#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 0.88 0.31 3.04 0.00 -1.26 -4.95 121.76 119.78 2jmr s ALA 2 Ca 0.00 0.25 0.00 0.00 0.00 0.00 0.00 51.96 52.21 2jmr s ALA 2 Cb 0.00 -3.34 0.50 0.00 0.00 0.00 0.00 23.12 20.28 2jmr s ALA 2 CO 0.00 -3.01 1.91 0.22 0.00 0.00 0.00 175.76 174.88 2jmr h ASP 3 N -2.04 0.77 -5.47 0.00 3.58 -2.08 -3.45 116.42 107.74 2jmr h ASP 3 Ca -0.50 -0.08 0.19 0.00 0.42 0.00 0.00 57.03 57.06 2jmr h ASP 3 Cb 1.29 -0.20 -0.05 0.00 1.72 0.00 0.00 39.33 42.09 2jmr h ASP 3 CO 0.47 0.66 0.62 -0.44 -2.88 0.00 0.00 179.24 177.66 2jmr s SER 4 N -6.51 -0.03 -0.26 2.28 0.01 -1.26 -5.12 113.70 102.81 2jmr s SER 4 Ca -0.10 -0.56 -0.21 0.00 1.31 0.00 0.00 55.95 56.39 2jmr s SER 4 Cb 0.17 0.44 -0.01 0.00 0.21 0.00 0.00 66.02 66.82 2jmr s SER 4 CO 0.78 -0.87 0.68 0.28 0.41 0.00 0.00 173.24 174.52 2jmr s THR 5 N -2.34 4.94 0.00 1.44 -1.32 -1.26 -4.87 115.64 112.23 2jmr s THR 5 Ca 0.21 1.18 0.00 0.00 -1.21 0.00 0.00 61.69 61.87 2jmr s THR 5 Cb -0.02 -3.99 0.00 0.00 -1.51 0.00 0.00 72.50 66.99 2jmr s THR 5 CO 0.04 -0.03 0.00 -0.38 -2.21 0.00 0.00 174.62 172.04 2jmr n ILE 6 N 5.25 0.00 1.19 5.08 2.08 -1.26 -4.68 119.36 127.01 2jmr n ILE 6 Ca 0.01 -0.04 0.06 0.00 0.56 0.00 0.00 62.75 63.34 2jmr n ILE 6 Cb 0.49 0.44 0.35 0.00 -0.75 0.00 0.00 39.64 40.17 2jmr n ILE 6 CO 0.00 0.00 0.00 1.07 0.56 0.00 0.00 176.55 178.18 2jmr n THR 7 N -1.07 0.00 -1.66 1.39 5.66 -1.26 -4.85 114.28 112.49 2jmr n THR 7 Ca 0.00 0.00 -0.44 0.00 -3.05 0.00 0.00 64.05 60.56 2jmr n THR 7 Cb 0.00 -0.51 -0.02 0.00 -1.55 0.00 0.00 70.33 68.25 2jmr n THR 7 CO 0.00 0.00 0.00 -0.38 -3.05 0.00 0.00 175.07 171.64 2jmr n ILE 8 N -0.81 1.63 0.12 1.09 2.08 -1.26 -4.91 119.36 117.30 2jmr n ILE 8 Ca 0.09 -0.41 -0.13 0.00 0.56 0.00 0.00 62.75 62.86 2jmr n ILE 8 Cb 0.04 -1.40 -0.06 0.00 -0.75 0.00 0.00 39.64 37.48 2jmr n ILE 8 CO 0.00 0.00 0.00 -0.09 0.56 0.00 0.00 176.55 177.02 2jmr h ARG 9 N 2.98 -0.47 -6.36 0.38 1.12 -2.01 -3.38 114.38 106.64 2jmr h ARG 9 Ca -0.44 0.03 -0.54 0.00 -1.11 0.00 0.00 59.98 57.91 2jmr h ARG 9 Cb 1.29 0.11 0.02 0.00 -0.01 0.00 0.00 29.97 31.38 2jmr h ARG 9 CO 0.66 -0.31 1.21 0.41 -3.11 0.00 0.00 179.97 178.83 2jmr n GLY 10 N -1.38 1.80 3.14 2.80 0.00 -1.26 -4.95 105.19 105.33 2jmr n GLY 10 Ca -0.07 0.82 -0.12 0.00 0.00 0.00 0.00 46.02 46.66 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 4.29 -0.46 0.00 1.61 6.14 -1.26 -5.04 117.35 122.63 2jmr s TYR 11 Ca 0.89 1.02 0.00 0.00 0.64 0.00 0.00 57.07 59.62 2jmr s TYR 11 Cb -0.48 0.13 0.00 0.00 0.42 0.00 0.00 41.96 42.04 2jmr s TYR 11 CO 0.43 -0.29 0.21 1.55 0.64 0.00 0.00 175.55 178.09 2jmr n VAL 12 N 4.38 0.00 -3.60 3.14 3.14 -1.26 -5.03 118.33 119.09 2jmr n VAL 12 Ca -0.22 0.49 -0.11 0.00 -2.96 0.00 0.00 64.34 61.53 2jmr n VAL 12 Cb 0.53 -1.04 -0.06 0.00 -1.06 0.00 0.00 33.84 32.21 2jmr n VAL 12 CO 0.00 0.00 0.00 -0.60 -6.46 0.00 0.00 176.83 169.77 2jmr s ARG 13 N -0.77 0.64 0.19 1.45 3.00 -1.26 -5.03 118.95 117.16 2jmr s ARG 13 Ca 0.00 0.47 -0.09 0.00 -1.00 0.00 0.00 55.73 55.12 2jmr s ARG 13 Cb 0.00 0.31 0.09 0.00 0.00 0.00 0.00 34.95 35.35 2jmr s ARG 13 CO 0.00 -0.13 1.67 -0.44 0.00 0.00 0.00 175.30 176.40 2jmr h ASP 14 N 3.67 1.06 -3.73 -2.12 5.19 -1.93 -2.03 116.42 116.53 2jmr h ASP 14 Ca -0.25 -0.28 -0.64 0.00 -0.62 0.00 0.00 57.03 55.24 2jmr h ASP 14 Cb 1.17 -0.28 -0.37 0.00 0.18 0.00 0.00 39.33 40.02 2jmr h ASP 14 CO 0.19 1.08 -0.80 0.20 -3.12 0.00 0.00 179.24 176.80 2jmr s ASN 15 N -6.54 4.11 0.00 6.45 0.02 -1.26 -3.15 114.94 114.57 2jmr s ASN 15 Ca -0.12 -1.26 0.00 0.00 -1.02 0.00 0.00 52.86 50.46 2jmr s ASN 15 Cb 0.14 -1.38 0.00 0.00 0.02 0.00 0.00 41.25 40.03 2jmr s ASN 15 CO 0.86 -0.20 0.00 0.61 0.02 0.00 0.00 177.10 178.38 2jmr n GLY 16 N 4.55 0.71 3.62 0.66 0.00 -1.26 -5.03 105.19 108.43 2jmr n GLY 16 Ca -0.13 -0.64 -0.51 0.00 0.00 0.00 0.00 46.02 44.74 2jmr n GLY 16 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2jmr n SER 18 N 3.10 1.29 -4.73 0.00 7.64 -0.03 -4.86 113.62 116.03 2jmr n SER 18 Ca 0.19 0.84 -0.41 0.00 1.01 0.00 0.00 58.87 60.50 2jmr n SER 18 Cb 0.22 -1.44 -0.04 0.00 -1.01 0.00 0.00 64.21 61.93 2jmr n SER 18 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 2jmr s VAL 19 N -1.45 4.73 0.91 0.44 1.01 -1.26 -1.76 120.40 123.02 2jmr s VAL 19 Ca 0.76 1.82 -0.11 0.00 0.00 0.00 0.00 61.98 64.45 2jmr s VAL 19 Cb -0.42 -4.20 0.14 0.00 0.00 0.00 0.00 36.38 31.90 2jmr s VAL 19 CO 0.46 0.30 1.09 0.00 0.00 0.00 0.00 175.10 176.95 2jmr s ALA 20 N 0.27 1.42 0.16 5.51 0.00 -0.87 -4.77 121.76 123.48 2jmr s ALA 20 Ca 0.43 0.11 -0.11 0.00 0.00 0.00 0.00 51.96 52.39 2jmr s ALA 20 Cb -0.21 -3.26 0.04 0.00 0.00 0.00 0.00 23.12 19.69 2jmr s ALA 20 CO 0.25 -2.50 1.63 0.00 0.00 0.00 0.00 175.76 175.14 2jmr h ALA 21 N -1.66 0.73 0.00 0.00 0.00 -1.89 -1.18 119.26 115.26 2jmr h ALA 21 Ca -0.49 -0.28 0.00 0.00 0.00 0.00 0.00 54.91 54.15 2jmr h ALA 21 Cb 1.28 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 18.87 2jmr h ALA 21 CO 0.51 0.52 0.00 -0.85 0.00 0.00 0.00 179.25 179.43 2jmr n GLU 22 N -4.30 0.46 0.12 0.00 0.28 -1.26 -3.35 120.64 112.59 2jmr n GLU 22 Ca 0.02 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 57.02 2jmr n GLU 22 Cb 0.31 -1.26 0.00 0.00 1.43 0.00 0.00 31.44 31.92 2jmr n GLU 22 CO 0.00 0.00 0.00 0.45 -0.16 0.00 0.00 177.13 177.42 2jmr n SER 23 N 0.66 -0.15 -4.66 -1.84 2.88 -0.67 -4.84 113.62 105.01 2jmr n SER 23 Ca 0.00 0.40 -0.42 0.00 -1.33 0.00 0.00 58.87 57.52 2jmr n SER 23 Cb 0.21 0.34 -0.03 0.00 -0.75 0.00 0.00 64.21 63.97 2jmr n SER 23 CO 0.00 0.00 0.00 0.28 -1.23 0.00 0.00 175.04 174.09 2jmr s THR 24 N -2.00 3.44 -1.57 2.46 -1.32 -0.53 -2.19 115.64 113.93 2jmr s THR 24 Ca 0.00 0.54 -0.10 0.00 -1.21 0.00 0.00 61.69 60.91 2jmr s THR 24 Cb 0.00 -3.35 0.09 0.00 -1.51 0.00 0.00 72.50 67.73 2jmr s THR 24 CO 0.00 -0.05 0.65 0.59 -2.21 