#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jmr h ALA 2 N 0.00 1.00 -0.36 3.17 0.00 -2.05 -3.32 119.26 117.70 2jmr h ALA 2 Ca 0.00 0.00 0.08 0.00 0.00 0.00 0.00 54.91 54.99 2jmr h ALA 2 Cb 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 17.79 17.71 2jmr h ALA 2 CO 0.00 0.00 -0.18 -0.44 0.00 0.00 0.00 179.25 178.63 2jmr h ASP 3 N 0.00 -0.59 -2.98 0.00 5.19 -2.08 -3.44 116.42 112.52 2jmr h ASP 3 Ca 0.00 0.14 -0.50 0.00 -0.62 0.00 0.00 57.03 56.05 2jmr h ASP 3 Cb 0.46 0.32 -0.00 0.00 0.18 0.00 0.00 39.33 40.30 2jmr h ASP 3 CO 0.00 -0.21 -0.19 -0.44 -3.12 0.00 0.00 179.24 175.28 2jmr s SER 4 N -5.14 6.37 0.15 6.45 0.01 -1.25 -5.05 113.70 115.24 2jmr s SER 4 Ca -0.14 0.55 -0.31 0.00 1.31 0.00 0.00 55.95 57.36 2jmr s SER 4 Cb 0.14 -2.07 -0.09 0.00 0.21 0.00 0.00 66.02 64.21 2jmr s SER 4 CO 0.70 -0.21 1.45 -0.89 0.41 0.00 0.00 173.24 174.70 2jmr s THR 5 N -2.15 3.00 0.00 1.44 2.01 -1.26 -4.89 115.64 113.80 2jmr s THR 5 Ca 0.41 0.74 0.13 0.00 0.31 0.00 0.00 61.69 63.28 2jmr s THR 5 Cb -0.10 -3.47 0.22 0.00 0.01 0.00 0.00 72.50 69.16 2jmr s THR 5 CO 0.32 0.07 1.05 0.00 -0.69 0.00 0.00 174.62 175.37 2jmr n ILE 6 N 3.74 0.00 -1.65 1.82 3.06 -1.26 -4.79 119.36 120.28 2jmr n ILE 6 Ca 0.12 -0.51 0.05 0.00 -2.50 0.00 0.00 62.75 59.91 2jmr n ILE 6 Cb 0.41 0.72 0.08 0.00 0.54 0.00 0.00 39.64 41.39 2jmr n ILE 6 CO 0.00 0.00 0.00 1.07 -2.50 0.00 0.00 176.55 175.12 2jmr n THR 7 N 0.26 0.99 -1.08 9.51 5.66 -1.26 -5.04 114.28 123.31 2jmr n THR 7 Ca -0.01 -1.37 -0.14 0.00 -3.05 0.00 0.00 64.05 59.48 2jmr n THR 7 Cb 0.91 0.18 0.11 0.00 -1.55 0.00 0.00 70.33 69.99 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 -0.63 0.00 0.00 1.09 5.41 -1.26 -5.10 119.36 118.87 2jmr n ILE 8 Ca 0.09 -0.34 0.00 0.00 1.00 0.00 0.00 62.75 63.50 2jmr n ILE 8 Cb 0.73 -1.42 0.00 0.00 -0.71 0.00 0.00 39.64 38.23 2jmr n ILE 8 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 176.55 175.41 2jmr n ARG 9 N -2.71 0.00 -3.34 0.38 0.63 -1.26 -4.68 116.66 105.68 2jmr n ARG 9 Ca 0.07 0.00 -0.27 0.00 -0.92 0.00 0.00 57.85 56.73 2jmr n ARG 9 Cb 0.27 0.00 -0.02 0.00 0.45 0.00 0.00 32.46 33.16 2jmr n ARG 9 CO 0.00 0.00 0.00 0.20 -2.51 0.00 0.00 177.63 175.32 2jmr s GLY 10 N -0.19 1.67 0.00 5.14 0.00 -1.26 -1.22 107.32 111.46 2jmr s GLY 10 Ca 0.00 -0.68 0.00 0.00 0.00 0.00 0.00 44.72 44.04 2jmr s GLY 10 CO 0.00 -0.59 0.01 1.58 0.00 0.00 0.00 173.10 174.10 2jmr n TYR 11 N -1.25 0.00 0.00 1.90 4.11 -1.26 -4.90 117.16 115.76 2jmr n TYR 11 Ca -0.03 0.00 0.00 0.00 -0.00 0.00 0.00 57.90 57.87 2jmr n TYR 11 Cb 0.55 0.00 0.00 0.00 -0.00 0.00 0.00 39.34 39.89 2jmr n TYR 11 CO 0.00 0.00 0.00 1.55 -0.00 0.00 0.00 176.86 178.41 2jmr n VAL 12 N -0.13 0.00 -3.98 -3.48 3.14 -1.26 -5.02 118.33 107.60 2jmr n VAL 12 Ca 0.00 0.00 -0.19 0.00 -2.96 0.00 0.00 64.34 61.19 2jmr n VAL 12 Cb 0.02 0.00 -0.16 0.00 -1.06 0.00 0.00 33.84 32.64 2jmr n VAL 12 CO 0.00 0.00 0.00 -0.13 -6.46 0.00 0.00 176.83 170.24 2jmr s ARG 13 N 0.00 0.53 0.00 1.45 1.81 -1.26 -5.01 118.95 116.46 2jmr s ARG 13 Ca 0.00 0.02 0.00 0.00 -1.72 0.00 0.00 55.73 54.03 2jmr s ARG 13 Cb 0.00 -0.68 0.00 0.00 -0.45 0.00 0.00 34.95 33.82 2jmr s ARG 13 CO 0.00 -0.14 0.60 -0.40 -0.68 0.00 0.00 175.30 174.68 2jmr n ASP 14 N 4.28 0.00 0.00 0.23 5.75 -1.26 -2.24 116.55 123.31 2jmr n ASP 14 Ca -0.22 -1.37 0.00 0.00 -0.01 0.00 0.00 54.79 53.19 2jmr n ASP 14 Cb 0.50 -0.07 0.00 0.00 -1.03 0.00 0.00 41.12 40.52 2jmr n ASP 14 CO 0.00 0.00 0.00 0.59 -0.11 0.00 0.00 177.20 177.68 2jmr n ASN 15 N 0.00 0.29 0.00 -1.12 5.03 -1.08 -4.66 115.26 113.72 2jmr n ASN 15 Ca 0.00 -0.97 0.00 0.00 0.87 0.00 0.00 54.58 54.48 2jmr n ASN 15 Cb 0.57 0.01 0.00 0.00 -1.02 0.00 0.00 39.78 39.34 2jmr n ASN 15 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 2jmr n GLY 16 N 0.01 -1.30 3.60 7.41 0.00 -1.25 -4.07 105.19 109.59 2jmr n GLY 16 Ca 0.00 -1.15 -0.28 0.00 0.00 0.00 0.00 46.02 44.59 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 -1.08 2.00 -4.61 0.00 3.41 -1.08 -5.01 113.62 107.26 2jmr n SER 18 Ca -0.09 -2.48 -0.30 0.00 -0.26 0.00 0.00 58.87 55.73 2jmr n SER 18 Cb 0.66 -0.46 -0.09 0.00 -0.26 0.00 0.00 64.21 64.06 2jmr n SER 18 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 2jmr s VAL 19 N -2.67 3.60 0.68 -3.33 0.11 -1.18 -1.74 120.40 115.86 2jmr s VAL 19 Ca 0.62 -1.08 -0.11 0.00 -2.93 0.00 0.00 61.98 58.47 2jmr s VAL 19 Cb -0.05 -2.66 0.00 0.00 -1.53 0.00 0.00 36.38 32.14 2jmr s VAL 19 CO 0.39 0.18 1.07 0.00 -3.33 0.00 0.00 175.10 173.42 2jmr s ALA 20 N -1.19 2.95 -2.00 1.54 0.00 -0.37 -4.58 121.76 118.11 2jmr s ALA 20 Ca 0.22 -0.31 0.12 0.00 0.00 0.00 0.00 51.96 51.98 2jmr s ALA 20 Cb -0.11 -3.01 0.70 0.00 0.00 0.00 0.00 23.12 20.70 2jmr s ALA 20 CO 0.13 -1.04 1.13 0.00 0.00 0.00 0.00 175.76 175.99 2jmr n ALA 21 N -2.94 1.97 0.94 0.00 0.00 -1.26 -0.78 120.51 118.44 2jmr n ALA 21 Ca 0.07 -0.07 0.10 0.00 0.00 0.00 0.00 