#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jmr s ALA 2 N 0.00 2.22 0.64 3.04 0.00 -1.26 -5.16 121.76 121.24 2jmr s ALA 2 Ca 0.00 -1.68 -0.15 0.00 0.00 0.00 0.00 51.96 50.13 2jmr s ALA 2 Cb 0.00 1.13 -0.01 0.00 0.00 0.00 0.00 23.12 24.24 2jmr s ALA 2 CO 0.00 -0.50 1.09 0.34 0.00 0.00 0.00 175.76 176.69 2jmr s ASP 3 N -3.44 5.32 0.12 0.00 -1.08 -1.26 -5.08 116.67 111.26 2jmr s ASP 3 Ca 0.33 1.92 -0.24 0.00 -0.52 0.00 0.00 52.55 54.04 2jmr s ASP 3 Cb 0.03 -2.54 0.07 0.00 -1.46 0.00 0.00 42.92 39.03 2jmr s ASP 3 CO 0.19 -1.48 0.64 -0.44 0.52 0.00 0.00 175.17 174.60 2jmr s SER 4 N -2.73 -0.56 -0.06 -0.34 0.01 -1.26 -5.02 113.70 103.75 2jmr s SER 4 Ca 0.65 0.07 0.12 0.00 1.31 0.00 0.00 55.95 58.10 2jmr s SER 4 Cb -0.19 0.57 0.44 0.00 0.21 0.00 0.00 66.02 67.05 2jmr s SER 4 CO 0.41 -0.90 1.31 0.41 0.41 0.00 0.00 173.24 174.88 2jmr n THR 5 N -0.24 1.02 -4.24 1.44 -1.04 -1.26 -4.62 114.28 105.34 2jmr n THR 5 Ca -0.16 -0.70 -0.17 0.00 -2.04 0.00 0.00 64.05 60.97 2jmr n THR 5 Cb 0.64 0.05 -0.13 0.00 -1.82 0.00 0.00 70.33 69.07 2jmr n THR 5 CO 0.00 0.00 0.00 -0.63 -0.64 0.00 0.00 175.07 173.80 2jmr s ILE 6 N -1.65 0.83 0.00 12.58 1.09 -1.26 -4.34 121.20 128.44 2jmr s ILE 6 Ca 0.31 -0.87 0.00 0.00 -1.10 0.00 0.00 60.65 58.99 2jmr s ILE 6 Cb 0.19 -0.78 0.00 0.00 -1.06 0.00 0.00 42.46 40.81 2jmr s ILE 6 CO 0.16 -0.07 0.00 1.07 -0.10 0.00 0.00 174.94 176.00 2jmr n THR 7 N 1.98 0.00 -0.64 2.92 5.66 -1.26 -5.02 114.28 117.93 2jmr n THR 7 Ca -0.18 0.00 -0.31 0.00 -3.05 0.00 0.00 64.05 60.51 2jmr n THR 7 Cb 0.55 -0.62 0.19 0.00 -1.55 0.00 0.00 70.33 68.90 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 -2.25 0.00 -4.34 1.09 2.08 -1.26 -5.07 119.36 109.60 2jmr n ILE 8 Ca 0.00 -0.22 -0.19 0.00 0.56 0.00 0.00 62.75 62.90 2jmr n ILE 8 Cb 0.28 -0.86 -0.10 0.00 -0.75 0.00 0.00 39.64 38.21 2jmr n ILE 8 CO 0.00 0.00 0.00 -0.13 0.56 0.00 0.00 176.55 176.98 2jmr s ARG 9 N -4.18 1.31 0.00 0.38 3.00 -1.26 -4.78 118.95 113.43 2jmr s ARG 9 Ca 0.64 -1.55 0.00 0.00 0.00 0.00 0.00 55.73 54.82 2jmr s ARG 9 Cb -0.22 -1.16 0.00 0.00 0.00 0.00 0.00 34.95 33.57 2jmr s ARG 9 CO 0.63 0.20 0.00 0.41 0.00 0.00 0.00 175.30 176.55 2jmr n GLY 10 N -0.23 2.65 0.00 -3.53 0.00 -1.26 -4.97 105.19 97.86 2jmr n GLY 10 Ca -0.09 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.93 2jmr n GLY 10 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 173.32 174.90 2jmr n TYR 11 N -1.91 0.00 -3.08 1.61 0.18 -1.26 -4.76 117.16 107.94 2jmr n TYR 11 Ca 0.00 0.00 -0.00 0.00 1.88 0.00 0.00 57.90 59.78 2jmr n TYR 11 Cb 0.00 0.00 -0.00 0.00 -0.38 0.00 0.00 39.34 38.96 2jmr n TYR 11 CO 0.00 0.00 0.00 0.54 -2.08 0.00 0.00 176.86 175.32 2jmr s VAL 12 N 0.00 -0.98 -0.98 -3.48 0.11 -1.26 -5.04 120.40 108.77 2jmr s VAL 12 Ca 0.00 -0.27 -0.14 0.00 -2.93 0.00 0.00 61.98 58.64 2jmr s VAL 12 Cb 0.00 0.00 0.02 0.00 -1.53 0.00 0.00 36.38 34.87 2jmr s VAL 12 CO 0.00 0.00 0.65 -1.14 -3.33 0.00 0.00 175.10 171.28 2jmr n ARG 13 N 4.00 -1.05 0.00 1.54 3.00 -1.26 -4.65 116.66 118.24 2jmr n ARG 13 Ca 0.13 0.53 0.03 0.00 -0.00 0.00 0.00 57.85 58.53 2jmr n ARG 13 Cb 0.57 -2.60 0.13 0.00 0.00 0.00 0.00 32.46 30.56 2jmr n ARG 13 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.63 177.23 2jmr n ASP 14 N -2.43 0.00 0.22 6.15 5.75 -1.26 -2.50 116.55 122.49 2jmr n ASP 14 Ca -0.22 0.29 0.15 0.00 -0.01 0.00 0.00 54.79 55.00 2jmr n ASP 14 Cb 0.63 -0.35 0.66 0.00 -1.03 0.00 0.00 41.12 41.04 2jmr n ASP 14 CO 0.00 0.00 0.00 0.78 -0.11 0.00 0.00 177.20 177.87 2jmr h ASN 15 N 0.00 0.00 -3.81 -1.12 -0.26 -1.86 -2.58 115.58 105.95 2jmr h ASN 15 Ca 0.00 0.00 -0.01 0.00 -0.56 0.00 0.00 56.30 55.73 2jmr h ASN 15 Cb 0.06 0.00 -0.22 0.00 -1.06 0.00 0.00 38.32 37.10 2jmr h ASN 15 CO 0.00 0.00 0.22 -0.83 -1.06 0.00 0.00 177.43 175.76 2jmr s GLY 16 N -3.89 -0.44 1.07 2.83 0.00 -1.04 -4.49 107.32 101.36 2jmr s GLY 16 Ca 0.01 2.19 -0.13 0.00 0.00 0.00 0.00 44.72 46.79 2jmr s GLY 16 CO 0.45 1.75 0.75 0.00 0.00 0.00 0.00 173.10 176.05 2jmr s SER 18 N -2.29 5.66 0.26 0.00 0.01 -0.35 -5.00 113.70 111.99 2jmr s SER 18 Ca 0.64 -0.27 -0.26 0.00 1.31 0.00 0.00 55.95 57.36 2jmr s SER 18 Cb -0.22 -1.29 -0.09 0.00 0.21 0.00 0.00 66.02 64.64 2jmr s SER 18 CO 0.64 -0.24 0.89 -0.69 0.41 0.00 0.00 173.24 174.25 2jmr s VAL 19 N -2.18 4.24 0.64 3.43 1.01 -1.26 -2.44 120.40 123.84 2jmr s VAL 19 Ca 0.38 1.81 -0.13 0.00 0.00 0.00 0.00 61.98 64.04 2jmr s VAL 19 Cb -0.08 -4.10 -0.02 0.00 0.00 0.00 0.00 36.38 32.18 2jmr s VAL 19 CO 0.27 0.31 1.05 0.00 0.00 0.00 0.00 175.10 176.73 2jmr s ALA 20 N -1.41 2.80 0.23 5.51 0.00 -1.14 -4.72 121.76 123.04 2jmr s ALA 20 Ca 0.44 0.15 -0.07 0.00 0.00 0.00 0.00 51.96 52.49 2jmr s ALA 20 Cb -0.21 -3.17 0.30 0.00 0.00 0.00 0.00 23.12 20.04 2jmr s ALA 20 CO 0.26 -0.92 1.83 0.00 0.00 0.00 0.00 175.76 176.93 2jmr h ALA 21 N -0.16 1.08 0.00 0.00 0.00 -1.92 0.18 119.26 118.43 2jmr h ALA 21 Ca -0.45 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.46 2jmr h ALA 21 Cb 1.21 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 18.81 2jmr h ALA 21 CO 0.58 0.19 0.00 -0.85 0.00 0.00 0.00 179.25 179.17 2jmr n GLU 22 N -4.69 0.02 0.00 0.00 0.28 -1.26 -1.66 120.64 113.33 2jmr n GLU 22 Ca 0.11 0.31 0.00 0.00 -0.16 0.00 0.00 57.16 57.43 2jmr n GLU 22 Cb 0.18 -1.50 0.00 0.00 1.43 0.00 0.00 31.44 31.55 2jmr n GLU 22 CO 0.00 0.00 0.00 -1.13 -0.16 0.00 0.00 177.13 175.84 2jmr n SER 23 N -1.47 3.91 -0.11 -1.84 3.41 -0.80 -4.51 113.62 112.20 2jmr n SER 23 Ca 0.03 0.00 -0.13 0.00 -0.26 0.00 0.00 58.87 58.51 2jmr n SER 23 Cb 0.11 0.64 -0.02 0.00 -0.26 0.00 0.00 64.21 64.69 2jmr n SER 23 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2jmr h THR 24 N 0.00 1.27 -2.84 6.66 1.03 -0.94 -3.41 112.91 114.69 2jmr h THR 24 Ca 0.00 -1.57 -0.61 0.00 -0.01 0.00 0.00 66.41 64.22 2jmr h THR 24 Cb 0.28 1.39 -0.40 0.00 -1.07 0.00 0.00 68.15 68.34 2jmr h THR 24 CO 0.00 0.52 -0.72 0.21 -0.01 0.00 0.00 175.52 175.52 2jmr s ASN 25 N -6.85 3.59 0.01 0.00 3.84 -0.67 -2.66 114.94 112.21 2jmr s ASN 25 Ca -0.11 -3.50 0.00 0.00 0.21 0.00 0.00 52.86 49.47 2jmr s ASN 25 Cb 0.11 -1.19 -0.00 0.00 -0.55 0.00 0.00 41.25 39.62 2jmr s ASN 25 CO 0.88 -0.13 0.02 2.22 -2.79 0.00 0.00 177.10 177.30 2jmr n PHE 26 N 2.38 -0.17 -4.36 0.43 -1.74 -1.26 -4.68 117.46 108.06 2jmr n PHE 26 Ca 0.22 -0.12 -0.19 0.00 -0.56 0.00 0.00 57.45 56.80 2jmr n PHE 26 Cb 0.39 0.02 -0.15 0.00 1.52 0.00 0.00 39.48 41.26 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 -2.17 0.71 -0.24 1.97 2.01 -1.26 -4.36 115.64 112.30 2jmr s THR 27 Ca 0.02 -0.37 -0.14 0.00 0.31 0.00 0.00 61.69 61.51 2jmr s THR 27 Cb 0.00 -0.61 -0.04 0.00 0.01 0.00 0.00 72.50 71.86 2jmr s THR 27 CO 0.01 0.21 0.32 -0.69 -0.69 0.00 0.00 174.62 173.78 2jmr s VAL 28 N -0.08 5.24 -0.16 3.82 1.01 -0.44 -5.02 120.40 124.76 2jmr s VAL 28 Ca 0.01 0.50 -0.29 0.00 0.00 0.00 0.00 61.98 62.20 2jmr s VAL 28 Cb -0.05 -3.65 -0.00 0.00 0.00 0.00 0.00 36.38 32.68 2jmr s VAL 28 CO -0.00 0.24 1.08 -0.62 0.00 0.00 0.00 175.10 175.80 2jmr s ASP 29 N 1.28 7.12 -0.74 3.32 2.15 -1.26 -1.49 116.67 127.05 2jmr s ASP 29 Ca 0.14 1.52 -0.01 0.00 0.43 0.00 0.00 52.55 54.63 2jmr s ASP 29 Cb -0.15 -2.55 0.18 0.00 -0.30 0.00 0.00 42.92 40.11 2jmr s ASP 29 CO 0.08 -0.60 0.57 -0.22 -0.17 0.00 0.00 175.17 174.83 2jmr s LEU 30 N 2.76 5.22 0.00 -1.34 2.96 -0.06 -4.92 118.68 123.30 2jmr s LEU 30 Ca 0.48 -3.38 0.00 0.00 -0.22 0.00 0.00 54.13 51.01 2jmr s LEU 30 Cb -0.18 -1.82 0.00 0.00 0.50 0.00 0.00 46.19 44.69 2jmr s LEU 30 CO 0.13 -0.24 0.25 1.15 -1.32 0.00 0.00 176.35 176.32 2jmr n MET 31 N 2.74 0.00 -3.87 1.98 0.00 -1.26 -4.15 117.12 112.56 2jmr n MET 31 Ca 0.15 0.25 -0.08 0.00 0.00 0.00 0.00 57.70 58.02 2jmr n MET 31 Cb 0.37 -0.45 -0.03 0.00 0.00 0.00 0.00 33.22 33.10 2jmr n MET 31 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 175.97 173.97 2jmr s GLU 32 N -1.50 1.66 0.18 3.17 2.12 -1.26 -4.76 118.70 118.31 2jmr s GLU 32 Ca 0.00 -1.03 0.11 0.00 0.36 0.00 0.00 54.97 54.42 2jmr s GLU 32 Cb 0.00 0.56 -0.04 0.00 0.26 0.00 0.00 34.13 34.91 2jmr s GLU 32 CO 0.00 -0.74 -0.25 -0.80 -0.54 0.00 0.00 175.26 172.94 2jmr s ASN 33 N -2.93 3.40 0.30 -1.70 -0.87 -0.24 -4.95 114.94 107.94 2jmr s ASN 33 Ca 0.13 -0.84 -0.08 0.00 -1.57 0.00 0.00 52.86 50.51 2jmr s ASN 33 Cb -0.04 -0.25 -0.06 0.00 -0.02 0.00 0.00 41.25 40.89 2jmr s ASN 33 CO 0.06 0.13 0.60 0.00 -2.57 0.00 0.00 177.10 175.32 2jmr s ALA 34 N -1.55 3.54 -0.04 0.60 0.00 -1.26 -0.29 121.76 122.76 2jmr s ALA 34 Ca 0.19 -0.39 -0.23 0.00 0.00 0.00 0.00 51.96 51.53 2jmr s ALA 34 Cb -0.08 -2.43 -0.17 0.00 0.00 0.00 0.00 23.12 20.43 2jmr s ALA 34 CO 0.09 0.26 1.00 0.00 0.00 0.00 0.00 175.76 177.11 2jmr h ALA 35 N 1.83 -0.20 0.00 0.00 0.00 -0.72 -3.40 119.26 116.77 2jmr h ALA 35 Ca -0.47 -0.23 -0.01 0.00 0.00 0.00 0.00 54.91 54.20 2jmr h ALA 35 Cb 1.18 0.08 -0.00 0.00 0.00 0.00 0.00 17.79 19.05 2jmr h ALA 35 CO 0.66 -0.33 -0.03 1.57 0.00 0.00 0.00 179.25 181.13 2jmr h LYS 36 N -0.78 0.00 0.00 0.00 5.09 -1.75 -2.02 116.57 117.11 2jmr h LYS 36 Ca -0.02 0.00 0.00 0.00 0.09 0.00 0.00 60.65 60.72 2jmr h LYS 36 Cb 0.53 0.00 0.00 0.00 0.10 0.00 0.00 32.23 32.86 2jmr h LYS 36 CO 0.03 0.03 0.00 0.00 -2.09 0.00 0.00 179.45 177.43 2jmr n GLN 37 N -3.15 0.14 -3.73 0.07 10.64 -1.26 -4.38 117.38 115.71 2jmr n GLN 37 Ca 0.00 0.19 -0.33 0.00 -1.83 0.00 0.00 57.00 55.03 2jmr n GLN 37 Cb 0.29 -1.50 -0.08 0.00 -0.86 0.00 0.00 30.24 28.09 2jmr n GLN 37 CO 0.00 0.00 0.00 -0.06 -1.83 0.00 0.00 177.06 175.17 2jmr s PHE 38 N -2.61 3.76 -0.14 2.61 0.08 -0.76 -4.88 117.98 116.04 2jmr s PHE 38 Ca 0.10 -3.12 0.16 0.00 0.12 0.00 0.00 56.93 54.19 2jmr s PHE 38 Cb 0.07 -3.07 0.43 0.00 -0.57 0.00 0.00 43.02 39.88 2jmr s PHE 38 CO 0.17 -0.68 1.20 0.27 -0.10 0.00 0.00 175.22 176.08 2jmr n ASN 39 N 2.29 1.60 0.00 1.36 6.94 -1.26 -4.53 115.26 121.66 2jmr n ASN 39 Ca 0.20 -3.23 0.00 0.00 -0.02 0.00 0.00 54.58 51.53 2jmr n ASN 39 Cb 0.36 -0.44 0.00 0.00 -2.36 0.00 0.00 39.78 37.34 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 -0.55 0.00 0.16 0.53 6.94 -1.26 -4.95 115.26 116.12 2jmr n ASN 40 Ca 0.15 0.00 0.13 0.00 -0.02 0.00 0.00 54.58 54.84 2jmr n ASN 40 Cb 0.86 0.00 0.31 0.00 -2.36 0.00 0.00 39.78 38.59 2jmr n ASN 40 CO 0.00 0.00 0.00 0.40 -1.03 0.00 0.00 177.26 176.63 2jmr h ILE 41 N 0.51 0.00 0.00 1.53 5.03 -1.82 -1.55 117.51 121.22 2jmr h ILE 41 Ca 0.00 -0.69 0.00 0.00 -0.12 0.00 0.00 64.86 64.05 2jmr h ILE 41 Cb 0.00 1.69 0.00 0.00 -3.03 0.00 0.00 36.82 35.48 2jmr h ILE 41 CO 0.00 0.00 0.00 0.61 -0.68 0.00 0.00 178.15 178.08 2jmr n GLY 42 N 1.16 -0.83 3.56 5.37 0.00 -1.26 -4.56 105.19 108.63 2jmr n GLY 42 Ca 0.05 -0.14 -0.35 0.00 0.00 0.00 0.00 46.02 45.58 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 -2.00 2.19 -0.19 4.61 0.00 -0.59 -4.92 121.76 120.86 2jmr s ALA 43 Ca 0.34 -1.52 0.01 0.00 0.00 0.00 0.00 51.96 50.79 2jmr s ALA 43 Cb 0.16 -4.46 0.02 0.00 0.00 0.00 0.00 23.12 18.84 2jmr s ALA 43 CO 0.26 -4.11 -0.17 0.99 0.00 0.00 0.00 175.76 172.73 2jmr s THR 44 N 7.95 2.22 1.32 0.00 2.01 -1.26 -2.82 115.64 125.05 2jmr s THR 44 Ca 0.58 -0.98 -0.21 0.00 0.31 0.00 0.00 61.69 61.39 2jmr s THR 44 Cb -0.06 -1.99 0.33 0.00 0.01 0.00 0.00 72.50 70.79 2jmr s THR 44 CO 0.03 0.46 1.01 0.42 -0.69 0.00 0.00 174.62 175.85 2jmr s THR 45 N 1.29 1.39 -0.36 -0.82 -4.23 -1.26 -4.93 115.64 106.73 2jmr s THR 45 Ca 0.03 0.00 -0.28 0.00 -1.18 0.00 0.00 61.69 60.26 2jmr s THR 45 Cb -0.14 -2.26 -0.01 0.00 1.34 0.00 0.00 72.50 71.43 2jmr s THR 45 CO -0.11 0.00 1.67 -2.16 -0.54 0.00 0.00 174.62 173.48 2jmr s PRO 46 N -5.23 3.41 0.84 3.99 0.04 -1.26 -4.98 135.00 131.81 2jmr s PRO 46 Ca 0.70 1.25 -0.11 0.00 0.04 0.00 0.00 61.00 62.88 2jmr s PRO 46 Cb -0.12 -4.14 0.10 0.00 0.04 0.00 0.00 34.50 30.38 2jmr s PRO 46 CO 0.57 -1.76 1.14 0.54 0.04 0.00 