0.00 0.00 174.62 173.59 2jmr n ASN 25 N 7.29 -2.18 -2.50 8.08 3.02 -1.25 -4.87 115.26 122.85 2jmr n ASN 25 Ca 0.18 -0.99 0.00 0.00 -0.03 0.00 0.00 54.58 53.74 2jmr n ASN 25 Cb 0.42 -2.97 0.00 0.00 -0.61 0.00 0.00 39.78 36.62 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 -4.43 -2.03 -3.66 3.10 -1.74 -0.93 -5.02 117.46 102.75 2jmr n PHE 26 Ca -0.09 0.00 -0.17 0.00 -0.56 0.00 0.00 57.45 56.63 2jmr n PHE 26 Cb 0.58 0.00 -0.16 0.00 1.52 0.00 0.00 39.48 41.42 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 -0.51 -0.24 0.01 1.97 2.01 -1.26 -4.43 115.64 113.20 2jmr s THR 27 Ca 0.00 0.35 -0.28 0.00 0.31 0.00 0.00 61.69 62.07 2jmr s THR 27 Cb 0.00 -0.29 -0.04 0.00 0.01 0.00 0.00 72.50 72.18 2jmr s THR 27 CO 0.00 0.14 0.90 -0.69 -0.69 0.00 0.00 174.62 174.28 2jmr s VAL 28 N 2.27 4.82 -0.50 3.82 1.01 -0.41 -4.97 120.40 126.44 2jmr s VAL 28 Ca 0.03 1.89 -0.29 0.00 0.00 0.00 0.00 61.98 63.62 2jmr s VAL 28 Cb -0.12 -4.24 0.03 0.00 0.00 0.00 0.00 36.38 32.05 2jmr s VAL 28 CO -0.06 0.23 1.17 -0.62 0.00 0.00 0.00 175.10 175.82 2jmr s ASP 29 N 0.66 6.57 -0.39 3.32 2.15 -1.26 -1.20 116.67 126.52 2jmr s ASP 29 Ca 0.47 0.38 -0.07 0.00 0.43 0.00 0.00 52.55 53.76 2jmr s ASP 29 Cb -0.21 -2.55 0.07 0.00 -0.30 0.00 0.00 42.92 39.94 2jmr s ASP 29 CO 0.26 -1.33 0.21 -0.76 -0.17 0.00 0.00 175.17 173.38 2jmr s LEU 30 N 4.65 4.93 1.04 -1.34 1.02 -0.81 -4.97 118.68 123.21 2jmr s LEU 30 Ca 0.47 -1.49 -0.18 0.00 0.02 0.00 0.00 54.13 52.95 2jmr s LEU 30 Cb -0.07 -1.93 0.01 0.00 0.02 0.00 0.00 46.19 44.21 2jmr s LEU 30 CO 0.30 -0.48 -0.22 1.15 0.02 0.00 0.00 176.35 177.12 2jmr n MET 31 N 4.84 -0.76 -2.01 1.70 0.00 -1.26 -3.88 117.12 115.74 2jmr n MET 31 Ca -0.10 -0.20 -0.42 0.00 0.00 0.00 0.00 57.70 56.98 2jmr n MET 31 Cb 0.43 -1.55 -0.03 0.00 0.00 0.00 0.00 33.22 32.08 2jmr n MET 31 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 175.97 174.76 2jmr s GLU 32 N -3.09 4.12 -0.11 3.17 2.02 -1.26 -4.59 118.70 118.95 2jmr s GLU 32 Ca 0.51 2.13 0.03 0.00 0.02 0.00 0.00 54.97 57.66 2jmr s GLU 32 Cb -0.12 -4.00 0.01 0.00 0.10 0.00 0.00 34.13 30.12 2jmr s GLU 32 CO 0.69 -0.92 -0.21 0.54 0.02 0.00 0.00 175.26 175.37 2jmr s ASN 33 N 3.54 2.92 0.54 -0.19 6.03 -0.83 -4.95 114.94 121.99 2jmr s ASN 33 Ca 0.74 -0.54 -0.22 0.00 -1.03 0.00 0.00 52.86 51.81 2jmr s ASN 33 Cb -0.32 -1.34 -0.05 0.00 -3.03 0.00 0.00 41.25 36.50 2jmr s ASN 33 CO 0.30 0.10 1.37 0.00 -2.03 0.00 0.00 177.10 176.84 2jmr s ALA 34 N 0.62 2.86 0.11 3.54 0.00 -1.26 -2.53 121.76 125.10 2jmr s ALA 34 Ca -0.13 1.35 -0.29 0.00 0.00 0.00 0.00 51.96 52.90 2jmr s ALA 34 Cb -0.17 -3.57 -0.10 0.00 0.00 0.00 0.00 23.12 19.28 2jmr s ALA 34 CO 0.03 -1.36 1.63 0.00 0.00 0.00 0.00 175.76 176.06 2jmr h ALA 35 N 1.54 -0.58 0.00 0.00 0.00 -0.49 -3.37 119.26 116.36 2jmr h ALA 35 Ca -0.51 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.33 2jmr h ALA 35 Cb 1.30 0.47 0.00 0.00 0.00 0.00 0.00 17.79 19.56 2jmr h ALA 35 CO 0.58 -0.87 0.00 0.87 0.00 0.00 0.00 179.25 179.83 2jmr h LYS 36 N -0.58 0.00 0.00 0.00 1.57 -1.84 -0.46 116.57 115.27 2jmr h LYS 36 Ca 0.01 0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 58.77 2jmr h LYS 36 Cb 0.57 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.88 2jmr h LYS 36 CO -0.13 0.00 -0.10 -0.56 -0.57 0.00 0.00 179.45 178.09 2jmr h GLN 37 N 0.00 0.00 -1.99 3.15 3.07 -1.97 -3.31 115.11 114.07 2jmr h GLN 37 Ca 0.00 0.00 -0.36 0.00 0.09 0.00 0.00 58.65 58.38 2jmr h GLN 37 Cb 0.40 0.00 -0.13 0.00 0.08 0.00 0.00 27.48 27.83 2jmr h GLN 37 CO 0.00 0.10 0.07 1.19 0.09 0.00 0.00 178.83 180.28 2jmr n PHE 38 N -3.36 0.93 -1.37 0.06 3.72 -0.18 -4.59 117.46 112.67 2jmr n PHE 38 Ca -0.01 -1.75 -0.20 0.00 -0.05 0.00 0.00 57.45 55.44 2jmr n PHE 38 Cb 0.29 -1.45 0.16 0.00 -0.94 0.00 0.00 39.48 37.54 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 1.52 4.12 0.00 4.37 6.94 -1.25 -4.31 115.26 126.65 2jmr n ASN 39 Ca 0.45 -3.71 0.00 0.00 -0.02 0.00 0.00 54.58 51.30 2jmr n ASN 39 Cb 0.70 -0.77 0.00 0.00 -2.36 0.00 0.00 39.78 37.35 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 -1.08 0.00 -0.74 0.53 0.23 -1.26 -4.96 115.26 107.98 2jmr n ASN 40 Ca 0.52 0.00 0.13 0.00 -0.53 0.00 0.00 54.58 54.69 2jmr n ASN 40 Cb 1.26 0.00 0.30 0.00 -2.08 0.00 0.00 39.78 39.26 2jmr n ASN 40 CO 0.00 0.00 0.00 -0.38 -0.93 0.00 0.00 177.26 175.95 2jmr n ILE 41 N -0.03 0.01 0.79 1.53 -0.00 -1.26 -3.33 119.36 117.07 2jmr n ILE 41 Ca 0.00 -0.39 0.12 0.00 -0.00 0.00 0.00 62.75 62.48 2jmr n ILE 41 Cb 0.00 1.03 0.26 0.00 -0.00 0.00 0.00 39.64 40.93 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 1.27 1.06 3.53 7.39 0.00 -1.26 -4.80 105.19 112.38 2jmr n GLY 42 Ca 0.16 -0.62 -0.42 0.00 0.00 0.00 0.00 46.02 45.14 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 -1.72 3.11 -0.48 4.61 0.00 -1.21 -4.97 121.76 121.11 2jmr s ALA 43 Ca 0.35 -2.62 -0.18 0.00 0.00 0.00 0.00 51.96 49.51 2jmr s ALA 43 Cb 0.21 -4.41 0.05 0.00 0.00 0.00 0.00 23.12 18.96 2jmr s ALA 43 CO 0.30 -3.33 0.53 0.99 0.00 0.00 0.00 175.76 174.25 2jmr s THR 44 N 3.99 5.01 0.98 0.00 2.01 -1.26 -3.22 115.64 123.14 2jmr s THR 44 Ca 0.45 -0.56 -0.13 0.00 0.31 0.00 0.00 61.69 61.75 2jmr s THR 44 Cb -0.00 -4.19 0.08 0.00 0.01 0.00 0.00 72.50 68.39 2jmr s THR 44 CO -0.05 -0.65 0.52 0.35 -0.69 0.00 0.00 174.62 174.10 2jmr n THR 45 N 5.49 0.00 0.18 -0.82 -2.24 -1.21 -4.82 114.28 110.87 2jmr n THR 45 Ca -0.08 -0.18 0.00 0.00 -2.27 0.00 0.00 64.05 61.52 2jmr n THR 45 Cb 0.46 -0.71 0.00 0.00 -2.10 0.00 0.00 70.33 67.97 2jmr n THR 45 CO 0.00 0.00 0.00 -0.81 -0.57 0.00 0.00 175.07 173.69 2jmr n PRO 46 N -2.42 0.13 -3.30 -0.78 -0.04 -1.26 -4.84 135.00 122.47 2jmr n PRO 46 Ca 0.07 0.00 -0.23 0.00 -0.04 0.00 0.00 63.50 63.29 2jmr n PRO 46 Cb 0.54 -1.03 0.02 0.00 -0.04 0.00 0.00 33.50 32.99 2jmr n PRO 46 CO 0.00 0.00 0.00 1.33 -0.04 0.00 0.00 175.50 