 Ca 0.38 0.20 -0.00 0.00 0.69 0.00 0.00 54.13 55.39 2jmr s LEU 53 Cb -0.16 -2.09 0.04 0.00 -0.43 0.00 0.00 46.19 43.54 2jmr s LEU 53 CO 0.11 0.15 -0.09 -0.76 -0.29 0.00 0.00 176.35 175.48 2jmr s LEU 54 N 0.53 3.16 0.21 -0.68 2.01 -0.36 -2.83 118.68 120.73 2jmr s LEU 54 Ca 0.08 -1.00 -0.22 0.00 0.01 0.00 0.00 54.13 52.99 2jmr s LEU 54 Cb -0.12 -1.62 0.05 0.00 0.01 0.00 0.00 46.19 44.51 2jmr s LEU 54 CO -0.00 -0.14 0.70 -0.55 1.01 0.00 0.00 176.35 177.37 2jmr s SER 55 N 1.26 -0.38 0.93 2.29 0.15 -1.26 -1.21 113.70 115.48 2jmr s SER 55 Ca -0.02 -0.33 -0.11 0.00 0.70 0.00 0.00 55.95 56.19 2jmr s SER 55 Cb -0.17 0.65 0.11 0.00 -1.71 0.00 0.00 66.02 64.90 2jmr s SER 55 CO -0.05 -1.14 0.89 -0.81 1.20 0.00 0.00 173.24 173.32 2jmr n PRO 56 N -0.42 -0.43 -4.09 5.44 -0.04 -1.26 -1.46 135.00 132.74 2jmr n PRO 56 Ca -0.09 -0.07 -0.11 0.00 -0.04 0.00 0.00 63.50 63.19 2jmr n PRO 56 Cb 0.62 -2.19 -0.07 0.00 -0.04 0.00 0.00 33.50 31.81 2jmr n PRO 56 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2jmr n GLY 58 N -0.36 4.23 0.10 0.00 0.00 -1.26 -3.73 105.19 104.17 2jmr n GLY 58 Ca 0.00 -2.13 -0.11 0.00 0.00 0.00 0.00 46.02 43.78 2jmr n GLY 58 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 2jmr n ASN 59 N -1.11 0.78 -1.52 1.61 5.15 -1.13 -2.05 115.26 117.00 2jmr n ASN 59 Ca 0.00 0.22 -0.01 0.00 -0.60 0.00 0.00 54.58 54.19 2jmr n ASN 59 Cb 0.00 0.18 0.00 0.00 -0.53 0.00 0.00 39.78 39.44 2jmr n ASN 59 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 2jmr n ALA 60 N -2.71 4.05 -2.67 5.20 0.00 -0.86 -4.71 120.51 118.81 2jmr n ALA 60 Ca -0.26 -0.12 -0.19 0.00 0.00 0.00 0.00 53.44 52.87 2jmr n ALA 60 Cb 1.08 -1.03 -0.13 0.00 0.00 0.00 0.00 19.45 19.38 2jmr n ALA 60 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.50 177.64 2jmr s VAL 61 N -0.17 1.09 0.00 0.00 -7.23 -1.26 -4.70 120.40 108.12 2jmr s VAL 61 Ca 0.02 -1.07 0.00 0.00 -1.81 0.00 0.00 61.98 59.13 2jmr s VAL 61 Cb 0.02 -1.01 0.00 0.00 0.56 0.00 0.00 36.38 35.95 2jmr s VAL 61 CO -0.00 -0.06 0.00 -1.20 -0.31 0.00 0.00 175.10 173.53 2jmr n SER 62 N 1.75 0.01 -3.64 4.85 7.64 -1.26 -4.57 113.62 118.39 2jmr n SER 62 Ca -0.19 0.00 -0.05 0.00 1.01 0.00 0.00 58.87 59.64 2jmr n SER 62 Cb 0.55 0.00 -0.07 0.00 -1.01 0.00 0.00 64.21 63.68 2jmr n SER 62 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2jmr s ALA 63 N -1.99 -2.15 0.00 -0.43 0.00 -1.26 -1.31 121.76 114.62 2jmr s ALA 63 Ca 0.00 1.83 0.00 0.00 0.00 0.00 0.00 51.96 53.79 2jmr s ALA 63 Cb 0.00 -1.64 0.00 0.00 0.00 0.00 0.00 23.12 21.48 2jmr s ALA 63 CO 0.00 -0.19 0.00 1.33 0.00 0.00 0.00 175.76 176.90 2jmr n VAL 64 N 2.13 0.00 -4.23 0.00 0.24 -1.26 -4.58 118.33 110.62 2jmr n VAL 64 Ca -0.12 0.00 -0.24 0.00 -2.04 0.00 0.00 64.34 61.94 2jmr n VAL 64 Cb 0.56 0.00 -0.07 0.00 -1.47 0.00 0.00 33.84 32.86 2jmr n VAL 64 CO 0.00 0.00 0.00 -0.54 -2.14 0.00 0.00 176.83 174.15 2jmr s LYS 65 N -0.40 2.44 -0.33 7.34 -0.14 -0.61 -3.72 119.74 124.31 2jmr s LYS 65 Ca 0.00 -1.24 0.06 0.00 -1.36 0.00 0.00 55.97 53.43 2jmr s LYS 65 Cb 0.00 -2.30 0.19 0.00 -1.68 0.00 0.00 37.83 34.04 2jmr s LYS 65 CO 0.00 0.41 0.63 0.54 -0.76 0.00 0.00 175.35 176.16 2jmr s VAL 66 N -2.06 -0.96 -0.19 3.17 0.11 -1.24 -1.43 120.40 117.80 2jmr s VAL 66 Ca 0.30 0.00 0.01 0.00 -2.93 0.00 0.00 61.98 59.36 2jmr s VAL 66 Cb -0.08 -0.62 0.02 0.00 -1.53 0.00 0.00 36.38 34.18 2jmr s VAL 66 CO 0.20 0.00 -0.18 -0.83 -3.33 0.00 0.00 175.10 170.96 2jmr s GLY 67 N 2.49 1.44 -0.26 6.54 0.00 -0.41 -4.73 107.32 112.39 2jmr s GLY 67 Ca 0.13 -1.29 -0.22 0.00 0.00 0.00 0.00 44.72 43.34 2jmr s GLY 67 CO -0.19 0.33 0.70 -1.36 0.00 0.00 0.00 173.10 172.58 2jmr s PHE 68 N 1.28 3.28 0.00 1.90 0.08 -1.26 -0.53 117.98 122.73 2jmr s PHE 68 Ca 0.03 0.90 0.03 0.00 0.12 0.00 0.00 56.93 58.01 2jmr s PHE 68 Cb -0.14 -2.94 -0.01 0.00 -0.57 0.00 0.00 43.02 39.36 2jmr s PHE 68 CO -0.11 -0.37 -0.10 0.95 -0.10 0.00 0.00 175.22 175.48 2jmr s THR 69 N 2.64 0.80 0.00 0.64 -4.23 -0.81 -2.54 115.64 112.13 2jmr s THR 69 Ca 0.29 -0.52 0.00 0.00 -1.18 0.00 0.00 61.69 60.28 2jmr s THR 69 Cb -0.15 -0.69 0.00 0.00 1.34 0.00 0.00 72.50 73.00 2jmr s THR 69 CO 0.09 0.16 0.00 0.61 -0.54 0.00 0.00 174.62 174.93 2jmr n GLY 70 