53.44 53.53 2jmr n ALA 21 Cb 0.57 -1.19 -0.08 0.00 0.00 0.00 0.00 19.45 18.74 2jmr n ALA 21 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.50 176.65 2jmr n GLU 22 N -0.97 0.69 0.00 0.00 0.28 -1.26 -4.82 120.64 114.56 2jmr n GLU 22 Ca 0.09 -0.27 0.00 0.00 -0.16 0.00 0.00 57.16 56.81 2jmr n GLU 22 Cb 0.04 -1.44 0.00 0.00 1.43 0.00 0.00 31.44 31.47 2jmr n GLU 22 CO 0.00 0.00 0.00 0.43 -0.16 0.00 0.00 177.13 177.40 2jmr n SER 23 N -1.06 4.08 -4.68 -1.84 7.64 0.04 -4.81 113.62 112.98 2jmr n SER 23 Ca 0.05 0.00 -0.45 0.00 1.01 0.00 0.00 58.87 59.49 2jmr n SER 23 Cb 0.35 0.15 -0.04 0.00 -1.01 0.00 0.00 64.21 63.66 2jmr n SER 23 CO 0.00 0.00 0.00 1.07 -3.01 0.00 0.00 175.04 173.10 2jmr n THR 24 N -2.28 0.27 -1.28 0.44 5.66 -0.71 -2.78 114.28 113.61 2jmr n THR 24 Ca 0.00 -0.05 -0.09 0.00 -3.05 0.00 0.00 64.05 60.86 2jmr n THR 24 Cb 0.47 -1.89 -0.04 0.00 -1.55 0.00 0.00 70.33 67.32 2jmr n THR 24 CO 0.00 0.00 0.00 0.59 -3.05 0.00 0.00 175.07 172.61 2jmr n ASN 25 N 5.06 -4.54 -4.86 1.09 3.02 -1.00 -4.83 115.26 109.20 2jmr n ASN 25 Ca 0.18 0.23 -0.31 0.00 -0.03 0.00 0.00 54.58 54.66 2jmr n ASN 25 Cb 0.33 -2.87 0.03 0.00 -0.61 0.00 0.00 39.78 36.66 2jmr n ASN 25 CO 0.00 0.00 0.00 0.72 -2.62 0.00 0.00 177.26 175.36 2jmr s PHE 26 N -2.22 3.40 0.44 3.10 -0.71 -1.12 -4.63 117.98 116.25 2jmr s PHE 26 Ca 0.00 1.24 -0.16 0.00 -1.04 0.00 0.00 56.93 56.97 2jmr s PHE 26 Cb 0.00 -2.87 -0.08 0.00 -1.21 0.00 0.00 43.02 38.86 2jmr s PHE 26 CO 0.00 -0.99 0.88 0.99 -1.34 0.00 0.00 175.22 174.76 2jmr s THR 27 N -3.20 4.59 -0.08 -4.49 2.01 -1.26 -2.20 115.64 111.01 2jmr s THR 27 Ca 0.57 1.08 0.01 0.00 0.31 0.00 0.00 61.69 63.66 2jmr s THR 27 Cb -0.12 -3.68 0.02 0.00 0.01 0.00 0.00 72.50 68.73 2jmr s THR 27 CO 0.54 -0.49 -0.09 -0.69 -0.69 0.00 0.00 174.62 173.20 2jmr s VAL 28 N -2.36 0.98 -0.16 3.82 1.01 -0.87 -4.93 120.40 117.88 2jmr s VAL 28 Ca 0.57 -0.33 -0.29 0.00 0.00 0.00 0.00 61.98 61.93 2jmr s VAL 28 Cb -0.10 -0.95 -0.00 0.00 0.00 0.00 0.00 36.38 35.33 2jmr s VAL 28 CO 0.25 0.34 1.03 -0.62 0.00 0.00 0.00 175.10 176.10 2jmr s ASP 29 N 1.18 7.17 -0.69 3.32 2.15 -1.26 -0.89 116.67 127.65 2jmr s ASP 29 Ca -0.05 1.47 0.04 0.00 0.43 0.00 0.00 52.55 54.43 2jmr s ASP 29 Cb -0.14 -2.55 0.17 0.00 -0.30 0.00 0.00 42.92 40.10 2jmr s ASP 29 CO -0.02 -0.56 0.48 -0.76 -0.17 0.00 0.00 175.17 174.14 2jmr s LEU 30 N 2.60 4.83 0.00 -1.34 1.02 0.07 -4.95 118.68 120.91 2jmr s LEU 30 Ca 0.47 -3.67 0.00 0.00 0.02 0.00 0.00 54.13 50.94 2jmr s LEU 30 Cb -0.17 -1.67 0.00 0.00 0.02 0.00 0.00 46.19 44.37 2jmr s LEU 30 CO 0.12 -0.13 0.07 0.23 0.02 0.00 0.00 176.35 176.66 2jmr n MET 31 N 2.24 0.00 -4.09 1.70 2.81 -1.26 -4.14 117.12 114.38 2jmr n MET 31 Ca 0.17 0.07 -0.20 0.00 -1.81 0.00 0.00 57.70 55.93 2jmr n MET 31 Cb 0.35 -0.14 -0.07 0.00 -0.71 0.00 0.00 33.22 32.65 2jmr n MET 31 CO 0.00 0.00 0.00 0.39 1.51 0.00 0.00 175.97 177.87 2jmr n GLU 32 N -0.51 0.48 -4.34 0.03 4.71 -1.26 -4.43 120.64 115.33 2jmr n GLU 32 Ca 0.00 -3.06 -0.18 0.00 -0.01 0.00 0.00 57.16 53.91 2jmr n GLU 32 Cb 0.00 2.09 -0.10 0.00 -1.01 0.00 0.00 31.44 32.42 2jmr n GLU 32 CO 0.00 0.00 0.00 -0.80 0.09 0.00 0.00 177.13 176.42 2jmr s ASN 33 N -3.18 2.56 0.22 1.62 -0.87 -0.09 -4.84 114.94 110.36 2jmr s ASN 33 Ca 0.28 -1.01 -0.05 0.00 -1.57 0.00 0.00 52.86 50.51 2jmr s ASN 33 Cb 0.01 -0.14 -0.05 0.00 -0.02 0.00 0.00 41.25 41.05 2jmr s ASN 33 CO 0.20 -0.17 0.46 0.00 -2.57 0.00 0.00 177.10 175.02 2jmr s ALA 34 N -2.94 3.71 -0.01 0.60 0.00 -1.26 -0.27 121.76 121.59 2jmr s ALA 34 Ca 0.22 -0.58 -0.18 0.00 0.00 0.00 0.00 51.96 51.42 2jmr s ALA 34 Cb -0.01 -2.20 -0.10 0.00 0.00 0.00 0.00 23.12 20.81 2jmr s ALA 34 CO 0.07 0.45 0.83 0.00 0.00 0.00 0.00 175.76 177.10 2jmr h ALA 35 N 2.20 -0.73 0.00 0.00 0.00 -0.53 -3.39 119.26 116.80 2jmr h ALA 35 Ca -0.47 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.30 2jmr h ALA 35 Cb 1.18 0.25 0.00 0.00 0.00 0.00 0.00 17.79 19.22 2jmr h ALA 35 CO 0.69 -0.69 0.00 1.57 0.00 0.00 0.00 179.25 180.82 2jmr h LYS 36 N -1.03 0.00 0.00 0.00 2.10 -1.79 -1.21 116.57 114.65 2jmr h LYS 36 Ca -0.07 0.00 -0.04 0.00 -2.00 0.00 0.00 60.65 58.55 2jmr h LYS 36 Cb 0.50 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 31.82 2jmr h LYS 36 CO 0.11 0.00 -0.17 -0.56 -2.00 0.00 0.00 179.45 176.83 2jmr h GLN 37 N 0.00 0.00 -1.92 0.07 3.07 -1.96 -3.33 115.11 111.05 2jmr h GLN 37 Ca 0.00 0.00 -0.43 0.00 0.09 0.00 0.00 58.65 58.31 2jmr h GLN 37 Cb 0.08 0.00 -0.16 0.00 0.08 0.00 0.00 27.48 27.48 2jmr h GLN 37 CO 0.00 0.17 0.30 1.19 0.09 0.00 0.00 178.83 180.58 2jmr n PHE 38 N -3.42 1.39 0.18 0.06 3.72 -0.46 -4.70 117.46 114.23 2jmr n PHE 38 Ca -0.00 -1.89 -0.01 0.00 -0.05 0.00 0.00 57.45 55.50 2jmr n PHE 38 Cb 0.35 -1.33 0.14 0.00 -0.94 0.00 0.00 39.48 37.70 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 0.98 3.06 -3.59 4.37 6.94 -1.25 -4.44 115.26 121.33 2jmr n ASN 39 