0.00 177.00 177.53 2jmr s VAL 47 N 6.40 2.45 0.01 -0.36 0.11 -1.26 -4.96 120.40 122.78 2jmr s VAL 47 Ca 0.73 0.16 0.02 0.00 -2.93 0.00 0.00 61.98 59.97 2jmr s VAL 47 Cb -0.19 -2.42 -0.04 0.00 -1.53 0.00 0.00 36.38 32.20 2jmr s VAL 47 CO 0.33 -0.17 -0.02 0.54 -3.33 0.00 0.00 175.10 172.45 2jmr s VAL 48 N -2.57 4.00 0.53 2.04 0.11 -0.87 -4.97 120.40 118.66 2jmr s VAL 48 Ca 0.67 -0.68 -0.20 0.00 -2.93 0.00 0.00 61.98 58.84 2jmr s VAL 48 Cb -0.23 -2.78 -0.07 0.00 -1.53 0.00 0.00 36.38 31.78 2jmr s VAL 48 CO 0.54 0.36 1.10 -2.16 -3.33 0.00 0.00 175.10 171.62 2jmr s PRO 49 N -1.58 3.48 0.02 1.54 0.04 -1.26 -0.61 135.00 136.63 2jmr s PRO 49 Ca 0.19 1.53 -0.05 0.00 0.04 0.00 0.00 61.00 62.71 2jmr s PRO 49 Cb -0.11 -2.03 -0.01 0.00 0.04 0.00 0.00 34.50 32.39 2jmr s PRO 49 CO 0.10 -0.73 0.09 0.12 0.04 0.00 0.00 177.00 176.62 2jmr s PHE 50 N -1.84 0.16 0.22 0.56 5.36 0.10 -4.67 117.98 117.87 2jmr s PHE 50 Ca 0.71 -0.39 -0.13 0.00 -0.96 0.00 0.00 56.93 56.16 2jmr s PHE 50 Cb -0.22 -0.12 -0.00 0.00 -0.34 0.00 0.00 43.02 42.34 2jmr s PHE 50 CO 0.25 -0.31 0.45 -0.98 -1.46 0.00 0.00 175.22 173.17 2jmr s ARG 51 N -2.05 1.45 -0.24 10.12 1.04 -1.26 -0.77 118.95 127.24 2jmr s ARG 51 Ca -0.10 -1.18 -0.04 0.00 -1.04 0.00 0.00 55.73 53.37 2jmr s ARG 51 Cb -0.04 0.46 0.00 0.00 -2.04 0.00 0.00 34.95 33.33 2jmr s ARG 51 CO -0.02 -0.60 -0.02 0.42 -0.04 0.00 0.00 175.30 175.04 2jmr s ILE 52 N -3.99 3.41 -0.10 4.99 1.01 -1.26 -5.02 121.20 120.25 2jmr s ILE 52 Ca 0.20 -0.62 -0.30 0.00 0.00 0.00 0.00 60.65 59.93 2jmr s ILE 52 Cb -0.00 -2.62 -0.02 0.00 0.01 0.00 0.00 42.46 39.83 2jmr s ILE 52 CO 0.06 0.32 1.15 -0.22 0.00 0.00 0.00 174.94 176.24 2jmr s LEU 53 N 1.46 4.24 -0.33 2.97 1.98 -1.26 -4.43 118.68 123.31 2jmr s LEU 53 Ca 0.04 1.69 -0.08 0.00 -2.89 0.00 0.00 54.13 52.89 2jmr s LEU 53 Cb -0.15 -3.55 0.01 0.00 0.66 0.00 0.00 46.19 43.16 2jmr s LEU 53 CO -0.02 -0.58 0.13 -0.76 -1.89 0.00 0.00 176.35 173.23 2jmr s LEU 54 N 2.42 4.20 0.15 -0.68 2.01 0.04 -3.04 118.68 123.79 2jmr s LEU 54 Ca 0.53 -0.80 -0.23 0.00 0.01 0.00 0.00 54.13 53.64 2jmr s LEU 54 Cb -0.22 -1.95 0.07 0.00 0.01 0.00 0.00 46.19 44.11 2jmr s LEU 54 CO 0.19 -0.26 0.60 -0.94 1.01 0.00 0.00 176.35 176.94 2jmr s SER 55 N 1.53 -0.57 1.04 2.29 1.04 -1.02 -2.45 113.70 115.56 2jmr s SER 55 Ca 0.02 0.01 -0.12 0.00 0.48 0.00 0.00 55.95 56.35 2jmr s SER 55 Cb -0.18 0.60 0.21 0.00 0.10 0.00 0.00 66.02 66.75 2jmr s SER 55 CO 0.05 -0.96 1.07 -2.16 0.98 0.00 0.00 173.24 172.22 2jmr s PRO 56 N -3.69 0.08 0.28 4.02 0.04 -1.26 -2.87 135.00 131.59 2jmr s PRO 56 Ca 0.01 0.98 0.02 0.00 0.04 0.00 0.00 61.00 62.05 2jmr s PRO 56 Cb -0.01 -1.66 -0.05 0.00 0.04 0.00 0.00 34.50 32.82 2jmr s PRO 56 CO -0.12 -3.09 0.10 0.00 0.04 0.00 0.00 177.00 173.92 2jmr n GLY 58 N -0.53 7.32 0.57 0.00 0.00 -1.26 -3.98 105.19 107.31 2jmr n GLY 58 Ca -0.00 -1.92 0.06 0.00 0.00 0.00 0.00 46.02 44.16 2jmr n GLY 58 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 2jmr n ASN 59 N 0.00 1.75 -3.17 1.61 6.94 -1.25 -0.89 115.26 120.25 2jmr n ASN 59 Ca 0.00 -3.76 -0.22 0.00 -0.02 0.00 0.00 54.58 50.58 2jmr n ASN 59 Cb 0.00 -0.51 -0.05 0.00 -2.36 0.00 0.00 39.78 36.86 2jmr n ASN 59 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 2jmr n ALA 60 N -1.11 2.16 -2.70 -2.53 0.00 -0.97 -4.98 120.51 110.38 2jmr n ALA 60 Ca 0.18 -3.32 -0.23 0.00 0.00 0.00 0.00 53.44 50.08 2jmr n ALA 60 Cb 0.70 -0.86 -0.15 0.00 0.00 0.00 0.00 19.45 19.13 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 -1.46 1.15 0.00 0.00 -7.23 -1.26 -3.91 120.40 107.68 2jmr s VAL 61 Ca 0.36 -0.60 0.00 0.00 -1.81 0.00 0.00 61.98 59.93 2jmr s VAL 61 Cb 0.22 -0.97 0.00 0.00 0.56 0.00 0.00 36.38 36.19 2jmr s VAL 61 CO -0.10 0.33 0.00 -1.20 -0.31 0.00 0.00 175.10 173.81 2jmr n SER 62 N 2.90 0.00 -2.66 4.85 7.64 -1.26 -4.78 113.62 120.30 2jmr n SER 62 Ca -0.16 0.00 -0.10 0.00 1.01 0.00 0.00 58.87 59.62 2jmr n SER 62 Cb 0.54 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.74 2jmr n SER 62 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2jmr n ALA 63 N -2.14 -0.95 -3.78 -0.43 0.00 -1.26 -3.69 120.51 108.26 2jmr n ALA 63 Ca 0.00 -1.27 -0.23 0.00 0.00 0.00 0.00 53.44 51.94 2jmr n ALA 63 Cb 0.00 1.02 0.00 0.00 0.00 0.00 0.00 19.45 20.47 2jmr n ALA 63 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.50 178.83 2jmr n VAL 64 N -0.49 0.00 -4.63 0.00 0.24 -1.26 -2.47 118.33 109.72 2jmr n VAL 64 Ca -0.04 -1.76 -0.25 0.00 -2.04 0.00 0.00 64.34 60.26 2jmr n VAL 64 Cb 0.52 -0.14 -0.14 0.00 -1.47 0.00 0.00 33.84 32.61 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 -3.84 1.33 -1.04 7.34 3.01 -1.13 -4.53 119.74 120.87 2jmr s LYS 65 Ca 0.26 -0.88 -0.04 0.00 -1.01 0.00 0.00 55.97 54.30 2jmr s LYS 65 Cb -0.02 -1.41 0.29 0.00 -1.01 0.00 0.00 37.83 35.68 2jmr s LYS 65 CO 0.17 0.36 1.24 1.55 0.51 0.00 0.00 175.35 179.18 2jmr n VAL 66 N 1.95 4.63 -2.11 3.17 3.14 -1.26 -0.80 118.33 127.05 2jmr n VAL 66 Ca -0.17 -5.63 -0.33 0.00 -2.96 0.00 0.00 64.34 55.25 2jmr n VAL 66 Cb 0.54 -2.26 -0.04 0.00 -1.06 0.00 0.00 33.84 31.01 2jmr n VAL 66 CO 0.00 0.00 0.00 -0.83 -6.46 0.00 0.00 176.83 169.54 2jmr s GLY 67 N -0.76 0.30 -0.16 7.55 0.00 0.06 -4.73 107.32 109.58 2jmr s GLY 67 Ca 0.31 -1.25 -0.29 0.00 0.00 0.00 0.00 44.72 43.49 2jmr s GLY 67 CO 0.02 3.36 1.05 -1.36 0.00 0.00 0.00 173.10 176.17 2jmr s PHE 68 N 9.12 3.38 0.08 1.90 0.08 -1.26 -0.75 117.98 130.53 2jmr s PHE 68 Ca 0.65 1.49 0.04 0.00 0.12 0.00 0.00 56.93 59.23 2jmr s PHE 68 Cb -0.08 -3.25 -0.03 0.00 -0.57 0.00 0.00 43.02 39.08 2jmr s PHE 68 CO 0.07 -0.48 -0.10 0.95 -0.10 0.00 0.00 175.22 175.55 2jmr s THR 69 N 2.60 0.88 0.00 0.64 -4.23 -0.94 -2.51 115.64 112.08 2jmr s THR 69 Ca 0.47 -1.45 0.00 0.00 -1.18 0.00 0.00 61.69 59.53 2jmr s THR 69 Cb -0.18 -1.14 0.00 0.00 1.34 0.00 0.00 72.50 72.53 2jmr s THR 69 CO 0.13 -0.46 0.00 0.61 -0.54 0.00 0.00 174.62 174.36 2jmr