N 2.65 -0.13 2.77 3.99 0.00 -1.26 -1.39 105.19 111.82 2jmr n GLY 70 Ca -0.15 0.51 -0.15 0.00 0.00 0.00 0.00 46.02 46.24 2jmr n GLY 70 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2jmr s VAL 71 N 1.45 -0.04 0.18 1.61 1.01 -1.26 -4.97 120.40 118.38 2jmr s VAL 71 Ca 0.00 0.21 -0.30 0.00 0.00 0.00 0.00 61.98 61.89 2jmr s VAL 71 Cb 0.00 -0.10 -0.08 0.00 0.00 0.00 0.00 36.38 36.21 2jmr s VAL 71 CO 0.00 0.10 0.97 0.00 0.00 0.00 0.00 175.10 176.17 2jmr s ALA 72 N 1.10 3.30 0.83 5.51 0.00 -1.26 -1.05 121.76 130.19 2jmr s ALA 72 Ca -0.09 0.63 -0.11 0.00 0.00 0.00 0.00 51.96 52.40 2jmr s ALA 72 Cb -0.13 -3.26 0.09 0.00 0.00 0.00 0.00 23.12 19.82 2jmr s ALA 72 CO -0.03 0.05 1.10 0.34 0.00 0.00 0.00 175.76 177.23 2jmr s ASP 73 N -0.57 3.96 0.34 0.00 2.15 -0.38 -4.54 116.67 117.63 2jmr s ASP 73 Ca 0.44 1.86 0.23 0.00 0.43 0.00 0.00 52.55 55.52 2jmr s ASP 73 Cb -0.25 -2.49 0.33 0.00 -0.30 0.00 0.00 42.92 40.21 2jmr s ASP 73 CO 0.32 -2.39 1.50 -1.28 -0.17 0.00 0.00 175.17 173.14 2jmr h SER 74 N -1.38 0.00 0.00 -0.34 0.87 -1.96 -3.28 113.55 107.47 2jmr h SER 74 Ca -0.44 -0.01 0.00 0.00 -1.23 0.00 0.00 61.79 60.10 2jmr h SER 74 Cb 1.25 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.21 2jmr h SER 74 CO 0.49 0.01 0.00 1.41 -0.53 0.00 0.00 176.83 178.21 2jmr n HIS 75 N -2.85 0.00 -2.87 2.24 8.25 -1.26 -4.76 115.22 113.98 2jmr n HIS 75 Ca 0.03 0.00 -0.43 0.00 -0.26 0.00 0.00 57.72 57.06 2jmr n HIS 75 Cb 0.52 0.00 -0.03 0.00 1.12 0.00 0.00 29.99 31.59 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 -1.00 6.29 0.00 0.41 0.02 -1.26 -4.87 114.94 114.53 2jmr s ASN 76 Ca 0.00 -1.27 0.09 0.00 -1.02 0.00 0.00 52.86 50.66 2jmr s ASN 76 Cb 0.00 -2.42 0.55 0.00 0.02 0.00 0.00 41.25 39.40 2jmr s ASN 76 CO 0.00 -1.35 1.05 0.00 0.02 0.00 0.00 177.10 176.82 2jmr n ALA 77 N 7.43 1.80 0.17 0.60 0.00 -1.24 -1.32 120.51 127.96 2jmr n ALA 77 Ca 0.04 -0.06 0.03 0.00 0.00 0.00 0.00 53.44 53.46 2jmr n ALA 77 Cb 0.46 -1.15 0.28 0.00 0.00 0.00 0.00 19.45 19.04 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 0.00 -2.81 0.00 4.21 -1.89 -3.40 115.58 111.68 2jmr h ASN 78 Ca 0.00 0.00 -0.59 0.00 1.21 0.00 0.00 56.30 56.92 2jmr h ASN 78 Cb 0.02 0.00 -0.03 0.00 -1.12 0.00 0.00 38.32 37.18 2jmr h ASN 78 CO 0.00 0.45 -0.46 -0.76 -1.29 0.00 0.00 177.43 175.37 2jmr s LEU 79 N -7.29 4.34 -0.02 1.61 2.01 -0.43 -4.21 118.68 114.68 2jmr s LEU 79 Ca -0.00 0.27 -0.30 0.00 0.01 0.00 0.00 54.13 54.11 2jmr s LEU 79 Cb 0.12 -2.99 -0.03 0.00 0.01 0.00 0.00 46.19 43.30 2jmr s LEU 79 CO 0.71 0.11 1.10 -0.22 1.01 0.00 0.00 176.35 179.06 2jmr s LEU 80 N -2.80 4.32 0.75 1.79 2.96 -0.10 -1.25 118.68 124.35 2jmr s LEU 80 Ca 0.36 1.75 -0.15 0.00 -0.22 0.00 0.00 54.13 55.87 2jmr s LEU 80 Cb -0.12 -3.57 0.05 0.00 0.50 0.00 0.00 46.19 43.05 2jmr s LEU 80 CO 0.28 -0.44 1.21 0.00 -1.32 0.00 0.00 176.35 176.08 2jmr s ALA 81 N 1.57 2.06 0.69 5.97 0.00 -0.21 -0.76 121.76 131.07 2jmr s ALA 81 Ca 0.54 0.86 0.00 0.00 0.00 0.00 0.00 51.96 53.36 2jmr s ALA 81 Cb -0.23 -3.47 0.00 0.00 0.00 0.00 0.00 23.12 19.41 2jmr s ALA 81 CO 0.24 -1.97 0.00 1.28 0.00 0.00 0.00 175.76 175.31 2jmr n LEU 82 N -2.86 0.00 0.11 0.00 4.32 -1.26 -4.63 117.00 112.68 2jmr n LEU 82 Ca 0.13 0.00 0.06 0.00 -0.02 0.00 0.00 56.01 56.18 2jmr n LEU 82 Cb 0.50 0.00 0.30 0.00 -1.62 0.00 0.00 43.42 42.60 2jmr n LEU 82 CO 0.48 0.00 0.71 -1.84 -1.22 0.00 0.00 177.39 175.52 2jmr n GLU 83 N 0.00 0.07 -3.70 3.23 0.28 0.70 -4.81 120.64 116.41 2jmr n GLU 83 Ca 0.00 0.52 -0.25 0.00 -0.16 0.00 0.00 57.16 57.27 2jmr n GLU 83 Cb 0.00 -1.91 0.03 0.00 1.43 0.00 0.00 31.44 30.99 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 -1.88 -2.94 -4.20 -1.84 2.85 -1.26 -4.99 115.26 101.00 2jmr n ASN 84 Ca -0.01 -0.92 -0.12 0.00 -0.11 0.00 0.00 54.58 53.43 2jmr n ASN 84 Cb 0.19 -3.73 -0.10 0.00 1.24 0.00 0.00 39.78 37.38 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 -3.63 0.20 0.37 -0.44 -1.32 -1.26 -5.06 115.64 104.50 2jmr s THR 85 Ca 0.21 -1.96 0.05 0.00 -1.21 0.00 0.00 61.69 58.78 2jmr s THR 85 Cb -0.07 -2.30 0.21 0.00 -1.51 0.00 0.00 72.50 68.84 2jmr s THR 85 CO 0.84 -0.24 1.96 -0.37 -2.21 0.00 0.00 174.62 174.60 2jmr h VAL 86 N 2.69 1.16 