Ca 0.45 -2.47 0.01 0.00 -0.02 0.00 0.00 54.58 52.55 2jmr n ASN 39 Cb 0.60 -0.60 -0.01 0.00 -2.36 0.00 0.00 39.78 37.41 2jmr n ASN 39 CO 0.00 0.00 0.00 0.54 -1.03 0.00 0.00 177.26 176.77 2jmr s ASN 40 N -0.20 -0.02 0.15 0.53 4.22 -1.26 -4.90 114.94 113.45 2jmr s ASN 40 Ca 0.23 -0.03 0.16 0.00 -2.14 0.00 0.00 52.86 51.08 2jmr s ASN 40 Cb 0.18 0.05 -0.06 0.00 1.28 0.00 0.00 41.25 42.70 2jmr s ASN 40 CO 0.06 -0.08 1.07 0.40 -2.04 0.00 0.00 177.10 176.51 2jmr h ILE 41 N 2.00 0.63 0.00 0.54 5.03 -1.85 -2.87 117.51 120.99 2jmr h ILE 41 Ca -0.23 -2.06 0.00 0.00 -0.12 0.00 0.00 64.86 62.45 2jmr h ILE 41 Cb 1.17 2.17 0.00 0.00 -3.03 0.00 0.00 36.82 37.13 2jmr h ILE 41 CO 0.26 0.36 0.00 0.61 -0.68 0.00 0.00 178.15 178.70 2jmr n GLY 42 N 1.32 -1.05 3.69 5.37 0.00 -1.26 -4.50 105.19 108.76 2jmr n GLY 42 Ca -0.05 -0.08 -0.42 0.00 0.00 0.00 0.00 46.02 45.47 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 -2.78 3.65 0.22 4.61 0.00 -1.09 -4.92 121.76 121.46 2jmr s ALA 43 Ca 0.14 1.11 0.04 0.00 0.00 0.00 0.00 51.96 53.25 2jmr s ALA 43 Cb 0.13 -3.66 -0.05 0.00 0.00 0.00 0.00 23.12 19.54 2jmr s ALA 43 CO 0.33 -1.04 -0.03 0.95 0.00 0.00 0.00 175.76 175.97 2jmr s THR 44 N 2.53 1.11 0.45 0.00 -4.23 -1.26 -1.65 115.64 112.59 2jmr s THR 44 Ca 0.71 -2.05 0.03 0.00 -1.18 0.00 0.00 61.69 59.20 2jmr s THR 44 Cb -0.37 -2.25 -0.03 0.00 1.34 0.00 0.00 72.50 71.18 2jmr s THR 44 CO 0.30 -0.40 0.04 0.42 -0.54 0.00 0.00 174.62 174.43 2jmr s THR 45 N -3.37 1.21 -0.78 3.99 -4.23 -1.24 -5.00 115.64 106.22 2jmr s THR 45 Ca 0.26 -2.00 -0.26 0.00 -1.18 0.00 0.00 61.69 58.51 2jmr s THR 45 Cb 0.05 -2.42 0.02 0.00 1.34 0.00 0.00 72.50 71.49 2jmr s THR 45 CO 0.07 0.00 1.43 -2.16 -0.54 0.00 0.00 174.62 173.42 2jmr s PRO 46 N -3.81 3.15 0.10 3.99 0.04 -1.26 -4.88 135.00 132.32 2jmr s PRO 46 Ca 0.18 -0.27 -0.35 0.00 0.04 0.00 0.00 61.00 60.60 2jmr s PRO 46 Cb 0.04 -4.46 -0.18 0.00 0.04 0.00 0.00 34.50 29.94 2jmr s PRO 46 CO 0.10 -2.31 1.05 1.55 0.04 0.00 0.00 177.00 177.43 2jmr n VAL 47 N 6.67 0.59 -3.95 -0.36 3.14 -1.26 -4.98 118.33 118.18 2jmr n VAL 47 Ca 0.13 -0.15 -0.36 0.00 -2.96 0.00 0.00 64.34 61.00 2jmr n VAL 47 Cb 0.50 -0.38 -0.08 0.00 -1.06 0.00 0.00 33.84 32.82 2jmr n VAL 47 CO 0.00 0.00 0.00 0.54 -6.46 0.00 0.00 176.83 170.91 2jmr s VAL 48 N -0.15 5.15 0.03 1.55 0.11 -0.73 -4.94 120.40 121.41 2jmr s VAL 48 Ca 0.80 0.08 -0.30 0.00 -2.93 0.00 0.00 61.98 59.63 2jmr s VAL 48 Cb -1.04 -3.27 -0.06 0.00 -1.53 0.00 0.00 36.38 30.47 2jmr s VAL 48 CO 0.54 0.55 1.45 -2.16 -3.33 0.00 0.00 175.10 172.14 2jmr s PRO 49 N -0.42 4.27 0.28 1.54 0.04 -1.26 -2.13 135.00 137.33 2jmr s PRO 49 Ca 0.11 2.04 0.02 0.00 0.04 0.00 0.00 61.00 63.21 2jmr s PRO 49 Cb -0.12 -3.54 -0.03 0.00 0.04 0.00 0.00 34.50 30.85 2jmr s PRO 49 CO 0.02 -0.59 0.27 -0.59 0.04 0.00 0.00 177.00 176.15 2jmr s PHE 50 N 2.30 1.37 0.34 0.56 -0.12 -0.87 -4.95 117.98 116.61 2jmr s PHE 50 Ca 0.66 -1.46 -0.13 0.00 -0.05 0.00 0.00 56.93 55.95 2jmr s PHE 50 Cb -0.33 -0.51 0.03 0.00 -0.63 0.00 0.00 43.02 41.57 2jmr s PHE 50 CO 0.28 -0.84 0.66 -0.98 -0.05 0.00 0.00 175.22 174.29 2jmr s ARG 51 N -3.67 1.99 -0.49 1.99 1.04 -1.26 -2.33 118.95 116.21 2jmr s ARG 51 Ca 0.38 -1.41 -0.07 0.00 -1.04 0.00 0.00 55.73 53.58 2jmr s ARG 51 Cb 0.03 0.56 0.13 0.00 -2.04 0.00 0.00 34.95 33.63 2jmr s ARG 51 CO 0.20 -0.89 0.34 0.42 -0.04 0.00 0.00 175.30 175.33 2jmr s ILE 52 N -3.00 3.95 -0.43 4.99 1.01 -1.26 -4.93 121.20 121.53 2jmr s ILE 52 Ca 0.19 -2.05 -0.29 0.00 0.00 0.00 0.00 60.65 58.51 2jmr s ILE 52 Cb -0.04 -3.62 0.02 0.00 0.01 0.00 0.00 42.46 38.83 2jmr s ILE 52 CO 0.12 -0.78 1.29 -0.22 0.00 0.00 0.00 174.94 175.36 2jmr s LEU 53 N 1.06 3.63 -0.42 2.97 1.98 -1.26 -4.49 118.68 122.15 2jmr s LEU 53 Ca 0.08 0.71 -0.24 0.00 -2.89 0.00 0.00 54.13 51.79 2jmr s LEU 53 Cb -0.24 -3.54 0.02 0.00 0.66 0.00 0.00 46.19 43.09 2jmr s LEU 53 CO -0.02 -1.33 0.86 -0.76 -1.89 0.00 0.00 176.35 173.20 2jmr s LEU 54 N 4.95 4.09 0.20 -0.68 2.01 0.29 -1.24 118.68 128.31 2jmr s LEU 54 Ca 0.55 0.20 -0.16 0.00 0.01 0.00 0.00 54.13 54.73 2jmr s LEU 54 Cb -0.11 -3.11 0.02 0.00 0.01 0.00 0.00 46.19 43.00 2jmr s LEU 54 CO 0.31 -0.91 0.50 -0.94 1.01 0.00 0.00 176.35 176.33 2jmr s SER 55 N 2.07 -0.21 1.33 2.29 1.04 -0.71 -1.80 113.70 117.71 2jmr s SER 55 Ca 0.34 -0.58 -0.22 0.00 0.48 0.00 0.00 55.95 55.97 2jmr s SER 55 Cb -0.12 0.57 0.33 0.00 0.10 0.00 0.00 66.02 66.91 2jmr s SER 55 CO 0.22 -1.06 1.03 -2.16 0.98 0.00 0.00 173.24 172.25 2jmr s PRO 56 N -3.90 -2.21 0.16 4.02 0.04 -1.26 -3.11 135.00 128.73 2jmr s PRO 56 Ca 0.12 -0.07 -0.22 0.00 0.04 0.00 0.00 61.00 60.86 2jmr s PRO 56 Cb -0.01 -1.48 0.06 0.00 0.04 0.00 0.00 34.50 33.11 2jmr s PRO 56 CO -0.01 -4.36 0.58 0.00 0.04 0.00 0.00 177.00 173.25 2jmr n GLY 58 N -0.36 1.60 0.60 0.00 0.00 -0.95 -4.13 105.19 101.95 2jmr n GLY 58 Ca -0.16 -2.03 0.13 0.00 0.00 0.00 0.00 46.02 43.96 