176.79 2jmr n VAL 47 N 0.01 -4.75 -2.20 0.52 0.24 -1.26 -4.96 118.33 105.93 2jmr n VAL 47 Ca 0.00 0.39 -0.37 0.00 -2.04 0.00 0.00 64.34 62.32 2jmr n VAL 47 Cb 0.02 -4.05 -0.00 0.00 -1.47 0.00 0.00 33.84 28.34 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 -1.49 3.00 -0.02 3.34 0.11 -1.21 -4.84 120.40 119.29 2jmr s VAL 48 Ca 0.25 0.72 -0.30 0.00 -2.93 0.00 0.00 61.98 59.72 2jmr s VAL 48 Cb -0.03 -3.35 -0.04 0.00 -1.53 0.00 0.00 36.38 31.42 2jmr s VAL 48 CO 0.63 -0.04 1.25 -2.16 -3.33 0.00 0.00 175.10 171.45 2jmr s PRO 49 N -2.84 4.35 0.21 1.54 0.04 -1.26 -1.28 135.00 135.76 2jmr s PRO 49 Ca 0.66 1.77 0.07 0.00 0.04 0.00 0.00 61.00 63.53 2jmr s PRO 49 Cb -0.29 -3.52 -0.05 0.00 0.04 0.00 0.00 34.50 30.68 2jmr s PRO 49 CO 0.35 -0.44 -0.11 -0.59 0.04 0.00 0.00 177.00 176.24 2jmr s PHE 50 N 2.04 1.66 0.01 0.56 -0.71 -0.05 -4.83 117.98 116.66 2jmr s PHE 50 Ca 0.58 -0.66 -0.11 0.00 -1.04 0.00 0.00 56.93 55.71 2jmr s PHE 50 Cb -0.27 -0.83 0.01 0.00 -1.21 0.00 0.00 43.02 40.72 2jmr s PHE 50 CO 0.24 0.26 0.22 -0.98 -1.34 0.00 0.00 175.22 173.62 2jmr s ARG 51 N -3.70 0.63 0.00 1.99 1.04 -1.26 -2.84 118.95 114.81 2jmr s ARG 51 Ca 0.23 -0.43 0.00 0.00 -1.04 0.00 0.00 55.73 54.49 2jmr s ARG 51 Cb 0.01 0.27 0.00 0.00 -2.04 0.00 0.00 34.95 33.19 2jmr s ARG 51 CO 0.07 -0.17 0.90 -0.89 -0.04 0.00 0.00 175.30 175.16 2jmr n ILE 52 N 1.07 0.00 -0.27 4.99 2.08 -1.26 -4.95 119.36 121.02 2jmr n ILE 52 Ca -0.21 1.40 0.00 0.00 0.56 0.00 0.00 62.75 64.50 2jmr n ILE 52 Cb 0.57 -2.39 0.00 0.00 -0.75 0.00 0.00 39.64 37.07 2jmr n ILE 52 CO 0.00 0.00 0.00 -0.11 0.56 0.00 0.00 176.55 177.00 2jmr n LEU 53 N -1.74 -0.45 -4.11 1.39 -0.00 -1.26 -4.53 117.00 106.30 2jmr n LEU 53 Ca 0.00 0.00 -0.36 0.00 -0.00 0.00 0.00 56.01 55.65 2jmr n LEU 53 Cb 0.00 -0.23 -0.12 0.00 -0.00 0.00 0.00 43.42 43.08 2jmr n LEU 53 CO 0.00 0.00 -0.17 -0.76 -0.00 0.00 0.00 177.39 176.46 2jmr s LEU 54 N 0.00 5.22 0.02 -1.96 2.01 -0.02 -3.15 118.68 120.79 2jmr s LEU 54 Ca 0.00 -2.06 -0.28 0.00 0.01 0.00 0.00 54.13 51.80 2jmr s LEU 54 Cb 0.00 -1.82 0.09 0.00 0.01 0.00 0.00 46.19 44.47 2jmr s LEU 54 CO 0.00 -0.53 0.76 -0.55 1.01 0.00 0.00 176.35 177.04 2jmr s SER 55 N 1.73 -0.51 0.91 2.29 0.15 -0.72 -2.65 113.70 114.90 2jmr s SER 55 Ca 0.09 0.24 -0.11 0.00 0.70 0.00 0.00 55.95 56.86 2jmr s SER 55 Cb -0.22 0.48 0.14 0.00 -1.71 0.00 0.00 66.02 64.70 2jmr s SER 55 CO -0.04 -0.69 1.10 -2.16 1.20 0.00 0.00 173.24 172.64 2jmr s PRO 56 N -2.55 1.14 0.06 5.44 0.04 -1.26 -2.05 135.00 135.83 2jmr s PRO 56 Ca -0.01 1.07 -0.02 0.00 0.04 0.00 0.00 61.00 62.07 2jmr s PRO 56 Cb -0.01 -1.78 -0.03 0.00 0.04 0.00 0.00 34.50 32.72 2jmr s PRO 56 CO -0.04 -2.39 0.01 0.00 0.04 0.00 0.00 177.00 174.62 2jmr n GLY 58 N 0.13 -1.13 0.02 0.00 0.00 -0.76 -3.62 105.19 99.83 2jmr n GLY 58 Ca -0.15 -1.61 -0.01 0.00 0.00 0.00 0.00 46.02 44.25 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 -1.38 3.31 -3.60 1.61 5.15 -1.25 -1.05 115.26 118.05 2jmr n ASN 59 Ca 0.00 0.00 -0.41 0.00 -0.60 0.00 0.00 54.58 53.57 2jmr n ASN 59 Cb 0.00 0.91 -0.00 0.00 -0.53 0.00 0.00 39.78 40.15 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 -2.08 6.35 -3.80 5.20 0.00 -1.19 -4.85 120.51 120.14 2jmr n ALA 60 Ca -0.08 -4.10 -0.24 0.00 0.00 0.00 0.00 53.44 49.03 2jmr n ALA 60 Cb 0.53 -2.94 -0.17 0.00 0.00 0.00 0.00 19.45 16.87 2jmr n ALA 60 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 2jmr s VAL 61 N -0.09 0.52 0.00 0.00 0.11 -1.26 -4.44 120.40 115.24 2jmr s VAL 61 Ca 0.50 0.02 0.00 0.00 -2.93 0.00 0.00 61.98 59.57 2jmr s VAL 61 Cb 0.15 -0.65 0.00 0.00 -1.53 0.00 0.00 36.38 34.35 2jmr s VAL 61 CO -0.06 0.27 0.00 -1.20 -3.33 0.00 0.00 175.10 170.79 2jmr n SER 62 N 5.10 0.00 -3.98 3.54 7.64 -1.26 -4.69 113.62 119.97 2jmr n SER 62 Ca -0.08 0.21 -0.09 0.00 1.01 0.00 0.00 58.87 59.92 2jmr n SER 62 Cb 0.50 -0.21 -0.05 0.00 -1.01 0.00 0.00 64.21 63.44 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 -3.58 -0.23 0.31 -0.43 0.00 -1.26 -1.32 121.76 115.25 2jmr s ALA 63 Ca 0.00 -0.89 0.01 0.00 0.00 0.00 0.00 51.96 51.08 2jmr s ALA 63 Cb 0.00 1.07 -0.00 0.00 0.00 0.00 0.00 23.12 24.19 2jmr s ALA 63 CO 0.00 -0.86 0.03 0.28 0.00 0.00 0.00 175.76 175.22 2jmr n VAL 64 N -0.39 0.00 -4.27 0.00 0.31 -1.26 -4.05 118.33 108.67 2jmr n VAL 64 Ca -0.02 -1.55 -0.15 0.00 -0.01 0.00 0.00 64.34 62.62 2jmr n VAL 64 Cb 0.62 0.39 -0.10 0.00 -0.91 0.00 0.00 33.84 33.84 2jmr n VAL 64 CO 0.00 0.00 0.00 -0.54 -1.32 0.00 0.00 176.83 174.97 2jmr s LYS 65 N -3.13 1.31 -0.03 5.55 1.02 -0.34 -4.65 119.74 119.47 2jmr s LYS 65 Ca 0.04 -1.69 -0.01 0.00 0.02 0.00 0.00 55.97 54.33 2jmr s LYS 65 Cb 0.00 -0.08 0.02 0.00 -0.52 0.00 0.00 37.83 37.26 2jmr s LYS 65 CO 0.03 -0.31 0.06 0.54 -0.92 0.00 0.00 175.35 174.75 2jmr s VAL 66 N -3.88 -0.04 -0.30 3.17 0.11 -1.26 -0.55 120.40 117.65 2jmr s VAL 66 Ca 0.37 0.14 0.00 0.00 -2.93 0.00 0.00 61.98 59.56 2jmr s VAL 66 Cb 0.07 -0.11 0.09 0.00 -1.53 0.00 0.00 36.38 34.91 2jmr s VAL 66 CO 0.12 0.06 0.07 -0.83 -3.33 0.00 0.00 175.10 171.19 2jmr s GLY 67 N 0.76 1.26 -0.28 6.54 0.00 0.28 -4.93 107.32 110.95 2jmr s GLY 67 Ca -0.06 -1.78 -0.29 0.00 0.00 0.00 0.00 44.72 42.59 2jmr s GLY 67 CO -0.03 1.40 1.07 -1.36 0.00 0.00 0.00 173.10 174.19 2jmr s PHE 68 N 1.46 3.20 0.01 1.90 0.40 -1.26 -0.69 117.98 123.00 2jmr s PHE 68 Ca 0.08 1.29 0.03 0.00 -0.60 0.00 0.00 56.93 57.73 2jmr s PHE 68 Cb -0.18 -3.52 -0.01 0.00 0.51 0.00 0.00 43.02 39.82 2jmr s PHE 68 CO -0.19 -0.71 -0.10 0.95 0.70 0.00 0.00 175.22 175.87 2jmr s THR 69 N 3.49 0.78 -5.00 0.64 -4.23 -0.51 -1.46 115.64 109.34 2jmr s THR 69 Ca 0.46 -0.63 0.00 0.00 -1.18 0.00 0.00 61.69 60.33 2jmr s THR 69 Cb -0.14 -0.69 0.00 0.00 1.34 0.00 0.00 72.50 73.01 2jmr s THR 69 CO 0.12 0.06 0.00 0.61 -0.54 0.00 0.00 174.62 174.87 2jmr n GLY 70 N 2.42 -1.25 3.66 3.99 0.00 -1.26 -0.76 105.19 