n GLY 70 N 0.90 0.07 2.95 3.99 0.00 -1.26 -0.87 105.19 110.96 2jmr n GLY 70 Ca -0.19 0.52 -0.22 0.00 0.00 0.00 0.00 46.02 46.13 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 2.07 0.80 -0.13 1.61 1.01 -1.26 -5.02 120.40 119.48 2jmr s VAL 71 Ca 0.00 -0.27 -0.17 0.00 0.00 0.00 0.00 61.98 61.54 2jmr s VAL 71 Cb 0.00 -0.77 -0.04 0.00 0.00 0.00 0.00 36.38 35.56 2jmr s VAL 71 CO 0.00 0.28 0.43 0.00 0.00 0.00 0.00 175.10 175.81 2jmr s ALA 72 N 0.84 3.51 0.35 5.51 0.00 -1.26 -0.38 121.76 130.33 2jmr s ALA 72 Ca -0.12 -0.27 -0.29 0.00 0.00 0.00 0.00 51.96 51.29 2jmr s ALA 72 Cb -0.15 -2.59 -0.11 0.00 0.00 0.00 0.00 23.12 20.28 2jmr s ALA 72 CO 0.01 0.01 1.49 0.34 0.00 0.00 0.00 175.76 177.61 2jmr s ASP 73 N 0.61 6.41 0.50 0.00 2.15 -0.12 -4.70 116.67 121.52 2jmr s ASP 73 Ca 0.23 2.97 0.16 0.00 0.43 0.00 0.00 52.55 56.34 2jmr s ASP 73 Cb -0.15 -2.66 1.20 0.00 -0.30 0.00 0.00 42.92 41.02 2jmr s ASP 73 CO 0.09 -0.84 2.10 -1.28 -0.17 0.00 0.00 175.17 175.06 2jmr h SER 74 N 3.58 0.00 0.14 -0.34 0.87 -1.95 -2.19 113.55 113.65 2jmr h SER 74 Ca -0.49 0.00 -0.01 0.00 -1.23 0.00 0.00 61.79 60.06 2jmr h SER 74 Cb 1.23 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.19 2jmr h SER 74 CO 0.69 0.07 -0.07 0.45 -0.53 0.00 0.00 176.83 177.44 2jmr h HIS 75 N 0.00 -0.17 -3.09 2.24 3.86 -1.95 -3.43 115.15 112.61 2jmr h HIS 75 Ca -0.00 -0.00 -0.60 0.00 -1.16 0.00 0.00 60.37 58.61 2jmr h HIS 75 Cb 0.12 0.06 -0.40 0.00 1.06 0.00 0.00 27.41 28.25 2jmr h HIS 75 CO 0.00 0.10 -0.75 -0.80 0.86 0.00 0.00 177.93 177.34 2jmr s ASN 76 N -5.46 3.86 0.60 2.45 0.02 -1.17 -5.00 114.94 110.24 2jmr s ASN 76 Ca -0.07 -2.14 0.31 0.00 -1.02 0.00 0.00 52.86 49.94 2jmr s ASN 76 Cb -0.00 -0.97 1.88 0.00 0.02 0.00 0.00 41.25 42.18 2jmr s ASN 76 CO 0.25 -0.34 2.26 0.00 0.02 0.00 0.00 177.10 179.29 2jmr h ALA 77 N 7.40 1.49 0.00 0.60 0.00 -1.68 -0.75 119.26 126.32 2jmr h ALA 77 Ca -0.07 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.84 2jmr h ALA 77 Cb 0.97 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.76 2jmr h ALA 77 CO 0.47 -0.01 0.01 0.09 0.00 0.00 0.00 179.25 179.80 2jmr n ASN 78 N -3.77 0.24 -4.51 0.00 4.13 -1.26 -4.14 115.26 105.94 2jmr n ASN 78 Ca -0.03 0.61 -0.32 0.00 1.68 0.00 0.00 54.58 56.52 2jmr n ASN 78 Cb 0.09 -0.64 -0.12 0.00 -1.54 0.00 0.00 39.78 37.57 2jmr n ASN 78 CO 0.00 0.00 0.00 -0.76 0.28 0.00 0.00 177.26 176.78 2jmr s LEU 79 N -3.65 2.84 -0.13 3.41 2.01 -0.29 -4.30 118.68 118.57 2jmr s LEU 79 Ca -0.01 -0.26 -0.29 0.00 0.01 0.00 0.00 54.13 53.57 2jmr s LEU 79 Cb 0.03 -1.63 -0.02 0.00 0.01 0.00 0.00 46.19 44.57 2jmr s LEU 79 CO 0.09 0.29 1.25 -0.22 1.01 0.00 0.00 176.35 178.77 2jmr s LEU 80 N -1.23 4.22 -0.13 1.79 0.20 -0.27 -0.95 118.68 122.32 2jmr s LEU 80 Ca 0.15 1.74 -0.29 0.00 0.69 0.00 0.00 54.13 56.42 2jmr s LEU 80 Cb -0.11 -3.54 -0.04 0.00 -0.43 0.00 0.00 46.19 42.07 2jmr s LEU 80 CO 0.05 -0.70 1.65 0.00 -0.29 0.00 0.00 176.35 177.05 2jmr s ALA 81 N 3.06 3.45 1.15 5.97 0.00 0.49 -0.55 121.76 135.34 2jmr s ALA 81 Ca 0.55 0.74 -0.16 0.00 0.00 0.00 0.00 51.96 53.09 2jmr s ALA 81 Cb -0.23 -3.80 0.25 0.00 0.00 0.00 0.00 23.12 19.35 2jmr s ALA 81 CO 0.17 -1.66 0.56 1.47 0.00 0.00 0.00 175.76 176.30 2jmr n LEU 82 N 7.82 -0.90 0.18 0.00 -0.00 -1.26 -4.49 117.00 118.35 2jmr n LEU 82 Ca 0.18 -0.57 0.07 0.00 -0.00 0.00 0.00 56.01 55.69 2jmr n LEU 82 Cb 0.44 -0.84 0.38 0.00 -0.00 0.00 0.00 43.42 43.40 2jmr n LEU 82 CO 0.63 -3.74 0.83 1.05 -0.00 0.00 0.00 177.39 176.17 2jmr h GLU 83 N -3.08 0.00 -6.23 1.47 4.11 -1.11 -3.45 114.58 106.28 2jmr h GLU 83 Ca -0.27 0.00 -0.46 0.00 0.07 0.00 0.00 59.36 58.70 2jmr h GLU 83 Cb 0.90 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.14 2jmr h GLU 83 CO 0.16 0.00 -0.79 -1.71 0.07 0.00 0.00 179.01 176.75 2jmr n ASN 84 N -2.13 -3.38 -4.86 3.06 2.85 -1.26 -4.99 115.26 104.54 2jmr n ASN 84 Ca -0.01 -0.80 -0.21 0.00 -0.11 0.00 0.00 54.58 53.45 2jmr n ASN 84 Cb 0.36 -3.92 -0.03 0.00 1.24 0.00 0.00 39.78 37.43 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 -3.46 3.40 0.19 -0.44 -1.32 -1.26 -5.01 115.64 107.74 2jmr s THR 85 Ca 0.41 -1.35 -0.16 0.00 -1.21 0.00 0.00 61.69 59.38 2jmr s THR 85 Cb -0.20 -3.16 0.16 0.00 -1.51 0.00 0.00 72.50 67.78 2jmr s THR 85 CO 0.83 -0.14 1.65 1.62 -2.21 0.00 0.00 174.62 176.36 2jmr h VAL 86 N 1.19 0.47 -0.06 5.08 3.04 -1.99 -0.89 116.25 123.10 2jmr h VAL 86 Ca -0.44 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.25 2jmr h VAL 86 Cb 1.26 0.47 0.00 0.00 -2.01 0.00 0.00 31.29 31.01 2jmr h VAL 86 CO 0.58 0.00 0.00 -1.20 -1.01 0.00 0.00 177.57 175.94 2jmr n SER 87 N -5.37 0.54 -4.92 3.17 7.64 -1.26 -4.75 113.62 108.66 2jmr n SER 87 Ca 0.05 -1.60 -0.26 0.00 1.01 0.00 0.00 58.87 58.06 2jmr n SER 87 Cb 0.27 -0.04 -0.01 0.00 -1.01 0.00 0.00 64.21 63.42 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 -1.92 3.58 0.52 -0.43 0.00 -0.34 -1.10 121.76 122.06 2jmr s ALA 88 Ca 0.25 -0.68 -0.20 0.00 0.00 0.00 0.00 51.96 51.33 2jmr s ALA 88 Cb 0.12 -2.32 -0.07 0.00 0.00 0.00 0.00 23.12 20.86 2jmr s ALA 88 CO 0.20 -0.07 1.10 0.00 0.00 0.00 0.00 175.76 176.99 2jmr s ALA 89 N -2.40 2.77 0.63 0.00 0.00 -1.23 -4.56 121.76 116.97 2jmr s ALA 89 Ca 0.43 0.76 -0.08 0.00 0.00 0.00 0.00 51.96 53.08 2jmr s ALA 89 Cb -0.10 -3.33 0.01 0.00 0.00 0.00 0.00 23.12 19.70 2jmr s ALA 89 CO 0.37 -0.61 0.97 -1.12 0.00 0.00 0.00 175.76 175.37 2jmr s SER 90 N -1.81 5.54 -1.08 0.00 0.01 -1.24 -4.51 113.70 110.60 2jmr s SER 90 Ca 0.70 0.85 0.00 0.00 1.31 0.00 0.00 55.95 58.81 2jmr s SER 90 Cb -0.22 -1.78 0.00 0.00 0.21 0.00 0.00 66.02 64.24 2jmr s SER 90 CO 0.25 -1.16 0.00 0.61 0.41 0.00 0.00 173.24 173.35 2jmr n GLY 91 N -2.72 0.28 2.81 3.44 0.00 -1.26 -4.76 105.19 102.98 2jmr n GLY 91 Ca 0.05 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.77 2jmr n GLY 91 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2jmr s LEU 92 N -4.54 