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 -1.29 1.86 -3.47 1.61 5.15 -0.36 -1.37 115.26 117.40 2jmr n ASN 59 Ca 0.00 -1.65 -0.27 0.00 -0.60 0.00 0.00 54.58 52.06 2jmr n ASN 59 Cb 0.00 -0.04 -0.09 0.00 -0.53 0.00 0.00 39.78 39.12 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 0.45 3.39 -2.69 5.20 0.00 -1.18 -4.87 120.51 120.81 2jmr n ALA 60 Ca 0.18 -4.19 -0.12 0.00 0.00 0.00 0.00 53.44 49.30 2jmr n ALA 60 Cb 0.40 -0.89 -0.07 0.00 0.00 0.00 0.00 19.45 18.89 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 -1.63 0.00 0.11 0.00 -7.23 -1.26 -2.62 120.40 107.76 2jmr s VAL 61 Ca 0.35 -1.72 0.00 0.00 -1.81 0.00 0.00 61.98 58.80 2jmr s VAL 61 Cb 0.10 -2.44 0.00 0.00 0.56 0.00 0.00 36.38 34.60 2jmr s VAL 61 CO -0.09 0.00 0.00 -1.20 -0.31 0.00 0.00 175.10 173.50 2jmr n SER 62 N -0.70 0.78 -3.79 4.85 7.64 -1.26 -4.96 113.62 116.18 2jmr n SER 62 Ca 0.01 0.16 -0.09 0.00 1.01 0.00 0.00 58.87 59.97 2jmr n SER 62 Cb 0.63 -0.19 -0.03 0.00 -1.01 0.00 0.00 64.21 63.61 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 -2.00 -1.05 0.51 -0.43 0.00 -1.26 -2.96 121.76 114.56 2jmr s ALA 63 Ca 0.00 -0.26 0.08 0.00 0.00 0.00 0.00 51.96 51.78 2jmr s ALA 63 Cb 0.00 0.89 0.05 0.00 0.00 0.00 0.00 23.12 24.06 2jmr s ALA 63 CO 0.00 -0.91 0.70 0.08 0.00 0.00 0.00 175.76 175.63 2jmr s VAL 64 N -3.90 2.54 0.01 0.00 1.01 -1.26 -2.15 120.40 116.64 2jmr s VAL 64 Ca 0.11 -0.97 0.00 0.00 0.00 0.00 0.00 61.98 61.12 2jmr s VAL 64 Cb -0.03 -2.57 -0.01 0.00 0.00 0.00 0.00 36.38 33.77 2jmr s VAL 64 CO 0.02 0.00 -0.02 -0.54 0.00 0.00 0.00 175.10 174.56 2jmr s LYS 65 N -4.55 0.15 0.64 2.72 1.02 -0.24 -3.59 119.74 115.88 2jmr s LYS 65 Ca 0.59 -0.23 -0.10 0.00 0.02 0.00 0.00 55.97 56.25 2jmr s LYS 65 Cb -0.08 -0.01 -0.01 0.00 -0.52 0.00 0.00 37.83 37.21 2jmr s LYS 65 CO 0.37 -0.00 1.02 0.08 -0.92 0.00 0.00 175.35 175.89 2jmr s VAL 66 N -0.50 4.17 -0.41 3.17 1.01 -1.26 -0.52 120.40 126.05 2jmr s VAL 66 Ca -0.05 0.58 0.06 0.00 0.00 0.00 0.00 61.98 62.57 2jmr s VAL 66 Cb -0.04 -3.68 0.17 0.00 0.00 0.00 0.00 36.38 32.84 2jmr s VAL 66 CO -0.00 -0.86 0.54 -0.83 0.00 0.00 0.00 175.10 173.95 2jmr s GLY 67 N -4.25 -0.74 -0.16 4.51 0.00 0.32 -4.25 107.32 102.74 2jmr s GLY 67 Ca 0.55 -0.38 -0.29 0.00 0.00 0.00 0.00 44.72 44.60 2jmr s GLY 67 CO 0.51 3.29 1.06 -1.36 0.00 0.00 0.00 173.10 176.60 2jmr s PHE 68 N 1.51 3.35 0.17 1.90 0.40 -1.26 -0.89 117.98 123.17 2jmr s PHE 68 Ca 0.19 1.46 0.07 0.00 -0.60 0.00 0.00 56.93 58.04 2jmr s PHE 68 Cb -0.07 -3.27 -0.04 0.00 0.51 0.00 0.00 43.02 40.14 2jmr s PHE 68 CO -0.06 -0.56 -0.13 0.95 0.70 0.00 0.00 175.22 176.12 2jmr s THR 69 N 2.70 1.51 -4.80 0.64 -4.23 -0.92 -4.29 115.64 106.26 2jmr s THR 69 Ca 0.48 -2.06 0.00 0.00 -1.18 0.00 0.00 61.69 58.92 2jmr s THR 69 Cb -0.18 -1.89 0.00 0.00 1.34 0.00 0.00 72.50 71.78 2jmr s THR 69 CO 0.13 -0.59 0.00 0.61 -0.54 0.00 0.00 174.62 174.23 2jmr n GLY 70 N -0.12 -2.06 3.66 3.99 0.00 -1.26 -3.13 105.19 106.27 2jmr n GLY 70 Ca -0.10 -1.26 -0.43 0.00 0.00 0.00 0.00 46.02 44.23 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 -2.55 3.85 0.56 1.61 1.01 -1.26 -4.63 120.40 118.98 2jmr s VAL 71 Ca 0.00 1.02 -0.15 0.00 0.00 0.00 0.00 61.98 62.85 2jmr s VAL 71 Cb 0.00 -3.69 -0.06 0.00 0.00 0.00 0.00 36.38 32.63 2jmr s VAL 71 CO 0.00 -0.12 1.00 0.00 0.00 0.00 0.00 175.10 175.98 2jmr s ALA 72 N 4.00 3.06 -0.35 5.51 0.00 -1.26 -1.27 121.76 131.44 2jmr s ALA 72 Ca 0.66 0.10 -0.28 0.00 0.00 0.00 0.00 51.96 52.44 2jmr s ALA 72 Cb -0.28 -3.11 0.02 0.00 0.00 0.00 0.00 23.12 19.75 2jmr s ALA 72 CO 0.24 -0.43 1.04 0.34 0.00 0.00 0.00 175.76 176.95 2jmr s ASP 73 N -3.45 6.82 0.00 0.00 2.15 0.29 -4.46 116.67 118.02 2jmr s ASP 73 Ca 0.58 0.84 0.03 0.00 0.43 0.00 0.00 52.55 54.43 2jmr s ASP 73 Cb -0.11 -2.52 0.18 0.00 -0.30 0.00 0.00 42.92 40.17 2jmr s ASP 73 CO 0.40 -0.92 0.63 -1.54 -0.17 0.00 0.00 175.17 173.57 2jmr n SER 74 N 6.97 0.00 0.01 -0.34 3.41 -1.26 -0.98 113.62 121.43 2jmr n SER 74 Ca 0.11 -0.11 0.11 0.00 -0.26 0.00 0.00 58.87 58.71 2jmr n SER 74 Cb 0.48 0.00 0.02 0.00 -0.26 0.00 0.00 64.21 64.45 2jmr n SER 74 CO 0.00 0.00 0.00 1.41 -0.16 0.00 0.00 175.04 176.29 2jmr n HIS 75 N -0.96 0.09 -2.90 7.33 8.25 -1.26 -4.77 115.22 121.01 2jmr n HIS 75 Ca 0.02 0.03 0.00 0.00 -0.26 0.00 0.00 57.72 57.51 2jmr n HIS 75 Cb 0.01 -0.24 0.00 0.00 1.12 0.00 0.00 29.99 30.89 2jmr n HIS 75 CO 0.00 0.00 0.00 -0.80 0.64 0.00 0.00 176.34 176.18 2jmr s ASN 76 N -3.40 -0.82 0.00 0.41 0.02 -0.15 -5.00 114.94 106.00 2jmr s ASN 76 Ca 0.06 -0.54 0.00 0.00 -1.02 0.00 0.00 52.86 51.37 2jmr s ASN 76 Cb 0.16 1.05 0.01 0.00 0.02 0.00 0.00 41.25 42.49 2jmr s ASN 76 CO 0.81 -0.08 0.21 0.00 0.02 0.00 0.00 177.10 178.06 2jmr n ALA 77 N 3.72 1.69 0.02 0.60 0.00 -1.07 -1.47 120.51 124.01 2jmr n ALA 77 Ca 0.09 -0.00 -0.22 0.00 0.00 0.00 0.00 53.44 53.31 2jmr n ALA 77 Cb 0.61 -1.00 -0.14 0.00 0.00 0.00 0.00 19.45 18.91 