111.98 2jmr n GLY 70 Ca -0.16 -1.23 -0.43 0.00 0.00 0.00 0.00 46.02 44.20 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 -2.98 4.42 0.33 1.61 1.01 -1.26 -4.80 120.40 118.72 2jmr s VAL 71 Ca 0.00 1.71 -0.26 0.00 0.00 0.00 0.00 61.98 63.43 2jmr s VAL 71 Cb 0.00 -4.15 -0.10 0.00 0.00 0.00 0.00 36.38 32.14 2jmr s VAL 71 CO 0.00 -0.20 0.97 0.00 0.00 0.00 0.00 175.10 175.87 2jmr s ALA 72 N 3.48 3.21 0.96 5.51 0.00 -1.26 -1.03 121.76 132.62 2jmr s ALA 72 Ca 0.50 0.57 -0.12 0.00 0.00 0.00 0.00 51.96 52.92 2jmr s ALA 72 Cb -0.18 -3.21 0.17 0.00 0.00 0.00 0.00 23.12 19.90 2jmr s ALA 72 CO 0.12 0.10 1.10 0.34 0.00 0.00 0.00 175.76 177.42 2jmr s ASP 73 N -1.55 2.93 -0.08 0.00 -1.08 -0.33 -4.56 116.67 111.99 2jmr s ASP 73 Ca 0.51 1.24 -0.25 0.00 -0.52 0.00 0.00 52.55 53.52 2jmr s ASP 73 Cb -0.20 -1.90 -0.27 0.00 -1.46 0.00 0.00 42.92 39.09 2jmr s ASP 73 CO 0.26 -2.94 0.90 0.77 0.52 0.00 0.00 175.17 174.67 2jmr h SER 74 N -1.76 0.22 -0.40 -0.34 4.64 -1.96 -3.30 113.55 110.65 2jmr h SER 74 Ca -0.53 -0.91 -0.03 0.00 -0.47 0.00 0.00 61.79 59.86 2jmr h SER 74 Cb 1.32 -0.07 -0.02 0.00 -0.31 0.00 0.00 62.40 63.32 2jmr h SER 74 CO 0.57 1.11 0.15 0.45 -0.87 0.00 0.00 176.83 178.24 2jmr h HIS 75 N -0.63 0.63 -2.24 4.77 3.86 -1.97 -3.35 115.15 116.21 2jmr h HIS 75 Ca -0.05 -0.05 -0.47 0.00 -1.16 0.00 0.00 60.37 58.63 2jmr h HIS 75 Cb 1.19 -0.19 -0.35 0.00 1.06 0.00 0.00 27.41 29.13 2jmr h HIS 75 CO 0.22 0.57 -0.77 -0.80 0.86 0.00 0.00 177.93 178.01 2jmr s ASN 76 N -5.90 1.98 0.00 2.45 -0.87 -1.26 -5.04 114.94 106.31 2jmr s ASN 76 Ca -0.13 -1.92 0.04 0.00 -1.57 0.00 0.00 52.86 49.28 2jmr s ASN 76 Cb 0.10 0.10 0.21 0.00 -0.02 0.00 0.00 41.25 41.64 2jmr s ASN 76 CO 0.76 -0.28 0.81 0.00 -2.57 0.00 0.00 177.10 175.82 2jmr n ALA 77 N 4.08 1.52 0.16 0.60 0.00 -1.24 -0.75 120.51 124.88 2jmr n ALA 77 Ca 0.12 -0.02 0.03 0.00 0.00 0.00 0.00 53.44 53.57 2jmr n ALA 77 Cb 0.41 -1.06 0.24 0.00 0.00 0.00 0.00 19.45 19.05 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 -3.17 0.00 4.21 -1.91 -3.41 115.58 111.30 2jmr h ASN 78 Ca 0.00 0.00 -0.58 0.00 1.21 0.00 0.00 56.30 56.93 2jmr h ASN 78 Cb 0.02 0.00 -0.04 0.00 -1.12 0.00 0.00 38.32 37.17 2jmr h ASN 78 CO 0.00 0.48 -0.22 -0.76 -1.29 0.00 0.00 177.43 175.64 2jmr s LEU 79 N -7.15 4.32 -0.15 1.61 2.01 0.07 -3.44 118.68 115.95 2jmr s LEU 79 Ca 0.00 0.81 -0.28 0.00 0.01 0.00 0.00 54.13 54.67 2jmr s LEU 79 Cb 0.11 -3.13 -0.01 0.00 0.01 0.00 0.00 46.19 43.17 2jmr s LEU 79 CO 0.72 0.12 0.95 -0.22 1.01 0.00 0.00 176.35 178.93 2jmr s LEU 80 N -2.11 4.19 0.61 1.79 0.20 -0.65 -1.19 118.68 121.53 2jmr s LEU 80 Ca 0.36 1.38 -0.17 0.00 0.69 0.00 0.00 54.13 56.39 2jmr s LEU 80 Cb -0.14 -3.44 -0.02 0.00 -0.43 0.00 0.00 46.19 42.16 2jmr s LEU 80 CO 0.19 -0.47 1.12 0.00 -0.29 0.00 0.00 176.35 176.90 2jmr s ALA 81 N 2.28 2.56 0.94 5.97 0.00 -0.20 -1.33 121.76 131.97 2jmr s ALA 81 Ca 0.44 0.68 -0.07 0.00 0.00 0.00 0.00 51.96 53.01 2jmr s ALA 81 Cb -0.17 -3.34 0.11 0.00 0.00 0.00 0.00 23.12 19.72 2jmr s ALA 81 CO 0.14 -1.08 0.67 1.28 0.00 0.00 0.00 175.76 176.77 2jmr n LEU 82 N -1.94 0.00 0.14 0.00 4.32 -1.26 -4.51 117.00 113.75 2jmr n LEU 82 Ca 0.11 -0.81 0.08 0.00 -0.02 0.00 0.00 56.01 55.36 2jmr n LEU 82 Cb 0.51 -0.51 0.40 0.00 -1.62 0.00 0.00 43.42 42.21 2jmr n LEU 82 CO 0.45 -0.96 0.76 -1.84 -1.22 0.00 0.00 177.39 174.58 2jmr n GLU 83 N -2.40 0.10 -1.87 3.23 0.28 -0.04 -4.84 120.64 115.10 2jmr n GLU 83 Ca 0.09 0.57 -0.14 0.00 -0.16 0.00 0.00 57.16 57.52 2jmr n GLU 83 Cb 0.30 -1.95 -0.04 0.00 1.43 0.00 0.00 31.44 31.19 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 -2.04 -4.02 -4.30 -1.84 2.85 -1.26 -4.95 115.26 99.71 2jmr n ASN 84 Ca -0.01 0.26 -0.30 0.00 -0.11 0.00 0.00 54.58 54.43 2jmr n ASN 84 Cb 0.16 -3.56 0.17 0.00 1.24 0.00 0.00 39.78 37.78 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 -2.43 1.95 0.10 -0.44 -1.32 -1.26 -4.86 115.64 107.38 2jmr s THR 85 Ca 0.00 0.00 -0.31 0.00 -1.21 0.00 0.00 61.69 60.17 2jmr s THR 85 Cb 0.00 -2.91 -0.13 0.00 -1.51 0.00 0.00 72.50 67.95 2jmr s THR 85 CO 0.00 0.00 1.50 1.62 -2.21 0.00 0.00 174.62 175.53 2jmr h VAL 86 N -1.63 0.00 -0.13 5.08 3.04 -2.02 -1.12 116.25 119.46 2jmr h VAL 86 Ca -0.45 0.00 -0.03 0.00 -1.01 0.00 0.00 66.70 65.20 2jmr h VAL 86 Cb 1.27 0.00 -0.02 0.00 -2.01 0.00 0.00 31.29 30.53 2jmr h VAL 86 CO 0.45 0.00 0.04 -1.20 -1.01 0.00 0.00 177.57 175.85 2jmr n SER 87 N -5.15 2.30 -4.81 3.17 7.64 -1.26 -4.84 113.62 110.67 2jmr n SER 87 Ca -0.07 -2.21 -0.32 0.00 1.01 0.00 0.00 58.87 57.28 2jmr n SER 87 Cb 0.36 -0.54 0.01 0.00 -1.01 0.00 0.00 64.21 63.03 2jmr n SER 87 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2jmr s ALA 88 N -1.05 2.77 -0.21 -0.43 0.00 -0.43 -3.04 121.76 119.37 2jmr s ALA 88 Ca 0.10 0.29 -0.31 0.00 0.00 0.00 0.00 51.96 52.04 2jmr s ALA 88 Cb 0.08 -3.20 -0.08 0.00 0.00 0.00 0.00 23.12 19.92 2jmr s ALA 88 CO 0.02 -0.83 2.16 0.00 0.00 0.00 0.00 175.76 177.12 2jmr n ALA 89 N -2.23 1.51 -1.87 0.00 0.00 -1.20 -4.78 120.51 111.93 2jmr n ALA 89 Ca 0.08 -0.11 -0.31 0.00 0.00 0.00 0.00 53.44 53.10 2jmr n ALA 89 Cb 0.53 -2.77 -0.00 0.00 0.00 0.00 0.00 19.45 17.21 2jmr n ALA 89 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 2jmr s SER 90 N 7.29 6.32 -1.94 0.00 0.01 -1.26 -4.02 113.70 120.10 2jmr s SER 90 Ca 1.01 1.44 0.00 0.00 1.31 0.00 0.00 55.95 59.71 2jmr s SER 90 Cb -0.51 -2.47 0.00 0.00 0.21 0.00 0.00 66.02 63.25 2jmr s SER 90 CO 0.41 -0.80 0.00 0.61 0.41 0.00 0.00 173.24 173.87 2jmr n GLY 91 N -2.47 1.65 2.35 3.44 0.00 -1.26 -4.69 105.19 104.20 2jmr n GLY 91 Ca 0.06 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.82 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 -2.25 0.61 -4.75 0.99 4.77 -1.26 -0.51 117.00 114.60 2jmr n LEU 92 Ca -0.19 -4.71 -0.33 0.00 -0.03 0.00 0.00 56.01 50.75 2jmr n LEU 92 Cb 0.61 0.34 0.07 