2.93 -0.11 0.99 1.43 -1.26 -0.81 118.68 117.30 2jmr s LEU 92 Ca 0.00 -1.83 -0.04 0.00 -1.03 0.00 0.00 54.13 51.22 2jmr s LEU 92 Cb 0.00 -1.08 -0.04 0.00 0.03 0.00 0.00 46.19 45.11 2jmr s LEU 92 CO 0.00 -0.40 0.06 -0.83 0.23 0.00 0.00 176.35 175.41 2jmr s GLY 93 N 1.36 1.97 0.21 -3.19 0.00 -0.89 -4.70 107.32 102.07 2jmr s GLY 93 Ca 0.11 -0.74 -0.31 0.00 0.00 0.00 0.00 44.72 43.78 2jmr s GLY 93 CO -0.19 -0.41 1.49 -0.42 0.00 0.00 0.00 173.10 173.56 2jmr s ILE 94 N -0.75 2.69 -0.17 0.90 -1.09 0.29 -0.53 121.20 122.53 2jmr s ILE 94 Ca 0.12 0.54 0.01 0.00 -2.23 0.00 0.00 60.65 59.09 2jmr s ILE 94 Cb -0.12 -3.34 0.02 0.00 -1.58 0.00 0.00 42.46 37.44 2jmr s ILE 94 CO 0.03 0.07 -0.20 -1.58 -1.23 0.00 0.00 174.94 172.03 2jmr s GLN 95 N 0.33 3.02 -0.29 2.79 0.74 -0.21 -1.11 119.66 124.93 2jmr s GLN 95 Ca 0.64 -0.82 0.00 0.00 0.05 0.00 0.00 55.36 55.23 2jmr s GLN 95 Cb -0.42 -2.56 0.09 0.00 1.10 0.00 0.00 33.01 31.21 2jmr s GLN 95 CO 0.38 -0.16 0.06 -0.51 -0.55 0.00 0.00 175.29 174.50 2jmr s LEU 96 N 1.18 2.63 0.23 3.68 1.02 -1.26 -0.75 118.68 125.42 2jmr s LEU 96 Ca 0.02 -1.58 0.08 0.00 0.02 0.00 0.00 54.13 52.68 2jmr s LEU 96 Cb -0.14 -1.02 -0.04 0.00 0.02 0.00 0.00 46.19 45.01 2jmr s LEU 96 CO -0.10 -0.37 0.03 -0.76 0.02 0.00 0.00 176.35 175.17 2jmr s LEU 97 N 1.48 3.33 0.91 1.79 1.02 0.46 -4.04 118.68 123.63 2jmr s LEU 97 Ca 0.06 -0.50 -0.14 0.00 0.02 0.00 0.00 54.13 53.58 2jmr s LEU 97 Cb -0.18 -1.90 0.15 0.00 0.02 0.00 0.00 46.19 44.29 2jmr s LEU 97 CO -0.17 0.03 1.24 0.54 0.02 0.00 0.00 176.35 178.00 2jmr s ASN 98 N -3.42 3.58 0.65 2.29 6.03 -1.25 -0.71 114.94 122.10 2jmr s ASN 98 Ca 0.30 0.55 0.38 0.00 -1.03 0.00 0.00 52.86 53.06 2jmr s ASN 98 Cb -0.08 -0.82 2.11 0.00 -3.03 0.00 0.00 41.25 39.43 2jmr s ASN 98 CO 0.20 -2.47 2.25 1.05 -2.03 0.00 0.00 177.10 176.10 2jmr h GLU 99 N -1.45 0.00 0.00 3.55 9.09 -1.89 0.19 114.58 124.06 2jmr h GLU 99 Ca -0.46 0.00 0.00 0.00 0.05 0.00 0.00 59.36 58.95 2jmr h GLU 99 Cb 1.28 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 28.38 2jmr h GLU 99 CO 0.51 0.00 0.00 1.04 0.05 0.00 0.00 179.01 180.61 2jmr n GLN 100 N -3.27 0.17 -1.76 1.06 6.02 -1.26 -4.89 117.38 113.45 2jmr n GLN 100 Ca -0.02 0.38 -0.21 0.00 -0.01 0.00 0.00 57.00 57.14 2jmr n GLN 100 Cb 0.16 -1.81 -0.07 0.00 1.02 0.00 0.00 30.24 29.53 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 -2.13 -1.49 -2.72 -1.09 6.02 0.66 -4.98 117.38 111.65 2jmr n GLN 101 Ca 0.03 1.19 -0.41 0.00 -0.01 0.00 0.00 57.00 57.79 2jmr n GLN 101 Cb 0.24 -5.62 -0.04 0.00 1.02 0.00 0.00 30.24 25.83 2jmr n GLN 101 CO 0.00 0.00 0.00 -0.80 -1.01 0.00 0.00 177.06 175.25 2jmr s ASN 102 N -2.64 7.48 -0.58 1.08 0.02 -1.26 -4.95 114.94 114.10 2jmr s ASN 102 Ca 0.00 1.80 -0.26 0.00 -1.02 0.00 0.00 52.86 53.38 2jmr s ASN 102 Cb 0.00 -2.59 -0.08 0.00 0.02 0.00 0.00 41.25 38.60 2jmr s ASN 102 CO 0.00 -0.08 2.35 -1.58 0.02 0.00 0.00 177.10 177.81 2jmr s GLN 103 N 0.01 2.05 0.21 -0.60 0.74 -1.26 -3.90 119.66 116.91 2jmr s GLN 103 Ca 0.47 1.10 -0.31 0.00 0.05 0.00 0.00 55.36 56.68 2jmr s GLN 103 Cb -0.24 -4.62 -0.10 0.00 1.10 0.00 0.00 33.01 29.15 2jmr s GLN 103 CO 0.30 -3.48 1.47 0.42 -0.55 0.00 0.00 175.29 173.45 2jmr s ILE 104 N 12.43 2.71 0.86 -2.34 1.01 -1.26 -5.03 121.20 129.59 2jmr s ILE 104 Ca 0.93 0.56 -0.12 0.00 0.00 0.00 0.00 60.65 62.02 2jmr s ILE 104 Cb -0.15 -3.36 0.11 0.00 0.01 0.00 0.00 42.46 39.06 2jmr s ILE 104 CO 0.21 0.07 1.14 -2.16 0.00 0.00 0.00 174.94 174.20 2jmr s PRO 105 N 0.23 1.55 0.18 2.79 0.04 -1.26 -4.79 135.00 133.75 2jmr s PRO 105 Ca 0.63 0.29 0.06 0.00 0.04 0.00 0.00 61.00 62.02 2jmr s PRO 105 Cb -0.42 -1.89 -0.04 0.00 0.04 0.00 0.00 34.50 32.20 2jmr s PRO 105 CO 0.38 -1.91 0.08 -0.51 0.04 0.00 0.00 177.00 175.08 2jmr s LEU 106 N -5.85 3.58 -1.62 -3.56 1.02 -1.26 -4.68 118.68 106.31 2jmr s LEU 106 Ca 0.63 -0.28 0.00 0.00 0.02 0.00 0.00 54.13 54.50 2jmr s LEU 106 Cb -0.14 -2.19 0.00 0.00 0.02 0.00 0.00 46.19 43.88 2jmr s LEU 106 CO 0.52 0.06 0.00 0.59 0.02 0.00 0.00 176.35 177.54 2jmr n ASN 107 N -0.37 -4.40 -4.33 2.29 4.13 -1.04 -4.90 115.26 106.64 2jmr n ASN 107 Ca -0.09 0.32 -0.29 0.00 1.68 0.00 0.00 54.58 56.19 2jmr n ASN 107 Cb 0.55 -3.91 0.17 0.00 -1.54 0.00 0.00 39.78 35.06 2jmr n ASN 107 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 2jmr s ALA 108 N -2.49 1.81 1.20 5.41 0.00 -1.26 -5.08 121.76 121.35 2jmr s ALA 108 Ca 0.00 -0.90 -0.10 0.00 0.00 0.00 0.00 51.96 50.96 2jmr s ALA 108 Cb 0.00 -2.89 0.16 0.00 0.00 0.00 0.00 23.12 20.39 2jmr s ALA 108 CO 0.00 -2.56 0.39 -0.35 0.00 0.00 0.00 175.76 173.24 2jmr n PRO 109 N -3.93 -3.07 -0.01 0.00 -0.04 -1.26 -5.02 135.00 121.66 2jmr n PRO 109 Ca 0.12 -0.65 0.05 0.00 -0.04 0.00 0.00 63.50 62.98 2jmr n PRO 109 Cb 0.60 -0.80 0.05 0.00 -0.04 0.00 0.00 33.50 33.30 2jmr n PRO 109 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 2jmr n SER 110 N -4.17 1.95 -0.22 3.54 7.64 -1.26 -4.47 113.62 116.62 2jmr n SER 110 Ca 0.06 -1.48 0.11 0.00 1.01 0.00 0.00 58.87 58.57 2jmr n SER 110 Cb 0.26 -0.02 0.02 0.00 -1.01 0.00 0.00 64.21 63.46 2jmr n SER 110 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 2jmr n SER 111 N 0.57 1.35 0.07 6.43 7.64 -1.26 -4.51 113.62 123.90 2jmr n SER 111 Ca 0.06 -1.11 0.11 0.00 1.01 0.00 0.00 58.87 58.95 2jmr n SER 111 Cb 0.27 0.62 0.45 0.00 -1.01 0.00 0.00 64.21 64.54 2jmr n SER 111 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2jmr n ALA 112 N -0.84 1.92 -2.32 -0.43 0.00 -1.26 -4.72 120.51 112.86 2jmr n ALA 112 Ca 0.07 -0.01 -0.17 0.00 0.00 0.00 0.00 53.44 53.34 2jmr n ALA 112 Cb 0.39 -1.38 -0.10 0.00 0.00 0.00 0.00 19.45 18.35 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 -3.86 2.16 0.42 0.00 0.05 -1.26 -4.98 118.68 111.21 2jmr s LEU 113 Ca 0.08 -1.23 0.06 0.00 0.05 0.00 0.00 54.13 53.10 2jmr s LEU 113 Cb 0.12 -0.24 -0.06 0.00 -2.05 0.00 0.00 46.19 43.95 2jmr s LEU 113 CO 0.43 -0.53 