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 0.43 -4.10 0.00 4.21 -1.92 -3.42 115.58 110.78 2jmr h ASN 78 Ca 0.00 -0.87 -0.45 0.00 1.21 0.00 0.00 56.30 56.18 2jmr h ASN 78 Cb 0.00 -0.14 -0.00 0.00 -1.12 0.00 0.00 38.32 37.06 2jmr h ASN 78 CO 0.00 1.64 0.36 -0.76 -1.29 0.00 0.00 177.43 177.37 2jmr s LEU 79 N -7.52 3.83 0.34 1.61 2.01 -0.54 -0.97 118.68 117.44 2jmr s LEU 79 Ca -0.19 1.69 -0.27 0.00 0.01 0.00 0.00 54.13 55.37 2jmr s LEU 79 Cb 0.04 -4.53 -0.09 0.00 0.01 0.00 0.00 46.19 41.62 2jmr s LEU 79 CO 0.79 -0.49 1.14 -0.22 1.01 0.00 0.00 176.35 178.58 2jmr s LEU 80 N -3.50 4.36 0.00 1.79 2.96 -0.65 -0.55 118.68 123.09 2jmr s LEU 80 Ca 0.62 2.32 0.00 0.00 -0.22 0.00 0.00 54.13 56.84 2jmr s LEU 80 Cb -0.10 -3.84 0.00 0.00 0.50 0.00 0.00 46.19 42.75 2jmr s LEU 80 CO 0.19 -0.42 0.00 0.00 -1.32 0.00 0.00 176.35 174.81 2jmr n ALA 81 N 0.59 0.00 -4.07 5.97 0.00 -0.39 -0.28 120.51 122.32 2jmr n ALA 81 Ca 0.02 0.00 -0.17 0.00 0.00 0.00 0.00 53.44 53.29 2jmr n ALA 81 Cb 0.46 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 19.86 2jmr n ALA 81 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 2jmr n LEU 82 N 0.00 0.00 0.00 0.00 4.32 -1.26 -4.06 117.00 115.99 2jmr n LEU 82 Ca 0.00 -1.95 0.03 0.00 -0.02 0.00 0.00 56.01 54.08 2jmr n LEU 82 Cb 0.00 0.67 0.19 0.00 -1.62 0.00 0.00 43.42 42.66 2jmr n LEU 82 CO 0.00 -0.30 0.39 -1.84 -1.22 0.00 0.00 177.39 174.42 2jmr n GLU 83 N -0.56 0.32 -0.54 3.23 0.28 -0.48 -4.84 120.64 118.06 2jmr n GLU 83 Ca -0.03 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 56.97 2jmr n GLU 83 Cb 0.38 -1.31 0.00 0.00 1.43 0.00 0.00 31.44 31.94 2jmr n GLU 83 CO 0.00 0.00 0.00 -1.71 -0.16 0.00 0.00 177.13 175.26 2jmr n ASN 84 N -0.81 0.00 -4.86 -1.84 5.15 -1.26 -4.95 115.26 106.69 2jmr n ASN 84 Ca 0.05 0.00 -0.30 0.00 -0.60 0.00 0.00 54.58 53.73 2jmr n ASN 84 Cb 0.02 -1.75 0.06 0.00 -0.53 0.00 0.00 39.78 37.58 2jmr n ASN 84 CO 0.00 0.00 0.00 0.28 1.40 0.00 0.00 177.26 178.94 2jmr s THR 85 N -1.74 3.25 0.23 -0.44 -1.32 -1.26 -4.90 115.64 109.46 2jmr s THR 85 Ca 0.00 0.41 -0.14 0.00 -1.21 0.00 0.00 61.69 60.74 2jmr s THR 85 Cb 0.00 -3.32 0.28 0.00 -1.51 0.00 0.00 72.50 67.94 2jmr s THR 85 CO 0.00 -0.53 1.59 -0.37 -2.21 0.00 0.00 174.62 173.10 2jmr h VAL 86 N -0.82 0.16 -0.03 5.08 -1.51 -1.97 -1.17 116.25 115.99 2jmr h VAL 86 Ca -0.46 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 65.01 2jmr h VAL 86 Cb 1.26 0.16 0.00 0.00 -2.13 0.00 0.00 31.29 30.58 2jmr h VAL 86 CO 0.63 0.00 0.00 -1.20 -1.23 0.00 0.00 177.57 175.77 2jmr n SER 87 N -5.50 1.27 -4.89 4.19 7.64 -1.26 -4.77 113.62 110.31 2jmr n SER 87 Ca 0.10 -1.45 -0.29 0.00 1.01 0.00 0.00 58.87 58.23 2jmr n SER 87 Cb 0.40 -0.01 -0.01 0.00 -1.01 0.00 0.00 64.21 63.57 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 -1.97 3.33 1.16 -0.43 0.00 -0.44 -2.08 121.76 121.32 2jmr s ALA 88 Ca 0.38 -0.34 -0.16 0.00 0.00 0.00 0.00 51.96 51.85 2jmr s ALA 88 Cb 0.20 -2.72 0.26 0.00 0.00 0.00 0.00 23.12 20.87 2jmr s ALA 88 CO 0.33 -0.32 1.06 0.00 0.00 0.00 0.00 175.76 176.83 2jmr s ALA 89 N -2.72 0.27 0.28 0.00 0.00 -1.25 -4.79 121.76 113.56 2jmr s ALA 89 Ca 0.50 -0.56 0.08 0.00 0.00 0.00 0.00 51.96 51.99 2jmr s ALA 89 Cb -0.10 -3.05 -0.06 0.00 0.00 0.00 0.00 23.12 19.91 2jmr s ALA 89 CO 0.43 -3.53 -0.11 -1.12 0.00 0.00 0.00 175.76 171.43 2jmr s SER 90 N -3.34 3.06 -1.67 0.00 0.01 -1.25 -4.85 113.70 105.66 2jmr s SER 90 Ca 0.68 -1.13 0.00 0.00 1.31 0.00 0.00 55.95 56.81 2jmr s SER 90 Cb -0.17 -0.22 0.00 0.00 0.21 0.00 0.00 66.02 65.84 2jmr s SER 90 CO 0.59 -0.22 0.00 0.61 0.41 0.00 0.00 173.24 174.63 2jmr n GLY 91 N -0.59 0.48 2.74 3.44 0.00 -1.26 -4.68 105.19 105.32 2jmr n GLY 91 Ca -0.06 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.79 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 -5.18 0.48 -0.04 0.99 1.43 -1.26 -0.40 118.68 114.70 2jmr s LEU 92 Ca 0.00 0.11 0.06 0.00 -1.03 0.00 0.00 54.13 53.28 2jmr s LEU 92 Cb 0.00 -0.03 -0.02 0.00 0.03 0.00 0.00 46.19 46.17 2jmr s LEU 92 CO 0.00 -0.20 -0.23 -0.83 0.23 0.00 0.00 176.35 175.32 2jmr s GLY 93 N 1.73 1.33 0.19 -3.19 0.00 0.27 -4.79 107.32 102.86 2jmr s GLY 93 Ca -0.01 -1.07 -0.32 0.00 0.00 0.00 0.00 44.72 43.32 2jmr s GLY 93 CO -0.04 -0.80 1.62 -0.42 0.00 0.00 0.00 173.10 173.47 2jmr s ILE 94 N -0.47 2.36 -0.32 0.90 -1.09 0.61 -1.04 121.20 122.16 2jmr s ILE 94 Ca 0.06 0.27 0.02 0.00 -2.23 0.00 0.00 60.65 58.76 2jmr s ILE 94 Cb -0.11 -3.17 0.10 0.00 -1.58 0.00 0.00 42.46 37.69 2jmr s ILE 94 CO 0.01 0.02 0.06 -1.58 -1.23 0.00 0.00 174.94 172.22 2jmr s GLN 95 N 0.98 1.23 -0.45 2.79 0.74 -0.01 -1.63 119.66 123.30 2jmr s GLN 95 Ca 0.71 -1.55 -0.05 0.00 0.05 0.00 0.00 55.36 54.52 2jmr s GLN 95 Cb -0.46 -2.75 0.12 0.00 1.10 0.00 0.00 33.01 31.02 2jmr s GLN 95 CO 0.33 -0.94 0.27 -0.51 -0.55 0.00 0.00 175.29 173.90 2jmr s LEU 96 N 1.18 5.38 0.26 3.68 2.01 -1.26 -0.74 118.68 