0.00 -2.33 0.00 0.00 43.42 42.10 2jmr n LEU 92 CO 0.28 1.97 0.75 -0.83 -1.33 0.00 0.00 177.39 178.23 2jmr s GLY 93 N -0.93 2.15 0.30 -0.72 0.00 -1.09 -4.81 107.32 102.22 2jmr s GLY 93 Ca 0.34 0.63 -0.28 0.00 0.00 0.00 0.00 44.72 45.42 2jmr s GLY 93 CO -0.13 1.01 1.00 -0.42 0.00 0.00 0.00 173.10 174.55 2jmr s ILE 94 N -2.29 3.89 -0.22 0.90 -1.09 -0.44 -1.17 121.20 120.78 2jmr s ILE 94 Ca 0.69 1.73 -0.00 0.00 -2.23 0.00 0.00 60.65 60.84 2jmr s ILE 94 Cb -0.23 -4.04 0.06 0.00 -1.58 0.00 0.00 42.46 36.67 2jmr s ILE 94 CO 0.45 0.29 -0.03 -1.58 -1.23 0.00 0.00 174.94 172.83 2jmr s GLN 95 N -1.70 1.34 -0.40 2.79 0.74 -0.09 -1.63 119.66 120.70 2jmr s GLN 95 Ca 0.47 -0.82 -0.05 0.00 0.05 0.00 0.00 55.36 55.02 2jmr s GLN 95 Cb -0.25 -2.44 0.09 0.00 1.10 0.00 0.00 33.01 31.51 2jmr s GLN 95 CO 0.32 -0.61 0.20 -0.51 -0.55 0.00 0.00 175.29 174.14 2jmr s LEU 96 N 1.53 5.07 0.30 3.68 2.01 -1.26 -1.42 118.68 128.59 2jmr s LEU 96 Ca -0.04 -1.79 0.03 0.00 0.01 0.00 0.00 54.13 52.34 2jmr s LEU 96 Cb -0.18 -1.87 -0.03 0.00 0.01 0.00 0.00 46.19 44.12 2jmr s LEU 96 CO -0.07 -0.52 0.46 -0.76 1.01 0.00 0.00 176.35 176.48 2jmr s LEU 97 N 1.24 4.15 0.95 1.79 1.02 0.03 -4.53 118.68 123.34 2jmr s LEU 97 Ca 0.05 0.24 -0.16 0.00 0.02 0.00 0.00 54.13 54.28 2jmr s LEU 97 Cb -0.23 -3.07 0.19 0.00 0.02 0.00 0.00 46.19 43.10 2jmr s LEU 97 CO -0.02 -0.20 1.31 0.54 0.02 0.00 0.00 176.35 178.00 2jmr s ASN 98 N -4.02 3.19 0.00 2.29 4.22 -1.25 -1.67 114.94 117.70 2jmr s ASN 98 Ca 0.37 0.28 0.00 0.00 -2.14 0.00 0.00 52.86 51.38 2jmr s ASN 98 Cb -0.09 -0.35 0.00 0.00 1.28 0.00 0.00 41.25 42.09 2jmr s ASN 98 CO 0.33 -2.69 0.77 -1.84 -2.04 0.00 0.00 177.10 171.63 2jmr n GLU 99 N -3.74 0.00 -0.11 3.55 0.28 -1.25 -0.40 120.64 118.98 2jmr n GLU 99 Ca 0.15 0.28 0.05 0.00 -0.16 0.00 0.00 57.16 57.48 2jmr n GLU 99 Cb 0.59 -1.51 0.11 0.00 1.43 0.00 0.00 31.44 32.06 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 -1.27 2.15 -2.42 3.44 1.13 -1.26 -4.98 117.38 114.17 2jmr n GLN 100 Ca 0.00 -1.73 -0.21 0.00 -1.94 0.00 0.00 57.00 53.12 2jmr n GLN 100 Cb 0.01 -1.23 -0.01 0.00 0.11 0.00 0.00 30.24 29.13 2jmr n GLN 100 CO 0.00 0.00 0.00 1.04 -1.44 0.00 0.00 177.06 176.66 2jmr n GLN 101 N 0.45 -1.81 -2.74 -1.09 6.02 0.46 -4.95 117.38 113.72 2jmr n GLN 101 Ca 0.09 0.99 -0.40 0.00 -0.01 0.00 0.00 57.00 57.67 2jmr n GLN 101 Cb 0.36 -5.67 -0.06 0.00 1.02 0.00 0.00 30.24 25.90 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 -2.07 7.62 -1.21 1.08 3.84 -1.26 -4.90 114.94 118.05 2jmr s ASN 102 Ca 0.01 1.94 -0.21 0.00 0.21 0.00 0.00 52.86 54.81 2jmr s ASN 102 Cb -0.00 -2.61 -0.05 0.00 -0.55 0.00 0.00 41.25 38.04 2jmr s ASN 102 CO 0.01 0.13 1.88 1.67 -2.79 0.00 0.00 177.10 178.00 2jmr n GLN 103 N 1.64 2.07 -1.55 0.43 7.27 -1.26 -3.87 117.38 122.12 2jmr n GLN 103 Ca -0.01 -2.67 -0.58 0.00 0.07 0.00 0.00 57.00 53.80 2jmr n GLN 103 Cb 0.47 -3.62 -0.09 0.00 2.41 0.00 0.00 30.24 29.41 2jmr n GLN 103 CO 0.00 0.00 0.00 -0.89 0.07 0.00 0.00 177.06 176.24 2jmr n ILE 104 N 7.28 0.17 -2.26 1.69 5.41 -1.26 -4.98 119.36 125.41 2jmr n ILE 104 Ca 0.46 -0.09 -0.38 0.00 1.00 0.00 0.00 62.75 63.74 2jmr n ILE 104 Cb 0.46 -1.08 -0.02 0.00 -0.71 0.00 0.00 39.64 38.29 2jmr n ILE 104 CO 0.00 0.00 0.00 -2.16 0.00 0.00 0.00 176.55 174.39 2jmr s PRO 105 N 4.71 3.96 0.78 0.38 0.05 -1.26 -4.72 135.00 138.90 2jmr s PRO 105 Ca 1.07 1.86 -0.12 0.00 0.05 0.00 0.00 61.00 63.85 2jmr s PRO 105 Cb -1.17 -2.61 0.06 0.00 0.05 0.00 0.00 34.50 30.84 2jmr s PRO 105 CO 0.64 -0.40 1.14 -0.51 0.05 0.00 0.00 177.00 177.91 2jmr s LEU 106 N -2.63 3.12 -1.37 -3.56 1.02 -1.22 -4.29 118.68 109.75 2jmr s LEU 106 Ca 0.59 2.07 -0.05 0.00 0.02 0.00 0.00 54.13 56.77 2jmr s LEU 106 Cb -0.31 -4.55 0.03 0.00 0.02 0.00 0.00 46.19 41.37 2jmr s LEU 106 CO 0.39 -2.28 0.83 0.59 0.02 0.00 0.00 176.35 175.90 2jmr n ASN 107 N -3.29 -2.60 -4.60 2.29 3.02 -0.54 -4.96 115.26 104.58 2jmr n ASN 107 Ca 0.11 -0.78 -0.24 0.00 -0.03 0.00 0.00 54.58 53.65 2jmr n ASN 107 Cb 0.52 -4.15 -0.08 0.00 -0.61 0.00 0.00 39.78 35.46 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 -3.52 3.05 0.62 5.41 0.00 -1.26 -5.12 121.76 120.93 2jmr s ALA 108 Ca 0.23 -1.69 -0.14 0.00 0.00 0.00 0.00 51.96 50.36 2jmr s ALA 108 Cb -0.11 -0.65 -0.03 0.00 0.00 0.00 0.00 23.12 22.33 2jmr s ALA 108 CO 0.81 0.29 1.05 -1.25 0.00 0.00 0.00 175.76 176.65 2jmr s PRO 109 N -3.57 3.27 0.00 0.00 0.04 -1.26 -4.94 135.00 128.54 2jmr s PRO 109 Ca 0.31 1.09 0.15 0.00 0.04 0.00 0.00 61.00 62.58 2jmr s PRO 109 Cb -0.06 -2.03 0.73 0.00 0.04 0.00 0.00 34.50 33.17 2jmr s PRO 109 CO 0.18 -0.84 1.44 0.43 0.04 0.00 0.00 177.00 178.25 2jmr n SER 110 N -2.35 0.00 0.13 6.66 7.64 -1.26 -1.49 113.62 122.95 2jmr n SER 110 Ca 0.08 0.20 0.05 0.00 1.01 0.00 0.00 58.87 60.21 2jmr n SER 110 Cb 0.53 -0.35 0.03 0.00 -1.01 0.00 0.00 64.21 63.42 2jmr n SER 110 CO 0.00 0.00 0.00 0.28 -3.01 0.00 0.00 175.04 172.31 2jmr h SER 111 N 0.00 0.00 0.00 6.43 0.02 -1.97 -3.38 113.55 114.65 2jmr h SER 111 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 2jmr h SER 111 Cb 0.18 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.72 2jmr h SER 111 CO 0.00 0.35 0.00 0.00 -1.14 0.00 0.00 176.83 176.04 2jmr n ALA 112 N -2.22 2.51 -2.70 3.77 0.00 -0.56 -4.71 120.51 116.60 2jmr n ALA 112 Ca 0.00 -0.12 -0.10 0.00 0.00 0.00 0.00 53.44 53.22 2jmr n ALA 112 Cb 0.69 -1.32 -0.07 0.00 0.00 0.00 0.00 19.45 18.74 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 -1.69 0.91 0.04 0.00 -0.00 -1.26 -4.64 118.68 112.03 2jmr s LEU 113 Ca 0.30 -0.99 -0.16 0.00 -0.00 0.00 0.00 54.13 53.28 2jmr s LEU 113 Cb 0.14 1.13 0.03 0.00 -0.00 0.00 0.00 46.19 47.48 2jmr s LEU 113 CO 0.23 -0.93 0.35 -0.44 -0.00 0.00 0.00 176.35 175.56 2jmr s SER 114 N -3.01 -0.19 0.38 1.48 0.01 -1.26 -4.98 113.70 106.11 2jmr s SER 114 Ca 0.22 -0.08 0.05 0.00 1.31 0.00 0.00 