0.07 -0.94 -0.55 0.00 0.00 176.35 174.83 2jmr s SER 114 N -3.30 4.09 0.34 1.48 1.04 -1.26 -4.96 113.70 111.13 2jmr s SER 114 Ca 0.29 -1.31 -0.04 0.00 0.48 0.00 0.00 55.95 55.37 2jmr s SER 114 Cb 0.06 -0.31 0.01 0.00 0.10 0.00 0.00 66.02 65.88 2jmr s SER 114 CO 0.09 -0.54 0.50 0.86 0.98 0.00 0.00 173.24 175.12 2jmr s TRP 115 N -2.70 0.97 0.49 5.02 -0.11 -1.26 -4.77 118.94 116.58 2jmr s TRP 115 Ca 0.34 -1.24 0.05 0.00 1.22 0.00 0.00 56.10 56.48 2jmr s TRP 115 Cb 0.07 -0.01 -0.00 0.00 -1.50 0.00 0.00 33.47 32.03 2jmr s TRP 115 CO 0.18 -1.16 0.26 -0.08 -4.62 0.00 0.00 176.95 171.53 2jmr s THR 116 N -3.05 1.84 -0.53 5.86 -1.32 -1.26 -4.98 115.64 112.20 2jmr s THR 116 Ca 0.29 -1.64 -0.27 0.00 -1.21 0.00 0.00 61.69 58.86 2jmr s THR 116 Cb -0.01 -2.48 -0.09 0.00 -1.51 0.00 0.00 72.50 68.41 2jmr s THR 116 CO 0.19 0.00 2.43 0.41 -2.21 0.00 0.00 174.62 175.44 2jmr n THR 117 N -1.49 -0.03 -1.63 5.08 -1.04 -1.26 -4.51 114.28 109.40 2jmr n THR 117 Ca -0.04 -0.63 -0.42 0.00 -2.04 0.00 0.00 64.05 60.91 2jmr n THR 117 Cb 0.65 -2.40 -0.03 0.00 -1.82 0.00 0.00 70.33 66.73 2jmr n THR 117 CO 0.00 0.00 0.00 0.18 -0.64 0.00 0.00 175.07 174.61 2jmr n LEU 118 N 14.52 3.78 -4.74 -4.42 7.99 -1.24 -4.97 117.00 127.92 2jmr n LEU 118 Ca 0.41 0.60 -0.38 0.00 -0.01 0.00 0.00 56.01 56.63 2jmr n LEU 118 Cb 0.45 -1.54 0.05 0.00 -0.11 0.00 0.00 43.42 42.27 2jmr n LEU 118 CO 0.74 -0.18 0.94 0.28 -1.51 0.00 0.00 177.39 177.66 2jmr s THR 119 N 6.16 2.13 0.28 -5.08 -1.32 -1.26 -4.84 115.64 111.71 2jmr s THR 119 Ca 0.94 0.09 -0.29 0.00 -1.21 0.00 0.00 61.69 61.22 2jmr s THR 119 Cb -0.39 -3.04 -0.10 0.00 -1.51 0.00 0.00 72.50 67.46 2jmr s THR 119 CO 0.39 -0.01 1.23 -2.16 -2.21 0.00 0.00 174.62 171.86 2jmr s PRO 120 N -3.10 4.47 -1.33 7.08 0.04 -1.26 -4.12 135.00 136.77 2jmr s PRO 120 Ca 0.76 2.03 -0.05 0.00 0.04 0.00 0.00 61.00 63.77 2jmr s PRO 120 Cb -0.38 -3.14 0.03 0.00 0.04 0.00 0.00 34.50 31.05 2jmr s PRO 120 CO 0.43 -0.05 0.38 0.41 0.04 0.00 0.00 177.00 178.21 2jmr n GLY 121 N 1.29 -0.50 3.20 0.56 0.00 -0.07 -4.90 105.19 104.76 2jmr n GLY 121 Ca 0.01 0.08 -0.12 0.00 0.00 0.00 0.00 46.02 45.99 2jmr n GLY 121 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2jmr s LYS 122 N -5.64 0.93 -1.36 1.61 1.02 -1.26 -4.75 119.74 110.30 2jmr s LYS 122 Ca 0.26 -1.40 -0.14 0.00 0.02 0.00 0.00 55.97 54.71 2jmr s LYS 122 Cb -0.13 -0.27 -0.03 0.00 -0.52 0.00 0.00 37.83 36.88 2jmr s LYS 122 CO 0.32 -0.04 2.36 -0.35 -0.92 0.00 0.00 175.35 176.72 2jmr n PRO 123 N -0.11 2.80 -1.42 -1.68 -0.04 -1.26 -4.57 135.00 128.71 2jmr n PRO 123 Ca -0.10 -2.30 -0.48 0.00 -0.04 0.00 0.00 63.50 60.57 2jmr n PRO 123 Cb 0.61 -3.05 -0.10 0.00 -0.04 0.00 0.00 33.50 30.92 2jmr n PRO 123 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 2jmr n ASN 124 N 5.54 1.20 -3.97 3.54 3.02 -1.02 -4.75 115.26 118.82 2jmr n ASN 124 Ca 0.58 0.30 -0.28 0.00 -0.03 0.00 0.00 54.58 55.14 2jmr n ASN 124 Cb 0.33 -1.10 -0.17 0.00 -0.61 0.00 0.00 39.78 38.24 2jmr n ASN 124 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 2jmr s THR 125 N 8.10 1.31 0.34 3.41 2.01 -1.26 -0.78 115.64 128.78 2jmr s THR 125 Ca 1.19 -0.47 0.04 0.00 0.31 0.00 0.00 61.69 62.76 2jmr s THR 125 Cb -1.07 -1.26 0.06 0.00 0.01 0.00 0.00 72.50 70.24 2jmr s THR 125 CO 0.51 0.41 0.48 0.18 -0.69 0.00 0.00 174.62 175.51 2jmr n LEU 126 N 4.77 0.00 -4.29 4.42 4.32 -1.26 -5.10 117.00 119.85 2jmr n LEU 126 Ca -0.15 -1.36 -0.32 0.00 -0.02 0.00 0.00 56.01 54.16 2jmr n LEU 126 Cb 0.50 -0.27 -0.16 0.00 -1.62 0.00 0.00 43.42 41.88 2jmr n LEU 126 CO 0.20 -0.65 -0.54 0.20 -1.22 0.00 0.00 177.39 175.37 2jmr s ASN 127 N -3.08 3.27 0.33 -1.43 0.01 -1.26 -4.68 114.94 108.10 2jmr s ASN 127 Ca 0.35 -0.47 0.06 0.00 -0.71 0.00 0.00 52.86 52.09 2jmr s ASN 127 Cb -0.03 -0.98 -0.03 0.00 0.41 0.00 0.00 41.25 40.62 2jmr s ASN 127 CO 0.22 0.24 0.24 -0.36 -1.51 0.00 0.00 177.10 175.94 2jmr s PHE 128 N -0.11 1.71 0.05 2.20 0.40 0.05 -3.23 117.98 119.05 2jmr s PHE 128 Ca -0.05 -1.59 0.01 0.00 -0.60 0.00 0.00 56.93 54.70 2jmr s PHE 128 Cb -0.14 -0.77 -0.03 0.00 0.51 0.00 0.00 43.02 42.59 2jmr s PHE 128 CO 0.04 -0.77 -0.05 0.71 0.70 0.00 0.00 175.22 175.85 2jmr s TYR 129 N -3.47 0.56 -0.07 0.36 2.02 0.12 -0.72 117.35 116.14 2jmr s TYR 129 Ca 0.38 -0.70 -0.05 0.00 -0.37 0.00 0.00 57.07 56.33 2jmr s TYR 129 Cb 0.03 -0.36 0.03 0.00 -0.40 0.00 0.00 41.96 41.26 2jmr s TYR 129 CO 0.24 -0.19 0.17 0.00 -1.57 0.00 0.00 175.55 174.20 2jmr s ALA 130 N -2.33 -0.38 0.00 3.71 0.00 0.22 -0.40 121.76 122.58 2jmr s ALA 130 Ca -0.04 0.59 0.00 0.00 0.00 0.00 0.00 51.96 52.50 2jmr s ALA 130 Cb -0.04 -0.37 0.00 0.00 0.00 0.00 0.00 23.12 22.72 2jmr s ALA 130 CO -0.03 -0.11 0.00 -2.13 0.00 0.00 0.00 175.76 173.48 2jmr n ARG 131 N 3.50 0.00 -4.14 0.00 3.00 0.08 -2.05 116.66 117.04 2jmr n ARG 131 Ca -0.18 0.00 -0.15 0.00 -0.00 0.00 0.00 57.85 57.52 2jmr n ARG 131 Cb 0.56 0.00 -0.13 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 2.18 -0.11 6.15 1.43 -1.26 -1.04 118.68 126.03 2jmr s LEU 132 Ca 0.00 -0.42 0.02 0.00 -1.03 0.00 0.00 54.13 52.70 2jmr s LEU 132 Cb 0.00 -0.28 0.01 0.00 0.03 0.00 0.00 46.19 45.96 2jmr s LEU 132 CO 0.00 -0.09 -0.16 -0.32 0.23 0.00 0.00 176.35 176.01 2jmr s MET 133 N -1.14 2.24 -0.06 1.70 -2.45 0.31 -4.00 119.30 115.91 2jmr s MET 133 Ca -0.05 -0.57 -0.30 0.00 -1.25 0.00 0.00 55.69 53.52 2jmr s MET 133 Cb -0.08 -1.89 -0.06 0.00 1.25 0.00 0.00 34.83 34.05 2jmr s MET 133 CO 0.00 -0.05 1.73 0.00 1.05 0.00 0.00 175.02 177.75 2jmr s ALA 134 N 0.95 3.55 -0.55 4.11 0.00 -1.13 -2.10 121.76 126.59 2jmr s ALA 134 Ca -0.07 0.96 0.22 0.00 0.00 0.00 0.00 51.96 53.07 2jmr s ALA 134 Cb -0.15 -3.79 -0.06 0.00 0.00 0.00 0.00 23.12 19.12 2jmr s ALA 134 CO -0.01 -1.53 0.91 0.25 0.00 0.00 0.00 175.76 175.39 2jmr n THR 135 N 5.65 0.13 -2.63 0.00 -2.24 0.01 -4.39 114.28 110.81 2jmr n THR 135 Ca 0.18 -0.27 0.00 0.00 -2.27 0.00 0.00 64.05 