0.00 5.08 -1.51 -1.94 -2.10 116.25 119.63 2jmr h VAL 86 Ca -0.36 -0.51 0.00 0.00 -1.23 0.00 0.00 66.70 64.60 2jmr h VAL 86 Cb 1.22 0.72 0.00 0.00 -2.13 0.00 0.00 31.29 31.11 2jmr h VAL 86 CO 0.58 0.19 0.00 -1.20 -1.23 0.00 0.00 177.57 175.91 2jmr n SER 87 N -4.37 0.00 -3.75 4.19 7.64 -1.26 -4.78 113.62 111.29 2jmr n SER 87 Ca 0.02 0.45 -0.29 0.00 1.01 0.00 0.00 58.87 60.06 2jmr n SER 87 Cb 0.15 -0.48 0.22 0.00 -1.01 0.00 0.00 64.21 63.09 2jmr n SER 87 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2jmr n ALA 88 N -1.48 -2.18 -0.40 -0.43 0.00 -0.79 -2.53 120.51 112.71 2jmr n ALA 88 Ca 0.06 -1.67 -0.29 0.00 0.00 0.00 0.00 53.44 51.54 2jmr n ALA 88 Cb 0.25 -0.10 0.27 0.00 0.00 0.00 0.00 19.45 19.88 2jmr n ALA 88 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2jmr n ALA 89 N -4.20 -3.70 -0.00 0.00 0.00 -1.24 -4.45 120.51 106.92 2jmr n ALA 89 Ca -0.21 -1.44 0.01 0.00 0.00 0.00 0.00 53.44 51.80 2jmr n ALA 89 Cb 0.57 -1.87 -0.02 0.00 0.00 0.00 0.00 19.45 18.13 2jmr n ALA 89 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 2jmr n SER 90 N -5.19 4.44 -1.25 0.00 7.64 -1.26 -4.78 113.62 113.22 2jmr n SER 90 Ca 0.05 0.00 0.02 0.00 1.01 0.00 0.00 58.87 59.95 2jmr n SER 90 Cb 0.56 1.04 0.00 0.00 -1.01 0.00 0.00 64.21 64.80 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 2.43 0.86 2.63 0.23 0.00 -1.26 -5.00 105.19 105.08 2jmr n GLY 91 Ca -0.01 -0.58 -0.29 0.00 0.00 0.00 0.00 46.02 45.14 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 0.34 3.78 -4.76 0.99 4.77 -1.26 -0.50 117.00 120.36 2jmr n LEU 92 Ca 0.00 -5.35 -0.36 0.00 -0.03 0.00 0.00 56.01 50.27 2jmr n LEU 92 Cb 1.00 -0.76 0.02 0.00 -2.33 0.00 0.00 43.42 41.35 2jmr n LEU 92 CO -0.05 1.92 0.84 -0.83 -1.33 0.00 0.00 177.39 177.95 2jmr s GLY 93 N -2.03 2.74 0.31 -0.72 0.00 -0.70 -4.72 107.32 102.21 2jmr s GLY 93 Ca 0.35 0.99 -0.29 0.00 0.00 0.00 0.00 44.72 45.77 2jmr s GLY 93 CO -0.05 1.40 1.23 -0.42 0.00 0.00 0.00 173.10 175.25 2jmr s ILE 94 N -1.59 3.01 -0.07 0.90 -1.09 0.06 -0.80 121.20 121.61 2jmr s ILE 94 Ca 0.74 1.01 0.04 0.00 -2.23 0.00 0.00 60.65 60.21 2jmr s ILE 94 Cb -0.30 -3.64 0.00 0.00 -1.58 0.00 0.00 42.46 36.94 2jmr s ILE 94 CO 0.33 0.24 -0.18 -1.58 -1.23 0.00 0.00 174.94 172.52 2jmr s GLN 95 N -1.68 2.16 0.00 2.79 0.74 -0.03 -0.92 119.66 122.73 2jmr s GLN 95 Ca 0.47 -0.65 0.04 0.00 0.05 0.00 0.00 55.36 55.28 2jmr s GLN 95 Cb -0.37 -1.76 -0.01 0.00 1.10 0.00 0.00 33.01 31.98 2jmr s GLN 95 CO 0.48 0.17 -0.12 -0.51 -0.55 0.00 0.00 175.29 174.77 2jmr s LEU 96 N 0.29 2.06 0.11 3.68 1.02 -1.26 -0.17 118.68 124.41 2jmr s LEU 96 Ca -0.11 -0.27 0.06 0.00 0.02 0.00 0.00 54.13 53.83 2jmr s LEU 96 Cb -0.15 -0.57 -0.04 0.00 0.02 0.00 0.00 46.19 45.46 2jmr s LEU 96 CO 0.05 0.10 -0.15 -0.76 0.02 0.00 0.00 176.35 175.60 2jmr s LEU 97 N -0.51 2.36 0.97 1.79 2.01 -0.27 -4.37 118.68 120.67 2jmr s LEU 97 Ca 0.03 -0.75 -0.16 0.00 0.01 0.00 0.00 54.13 53.26 2jmr s LEU 97 Cb -0.05 -0.60 0.19 0.00 0.01 0.00 0.00 46.19 45.74 2jmr s LEU 97 CO -0.00 -0.10 1.26 0.54 1.01 0.00 0.00 176.35 179.07 2jmr s ASN 98 N -2.23 3.00 0.18 2.29 6.03 -1.26 -0.01 114.94 122.94 2jmr s ASN 98 Ca 0.06 0.43 -0.11 0.00 -1.03 0.00 0.00 52.86 52.21 2jmr s ASN 98 Cb -0.07 -0.59 0.22 0.00 -3.03 0.00 0.00 41.25 37.78 2jmr s ASN 98 CO 0.03 -2.82 1.13 1.21 -2.03 0.00 0.00 177.10 174.63 2jmr n GLU 99 N -3.85 -0.14 0.00 3.55 2.13 -0.40 -0.35 120.64 121.57 2jmr n GLU 99 Ca 0.13 1.13 0.15 0.00 0.66 0.00 0.00 57.16 59.23 2jmr n GLU 99 Cb 0.60 -1.68 0.70 0.00 0.27 0.00 0.00 31.44 31.33 2jmr n GLU 99 CO 0.00 0.00 0.00 1.04 -0.41 0.00 0.00 177.13 177.76 2jmr n GLN 100 N -5.11 0.75 -1.42 5.31 6.02 -1.26 -4.89 117.38 116.78 2jmr n GLN 100 Ca 0.09 -0.18 -0.02 0.00 -0.01 0.00 0.00 57.00 56.87 2jmr n GLN 100 Cb 0.31 -1.50 -0.01 0.00 1.02 0.00 0.00 30.24 30.07 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 -0.97 -0.15 -2.07 -1.09 6.02 0.52 -5.05 117.38 114.59 2jmr n GLN 101 Ca 0.16 0.40 -0.32 0.00 -0.01 0.00 0.00 57.00 57.24 2jmr n GLN 101 Cb 0.24 -4.00 -0.00 0.00 1.02 0.00 0.00 30.24 27.50 2jmr n GLN 101 CO 0.00 0.00 0.00 1.21 -1.01 0.00 0.00 177.06 177.26 2jmr s ASN 102 N -2.95 6.28 -0.78 1.08 3.84 -1.26 -4.88 114.94 