129.18 2jmr s LEU 96 Ca 0.10 -2.11 0.11 0.00 0.01 0.00 0.00 54.13 52.23 2jmr s LEU 96 Cb -0.18 -1.88 -0.05 0.00 0.01 0.00 0.00 46.19 44.09 2jmr s LEU 96 CO -0.14 -0.56 -0.11 -1.48 1.01 0.00 0.00 176.35 175.07 2jmr s LEU 97 N 1.04 2.87 0.00 1.79 0.05 -0.57 -4.45 118.68 119.41 2jmr s LEU 97 Ca 0.09 -0.81 -0.13 0.00 0.05 0.00 0.00 54.13 53.33 2jmr s LEU 97 Cb -0.23 -1.41 0.17 0.00 -2.05 0.00 0.00 46.19 42.67 2jmr s LEU 97 CO -0.03 0.04 0.99 -0.46 -0.55 0.00 0.00 176.35 176.33 2jmr n ASN 98 N -0.60 -0.04 -0.28 1.48 2.04 -1.25 -0.71 115.26 115.89 2jmr n ASN 98 Ca -0.07 -1.34 0.07 0.00 -0.44 0.00 0.00 54.58 52.81 2jmr n ASN 98 Cb 0.59 -0.76 0.18 0.00 -2.53 0.00 0.00 39.78 37.26 2jmr n ASN 98 CO 0.00 0.00 0.00 -0.08 -0.44 0.00 0.00 177.26 176.74 2jmr h GLU 99 N 0.00 0.07 0.00 -3.83 4.22 -1.38 0.23 114.58 113.88 2jmr h GLU 99 Ca -0.32 -0.00 0.00 0.00 0.08 0.00 0.00 59.36 59.11 2jmr h GLU 99 Cb 0.89 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 30.13 2jmr h GLU 99 CO 0.23 0.04 0.00 1.04 -2.18 0.00 0.00 179.01 178.14 2jmr n GLN 100 N -5.41 0.61 -3.29 1.92 6.02 -1.26 -4.84 117.38 111.14 2jmr n GLN 100 Ca 0.16 0.00 -0.24 0.00 -0.01 0.00 0.00 57.00 56.91 2jmr n GLN 100 Cb 0.53 -1.33 0.03 0.00 1.02 0.00 0.00 30.24 30.49 2jmr n GLN 100 CO 0.00 0.00 0.00 1.04 -1.01 0.00 0.00 177.06 177.09 2jmr n GLN 101 N -0.83 -4.88 -3.23 -1.09 6.02 0.80 -4.94 117.38 109.24 2jmr n GLN 101 Ca 0.10 0.74 -0.39 0.00 -0.01 0.00 0.00 57.00 57.44 2jmr n GLN 101 Cb 0.04 -5.58 -0.06 0.00 1.02 0.00 0.00 30.24 25.66 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 -2.85 7.06 -1.51 1.08 3.84 -1.26 -4.89 114.94 116.42 2jmr s ASN 102 Ca 0.41 1.26 -0.13 0.00 0.21 0.00 0.00 52.86 54.61 2jmr s ASN 102 Cb -0.19 -2.37 -0.01 0.00 -0.55 0.00 0.00 41.25 38.12 2jmr s ASN 102 CO 0.50 0.21 2.50 1.67 -2.79 0.00 0.00 177.10 179.20 2jmr n GLN 103 N 2.04 3.14 -1.17 0.43 7.27 -1.26 -3.94 117.38 123.89 2jmr n GLN 103 Ca -0.09 -2.43 -0.56 0.00 0.07 0.00 0.00 57.00 53.99 2jmr n GLN 103 Cb 0.51 -3.10 -0.11 0.00 2.41 0.00 0.00 30.24 29.95 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 4.54 0.00 -2.50 1.69 5.41 -1.26 -4.92 119.36 122.33 2jmr n ILE 104 Ca 0.62 0.00 -0.39 0.00 1.00 0.00 0.00 62.75 63.98 2jmr n ILE 104 Cb 0.33 -0.47 -0.04 0.00 -0.71 0.00 0.00 39.64 38.75 2jmr n ILE 104 CO 0.00 0.00 0.00 -2.84 0.00 0.00 0.00 176.55 173.71 2jmr s PRO 105 N 5.61 4.50 0.00 0.38 0.02 -1.26 -4.66 135.00 139.59 2jmr s PRO 105 Ca 1.12 1.72 0.00 0.00 0.02 0.00 0.00 61.00 63.86 2jmr s PRO 105 Cb -1.41 -3.01 0.00 0.00 0.02 0.00 0.00 34.50 30.11 2jmr s PRO 105 CO 0.62 0.11 0.59 1.28 -0.33 0.00 0.00 177.00 179.28 2jmr n LEU 106 N 0.84 0.23 0.00 -5.54 4.32 -0.15 -3.76 117.00 112.94 2jmr n LEU 106 Ca 0.01 0.72 0.00 0.00 -0.02 0.00 0.00 56.01 56.72 2jmr n LEU 106 Cb 0.46 -0.38 0.00 0.00 -1.62 0.00 0.00 43.42 41.88 2jmr n LEU 106 CO 0.51 -0.38 0.15 0.59 -1.22 0.00 0.00 177.39 177.04 2jmr n ASN 107 N -1.65 0.00 -4.76 -1.43 5.03 -1.26 -4.32 115.26 106.86 2jmr n ASN 107 Ca 0.00 0.00 -0.33 0.00 0.87 0.00 0.00 54.58 55.12 2jmr n ASN 107 Cb 0.00 0.00 0.05 0.00 -1.02 0.00 0.00 39.78 38.81 2jmr n ASN 107 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 2jmr s ALA 108 N -1.95 2.43 0.59 5.41 0.00 -1.25 -5.07 121.76 121.92 2jmr s ALA 108 Ca 0.00 0.60 -0.09 0.00 0.00 0.00 0.00 51.96 52.47 2jmr s ALA 108 Cb 0.00 -3.34 -0.03 0.00 0.00 0.00 0.00 23.12 19.75 2jmr s ALA 108 CO 0.00 -1.34 0.96 -1.25 0.00 0.00 0.00 175.76 174.12 2jmr s PRO 109 N -4.05 3.42 0.00 0.00 0.04 -1.26 -4.89 135.00 128.25 2jmr s PRO 109 Ca 0.68 0.48 0.01 0.00 0.04 0.00 0.00 61.00 62.21 2jmr s PRO 109 Cb -0.22 -2.17 0.06 0.00 0.04 0.00 0.00 34.50 32.21 2jmr s PRO 109 CO 0.42 -0.54 0.94 0.43 0.04 0.00 0.00 177.00 178.29 2jmr n SER 110 N -2.63 0.00 0.06 6.66 7.64 -1.26 -1.53 113.62 122.55 2jmr n SER 110 Ca 0.04 0.38 0.13 0.00 1.01 0.00 0.00 58.87 60.43 2jmr n SER 110 Cb 0.55 -0.39 0.36 0.00 -1.01 0.00 0.00 64.21 63.72 2jmr n SER 110 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 2jmr n SER 111 N -1.39 0.57 0.00 6.43 3.41 -1.26 -4.03 113.62 117.35 2jmr n SER 111 Ca 0.00 0.32 0.10 0.00 -0.26 0.00 0.00 58.87 59.04 2jmr n SER 111 Cb 0.01 -0.32 0.58 0.00 -0.26 0.00 0.00 64.21 64.22 2jmr n SER 111 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2jmr n ALA 112 N -1.70 2.19 -3.48 7.33 0.00 -0.58 -4.83 120.51 119.42 2jmr n ALA 112 Ca 0.05 -0.12 -0.10 0.00 0.00 0.00 0.00 53.44 53.27 2jmr n ALA 112 Cb 0.40 -1.34 -0.01 0.00 0.00 0.00 0.00 19.45 18.50 2jmr n ALA 112 CO 0.00 0.00 0.00 -0.48 0.00 0.00 0.00 177.50 177.02 2jmr s LEU 113 N -2.31 0.30 0.00 0.00 0.05 -1.26 -5.03 118.68 110.44 2jmr s LEU 113 Ca 0.26 -1.16 0.01 0.00 0.05 0.00 0.00 54.13 53.29 2jmr s LEU 113 Cb 0.14 2.32 -0.00 0.00 -2.05 0.00 0.00 46.19 46.61 2jmr s LEU 113 CO 0.29 -1.48 0.04 -1.54 -0.55 0.00 0.00 176.35 173.10 2jmr n SER 114 N -1.19 -0.09 -4.06 