61.70 2jmr n THR 135 Cb 0.43 0.26 0.00 0.00 -2.10 0.00 0.00 70.33 68.92 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 -1.98 0.00 -3.15 -0.78 1.13 -1.17 -4.89 117.38 106.54 2jmr n GLN 136 Ca 0.01 0.00 -0.24 0.00 -1.94 0.00 0.00 57.00 54.83 2jmr n GLN 136 Cb 0.45 0.00 -0.05 0.00 0.11 0.00 0.00 30.24 30.75 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 0.00 1.32 0.02 5.09 0.31 -1.26 -4.26 118.33 119.54 2jmr n VAL 137 Ca 0.00 -4.95 -0.09 0.00 -0.01 0.00 0.00 64.34 59.29 2jmr n VAL 137 Cb 0.00 -1.27 -0.13 0.00 -0.91 0.00 0.00 33.84 31.53 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 3.37 0.02 -4.85 5.55 0.13 -1.86 -3.48 132.00 130.88 2jmr h PRO 138 Ca 0.12 -0.03 -0.01 0.00 -0.87 0.00 0.00 66.00 65.22 2jmr h PRO 138 Cb 0.74 0.01 -0.00 0.00 0.13 0.00 0.00 31.00 31.88 2jmr h PRO 138 CO 0.66 0.74 -0.01 1.33 -0.23 0.00 0.00 178.00 180.50 2jmr n VAL 139 N -3.20 -0.02 -2.61 1.56 0.24 -1.26 -4.90 118.33 108.15 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 1.01 -0.05 -0.02 0.00 -1.47 0.00 0.00 33.84 33.30 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 -1.98 4.24 1.21 3.34 2.01 -1.26 -4.76 115.64 118.44 2jmr s THR 140 Ca 0.00 1.29 -0.17 0.00 0.31 0.00 0.00 61.69 63.12 2jmr s THR 140 Cb 0.00 -4.58 0.25 0.00 0.01 0.00 0.00 72.50 68.18 2jmr s THR 140 CO 0.00 -0.95 0.64 0.00 -0.69 0.00 0.00 174.62 173.62 2jmr n ALA 141 N 7.73 -3.61 0.00 7.40 0.00 -1.26 -3.69 120.51 127.08 2jmr n ALA 141 Ca 0.12 -1.37 0.00 0.00 0.00 0.00 0.00 53.44 52.19 2jmr n ALA 141 Cb 0.49 -1.70 0.00 0.00 0.00 0.00 0.00 19.45 18.24 2jmr n ALA 141 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2jmr n GLY 142 N 1.60 3.94 3.69 0.00 0.00 -1.25 -3.90 105.19 109.27 2jmr n GLY 142 Ca 0.04 -0.90 -0.31 0.00 0.00 0.00 0.00 46.02 44.85 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 1.94 -0.26 1.61 0.00 -0.26 -1.83 115.29 114.49 2jmr s HIS 143 Ca 0.00 1.62 -0.04 0.00 -3.00 0.00 0.00 55.06 53.65 2jmr s HIS 143 Cb 0.00 -3.22 0.01 0.00 -4.00 0.00 0.00 32.58 25.38 2jmr s HIS 143 CO 0.00 -2.57 -0.01 0.42 -1.00 0.00 0.00 174.74 171.58 2jmr s ILE 144 N -2.74 3.30 -0.06 -5.38 -1.09 -0.12 -3.54 121.20 111.57 2jmr s ILE 144 Ca 0.65 -0.83 -0.01 0.00 -2.23 0.00 0.00 60.65 58.23 2jmr s ILE 144 Cb -0.21 -2.65 0.03 0.00 -1.58 0.00 0.00 42.46 38.05 2jmr s ILE 144 CO 0.58 0.20 0.01 0.20 -1.23 0.00 0.00 174.94 174.71 2jmr s ASN 145 N 1.41 1.28 0.33 3.58 0.01 -1.26 -2.16 114.94 118.12 2jmr s ASN 145 Ca 0.02 -0.03 0.06 0.00 -0.71 0.00 0.00 52.86 52.19 2jmr s ASN 145 Cb -0.16 -0.33 -0.03 0.00 0.41 0.00 0.00 41.25 41.13 2jmr s ASN 145 CO -0.02 -0.19 0.24 0.00 -1.51 0.00 0.00 177.10 175.62 2jmr s ALA 146 N 1.85 1.94 -0.08 0.60 0.00 -1.25 -0.43 121.76 124.38 2jmr s ALA 146 Ca 0.02 -1.92 -0.31 0.00 0.00 0.00 0.00 51.96 49.76 2jmr s ALA 146 Cb -0.12 1.37 0.09 0.00 0.00 0.00 0.00 23.12 24.45 2jmr s ALA 146 CO -0.04 -0.61 0.77 -0.08 0.00 0.00 0.00 175.76 175.81 2jmr s THR 147 N -3.49 0.00 0.21 0.00 -1.32 -1.26 -4.27 115.64 105.51 2jmr s THR 147 Ca 0.38 0.00 -0.22 0.00 -1.21 0.00 0.00 61.69 60.65 2jmr s THR 147 Cb 0.03 -1.00 0.07 0.00 -1.51 0.00 0.00 72.50 70.09 2jmr s THR 147 CO 0.24 0.00 0.98 0.00 -2.21 0.00 0.00 174.62 173.63 2jmr s ALA 148 N -1.25 -1.47 -0.14 11.08 0.00 -1.21 -4.41 121.76 124.36 2jmr s ALA 148 Ca -0.08 -0.31 -0.04 0.00 0.00 0.00 0.00 51.96 51.53 2jmr s ALA 148 Cb -0.00 0.72 0.06 0.00 0.00 0.00 0.00 23.12 23.90 2jmr s ALA 148 CO 0.07 -1.05 0.11 0.95 0.00 0.00 0.00 175.76 175.84 2jmr s THR 149 N -2.42 -0.15 0.04 0.00 -4.23 -0.05 -1.08 115.64 107.76 2jmr s THR 149 Ca 0.19 0.03 -0.30 0.00 -1.18 0.00 0.00 61.69 60.43 2jmr s THR 149 Cb -0.03 -0.47 -0.04 0.00 1.34 0.00 0.00 72.50 73.30 2jmr s THR 149 CO 0.06 -0.12 1.01 0.72 -0.54 0.00 0.00 174.62 175.74 2jmr s PHE 150 N 2.19 3.66 -0.24 3.99 -0.12 -1.26 -2.22 117.98 123.98 2jmr s PHE 150 Ca 0.04 1.66 0.02 0.00 -0.05 0.00 0.00 56.93 58.60 2jmr s PHE 150 Cb -0.15 -3.16 0.06 0.00 -0.63 0.00 0.00 43.02 39.15 2jmr s PHE 150 CO -0.08 -0.17 -0.10 0.95 -0.05 0.00 0.00 175.22 175.78 2jmr s THR 151 N 0.71 1.93 -0.54 -4.49 -4.23 0.07 -4.72 115.64 104.37 2jmr s THR 151 Ca 0.52 -1.44 -0.26 0.00 -1.18 0.00 0.00 61.69 59.33 2jmr s THR 151 Cb -0.23 -2.08 0.03 0.00 1.34 0.00 0.00 72.50 71.57 2jmr s THR 151 CO 0.29 -0.02 1.02 -0.76 -0.54 0.00 0.00 174.62 174.62 2jmr s LEU 152 N 1.22 3.87 -1.30 4.79 2.01 -1.25 -0.76 118.68 127.25 2jmr s LEU 152 Ca -0.07 -0.10 -0.14 0.00 0.01 0.00 0.00 54.13 53.83 2jmr s LEU 152 Cb -0.19 -3.02 0.11 0.00 0.01 0.00 0.00 46.19 43.10 2jmr s LEU 152 CO -0.06 -1.27 1.78 -0.62 1.01 0.00 0.00 176.35 177.19 2jmr n GLU 153 N 7.72 3.26 -1.54 1.70 1.02 0.02 -4.84 120.64 127.97 2jmr n GLU 153 Ca 0.05 -3.35 -0.38 0.00 -0.02 0.00 0.00 57.16 53.46 2jmr n GLU 153 Cb 0.48 -3.22 -0.05 0.00 -0.02 0.00 0.00 31.44 28.63 2jmr n GLU 153 CO 0.00 0.00 0.00 0.66 1.18 0.00 0.00 177.13 178.97 2jmr n TYR 154 N 6.30 1.35 0.00 -0.32 4.01 -1.26 -2.86 117.16 124.38 2jmr n TYR 154 Ca 0.44 0.15 0.00 0.00 -0.16 0.00 0.00 57.90 58.33 2jmr n TYR 154 Cb 0.42 -2.61 0.00 0.00 -0.31 0.00 0.00 39.34 36.84 2jmr n TYR 154 CO 0.00 0.00 0.00 1.04 -0.46 0.00 0.00 176.86 177.44 2jmr n GLN 155 N 8.90 0.00 -2.11 -0.72 6.02 -1.03 -4.95 117.38 123.48 2jmr n GLN 155 Ca 0.41 0.00 -0.37 0.00 -0.01 0.00 0.00 57.00 57.03 2jmr n GLN 155 Cb 0.46 -3.29 0.01 0.00 1.02 0.00 0.00 30.24 28.44 2jmr n GLN 155 CO 0.00 0.00 0.00 0.34 -1.01 0.00 0.00 177.06 176.39 2jmr s ASP 156 N -1.20 5.70 0.00 1.08 -1.08 -1.15 -4.99 116.67 115.02 2jmr s ASP 156 Ca 0.00 2.39 0.00 0.00 -0.52 0.00 0.00 52.55 54.42 2jmr s ASP 156 Cb 0.00 -2.60 0.00 0.00 -1.46 0.00 0.00 42.92 38.86 2jmr s ASP 156 CO 0.00 -1.25 0.05 -3.20 0.52 0.00 0.00 175.17 171.29 2jmr n ASN 157 N -0.98 0.09 -4.78 -0.34 5.15 -1.26 -4.87 115.26 108.27 2jmr n ASN 157 Ca 0.10 -0.53 -0.29 0.00 -0.60 0.00 0.00 54.58 53.25 2jmr n ASN 157 Cb 0.48 0.87 0.12 