116.27 2jmr s ASN 102 Ca 0.00 1.53 -0.25 0.00 0.21 0.00 0.00 52.86 54.35 2jmr s ASN 102 Cb 0.00 -2.49 -0.02 0.00 -0.55 0.00 0.00 41.25 38.19 2jmr s ASN 102 CO 0.00 -0.83 1.78 -1.58 -2.79 0.00 0.00 177.10 173.68 2jmr s GLN 103 N -4.62 2.77 0.03 0.43 2.00 -1.26 -4.03 119.66 114.99 2jmr s GLN 103 Ca 0.58 -0.01 -0.30 0.00 -2.00 0.00 0.00 55.36 53.62 2jmr s GLN 103 Cb -0.11 -4.72 -0.07 0.00 0.80 0.00 0.00 33.01 28.91 2jmr s GLN 103 CO 0.43 -2.85 1.46 -1.50 -0.50 0.00 0.00 175.29 172.34 2jmr s ILE 104 N 8.64 3.48 0.52 -2.34 2.07 -1.26 -5.00 121.20 127.31 2jmr s ILE 104 Ca 0.62 0.92 -0.20 0.00 -1.41 0.00 0.00 60.65 60.58 2jmr s ILE 104 Cb -0.09 -3.59 -0.07 0.00 0.13 0.00 0.00 42.46 38.85 2jmr s ILE 104 CO 0.09 0.01 1.10 -2.16 -1.91 0.00 0.00 174.94 172.07 2jmr s PRO 105 N 2.29 3.51 0.20 3.50 0.04 -1.26 -4.84 135.00 138.43 2jmr s PRO 105 Ca 0.66 1.55 0.07 0.00 0.04 0.00 0.00 61.00 63.32 2jmr s PRO 105 Cb -0.34 -2.06 -0.04 0.00 0.04 0.00 0.00 34.50 32.10 2jmr s PRO 105 CO 0.28 -0.71 0.08 -0.51 0.04 0.00 0.00 177.00 176.19 2jmr s LEU 106 N -3.66 3.55 -1.99 -3.56 1.02 -1.26 -4.61 118.68 108.17 2jmr s LEU 106 Ca 0.71 -0.31 0.00 0.00 0.02 0.00 0.00 54.13 54.54 2jmr s LEU 106 Cb -0.22 -2.15 0.00 0.00 0.02 0.00 0.00 46.19 43.84 2jmr s LEU 106 CO 0.25 0.05 0.00 0.59 0.02 0.00 0.00 176.35 177.26 2jmr n ASN 107 N -0.48 -5.41 -4.60 2.29 3.02 -1.05 -4.94 115.26 104.09 2jmr n ASN 107 Ca -0.08 0.46 -0.24 0.00 -0.03 0.00 0.00 54.58 54.69 2jmr n ASN 107 Cb 0.56 -4.56 0.12 0.00 -0.61 0.00 0.00 39.78 35.30 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 -2.64 3.67 0.58 5.41 0.00 -1.26 -5.07 121.76 122.45 2jmr s ALA 108 Ca 0.00 -1.84 -0.13 0.00 0.00 0.00 0.00 51.96 49.99 2jmr s ALA 108 Cb 0.00 -1.97 -0.05 0.00 0.00 0.00 0.00 23.12 21.09 2jmr s ALA 108 CO 0.00 -1.62 1.01 -1.25 0.00 0.00 0.00 175.76 173.90 2jmr s PRO 109 N -5.22 3.73 0.12 0.00 0.04 -1.26 -4.96 135.00 127.44 2jmr s PRO 109 Ca 0.68 0.83 0.12 0.00 0.04 0.00 0.00 61.00 62.68 2jmr s PRO 109 Cb -0.04 -2.10 0.59 0.00 0.04 0.00 0.00 34.50 32.99 2jmr s PRO 109 CO 0.46 -0.46 1.38 0.45 0.04 0.00 0.00 177.00 178.87 2jmr n SER 110 N -2.30 0.25 0.22 6.66 2.88 -1.26 -2.04 113.62 118.02 2jmr n SER 110 Ca 0.06 0.59 0.10 0.00 -1.33 0.00 0.00 58.87 58.30 2jmr n SER 110 Cb 0.54 -0.63 0.40 0.00 -0.75 0.00 0.00 64.21 63.77 2jmr n SER 110 CO 0.00 0.00 0.00 0.77 -1.23 0.00 0.00 175.04 174.58 2jmr h SER 111 N 0.00 0.00 0.29 -3.46 4.64 -2.02 -3.34 113.55 109.66 2jmr h SER 111 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2jmr h SER 111 Cb 0.12 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.21 2jmr h SER 111 CO 0.00 0.20 -1.01 0.00 -0.87 0.00 0.00 176.83 175.15 2jmr n ALA 112 N -2.19 3.76 -3.51 5.18 0.00 -0.87 -4.72 120.51 118.17 2jmr n ALA 112 Ca 0.01 -0.46 -0.27 0.00 0.00 0.00 0.00 53.44 52.72 2jmr n ALA 112 Cb 0.46 -0.92 -0.14 0.00 0.00 0.00 0.00 19.45 18.85 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 -3.57 0.46 -0.22 0.00 -0.00 -1.25 -4.94 118.68 109.15 2jmr s LEU 113 Ca 0.05 -1.31 -0.09 0.00 -0.00 0.00 0.00 54.13 52.78 2jmr s LEU 113 Cb 0.15 -0.21 0.09 0.00 -0.00 0.00 0.00 46.19 46.22 2jmr s LEU 113 CO 0.81 -0.42 0.48 -0.94 -0.00 0.00 0.00 176.35 176.29 2jmr s SER 114 N 2.02 -0.53 0.16 1.48 1.04 -1.26 -3.62 113.70 112.99 2jmr s SER 114 Ca 0.10 1.13 -0.20 0.00 0.48 0.00 0.00 55.95 57.47 2jmr s SER 114 Cb -0.16 1.43 0.05 0.00 0.10 0.00 0.00 66.02 67.44 2jmr s SER 114 CO -0.32 -0.22 0.53 -1.66 0.98 0.00 0.00 173.24 172.54 2jmr s TRP 115 N 2.37 -0.33 -0.19 5.02 -0.00 -1.24 -5.01 118.94 119.56 2jmr s TRP 115 Ca -0.05 0.05 -0.29 0.00 -0.00 0.00 0.00 56.10 55.81 2jmr s TRP 115 Cb -0.11 0.44 0.13 0.00 -0.00 0.00 0.00 33.47 33.93 2jmr s TRP 115 CO -0.15 -0.83 1.02 0.99 -0.00 0.00 0.00 176.95 177.98 2jmr s THR 116 N -3.80 0.00 -0.67 0.66 2.01 -1.26 -4.56 115.64 108.03 2jmr s THR 116 Ca 0.04 0.00 -0.23 0.00 0.31 0.00 0.00 61.69 61.81 2jmr s THR 116 Cb -0.00 -1.00 0.06 0.00 0.01 0.00 0.00 72.50 71.57 2jmr s THR 116 CO -0.10 0.00 1.00 -0.89 -0.69 0.00 0.00 174.62 173.95 2jmr s THR 117 N -0.85 4.25 0.15 -0.82 2.01 -1.26 -4.00 115.64 115.11 2jmr s THR 117 Ca -0.01 -0.24 -0.03 0.00 0.31 0.00 0.00 61.69 