1.48 3.41 -1.26 -4.88 113.62 107.03 2jmr n SER 114 Ca -0.04 -1.24 -0.17 0.00 -0.26 0.00 0.00 58.87 57.15 2jmr n SER 114 Cb 0.60 0.20 -0.09 0.00 -0.26 0.00 0.00 64.21 64.66 2jmr n SER 114 CO 0.00 0.00 0.00 0.86 -0.16 0.00 0.00 175.04 175.74 2jmr s TRP 115 N -2.58 1.54 0.74 7.33 -0.11 -1.24 -4.52 118.94 120.10 2jmr s TRP 115 Ca 0.04 -1.34 -0.04 0.00 1.22 0.00 0.00 56.10 55.98 2jmr s TRP 115 Cb 0.00 -0.83 0.11 0.00 -1.50 0.00 0.00 33.47 31.26 2jmr s TRP 115 CO 0.03 -0.51 1.03 -0.08 -4.62 0.00 0.00 176.95 172.80 2jmr s THR 116 N -3.70 2.21 -0.50 5.86 -1.32 -1.26 -4.89 115.64 112.04 2jmr s THR 116 Ca 0.37 -0.43 -0.26 0.00 -1.21 0.00 0.00 61.69 60.15 2jmr s THR 116 Cb 0.06 -2.77 -0.05 0.00 -1.51 0.00 0.00 72.50 68.23 2jmr s THR 116 CO 0.16 0.00 2.17 -0.89 -2.21 0.00 0.00 174.62 173.86 2jmr s THR 117 N -3.24 3.15 -0.21 5.08 2.01 -1.26 -4.50 115.64 116.66 2jmr s THR 117 Ca 0.65 0.10 -0.29 0.00 0.31 0.00 0.00 61.69 62.47 2jmr s THR 117 Cb -0.07 -3.37 -0.04 0.00 0.01 0.00 0.00 72.50 69.03 2jmr s THR 117 CO 0.45 -0.34 1.94 -0.76 -0.69 0.00 0.00 174.62 175.22 2jmr s LEU 118 N 10.54 3.69 0.24 4.42 1.02 -1.16 -4.97 118.68 132.46 2jmr s LEU 118 Ca 0.86 1.78 -0.30 0.00 0.02 0.00 0.00 54.13 56.50 2jmr s LEU 118 Cb -0.17 -3.52 -0.09 0.00 0.02 0.00 0.00 46.19 42.42 2jmr s LEU 118 CO 0.25 -1.62 1.32 -0.89 0.02 0.00 0.00 176.35 175.44 2jmr s THR 119 N 6.74 3.01 0.40 5.49 2.01 -1.26 -4.80 115.64 127.22 2jmr s THR 119 Ca 0.87 0.87 -0.27 0.00 0.31 0.00 0.00 61.69 63.47 2jmr s THR 119 Cb -0.30 -3.56 -0.10 0.00 0.01 0.00 0.00 72.50 68.55 2jmr s THR 119 CO 0.34 0.15 1.47 -2.84 -0.69 0.00 0.00 174.62 173.06 2jmr s PRO 120 N -0.58 4.00 -0.77 4.92 0.02 -1.26 -3.64 135.00 137.68 2jmr s PRO 120 Ca 0.55 2.54 0.00 0.00 0.02 0.00 0.00 61.00 64.11 2jmr s PRO 120 Cb -0.38 -2.89 0.00 0.00 0.02 0.00 0.00 34.50 31.25 2jmr s PRO 120 CO 0.42 -0.61 0.00 0.41 -0.33 0.00 0.00 177.00 176.89 2jmr n GLY 121 N 0.48 0.82 3.47 0.52 0.00 -0.47 -4.94 105.19 105.08 2jmr n GLY 121 Ca 0.02 -0.15 -0.23 0.00 0.00 0.00 0.00 46.02 45.66 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 -2.32 1.67 -1.38 1.61 1.02 -1.24 -4.75 119.74 114.35 2jmr s LYS 122 Ca 0.00 -1.89 -0.16 0.00 0.02 0.00 0.00 55.97 53.95 2jmr s LYS 122 Cb 0.00 -1.19 0.06 0.00 -0.52 0.00 0.00 37.83 36.18 2jmr s LYS 122 CO 0.00 -0.03 1.98 -0.35 -0.92 0.00 0.00 175.35 176.03 2jmr n PRO 123 N -0.69 3.04 -1.71 -1.68 -0.04 -1.26 -4.55 135.00 128.11 2jmr n PRO 123 Ca -0.04 -2.96 -0.41 0.00 -0.04 0.00 0.00 63.50 60.05 2jmr n PRO 123 Cb 0.65 -3.38 0.01 0.00 -0.04 0.00 0.00 33.50 30.74 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 7.13 2.67 -4.22 3.54 3.02 -0.75 -4.75 115.26 121.90 2jmr n ASN 124 Ca 0.50 1.12 -0.16 0.00 -0.03 0.00 0.00 54.58 56.02 2jmr n ASN 124 Cb 0.42 -1.51 -0.11 0.00 -0.61 0.00 0.00 39.78 37.97 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 -1.19 1.15 -0.03 3.41 2.01 -1.26 -0.55 115.64 119.19 2jmr s THR 125 Ca 0.60 -1.76 -0.01 0.00 0.31 0.00 0.00 61.69 60.83 2jmr s THR 125 Cb -0.51 -1.53 0.03 0.00 0.01 0.00 0.00 72.50 70.50 2jmr s THR 125 CO 0.59 -0.54 0.03 -0.22 -0.69 0.00 0.00 174.62 173.78 2jmr s LEU 126 N -2.61 0.81 -0.17 4.42 2.96 -1.26 -5.00 118.68 117.82 2jmr s LEU 126 Ca 0.09 0.03 -0.29 0.00 -0.22 0.00 0.00 54.13 53.75 2jmr s LEU 126 Cb -0.03 -0.14 -0.05 0.00 0.50 0.00 0.00 46.19 46.47 2jmr s LEU 126 CO 0.01 -0.16 2.07 0.20 -1.32 0.00 0.00 176.35 177.16 2jmr s ASN 127 N 1.42 5.80 0.27 3.68 -0.87 -1.26 -4.46 114.94 119.52 2jmr s ASN 127 Ca -0.05 2.00 0.10 0.00 -1.57 0.00 0.00 52.86 53.34 2jmr s ASN 127 Cb -0.13 -2.52 -0.05 0.00 -0.02 0.00 0.00 41.25 38.53 2jmr s ASN 127 CO -0.03 -1.67 -0.14 -0.36 -2.57 0.00 0.00 177.10 172.33 2jmr s PHE 128 N 7.03 2.11 0.06 2.20 0.40 -0.99 -0.94 117.98 127.86 2jmr s PHE 128 Ca 0.93 -0.49 0.01 0.00 -0.60 0.00 0.00 56.93 56.79 2jmr s PHE 128 Cb -0.34 -1.04 -0.03 0.00 0.51 0.00 0.00 43.02 42.12 2jmr s PHE 128 CO 0.36 0.53 -0.05 0.71 0.70 0.00 0.00 175.22 177.46 2jmr s TYR 129 N -2.73 0.64 0.01 0.36 2.02 0.12 -2.04 117.35 115.72 2jmr s TYR 129 Ca 0.28 -0.78 0.07 0.00 -0.37 0.00 0.00 57.07 56.27 2jmr s TYR 129 Cb -0.01 -0.40 -0.02 0.00 -0.40 0.00 0.00 41.96 41.13 2jmr s TYR 129 CO 0.13 -0.19 -0.20 0.00 -1.57 0.00 0.00 175.55 173.71 2jmr s ALA 130 N -2.73 1.68 0.09 3.71 0.00 -0.90 -1.52 121.76 122.08 2jmr s ALA 130 Ca 0.00 -0.93 -0.05 0.00 0.00 0.00 0.00 51.96 50.99 2jmr s ALA 130 Cb -0.01 -0.39 0.02 0.00 0.00 0.00 0.00 23.12 22.74 2jmr s ALA 130 CO -0.04 0.40 0.24 -2.13 0.00 0.00 0.00 175.76 174.23 2jmr n ARG 131 N 2.31 0.26 -4.54 0.00 3.00 0.08 -1.78 116.66 115.98 2jmr n ARG 131 Ca -0.16 -0.53 -0.31 0.00 -0.00 0.00 0.00 57.85 56.85 2jmr n ARG 131 Cb 0.53 0.67 -0.17 0.00 0.00 0.00 0.00 32.46 33.50 2jmr n ARG 131 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.63 176.46 2jmr s LEU 132 N 0.00 1.99 -0.23 6.15 2.96 -1.26 -0.83 118.68 