55.95 57.45 2jmr s SER 114 Cb 0.03 0.38 -0.03 0.00 0.21 0.00 0.00 66.02 66.62 2jmr s SER 114 CO 0.04 -0.62 0.18 0.86 0.41 0.00 0.00 173.24 174.12 2jmr s TRP 115 N -2.38 1.75 0.33 2.43 -0.11 -1.26 -4.95 118.94 114.75 2jmr s TRP 115 Ca -0.06 -1.43 0.05 0.00 1.22 0.00 0.00 56.10 55.88 2jmr s TRP 115 Cb -0.01 -0.98 -0.06 0.00 -1.50 0.00 0.00 33.47 30.91 2jmr s TRP 115 CO -0.02 -0.52 0.03 -0.08 -4.62 0.00 0.00 176.95 171.74 2jmr s THR 116 N -3.32 1.37 -0.59 5.86 -1.32 -1.26 -5.01 115.64 111.37 2jmr s THR 116 Ca 0.30 -2.02 -0.26 0.00 -1.21 0.00 0.00 61.69 58.50 2jmr s THR 116 Cb 0.02 -2.75 -0.03 0.00 -1.51 0.00 0.00 72.50 68.23 2jmr s THR 116 CO 0.19 -0.06 1.96 -0.89 -2.21 0.00 0.00 174.62 173.61 2jmr s THR 117 N -3.17 3.29 -0.27 5.08 2.01 -1.26 -4.21 115.64 117.10 2jmr s THR 117 Ca 0.35 0.16 -0.28 0.00 0.31 0.00 0.00 61.69 62.23 2jmr s THR 117 Cb 0.08 -3.77 -0.03 0.00 0.01 0.00 0.00 72.50 68.79 2jmr s THR 117 CO 0.15 -0.75 1.87 -0.76 -0.69 0.00 0.00 174.62 174.44 2jmr s LEU 118 N 9.66 3.59 0.28 4.42 1.02 -0.44 -4.96 118.68 132.25 2jmr s LEU 118 Ca 0.73 1.54 -0.30 0.00 0.02 0.00 0.00 54.13 56.12 2jmr s LEU 118 Cb -0.13 -3.52 -0.13 0.00 0.02 0.00 0.00 46.19 42.42 2jmr s LEU 118 CO 0.22 -1.66 1.37 0.41 0.02 0.00 0.00 176.35 176.70 2jmr n THR 119 N 7.26 1.34 -2.23 5.49 -1.04 -1.26 -4.77 114.28 119.07 2jmr n THR 119 Ca 0.24 -0.34 -0.35 0.00 -2.04 0.00 0.00 64.05 61.56 2jmr n THR 119 Cb 0.46 -1.52 0.00 0.00 -1.82 0.00 0.00 70.33 67.45 2jmr n THR 119 CO 0.00 0.00 0.00 -2.16 -0.64 0.00 0.00 175.07 172.27 2jmr s PRO 120 N -0.95 3.33 -0.89 -2.82 0.04 -1.26 -4.20 135.00 128.25 2jmr s PRO 120 Ca 0.63 1.60 -0.05 0.00 0.04 0.00 0.00 61.00 63.22 2jmr s PRO 120 Cb -0.61 -2.00 0.05 0.00 0.04 0.00 0.00 34.50 31.97 2jmr s PRO 120 CO 0.54 -0.87 0.12 0.41 0.04 0.00 0.00 177.00 177.24 2jmr n GLY 121 N 0.12 -0.12 3.19 0.56 0.00 -0.22 -4.93 105.19 103.80 2jmr n GLY 121 Ca 0.12 0.07 -0.11 0.00 0.00 0.00 0.00 46.02 46.09 2jmr n GLY 121 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2jmr s LYS 122 N -4.93 0.99 -1.08 1.61 -2.85 -1.26 -4.83 119.74 107.39 2jmr s LYS 122 Ca 0.17 -1.46 -0.24 0.00 -1.00 0.00 0.00 55.97 53.44 2jmr s LYS 122 Cb -0.10 -0.05 -0.10 0.00 -2.06 0.00 0.00 37.83 35.52 2jmr s LYS 122 CO 0.53 -0.17 1.98 -1.25 0.10 0.00 0.00 175.35 176.55 2jmr s PRO 123 N -3.96 2.31 0.52 1.78 0.04 -1.26 -4.52 135.00 129.91 2jmr s PRO 123 Ca 0.22 -0.78 -0.22 0.00 0.04 0.00 0.00 61.00 60.25 2jmr s PRO 123 Cb 0.07 -5.15 -0.06 0.00 0.04 0.00 0.00 34.50 29.40 2jmr s PRO 123 CO 0.02 -4.04 1.28 -0.80 0.04 0.00 0.00 177.00 173.50 2jmr s ASN 124 N 7.33 5.59 0.31 6.66 0.01 -1.08 -4.87 114.94 128.87 2jmr s ASN 124 Ca 0.71 2.59 0.06 0.00 -0.71 0.00 0.00 52.86 55.51 2jmr s ASN 124 Cb -0.03 -2.62 -0.06 0.00 0.41 0.00 0.00 41.25 38.94 2jmr s ASN 124 CO 0.10 -1.34 -0.02 -0.89 -1.51 0.00 0.00 177.10 173.44 2jmr s THR 125 N -1.40 1.58 -0.04 1.60 2.01 -1.26 -0.84 115.64 117.28 2jmr s THR 125 Ca 0.69 -2.08 0.06 0.00 0.31 0.00 0.00 61.69 60.67 2jmr s THR 125 Cb -0.36 -2.59 -0.02 0.00 0.01 0.00 0.00 72.50 69.54 2jmr s THR 125 CO 0.43 -0.19 -0.22 -0.76 -0.69 0.00 0.00 174.62 173.18 2jmr s LEU 126 N -3.48 2.27 0.00 4.42 2.01 -1.26 -4.95 118.68 117.69 2jmr s LEU 126 Ca 0.32 -0.40 0.00 0.00 0.01 0.00 0.00 54.13 54.06 2jmr s LEU 126 Cb 0.06 -1.42 0.00 0.00 0.01 0.00 0.00 46.19 44.84 2jmr s LEU 126 CO 0.13 0.30 0.70 0.59 1.01 0.00 0.00 176.35 179.08 2jmr n ASN 127 N 2.58 2.01 -4.53 2.29 3.02 -1.26 -4.36 115.26 115.01 2jmr n ASN 127 Ca -0.17 -1.56 -0.29 0.00 -0.03 0.00 0.00 54.58 52.53 2jmr n ASN 127 Cb 0.52 -0.39 0.14 0.00 -0.61 0.00 0.00 39.78 39.44 2jmr n ASN 127 CO 0.00 0.00 0.00 -0.36 -2.62 0.00 0.00 177.26 174.28 2jmr s PHE 128 N -0.04 2.27 0.02 3.10 0.40 -1.13 -3.75 117.98 118.85 2jmr s PHE 128 Ca 0.00 0.56 0.02 0.00 -0.60 0.00 0.00 56.93 56.91 2jmr s PHE 128 Cb 0.00 -3.77 -0.02 0.00 0.51 0.00 0.00 43.02 39.75 2jmr s PHE 128 CO 0.00 -2.25 -0.07 0.71 0.70 0.00 0.00 175.22 174.31 2jmr s TYR 129 N -3.69 0.57 -0.07 0.36 2.02 -0.67 -0.87 117.35 115.00 2jmr s TYR 129 Ca 0.68 -0.32 0.01 0.00 -0.37 0.00 0.00 57.07 57.07 2jmr s TYR 129 Cb -0.08 -0.35 0.02 0.00 -0.40 0.00 0.00 41.96 41.15 2jmr s TYR 129 CO 0.51 -0.05 -0.09 0.00 -1.57 0.00 0.00 175.55 174.35 2jmr s ALA 130 N -0.83 1.12 0.00 3.71 0.00 -0.40 -0.79 121.76 124.57 2jmr s ALA 130 Ca -0.05 -0.34 0.00 0.00 0.00 0.00 0.00 51.96 51.57 2jmr s ALA 130 Cb -0.06 -0.60 0.00 0.00 0.00 0.00 0.00 23.12 22.45 2jmr s ALA 130 CO 0.00 -0.03 0.00 -2.13 0.00 0.00 0.00 175.76 173.60 2jmr n ARG 131 N 4.12 0.00 -4.12 0.00 3.00 -0.51 -3.29 116.66 115.86 2jmr n ARG 131 Ca -0.21 0.00 -0.24 0.00 -0.00 0.00 0.00 57.85 57.40 2jmr n ARG 131 Cb 0.51 0.00 -0.07 0.00 0.00 0.00 0.00 32.46 32.90 2jmr n ARG 131 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.63 177.12 2jmr s LEU 132 N 0.00 3.15 -0.03 6.15 1.02 -1.26 -0.91 118.68 126.80 2jmr s LEU 132 Ca 0.00 -0.98 0.01 0.00 0.02 0.00 0.00 54.13 53.18 2jmr s LEU 132 Cb 0.00 -1.52 0.02 0.00 0.02 0.00 0.00 46.19 44.70 2jmr s LEU 132 CO 0.00 -0.45 -0.03 -0.32 0.02 0.00 0.00 176.35 175.57 2jmr s MET 133 N -3.88 0.50 0.01 1.70 -2.45 -0.31 -3.30 119.30 111.57 2jmr s MET 133 Ca 0.40 -0.06 -0.30 0.00 -1.25 0.00 0.00 55.69 54.48 2jmr s MET 133 Cb 0.02 -0.57 -0.06 0.00 1.25 0.00 0.00 34.83 35.47 2jmr s MET 133 CO 0.22 -0.05 1.41 0.00 1.05 0.00 0.00 175.02 177.65 2jmr s ALA 134 N 0.66 3.58 -0.13 4.11 0.00 -1.20 -2.67 121.76 126.12 2jmr s ALA 134 Ca -0.07 0.90 0.17 0.00 0.00 0.00 0.00 51.96 52.96 2jmr s ALA 134 Cb -0.11 -3.59 -0.22 0.00 0.00 0.00 0.00 23.12 19.19 2jmr s ALA 134 CO -0.01 -0.90 0.46 0.25 0.00 0.00 0.00 175.76 175.57 2jmr n THR 135 N 4.63 1.15 -4.19 0.00 -2.24 0.33 -4.52 114.28 109.44 2jmr n THR 135 Ca 0.13 -0.74 -0.16 0.00 -2.27 0.00 0.00 64.05 61.01 2jmr n THR 135 Cb 0.43 -0.57 -0.06 0.00 -2.10 