61.72 2jmr s THR 117 Cb -0.01 -4.71 -0.05 0.00 0.01 0.00 0.00 72.50 67.74 2jmr s THR 117 CO -0.00 -1.50 0.36 -0.76 -0.69 0.00 0.00 174.62 172.03 2jmr s LEU 118 N 4.28 4.26 0.02 4.42 2.01 -0.43 -4.34 118.68 128.90 2jmr s LEU 118 Ca 0.24 0.51 -0.18 0.00 0.01 0.00 0.00 54.13 54.71 2jmr s LEU 118 Cb -0.16 -3.25 0.03 0.00 0.01 0.00 0.00 46.19 42.83 2jmr s LEU 118 CO 0.11 0.04 0.40 -0.89 1.01 0.00 0.00 176.35 177.01 2jmr s THR 119 N -1.70 0.05 0.26 5.49 2.01 -1.26 -4.40 115.64 116.09 2jmr s THR 119 Ca 0.40 -0.45 -0.30 0.00 0.31 0.00 0.00 61.69 61.66 2jmr s THR 119 Cb -0.12 -0.86 -0.09 0.00 0.01 0.00 0.00 72.50 71.44 2jmr s THR 119 CO 0.26 -0.25 1.23 -2.16 -0.69 0.00 0.00 174.62 173.02 2jmr s PRO 120 N -2.04 4.47 -0.50 4.92 0.04 -1.26 -3.92 135.00 136.70 2jmr s PRO 120 Ca -0.08 2.00 0.00 0.00 0.04 0.00 0.00 61.00 62.96 2jmr s PRO 120 Cb -0.02 -3.17 0.00 0.00 0.04 0.00 0.00 34.50 31.36 2jmr s PRO 120 CO 0.01 -0.08 0.00 0.41 0.04 0.00 0.00 177.00 177.38 2jmr n GLY 121 N 1.56 0.53 3.51 0.56 0.00 -0.87 -4.83 105.19 105.65 2jmr n GLY 121 Ca 0.02 -0.05 -0.24 0.00 0.00 0.00 0.00 46.02 45.75 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 -2.15 1.82 -0.93 1.61 2.20 -1.25 -4.35 119.74 116.68 2jmr s LYS 122 Ca 0.00 -1.69 -0.25 0.00 -0.36 0.00 0.00 55.97 53.67 2jmr s LYS 122 Cb 0.00 -1.86 -0.09 0.00 -1.51 0.00 0.00 37.83 34.37 2jmr s LYS 122 CO 0.00 0.33 2.08 -2.14 -0.36 0.00 0.00 175.35 175.27 2jmr s PRO 123 N -3.55 2.16 0.79 4.03 0.02 -1.26 -4.45 135.00 132.74 2jmr s PRO 123 Ca 0.30 -0.23 -0.11 0.00 0.02 0.00 0.00 61.00 60.98 2jmr s PRO 123 Cb -0.05 -5.01 0.07 0.00 0.02 0.00 0.00 34.50 29.52 2jmr s PRO 123 CO 0.16 -3.96 1.09 -0.80 -0.33 0.00 0.00 177.00 173.15 2jmr s ASN 124 N 8.60 4.45 -0.10 2.53 0.01 -0.35 -4.85 114.94 125.23 2jmr s ASN 124 Ca 0.77 1.58 -0.06 0.00 -0.71 0.00 0.00 52.86 54.44 2jmr s ASN 124 Cb -0.07 -2.33 0.04 0.00 0.41 0.00 0.00 41.25 39.30 2jmr s ASN 124 CO 0.05 -2.04 0.24 -0.89 -1.51 0.00 0.00 177.10 172.96 2jmr s THR 125 N -3.00 -0.03 -0.21 1.60 2.01 -1.26 -1.22 115.64 113.53 2jmr s THR 125 Ca 0.61 0.10 -0.05 0.00 0.31 0.00 0.00 61.69 62.66 2jmr s THR 125 Cb -0.16 -0.36 -0.02 0.00 0.01 0.00 0.00 72.50 71.97 2jmr s THR 125 CO 0.56 0.04 -0.00 -0.76 -0.69 0.00 0.00 174.62 173.77 2jmr s LEU 126 N 0.92 3.18 -0.28 4.42 1.43 0.09 -4.61 118.68 123.82 2jmr s LEU 126 Ca -0.07 -0.26 -0.29 0.00 -1.03 0.00 0.00 54.13 52.49 2jmr s LEU 126 Cb -0.08 -1.82 -0.02 0.00 0.03 0.00 0.00 46.19 44.30 2jmr s LEU 126 CO -0.06 0.02 1.81 0.20 0.23 0.00 0.00 176.35 178.55 2jmr s ASN 127 N 1.26 5.96 0.36 2.29 0.01 -1.26 -2.31 114.94 121.24 2jmr s ASN 127 Ca 0.04 1.47 0.03 0.00 -0.71 0.00 0.00 52.86 53.68 2jmr s ASN 127 Cb -0.15 -2.53 -0.01 0.00 0.41 0.00 0.00 41.25 38.98 2jmr s ASN 127 CO 0.01 -1.63 0.10 0.49 -1.51 0.00 0.00 177.10 174.56 2jmr n PHE 128 N 9.98 0.29 -3.90 2.20 3.72 -1.09 -1.27 117.46 127.40 2jmr n PHE 128 Ca 0.23 -2.15 -0.09 0.00 -0.05 0.00 0.00 57.45 55.38 2jmr n PHE 128 Cb 0.46 -0.06 -0.07 0.00 -0.94 0.00 0.00 39.48 38.87 2jmr n PHE 128 CO 0.00 0.00 0.00 0.71 -0.05 0.00 0.00 176.76 177.42 2jmr s TYR 129 N -2.76 0.26 0.05 1.38 2.02 0.98 -3.65 117.35 115.63 2jmr s TYR 129 Ca 0.14 -0.63 -0.03 0.00 -0.37 0.00 0.00 57.07 56.17 2jmr s TYR 129 Cb 0.01 -0.00 -0.03 0.00 -0.40 0.00 0.00 41.96 41.54 2jmr s TYR 129 CO 0.10 -0.69 0.04 0.00 -1.57 0.00 0.00 175.55 173.42 2jmr s ALA 130 N -3.92 0.24 0.05 3.71 0.00 -0.56 -1.11 121.76 120.16 2jmr s ALA 130 Ca 0.12 -0.94 -0.11 0.00 0.00 0.00 0.00 51.96 51.03 2jmr s ALA 130 Cb 0.03 0.31 0.04 0.00 0.00 0.00 0.00 23.12 23.50 2jmr s ALA 130 CO -0.04 -0.38 0.53 -2.13 0.00 0.00 0.00 175.76 173.74 2jmr n ARG 131 N 0.27 0.22 -3.97 0.00 3.00 0.76 -0.74 116.66 116.20 2jmr n ARG 131 Ca -0.16 -0.57 -0.30 0.00 -0.00 0.00 0.00 57.85 56.83 2jmr n ARG 131 Cb 0.61 0.81 -0.16 0.00 0.00 0.00 0.00 32.46 33.72 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 2.32 -0.11 6.15 2.96 -1.26 -0.85 118.68 127.89 2jmr s LEU 132 Ca 0.12 -0.96 -0.17 0.00 -0.22 0.00 0.00 54.13 52.90 2jmr s LEU 132 Cb -0.01 -1.19 -0.04 0.00 0.50 0.00 0.00 46.19 45.45 2jmr s LEU 132 CO 0.01 -0.18 0.44 -0.32 -1.32 0.00 0.00 176.35 174.99 2jmr s MET 133 