0.00 -0.53 0.00 0.00 39.78 40.73 2jmr n ASN 157 CO 0.00 0.00 0.00 -1.00 1.40 0.00 0.00 177.26 177.66 2jmr s HIS 158 N -0.87 2.58 -0.42 1.20 3.76 -1.26 -5.03 115.29 115.26 2jmr s HIS 158 Ca 0.00 1.01 0.09 0.00 -0.15 0.00 0.00 55.06 56.00 2jmr s HIS 158 Cb 0.00 -3.26 0.28 0.00 1.11 0.00 0.00 32.58 30.71 2jmr s HIS 158 CO 0.00 -2.19 0.60 1.58 -0.85 0.00 0.00 174.74 173.88 2jmr n HIS 159 N -3.68 0.30 -3.78 1.40 -0.00 -1.26 -4.98 115.22 103.21 2jmr n HIS 159 Ca 0.07 -3.69 -0.14 0.00 0.46 0.00 0.00 57.72 54.41 2jmr n HIS 159 Cb 0.58 -0.39 -0.15 0.00 -0.12 0.00 0.00 29.99 29.90 2jmr n HIS 159 CO 0.00 0.00 0.00 -1.01 0.46 0.00 0.00 176.34 175.79 2jmr s HIS 160 N -1.67 -0.04 0.30 1.57 3.76 -1.26 -5.14 115.29 112.82 2jmr s HIS 160 Ca 0.37 0.23 -0.30 0.00 -0.15 0.00 0.00 55.06 55.22 2jmr s HIS 160 Cb 0.21 -0.14 -0.12 0.00 1.11 0.00 0.00 32.58 33.64 2jmr s HIS 160 CO -0.09 -0.10 1.52 0.72 -0.85 0.00 0.00 174.74 175.93 2jmr n HIS 161 N 3.96 2.70 -4.30 1.40 -0.00 -1.26 -5.03 115.22 112.70 2jmr n HIS 161 Ca -0.24 0.35 -0.16 0.00 -0.00 0.00 0.00 57.72 57.67 2jmr n HIS 161 Cb 0.53 -2.55 -0.10 0.00 -0.00 0.00 0.00 29.99 27.87 2jmr n HIS 161 CO 0.00 0.00 0.00 -1.01 -0.00 0.00 0.00 176.34 175.33 2jmr s HIS 162 N -0.30 1.43 1.05 4.41 4.02 -1.26 -5.16 115.29 119.48 2jmr s HIS 162 Ca 0.62 -1.02 -0.14 0.00 1.02 0.00 0.00 55.06 55.54 2jmr s HIS 162 Cb -0.53 -0.83 0.13 0.00 -1.02 0.00 0.00 32.58 30.33 2jmr s HIS 162 CO 0.52 -0.17 0.54 -2.39 1.02 0.00 0.00 174.74 174.27 2jmr n HIS 163 N -0.37 -1.01 -1.46 1.40 1.44 -1.26 -4.81 115.22 109.15 2jmr n HIS 163 Ca -0.04 0.15 -0.47 0.00 -2.01 0.00 0.00 57.72 55.34 2jmr n HIS 163 Cb 0.64 -1.74 -0.08 0.00 0.12 0.00 0.00 29.99 28.94 2jmr n HIS 163 CO 0.00 0.00 0.00 0.36 -2.81 0.00 0.00 176.34 173.89 2jmr n LYS 164 N -2.97 0.88 -0.12 -1.40 0.00 -1.26 -4.85 118.16 108.44 2jmr n LYS 164 Ca 0.05 0.19 0.01 0.00 -0.00 0.00 0.00 58.31 58.56 2jmr n LYS 164 Cb 0.56 -2.45 0.29 0.00 -0.00 0.00 0.00 35.03 33.44 2jmr n LYS 164 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 177.40 176.84 2jmr h GLN 165 N 13.34 0.80 0.00 -1.58 -0.00 -1.92 -3.42 115.11 122.33 2jmr h GLN 165 Ca -0.23 -0.07 0.00 0.00 -0.00 0.00 0.00 58.65 58.35 2jmr h GLN 165 Cb 1.32 -0.17 0.00 0.00 -0.00 0.00 0.00 27.48 28.63 2jmr h GLN 165 CO 1.09 0.57 0.00 0.00 -0.00 0.00 0.00 178.83 180.50 2jmr n ALA 166 N -2.45 0.90 -2.73 0.06 0.00 -1.26 -4.89 120.51 110.14 2jmr n ALA 166 Ca 0.06 0.00 -0.14 0.00 0.00 0.00 0.00 53.44 53.35 2jmr n ALA 166 Cb 0.08 0.00 -0.00 0.00 0.00 0.00 0.00 19.45 19.53 2jmr n ALA 166 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 2jmr n ASP 167 N -0.78 -3.52 -4.59 0.00 2.03 -1.26 -4.87 116.55 103.56 2jmr n ASP 167 Ca 0.00 0.05 -0.41 0.00 0.52 0.00 0.00 54.79 54.95 2jmr n ASP 167 Cb 0.00 -2.98 -0.03 0.00 -0.72 0.00 0.00 41.12 37.39 2jmr n ASP 167 CO 0.00 0.00 0.00 -0.94 -1.92 0.00 0.00 177.20 174.34 2jmr s SER 168 N -2.24 5.38 -0.57 1.67 1.04 -1.26 -4.92 113.70 112.80 2jmr s SER 168 Ca 0.12 1.48 -0.28 0.00 0.48 0.00 0.00 55.95 57.75 2jmr s SER 168 Cb -0.06 -2.51 0.01 0.00 0.10 0.00 0.00 66.02 63.55 2jmr s SER 168 CO 0.15 -2.09 1.50 -0.89 0.98 0.00 0.00 173.24 172.89 2jmr s THR 169 N 8.67 3.69 -0.23 2.02 2.01 -1.09 -4.18 115.64 126.54 2jmr s THR 169 Ca 0.92 0.56 -0.29 0.00 0.31 0.00 0.00 61.69 63.19 2jmr s THR 169 Cb -0.26 -4.34 0.01 0.00 0.01 0.00 0.00 72.50 67.92 2jmr s THR 169 CO 0.32 -1.13 1.05 -0.63 -0.69 0.00 0.00 174.62 173.54 2jmr s ILE 170 N 6.56 4.66 -0.26 1.82 -1.09 -0.24 -4.42 121.20 128.23 2jmr s ILE 170 Ca 0.55 2.01 -0.00 0.00 -2.23 0.00 0.00 60.65 60.98 2jmr s ILE 170 Cb -0.12 -4.30 0.08 0.00 -1.58 0.00 0.00 42.46 36.54 2jmr s ILE 170 CO 0.24 -0.18 0.03 -0.89 -1.23 0.00 0.00 174.94 172.91 2jmr s THR 171 N 3.22 1.17 -0.24 2.92 2.01 -1.26 -3.30 115.64 120.15 2jmr s THR 171 Ca 0.44 -1.24 -0.16 0.00 0.31 0.00 0.00 61.69 61.04 2jmr s THR 171 Cb -0.15 -1.67 -0.04 0.00 0.01 0.00 0.00 72.50 70.65 2jmr s THR 171 CO 0.06 -0.36 0.40 -0.63 -0.69 0.00 0.00 174.62 173.41 2jmr s ILE 172 N 1.52 5.17 -0.29 1.82 1.01 -1.26 -1.33 121.20 127.84 2jmr s ILE 172 Ca 0.02 0.67 -0.09 0.00 0.00 0.00 0.00 60.65 61.26 2jmr s ILE 172 Cb -0.18 -3.73 -0.01 0.00 0.01 0.00 0.00 42.46 38.55 2jmr s ILE 172 CO -0.13 0.19 0.12 -0.13 0.00 0.00 0.00 174.94 174.99 2jmr s ARG 173 N 1.74 3.36 0.31 2.79 1.81 -0.56 -3.93 118.95 124.47 2jmr s ARG 173 Ca 0.18 -0.69 0.07 0.00 -1.72 0.00 0.00 55.73 53.56 2jmr s ARG 173 Cb -0.15 -3.47 -0.03 0.00 -0.45 0.00 0.00 34.95 30.85 2jmr s ARG 173 CO 0.09 -0.37 0.27 0.41 -0.68 0.00 0.00 175.30 175.02 2jmr n GLY 174 N 4.95 2.96 3.36 -3.53 0.00 -0.92 -0.88 105.19 111.12 2jmr n GLY 174 Ca -0.14 -1.87 -0.15 0.00 0.00 0.00 0.00 46.02 43.86 2jmr n GLY 174 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 2jmr s TYR 175 N -3.25 -0.37 -0.27 1.61 5.04 -1.26 -0.95 117.35 117.89 2jmr s TYR 175 Ca 0.37 0.52 -0.01 0.00 -2.44 0.00 0.00 57.07 55.52 2jmr s TYR 175 Cb 0.02 0.24 0.04 0.00 0.35 0.00 0.00 41.96 42.62 2jmr s TYR 175 CO 0.26 -0.53 -0.05 0.08 -1.34 0.00 0.00 175.55 173.98 2jmr s VAL 176 N -1.70 2.75 -0.34 3.14 1.01 -0.76 -1.08 120.40 123.43 2jmr s VAL 176 Ca -0.10 -1.34 -0.29 0.00 0.00 0.00 0.00 61.98 60.26 2jmr s VAL 176 Cb -0.02 -2.53 0.02 0.00 0.00 0.00 0.00 36.38 33.84 2jmr s VAL 176 CO 0.04 0.01 1.14 -0.13 0.00 0.00 0.00 175.10 176.15 2jmr s ARG 177 N 1.24 3.98 0.41 2.72 1.81 0.60 -3.78 118.95 125.93 2jmr s ARG 177 Ca -0.04 1.04 0.16 0.00 -1.72 0.00 0.00 55.73 55.16 2jmr s ARG 177 Cb -0.19 -3.80 1.03 0.00 -0.45 0.00 0.00 34.95 31.55 2jmr s ARG 177 CO -0.03 -1.03 1.86 0.22 -0.68 0.00 0.00 175.30 175.65 2jmr h ASP 178 N 8.54 0.45 0.00 0.23 3.58 -1.92 0.26 116.42 127.56 2jmr h ASP 178 Ca -0.22 0.04 0.00 0.00 0.42 0.00 0.00 57.03 57.27 2jmr h ASP 178 Cb 1.07 -0.04 0.00 0.00 1.72 0.00 0.00 39.33 42.08 2jmr h ASP 178 CO 1.05 0.19 0.00 -3.20 -2.88 0.00 0.00 179.24 174.40