0.00 0.00 70.33 68.04 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 -2.76 0.39 -2.55 -0.78 1.13 -0.99 -4.84 117.38 106.98 2jmr n GLN 136 Ca -0.19 -2.70 -0.28 0.00 -1.94 0.00 0.00 57.00 51.89 2jmr n GLN 136 Cb 0.95 2.28 -0.01 0.00 0.11 0.00 0.00 30.24 33.58 2jmr n GLN 136 CO 0.00 0.00 0.00 1.33 -1.44 0.00 0.00 177.06 176.95 2jmr n VAL 137 N -0.52 2.73 0.18 5.09 0.24 -1.26 -4.69 118.33 120.10 2jmr n VAL 137 Ca 0.05 -5.07 0.05 0.00 -2.04 0.00 0.00 64.34 57.34 2jmr n VAL 137 Cb 0.50 -1.30 0.27 0.00 -1.47 0.00 0.00 33.84 31.84 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 2.75 0.00 -6.93 7.34 0.13 -1.84 -3.48 132.00 129.97 2jmr h PRO 138 Ca 0.29 0.00 -0.59 0.00 -0.87 0.00 0.00 66.00 64.83 2jmr h PRO 138 Cb 0.74 0.00 -0.12 0.00 0.13 0.00 0.00 31.00 31.75 2jmr h PRO 138 CO 0.90 0.41 -0.97 1.33 -0.23 0.00 0.00 178.00 179.43 2jmr n VAL 139 N -3.46 -1.99 -3.71 1.56 0.24 -1.26 -4.95 118.33 104.77 2jmr n VAL 139 Ca 0.00 -0.55 -0.37 0.00 -2.04 0.00 0.00 64.34 61.38 2jmr n VAL 139 Cb 0.56 -1.74 -0.12 0.00 -1.47 0.00 0.00 33.84 31.07 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 -4.04 4.65 1.31 3.34 2.01 -1.26 -4.80 115.64 116.85 2jmr s THR 140 Ca 0.17 -0.06 -0.18 0.00 0.31 0.00 0.00 61.69 61.93 2jmr s THR 140 Cb -0.09 -3.19 0.34 0.00 0.01 0.00 0.00 72.50 69.57 2jmr s THR 140 CO 0.97 0.31 0.97 0.00 -0.69 0.00 0.00 174.62 176.18 2jmr s ALA 141 N 1.62 -0.80 0.00 7.40 0.00 -1.26 -4.32 121.76 124.40 2jmr s ALA 141 Ca 0.06 -0.46 0.00 0.00 0.00 0.00 0.00 51.96 51.57 2jmr s ALA 141 Cb -0.15 -3.11 0.00 0.00 0.00 0.00 0.00 23.12 19.86 2jmr s ALA 141 CO 0.06 -4.33 0.00 0.41 0.00 0.00 0.00 175.76 171.89 2jmr n GLY 142 N 1.26 0.09 3.83 0.00 0.00 -1.26 -4.49 105.19 104.63 2jmr n GLY 142 Ca 0.07 -0.13 -0.02 0.00 0.00 0.00 0.00 46.02 45.94 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 0.00 0.00 -0.24 1.61 0.00 -1.17 -4.57 115.29 110.92 2jmr s HIS 143 Ca 0.00 -0.33 -0.07 0.00 -3.00 0.00 0.00 55.06 51.66 2jmr s HIS 143 Cb 0.00 0.66 -0.03 0.00 -4.00 0.00 0.00 32.58 29.21 2jmr s HIS 143 CO 0.00 -0.80 0.06 0.42 -1.00 0.00 0.00 174.74 173.42 2jmr s ILE 144 N -2.49 4.28 -0.25 -5.38 1.09 -0.08 -3.26 121.20 115.10 2jmr s ILE 144 Ca 0.19 -0.19 -0.13 0.00 -1.10 0.00 0.00 60.65 59.42 2jmr s ILE 144 Cb -0.01 -2.99 0.08 0.00 -1.06 0.00 0.00 42.46 38.49 2jmr s ILE 144 CO 0.03 0.36 0.60 0.20 -0.10 0.00 0.00 174.94 176.04 2jmr s ASN 145 N 1.43 -0.84 0.25 3.58 0.01 -1.26 -3.40 114.94 114.70 2jmr s ASN 145 Ca 0.05 1.36 -0.05 0.00 -0.71 0.00 0.00 52.86 53.51 2jmr s ASN 145 Cb -0.15 1.41 0.02 0.00 0.41 0.00 0.00 41.25 42.95 2jmr s ASN 145 CO 0.03 -0.23 0.41 0.00 -1.51 0.00 0.00 177.10 175.81 2jmr n ALA 146 N 4.58 -0.65 -3.53 0.60 0.00 -1.26 -0.86 120.51 119.40 2jmr n ALA 146 Ca -0.18 -0.97 -0.10 0.00 0.00 0.00 0.00 53.44 52.18 2jmr n ALA 146 Cb 0.56 0.78 -0.04 0.00 0.00 0.00 0.00 19.45 20.75 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 -2.56 0.00 -0.00 0.00 -1.32 -1.26 -4.48 115.64 106.02 2jmr s THR 147 Ca 0.15 0.00 -0.18 0.00 -1.21 0.00 0.00 61.69 60.45 2jmr s THR 147 Cb -0.02 -1.00 0.06 0.00 -1.51 0.00 0.00 72.50 70.03 2jmr s THR 147 CO 0.11 0.00 0.83 0.00 -2.21 0.00 0.00 174.62 173.35 2jmr n ALA 148 N 0.23 -2.33 -3.60 11.08 0.00 -1.23 -4.43 120.51 120.22 2jmr n ALA 148 Ca -0.11 -0.54 -0.25 0.00 0.00 0.00 0.00 53.44 52.54 2jmr n ALA 148 Cb 0.60 0.12 -0.17 0.00 0.00 0.00 0.00 19.45 20.00 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 -2.08 1.08 -0.20 0.00 -4.23 0.06 -0.36 115.64 109.92 2jmr s THR 149 Ca 0.19 -0.41 -0.12 0.00 -1.18 0.00 0.00 61.69 60.17 2jmr s THR 149 Cb -0.01 -1.02 -0.05 0.00 1.34 0.00 0.00 72.50 72.77 2jmr s THR 149 CO -0.00 0.35 0.22 0.72 -0.54 0.00 0.00 174.62 175.37 2jmr s PHE 150 N 0.97 3.40 -0.19 3.99 -0.71 -1.13 -1.43 117.98 122.88 2jmr s PHE 150 Ca -0.09 0.42 -0.02 0.00 -1.04 0.00 0.00 56.93 56.20 2jmr s PHE 150 Cb -0.15 -2.28 0.06 0.00 -1.21 0.00 0.00 43.02 39.44 2jmr s PHE 150 CO 0.00 0.19 0.02 0.95 -1.34 0.00 0.00 175.22 175.04 2jmr s THR 151 N 0.65 0.70 0.77 -4.49 -4.23 0.13 -4.64 115.64 104.54 2jmr s THR 151 Ca 0.12 -0.63 -0.12 0.00 -1.18 0.00 0.00 61.69 59.88 2jmr s THR 151 Cb -0.13 -1.14 0.05 0.00 1.34 0.00 0.00 72.50 72.63 2jmr s THR 151 CO 0.02 -0.16 1.13 -0.76 -0.54 0.00 0.00 174.62 174.32 2jmr s LEU 152 N 1.78 2.65 -0.34 4.79 2.01 -1.26 -0.55 118.68 127.75 2jmr s LEU 152 Ca -0.01 0.99 0.04 0.00 0.01 0.00 0.00 54.13 55.15 2jmr s LEU 152 Cb -0.17 -3.61 0.10 0.00 0.01 0.00 0.00 46.19 42.52 2jmr s LEU 152 CO -0.08 -1.71 0.06 -1.61 1.01 0.00 0.00 176.35 174.02 2jmr s GLU 153 N -5.43 1.43 -0.40 1.70 0.41 0.29 -4.35 118.70 112.35 2jmr s GLU 153 Ca 0.60 -1.83 -0.28 0.00 -0.41 0.00 0.00 54.97 53.06 2jmr s GLU 153 Cb -0.12 -3.11 -0.03 0.00 -1.78 0.00 0.00 34.13 29.10 2jmr s GLU 153 CO 0.51 -0.95 1.91 0.71 -0.49 0.00 0.00 175.26 176.95 2jmr s TYR 154 N 0.94 1.65 -0.20 1.61 2.02 -1.26 -1.20 117.35 120.90 2jmr s TYR 154 Ca 0.11 0.74 -0.37 0.00 -0.37 0.00 0.00 57.07 57.18 2jmr s TYR 154 Cb -0.19 -4.05 -0.14 0.00 -0.40 0.00 0.00 41.96 37.18 2jmr s TYR 154 CO -0.09 -2.87 1.83 0.94 -1.57 0.00 0.00 175.55 173.79 2jmr n GLN 155 N 8.68 1.61 -3.64 -0.62 0.00 -1.26 -4.91 117.38 117.25 2jmr n GLN 155 Ca 0.24 0.58 -0.10 0.00 -0.00 0.00 0.00 57.00 57.73 2jmr n GLN 155 Cb 0.49 -2.36 -0.07 0.00 0.00 0.00 0.00 30.24 28.29 2jmr n GLN 155 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.06 177.40 2jmr s ASP 156 N 3.98 -0.83 0.24 1.69 2.15 -1.26 -4.85 116.67 117.79 2jmr s ASP 156 Ca 0.97 1.44 -0.05 0.00 0.43 0.00 0.00 52.55 55.34 2jmr s ASP 156 Cb -0.89 1.40 0.34 0.00 -0.30 0.00 0.00 42.92 43.47 2jmr s ASP 156 CO 0.59 -0.24 1.86 0.78 -0.17 0.00 0.00 175.17 177.99 2jmr h ASN 157 N 6.02 0.86 -1.66 -0.34 2.35 -2.01 -3.38 115.58 117.42 2jmr h ASN 157 Ca -0.29 0.02 -0.49 0.00 -0.55 0.00 0.00 56.30 54.98 2jmr h ASN 157 Cb 