N 1.42 4.28 0.27 1.98 -2.45 0.02 -3.94 119.30 120.87 2jmr s MET 133 Ca -0.03 0.39 -0.29 0.00 -1.25 0.00 0.00 55.69 54.51 2jmr s MET 133 Cb -0.17 -3.41 -0.09 0.00 1.25 0.00 0.00 34.83 32.41 2jmr s MET 133 CO -0.07 0.23 0.95 0.00 1.05 0.00 0.00 175.02 177.18 2jmr s ALA 134 N 0.40 3.31 0.00 4.11 0.00 -0.99 -1.71 121.76 126.88 2jmr s ALA 134 Ca 0.24 0.62 0.00 0.00 0.00 0.00 0.00 51.96 52.82 2jmr s ALA 134 Cb -0.15 -3.21 0.00 0.00 0.00 0.00 0.00 23.12 19.76 2jmr s ALA 134 CO 0.10 0.17 0.09 0.25 0.00 0.00 0.00 175.76 176.37 2jmr n THR 135 N 1.22 0.00 -3.86 0.00 -2.24 0.35 -4.44 114.28 105.31 2jmr n THR 135 Ca -0.01 -0.37 -0.05 0.00 -2.27 0.00 0.00 64.05 61.35 2jmr n THR 135 Cb 0.48 1.06 -0.01 0.00 -2.10 0.00 0.00 70.33 69.75 2jmr n THR 135 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2jmr n GLN 136 N -0.56 0.17 -3.12 -0.78 1.13 -1.20 -4.80 117.38 108.23 2jmr n GLN 136 Ca 0.00 -0.88 -0.30 0.00 -1.94 0.00 0.00 57.00 53.88 2jmr n GLN 136 Cb 0.02 0.80 -0.05 0.00 0.11 0.00 0.00 30.24 31.12 2jmr n GLN 136 CO 0.00 0.00 0.00 0.28 -1.44 0.00 0.00 177.06 175.90 2jmr n VAL 137 N -0.18 3.27 0.08 5.09 0.31 -1.26 -4.35 118.33 121.29 2jmr n VAL 137 Ca 0.01 -5.51 -0.17 0.00 -0.01 0.00 0.00 64.34 58.66 2jmr n VAL 137 Cb 0.17 -1.76 -0.09 0.00 -0.91 0.00 0.00 33.84 31.25 2jmr n VAL 137 CO 0.00 0.00 0.00 1.55 -1.32 0.00 0.00 176.83 177.06 2jmr h PRO 138 N 3.80 0.49 -5.09 5.55 0.13 -1.92 -3.48 132.00 131.49 2jmr h PRO 138 Ca 0.20 -0.60 -0.08 0.00 -0.87 0.00 0.00 66.00 64.64 2jmr h PRO 138 Cb 0.56 0.19 -0.05 0.00 0.13 0.00 0.00 31.00 31.83 2jmr h PRO 138 CO 0.91 1.23 -0.12 1.33 -0.23 0.00 0.00 178.00 181.12 2jmr n VAL 139 N -3.74 0.00 -2.56 1.56 0.24 -1.26 -4.91 118.33 107.65 2jmr n VAL 139 Ca -0.10 0.00 -0.43 0.00 -2.04 0.00 0.00 64.34 61.77 2jmr n VAL 139 Cb 0.91 -0.07 -0.02 0.00 -1.47 0.00 0.00 33.84 33.20 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 -2.06 4.19 0.87 3.34 2.01 -1.26 -4.81 115.64 117.91 2jmr s THR 140 Ca 0.11 1.24 -0.11 0.00 0.31 0.00 0.00 61.69 63.25 2jmr s THR 140 Cb -0.07 -4.51 0.12 0.00 0.01 0.00 0.00 72.50 68.05 2jmr s THR 140 CO 0.14 -0.90 1.14 0.00 -0.69 0.00 0.00 174.62 174.31 2jmr s ALA 141 N 4.51 1.71 0.00 7.40 0.00 -1.26 -4.45 121.76 129.67 2jmr s ALA 141 Ca 0.50 0.54 0.00 0.00 0.00 0.00 0.00 51.96 52.99 2jmr s ALA 141 Cb -0.09 -3.41 0.00 0.00 0.00 0.00 0.00 23.12 19.62 2jmr s ALA 141 CO 0.30 -2.45 0.00 0.41 0.00 0.00 0.00 175.76 174.01 2jmr n GLY 142 N -0.13 -0.30 3.92 0.00 0.00 -1.20 -4.62 105.19 102.86 2jmr n GLY 142 Ca 0.11 -1.10 -0.26 0.00 0.00 0.00 0.00 46.02 44.77 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 -2.00 3.49 -0.26 1.61 0.00 -1.05 0.04 115.29 117.13 2jmr s HIS 143 Ca 0.00 0.66 -0.09 0.00 -3.00 0.00 0.00 55.06 52.63 2jmr s HIS 143 Cb 0.00 -2.26 -0.04 0.00 -4.00 0.00 0.00 32.58 26.28 2jmr s HIS 143 CO 0.00 -0.26 0.12 0.42 -1.00 0.00 0.00 174.74 174.02 2jmr s ILE 144 N -2.67 4.74 -0.12 -5.38 -1.09 -0.30 -3.72 121.20 112.66 2jmr s ILE 144 Ca 0.47 -0.03 -0.06 0.00 -2.23 0.00 0.00 60.65 58.80 2jmr s ILE 144 Cb -0.10 -3.23 0.05 0.00 -1.58 0.00 0.00 42.46 37.60 2jmr s ILE 144 CO 0.43 0.31 0.28 0.20 -1.23 0.00 0.00 174.94 174.93 2jmr s ASN 145 N 1.57 -0.32 0.26 3.58 0.01 -1.26 -3.01 114.94 115.77 2jmr s ASN 145 Ca 0.06 0.61 -0.09 0.00 -0.71 0.00 0.00 52.86 52.73 2jmr s ASN 145 Cb -0.15 0.49 0.04 0.00 0.41 0.00 0.00 41.25 42.04 2jmr s ASN 145 CO 0.06 -0.17 0.50 0.00 -1.51 0.00 0.00 177.10 175.98 2jmr n ALA 146 N 4.22 -1.10 -3.51 0.60 0.00 -1.26 -0.22 120.51 119.24 2jmr n ALA 146 Ca -0.25 -0.84 -0.14 0.00 0.00 0.00 0.00 53.44 52.21 2jmr n ALA 146 Cb 0.54 0.67 -0.05 0.00 0.00 0.00 0.00 19.45 20.61 2jmr n ALA 146 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 177.50 177.42 2jmr s THR 147 N -2.43 0.00 0.14 0.00 -1.32 -1.26 -4.41 115.64 106.36 2jmr s THR 147 Ca 0.11 0.00 -0.25 0.00 -1.21 0.00 0.00 61.69 60.33 2jmr s THR 147 Cb -0.03 -1.00 0.07 0.00 -1.51 0.00 0.00 72.50 70.03 2jmr s THR 147 CO 0.08 0.00 1.00 0.00 -2.21 0.00 0.00 174.62 173.49 2jmr s ALA 148 N -1.81 -1.71 -0.17 11.08 0.00 -1.22 -4.67 121.76 123.26 2jmr s ALA 148 Ca -0.05 0.15 0.00 0.00 0.00 0.00 0.00 51.96 52.06 2jmr s ALA 148 Cb -0.00 0.62 0.03 0.00 0.00 0.00 0.00 23.12 23.76 2jmr s ALA 148 CO 0.02 -1.05 -0.12 0.95 0.00 0.00 0.00 175.76 175.57 2jmr s THR 149 N -3.11 1.55 -0.68 0.00 -4.23 -0.49 -0.80 115.64 107.88 2jmr s THR 149 Ca 0.13 -0.77 -0.27 0.00 -1.18 0.00 0.00 61.69 59.60 2jmr s THR 149 Cb -0.01 -1.54 0.03 0.00 1.34 0.00 0.00 72.50 72.32 2jmr s THR 149 CO 0.02 0.32 1.22 0.72 -0.54 0.00 0.00 174.62 176.36 2jmr s PHE 150 N 1.47 2.43 -0.34 3.99 -0.12 -1.18 -1.93 117.98 122.30 2jmr s PHE 150 Ca 0.02 0.08 -0.20 0.00 -0.05 0.00 0.00 56.93 56.78 2jmr s PHE 150 Cb -0.14 -4.55 -0.00 0.00 -0.63 0.00 0.00 43.02 37.69 2jmr s PHE 150 CO -0.09 -1.87 0.63 0.95 -0.05 0.00 0.00 175.22 174.78 2jmr s THR 151 N 5.32 4.91 0.17 -4.49 -4.23 0.31 -4.74 115.64 112.89 2jmr s THR 151 Ca 0.37 0.67 -0.30 0.00 -1.18 0.00 0.00 61.69 61.25 2jmr s THR 151 Cb -0.08 -4.04 -0.07 0.00 1.34 0.00 0.00 72.50 69.64 2jmr s THR 151 CO 0.18 -0.24 0.98 -0.76 -0.54 0.00 0.00 174.62 174.24 2jmr s LEU 152 N 2.65 4.55 -0.34 4.79 2.01 -1.26 -1.29 118.68 129.79 2jmr s LEU 152 Ca 0.24 1.90 0.02 0.00 0.01 0.00 0.00 54.13 56.30 2jmr s LEU 152 Cb -0.15 -3.60 0.09 0.00 0.01 0.00 0.00 46.19 42.55 2jmr s LEU 152 CO 0.14 -0.01 0.06 -0.70 1.01 0.00 0.00 176.35 176.84 2jmr s GLU 153 N -0.47 1.73 -0.18 1.70 2.12 -0.51 -4.79 118.70 118.30 2jmr s GLU 153 Ca 0.45 -1.77 -0.29 0.00 0.36 0.00 0.00 54.97 53.73 2jmr s GLU 153 Cb -0.25 -3.24 -0.04 0.00 0.26 0.00 0.00 34.13 30.85 2jmr s GLU 153 CO 0.31 -0.90 1.88 0.71 -0.54 0.00 0.00 175.26 176.72 2jmr s TYR 154 N 0.99 1.64 -1.34 5.30 2.02 -1.26 -1.57 117.35 123.13 2jmr s TYR 154 Ca 0.07 0.34 -0.11 0.00 -0.37 0.00 0.00 57.07 57.00 2jmr s TYR 154 Cb -0.20 -4.04 0.12 0.00 -0.40 0.00 0.00 41.96 37.44 2jmr s TYR 154 CO -0.06 -3.81 2.00 0.94 -1.57 0.00 0.00 175.55 173.05 2jmr n GLN 155 N 8.03 3.34 -2.49 -0.62 7.27 -1.26 -4.91 117.38 126.73 2jmr n GLN 155 Ca 0.23 -3.19 -0.31 0.00 0.07 0.00 0.00 57.00 53.80 2jmr n GLN 155 Cb 0.44 -3.06 -0.02 0.00 2.41 0.00 0.00 30.24 30.01 2jmr n GLN 155 CO 0.00 0.00 0.00 0.34 0.07 0.00 0.00 177.06 177.47 2jmr s ASP 156 N 1.74 6.48 0.54 1.69 2.15 -1.26 -4.89 116.67 123.11 2jmr s ASP 156 Ca 0.42 1.31 0.21 0.00 0.43 0.00 0.00 52.55 54.93 2jmr s ASP 156 Cb 0.11 -2.41 1.39 0.00 -0.30 0.00 0.00 42.92 41.72 2jmr s ASP 156 CO -0.03 -0.57 2.11 -1.13 -0.17 0.00 0.00 175.17 175.38 2jmr h ASN 157 N 0.74 0.00 -3.59 -0.34 -0.73 -1.93 -3.31 115.58 106.42 2jmr h ASN 157 Ca -0.46 0.00 -0.73 0.00 1.87 0.00 0.00 56.30 56.97 2jmr h ASN 157 Cb 1.19 0.00 -0.30 0.00 0.27 0.00 0.00 38.32 39.48 2jmr h ASN 157 CO 0.62 0.00 -0.29 -2.28 -0.37 0.00 0.00 177.43 175.12 2jmr s HIS 158 N -4.98 3.48 0.59 0.67 2.46 -1.26 -5.07 115.29 111.19 2jmr s HIS 158 Ca -0.05 -2.08 -0.19 0.00 0.47 0.00 0.00 55.06 53.21 2jmr s HIS 158 Cb 0.17 -3.50 -0.05 0.00 -0.13 0.00 0.00 32.58 29.07 2jmr s HIS 158 CO 0.67 -0.96 1.00 0.72 -2.47 0.00 0.00 174.74 173.70 2jmr n HIS 159 N 4.41 0.97 -4.28 3.88 8.25 -1.25 -5.05 115.22 122.14 2jmr n HIS 159 Ca -0.00 0.44 -0.15 0.00 -0.26 0.00 0.00 57.72 57.75 2jmr n HIS 159 Cb 0.41 -2.16 -0.10 0.00 1.12 0.00 0.00 29.99 29.26 2jmr n HIS 159 CO 0.00 0.00 0.00 -1.01 0.64 0.00 0.00 176.34 175.97 2jmr s HIS 160 N -1.48 1.41 0.18 4.41 3.76 -1.26 -5.14 115.29 117.17 2jmr s HIS 160 Ca 0.75 -1.15 0.09 0.00 -0.15 0.00 0.00 55.06 54.60 2jmr s HIS 160 Cb -0.42 -0.81 -0.04 0.00 1.11 0.00 0.00 32.58 32.42 2jmr s HIS 160 CO 0.48 -0.32 -0.10 -1.01 -0.85 0.00 0.00 174.74 172.93 2jmr s HIS 161 N -3.76 2.61 0.28 1.40 3.76 -1.26 -5.10 115.29 113.22 2jmr s HIS 161 Ca 0.34 -0.23 -0.08 0.00 -0.15 0.00 0.00 55.06 54.94 2jmr s HIS 161 Cb 0.07 -1.28 0.03 0.00 1.11 0.00 0.00 32.58 32.52 2jmr s HIS 161 CO 0.11 0.51 0.51 0.72 -0.85 0.00 0.00 174.74 175.74 2jmr n HIS 162 N 0.06 -1.75 0.03 1.40 8.25 -1.26 -5.14 115.22 116.81 2jmr n HIS 162 Ca -0.11 -1.50 0.00 0.00 -0.26 0.00 0.00 57.72 55.85 2jmr n HIS 162 Cb 0.55 0.60 0.00 0.00 1.12 0.00 0.00 29.99 32.26 2jmr n HIS 162 CO 0.00 0.00 0.00 0.72 0.64 0.00 0.00 176.34 177.70 2jmr n HIS 163 N -0.41 -0.25 -1.09 4.41 8.25 -1.26 -5.06 115.22 119.81 2jmr n HIS 163 Ca -0.04 0.04 -0.29 0.00 -0.26 0.00 0.00 57.72 57.17 2jmr n HIS 163 Cb 0.44 0.13 0.21 0.00 1.12 