1.20 -0.17 -0.06 0.00 0.05 0.00 0.00 38.32 39.34 2jmr h ASN 157 CO 0.11 0.55 1.17 -1.00 -1.65 0.00 0.00 177.43 176.61 2jmr s HIS 158 N -6.06 2.03 -0.96 1.19 3.76 -1.26 -4.80 115.29 109.19 2jmr s HIS 158 Ca -0.13 0.21 0.27 0.00 -0.15 0.00 0.00 55.06 55.26 2jmr s HIS 158 Cb 0.19 -4.35 0.91 0.00 1.11 0.00 0.00 32.58 30.44 2jmr s HIS 158 CO 0.79 -2.06 1.71 0.72 -0.85 0.00 0.00 174.74 175.06 2jmr n HIS 159 N 11.32 0.09 -0.42 1.40 8.25 -1.26 -4.76 115.22 129.83 2jmr n HIS 159 Ca 0.22 0.03 -0.29 0.00 -0.26 0.00 0.00 57.72 57.42 2jmr n HIS 159 Cb 0.50 -0.45 0.27 0.00 1.12 0.00 0.00 29.99 31.43 2jmr n HIS 159 CO 0.00 0.00 0.00 1.58 0.64 0.00 0.00 176.34 178.56 2jmr n HIS 160 N -1.58 -1.98 -1.26 4.41 -0.00 -1.26 -3.80 115.22 109.74 2jmr n HIS 160 Ca 0.06 -0.31 -0.09 0.00 -0.00 0.00 0.00 57.72 57.38 2jmr n HIS 160 Cb 0.35 -1.59 -0.04 0.00 -0.00 0.00 0.00 29.99 28.71 2jmr n HIS 160 CO 0.00 0.00 0.00 -2.39 -0.00 0.00 0.00 176.34 173.95 2jmr n HIS 161 N -5.19 0.00 -1.67 1.57 1.44 -1.26 -4.96 115.22 105.15 2jmr n HIS 161 Ca 0.04 0.00 -0.42 0.00 -2.01 0.00 0.00 57.72 55.33 2jmr n HIS 161 Cb 0.56 -2.39 -0.03 0.00 0.12 0.00 0.00 29.99 28.25 2jmr n HIS 161 CO 0.00 0.00 0.00 -1.01 -2.81 0.00 0.00 176.34 172.52 2jmr s HIS 162 N -1.92 1.37 0.23 -1.40 3.76 -1.25 -4.98 115.29 111.10 2jmr s HIS 162 Ca 0.00 -0.43 -0.17 0.00 -0.15 0.00 0.00 55.06 54.31 2jmr s HIS 162 Cb 0.00 -4.25 0.01 0.00 1.11 0.00 0.00 32.58 29.45 2jmr s HIS 162 CO 0.00 -5.55 0.55 -3.38 -0.85 0.00 0.00 174.74 165.51 2jmr s HIS 163 N 4.25 0.04 0.28 1.40 -3.43 -1.26 -5.14 115.29 111.43 2jmr s HIS 163 Ca 0.88 -0.42 -0.28 0.00 -0.80 0.00 0.00 55.06 54.44 2jmr s HIS 163 Cb -0.43 0.39 -0.14 0.00 -1.43 0.00 0.00 32.58 30.97 2jmr s HIS 163 CO 0.41 -1.02 0.94 1.17 -2.00 0.00 0.00 174.74 174.24 2jmr n LYS 164 N -0.38 1.16 0.00 -0.38 0.00 -1.26 -4.92 118.16 112.37 2jmr n LYS 164 Ca -0.06 0.41 0.00 0.00 0.00 0.00 0.00 58.31 58.66 2jmr n LYS 164 Cb 0.61 -1.72 0.00 0.00 0.00 0.00 0.00 35.03 33.92 2jmr n LYS 164 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.40 178.34 2jmr n GLN 165 N 0.77 0.00 -3.64 1.64 7.27 -1.26 -4.98 117.38 117.18 2jmr n GLN 165 Ca 0.11 0.62 -0.11 0.00 0.07 0.00 0.00 57.00 57.69 2jmr n GLN 165 Cb 0.31 -1.47 -0.01 0.00 2.41 0.00 0.00 30.24 31.48 2jmr n GLN 165 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 2jmr n ALA 166 N -2.21 -0.85 1.13 1.69 0.00 -1.26 -5.07 120.51 113.94 2jmr n ALA 166 Ca 0.00 -1.33 0.12 0.00 0.00 0.00 0.00 53.44 52.23 2jmr n ALA 166 Cb 0.00 1.07 0.26 0.00 0.00 0.00 0.00 19.45 20.78 2jmr n ALA 166 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 2jmr n ASP 167 N -1.59 1.01 -0.94 0.00 8.00 -1.26 -4.83 116.55 116.94 2jmr n ASP 167 Ca -0.03 -0.81 -0.04 0.00 0.71 0.00 0.00 54.79 54.63 2jmr n ASP 167 Cb 0.53 0.28 -0.04 0.00 -0.02 0.00 0.00 41.12 41.87 2jmr n ASP 167 CO 0.00 0.00 0.00 -1.54 -0.39 0.00 0.00 177.20 175.27 2jmr n SER 168 N -0.86 -0.35 -4.64 -2.24 3.41 -1.26 -4.80 113.62 102.88 2jmr n SER 168 Ca 0.09 -0.16 -0.40 0.00 -0.26 0.00 0.00 58.87 58.14 2jmr n SER 168 Cb 0.36 -0.12 -0.06 0.00 -0.26 0.00 0.00 64.21 64.13 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 0.00 5.03 0.24 6.66 2.01 -1.26 -2.84 115.64 125.47 2jmr s THR 169 Ca 0.22 1.08 -0.30 0.00 0.31 0.00 0.00 61.69 63.00 2jmr s THR 169 Cb -0.14 -3.91 -0.09 0.00 0.01 0.00 0.00 72.50 68.38 2jmr s THR 169 CO 0.09 0.08 0.94 -0.51 -0.69 0.00 0.00 174.62 174.54 2jmr s ILE 170 N 2.17 4.08 -0.05 1.82 -1.16 0.51 -3.89 121.20 124.69 2jmr s ILE 170 Ca 0.26 2.08 -0.02 0.00 -0.51 0.00 0.00 60.65 62.46 2jmr s ILE 170 Cb -0.16 -4.32 0.04 0.00 0.61 0.00 0.00 42.46 38.63 2jmr s ILE 170 CO 0.09 0.49 0.10 -0.89 -2.81 0.00 0.00 174.94 171.92 2jmr s THR 171 N -1.13 -0.06 -0.09 4.00 2.01 -1.26 -3.56 115.64 115.54 2jmr s THR 171 Ca 0.41 0.21 0.04 0.00 0.31 0.00 0.00 61.69 62.66 2jmr s THR 171 Cb -0.26 -0.18 0.00 0.00 0.01 0.00 0.00 72.50 72.07 2jmr s THR 171 CO 0.32 0.08 -0.22 -0.63 -0.69 0.00 0.00 174.62 173.49 2jmr s ILE 172 N 1.20 1.86 0.17 1.82 1.01 -1.26 -1.28 121.20 124.72 2jmr s ILE 172 Ca -0.08 -0.91 0.01 0.00 0.00 0.00 0.00 60.65 59.67 2jmr s ILE 172 Cb -0.12 -1.62 -0.04 0.00 0.01 0.00 0.00 42.46 40.69 2jmr s ILE 172 CO -0.05 0.52 0.33 -0.13 0.00 0.00 0.00 174.94 175.61 2jmr s ARG 173 N 0.36 3.47 0.00 2.79 1.81 -0.34 -4.23 118.95 122.82 2jmr s ARG 173 Ca -0.17 -0.51 0.00 0.00 -1.72 0.00 0.00 55.73 53.33 2jmr s ARG 173 Cb -0.17 -2.92 0.00 0.00 -0.45 0.00 0.00 34.95 31.41 2jmr s ARG 173 CO 0.07 0.47 0.00 0.41 -0.68 0.00 0.00 175.30 175.58 2jmr n GLY 174 N -0.62 -2.35 3.04 -3.53 0.00 -1.22 -1.91 105.19 98.59 2jmr n GLY 174 Ca -0.06 -1.25 -0.12 0.00 0.00 0.00 0.00 46.02 44.58 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 -2.26 0.57 -0.28 1.61 6.14 -1.26 -0.90 117.35 120.97 2jmr s TYR 175 Ca 0.00 -0.48 -0.10 0.00 0.64 0.00 0.00 57.07 57.12 2jmr s TYR 175 Cb 0.00 -0.35 -0.04 0.00 0.42 0.00 0.00 41.96 41.99 2jmr s TYR 175 CO 0.00 -0.10 0.17 0.08 0.64 0.00 0.00 175.55 176.34 2jmr s VAL 176 N -1.32 5.09 -0.00 3.14 1.01 -1.26 -1.97 120.40 125.08 2jmr s VAL 176 Ca -0.11 0.04 -0.30 0.00 0.00 0.00 0.00 61.98 61.61 2jmr s VAL 176 Cb -0.10 -3.45 -0.03 0.00 0.00 0.00 0.00 36.38 32.81 2jmr s VAL 176 CO 0.00 0.23 0.98 -0.13 0.00 0.00 0.00 175.10 176.18 2jmr s ARG 177 N 1.72 4.55 0.56 2.72 3.00 -1.05 -4.04 118.95 126.41 2jmr s ARG 177 Ca 0.07 1.42 0.36 0.00 0.00 0.00 0.00 55.73 57.58 2jmr s ARG 177 Cb -0.16 -3.46 1.73 0.00 0.00 0.00 0.00 34.95 33.06 2jmr s ARG 177 CO 0.09 -0.06 2.09 0.38 0.00 0.00 0.00 175.30 177.80 2jmr h ASP 178 N 6.81 0.00 0.00 0.23 3.04 -1.93 0.39 116.42 124.96 2jmr h ASP 178 Ca -0.41 0.00 0.00 0.00 -3.24 0.00 0.00 57.03 53.38 2jmr h ASP 178 Cb 1.22 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 39.51 2jmr h ASP 178 CO 0.75 0.00 0.00 -3.20 -2.04 0.00 0.00 179.24 174.75