0.00 0.00 29.99 31.89 2jmr n HIS 163 CO 0.00 0.00 0.00 0.21 0.64 0.00 0.00 176.34 177.19 2jmr s LYS 164 N -1.37 -0.34 0.00 -0.41 2.20 -1.26 -5.02 119.74 113.53 2jmr s LYS 164 Ca 0.00 0.29 0.00 0.00 -0.36 0.00 0.00 55.97 55.90 2jmr s LYS 164 Cb 0.00 -1.67 0.00 0.00 -1.51 0.00 0.00 37.83 34.65 2jmr s LYS 164 CO 0.00 -3.20 0.00 0.00 -0.36 0.00 0.00 175.35 171.79 2jmr n GLN 165 N -4.47 0.00 -4.00 4.03 -0.00 -1.26 -5.08 117.38 106.59 2jmr n GLN 165 Ca 0.08 0.00 -0.11 0.00 -0.00 0.00 0.00 57.00 56.97 2jmr n GLN 165 Cb 0.58 -0.55 -0.04 0.00 -0.00 0.00 0.00 30.24 30.23 2jmr n GLN 165 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 2jmr s ALA 166 N -1.85 0.01 -0.72 2.61 0.00 -1.26 -5.03 121.76 115.52 2jmr s ALA 166 Ca 0.00 -1.06 -0.00 0.00 0.00 0.00 0.00 51.96 50.90 2jmr s ALA 166 Cb 0.00 1.05 0.38 0.00 0.00 0.00 0.00 23.12 24.55 2jmr s ALA 166 CO 0.00 -0.85 1.80 -0.25 0.00 0.00 0.00 175.76 176.46 2jmr n ASP 167 N -0.80 6.83 -3.60 0.00 9.92 -1.26 -4.89 116.55 122.75 2jmr n ASP 167 Ca -0.02 -3.81 -0.43 0.00 -0.53 0.00 0.00 54.79 50.01 2jmr n ASP 167 Cb 0.62 -0.90 -0.06 0.00 -0.64 0.00 0.00 41.12 40.14 2jmr n ASP 167 CO 0.00 0.00 0.00 -1.54 0.13 0.00 0.00 177.20 175.79 2jmr n SER 168 N -0.57 2.44 -4.70 -2.24 3.41 -1.26 -4.62 113.62 106.08 2jmr n SER 168 Ca 0.51 -2.66 -0.29 0.00 -0.26 0.00 0.00 58.87 56.17 2jmr n SER 168 Cb 0.39 -1.06 0.16 0.00 -0.26 0.00 0.00 64.21 63.44 2jmr n SER 168 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 2jmr s THR 169 N 5.12 2.37 -0.03 6.66 2.01 -1.26 -3.09 115.64 127.42 2jmr s THR 169 Ca 0.58 0.12 0.05 0.00 0.31 0.00 0.00 61.69 62.75 2jmr s THR 169 Cb 0.14 -2.61 -0.01 0.00 0.01 0.00 0.00 72.50 70.03 2jmr s THR 169 CO 0.13 -0.16 -0.18 -0.51 -0.69 0.00 0.00 174.62 173.22 2jmr s ILE 170 N -2.96 1.46 -0.22 1.82 -1.16 0.01 -4.54 121.20 115.62 2jmr s ILE 170 Ca 0.64 -0.76 -0.02 0.00 -0.51 0.00 0.00 60.65 60.01 2jmr s ILE 170 Cb -0.18 -1.24 0.07 0.00 0.61 0.00 0.00 42.46 41.72 2jmr s ILE 170 CO 0.57 0.42 0.03 -0.89 -2.81 0.00 0.00 174.94 172.26 2jmr s THR 171 N -0.17 0.77 -0.56 4.00 2.01 -1.26 -3.37 115.64 117.06 2jmr s THR 171 Ca 0.01 -0.81 -0.18 0.00 0.31 0.00 0.00 61.69 61.02 2jmr s THR 171 Cb -0.10 -1.27 0.09 0.00 0.01 0.00 0.00 72.50 71.23 2jmr s THR 171 CO 0.01 -0.25 0.64 -0.63 -0.69 0.00 0.00 174.62 173.69 2jmr s ILE 172 N 1.73 4.91 -0.29 1.82 1.01 -1.26 -2.14 121.20 126.97 2jmr s ILE 172 Ca -0.00 -0.93 -0.28 0.00 0.00 0.00 0.00 60.65 59.43 2jmr s ILE 172 Cb -0.17 -4.40 0.01 0.00 0.01 0.00 0.00 42.46 37.91 2jmr s ILE 172 CO -0.10 -0.98 1.03 -0.13 0.00 0.00 0.00 174.94 174.76 2jmr s ARG 173 N 2.47 4.10 0.29 2.79 1.81 -0.12 -4.24 118.95 126.07 2jmr s ARG 173 Ca 0.11 1.08 0.00 0.00 -1.72 0.00 0.00 55.73 55.20 2jmr s ARG 173 Cb -0.24 -3.71 -0.02 0.00 -0.45 0.00 0.00 34.95 30.53 2jmr s ARG 173 CO 0.07 -0.80 0.32 0.20 -0.68 0.00 0.00 175.30 174.41 2jmr s GLY 174 N 1.53 1.68 -0.14 -3.53 0.00 -1.16 -0.59 107.32 105.10 2jmr s GLY 174 Ca 0.43 -1.70 -0.15 0.00 0.00 0.00 0.00 44.72 43.30 2jmr s GLY 174 CO 0.13 -1.23 0.43 -0.47 0.00 0.00 0.00 173.10 171.96 2jmr s TYR 175 N -3.56 -0.45 -0.38 1.90 5.04 -1.25 -1.15 117.35 117.50 2jmr s TYR 175 Ca 0.35 1.07 -0.09 0.00 -2.44 0.00 0.00 57.07 55.97 2jmr s TYR 175 Cb 0.02 0.16 0.05 0.00 0.35 0.00 0.00 41.96 42.55 2jmr s TYR 175 CO 0.20 -0.25 0.20 0.08 -1.34 0.00 0.00 175.55 174.43 2jmr s VAL 176 N 0.04 4.21 -0.01 3.14 1.01 0.11 -2.18 120.40 126.72 2jmr s VAL 176 Ca -0.02 -1.16 -0.30 0.00 0.00 0.00 0.00 61.98 60.50 2jmr s VAL 176 Cb -0.03 -3.46 -0.03 0.00 0.00 0.00 0.00 36.38 32.86 2jmr s VAL 176 CO 0.01 -0.33 1.04 -0.13 0.00 0.00 0.00 175.10 175.69 2jmr s ARG 177 N 1.46 4.50 0.09 2.72 1.81 0.53 -3.23 118.95 126.83 2jmr s ARG 177 Ca 0.01 1.50 0.07 0.00 -1.72 0.00 0.00 55.73 55.59 2jmr s ARG 177 Cb -0.21 -3.46 0.35 0.00 -0.45 0.00 0.00 34.95 31.19 2jmr s ARG 177 CO 0.04 -0.16 1.21 -0.40 -0.68 0.00 0.00 175.30 175.30 2jmr n ASP 178 N 4.18 0.16 0.00 0.23 5.75 -1.26 0.30 116.55 125.91 2jmr n ASP 178 Ca 0.07 0.57 0.00 0.00 -0.01 0.00 0.00 54.79 55.42 2jmr n ASP 178 Cb 0.49 -0.59 0.00 0.00 -1.03 0.00 0.00 41.12 39.99 2jmr n ASP 178 CO 0.00 0.00 0.00 -3.20 -0.11 0.00 0.00 177.20 173.89