127.46 2jmr s LEU 132 Ca 0.05 -0.56 -0.10 0.00 -0.22 0.00 0.00 54.13 53.30 2jmr s LEU 132 Cb -0.01 -1.34 -0.05 0.00 0.50 0.00 0.00 46.19 45.29 2jmr s LEU 132 CO 0.03 0.05 0.14 -0.32 -1.32 0.00 0.00 176.35 174.93 2jmr s MET 133 N 0.93 4.06 0.28 1.98 -2.45 -0.20 -3.69 119.30 120.21 2jmr s MET 133 Ca -0.05 -0.28 -0.29 0.00 -1.25 0.00 0.00 55.69 53.81 2jmr s MET 133 Cb -0.15 -3.49 -0.10 0.00 1.25 0.00 0.00 34.83 32.34 2jmr s MET 133 CO -0.03 0.10 1.36 0.00 1.05 0.00 0.00 175.02 177.50 2jmr s ALA 134 N 0.93 3.56 0.00 4.11 0.00 -0.66 -0.57 121.76 129.13 2jmr s ALA 134 Ca 0.07 1.27 0.00 0.00 0.00 0.00 0.00 51.96 53.30 2jmr s ALA 134 Cb -0.13 -3.51 0.00 0.00 0.00 0.00 0.00 23.12 19.48 2jmr s ALA 134 CO 0.03 -0.67 0.00 0.25 0.00 0.00 0.00 175.76 175.37 2jmr n THR 135 N 1.72 0.00 -3.77 0.00 -2.24 0.47 -4.60 114.28 105.86 2jmr n THR 135 Ca 0.04 -0.33 -0.03 0.00 -2.27 0.00 0.00 64.05 61.46 2jmr n THR 135 Cb 0.41 0.94 -0.01 0.00 -2.10 0.00 0.00 70.33 69.58 2jmr n THR 135 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2jmr n GLN 136 N -0.76 0.10 -2.70 -0.78 1.13 -0.67 -4.91 117.38 108.79 2jmr n GLN 136 Ca 0.00 -0.48 -0.26 0.00 -1.94 0.00 0.00 57.00 54.32 2jmr n GLN 136 Cb 0.00 0.44 -0.02 0.00 0.11 0.00 0.00 30.24 30.78 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 -0.10 2.50 0.07 5.09 0.31 -1.26 -4.54 118.33 120.40 2jmr n VAL 137 Ca 0.00 -5.10 -0.04 0.00 -0.01 0.00 0.00 64.34 59.20 2jmr n VAL 137 Cb 0.10 -1.19 -0.07 0.00 -0.91 0.00 0.00 33.84 31.76 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 2.77 0.00 -6.92 5.55 0.13 -1.85 -3.48 132.00 128.21 2jmr h PRO 138 Ca 0.21 0.00 -0.55 0.00 -0.87 0.00 0.00 66.00 64.78 2jmr h PRO 138 Cb 0.77 0.00 -0.33 0.00 0.13 0.00 0.00 31.00 31.57 2jmr h PRO 138 CO 0.81 0.70 -0.80 1.33 -0.23 0.00 0.00 178.00 179.81 2jmr n VAL 139 N -3.22 -0.09 -2.61 1.56 0.24 -1.26 -4.92 118.33 108.03 2jmr n VAL 139 Ca -0.03 0.00 -0.43 0.00 -2.04 0.00 0.00 64.34 61.84 2jmr n VAL 139 Cb 0.88 -0.56 -0.02 0.00 -1.47 0.00 0.00 33.84 32.67 2jmr n VAL 139 CO 0.00 0.00 0.00 -0.89 -2.14 0.00 0.00 176.83 173.80 2jmr s THR 140 N -3.12 4.48 0.39 3.34 2.01 -1.26 -4.76 115.64 116.73 2jmr s THR 140 Ca 0.74 1.72 -0.07 0.00 0.31 0.00 0.00 61.69 64.40 2jmr s THR 140 Cb -0.43 -4.35 0.10 0.00 0.01 0.00 0.00 72.50 67.83 2jmr s THR 140 CO 0.91 -0.42 0.27 0.00 -0.69 0.00 0.00 174.62 174.70 2jmr n ALA 141 N 6.85 -1.30 0.00 7.40 0.00 -1.26 -3.87 120.51 128.34 2jmr n ALA 141 Ca 0.12 -0.45 0.00 0.00 0.00 0.00 0.00 53.44 53.11 2jmr n ALA 141 Cb 0.47 -0.04 0.00 0.00 0.00 0.00 0.00 19.45 19.88 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 -0.84 3.24 3.78 0.00 0.00 -1.25 -3.89 105.19 106.23 2jmr n GLY 142 Ca 0.04 -1.76 -0.36 0.00 0.00 0.00 0.00 46.02 43.93 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 -2.01 3.00 -0.14 1.61 -3.43 -0.88 -0.48 115.29 112.96 2jmr s HIS 143 Ca 0.00 1.57 -0.19 0.00 -0.80 0.00 0.00 55.06 55.64 2jmr s HIS 143 Cb 0.00 -3.26 -0.04 0.00 -1.43 0.00 0.00 32.58 27.85 2jmr s HIS 143 CO 0.00 -1.16 0.53 0.42 -2.00 0.00 0.00 174.74 172.53 2jmr s ILE 144 N -1.64 5.13 -0.29 -5.38 -1.09 0.08 -3.78 121.20 114.24 2jmr s ILE 144 Ca 0.63 1.04 -0.12 0.00 -2.23 0.00 0.00 60.65 59.97 2jmr s ILE 144 Cb -0.25 -3.87 0.11 0.00 -1.58 0.00 0.00 42.46 36.87 2jmr s ILE 144 CO 0.30 0.26 0.65 0.20 -1.23 0.00 0.00 174.94 175.12 2jmr s ASN 145 N 0.83 -1.03 0.26 3.58 -0.87 -1.26 -1.81 114.94 114.64 2jmr s ASN 145 Ca 0.27 1.52 -0.02 0.00 -1.57 0.00 0.00 52.86 53.06 2jmr s ASN 145 Cb -0.16 1.91 -0.02 0.00 -0.02 0.00 0.00 41.25 42.96 2jmr s ASN 145 CO 0.11 -0.23 0.30 0.00 -2.57 0.00 0.00 177.10 174.71 2jmr s ALA 146 N 2.40 0.91 -0.06 0.60 0.00 -1.24 -1.38 121.76 123.00 2jmr s ALA 146 Ca -0.07 -1.55 -0.10 0.00 0.00 0.00 0.00 51.96 50.23 2jmr s ALA 146 Cb -0.09 1.29 0.02 0.00 0.00 0.00 0.00 23.12 24.34 2jmr s ALA 146 CO -0.19 -0.70 0.25 -0.08 0.00 0.00 0.00 175.76 175.04 2jmr s THR 147 N -3.79 0.03 0.12 0.00 -1.32 -1.26 -3.81 115.64 105.62 2jmr s THR 147 Ca 0.34 -0.27 -0.11 0.00 -1.21 0.00 0.00 61.69 60.44 2jmr s THR 147 Cb 0.03 -0.45 0.04 0.00 -1.51 0.00 0.00 72.50 70.61 2jmr s THR 147 CO 0.16 -0.15 0.55 0.00 -2.21 0.00 0.00 174.62 172.97 2jmr n ALA 148 N 2.19 -1.42 -2.71 11.08 0.00 -1.19 -4.77 120.51 123.69 2jmr n ALA 148 Ca -0.17 -0.59 -0.18 0.00 0.00 0.00 0.00 53.44 52.51 2jmr n ALA 148 Cb 0.57 0.35 -0.14 0.00 0.00 0.00 0.00 19.45 20.23 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 -2.32 0.77 -0.55 0.00 -4.23 -1.18 -1.27 115.64 106.86 2jmr s THR 149 Ca 0.12 -0.70 -0.02 0.00 -1.18 0.00 0.00 61.69 59.92 2jmr s THR 149 Cb -0.02 -0.70 0.14 0.00 1.34 0.00 0.00 72.50 73.26 2jmr s THR 149 CO 0.04 0.01 0.35 0.72 -0.54 0.00 0.00 174.62 175.20 2jmr s PHE 150 N -0.63 3.43 -0.20 3.99 -0.12 -0.75 -2.16 117.98 121.54 2jmr s PHE 150 Ca 0.00 -2.72 -0.29 0.00 -0.05 0.00 0.00 56.93 53.86 2jmr s PHE 150 Cb -0.06 -3.14 0.00 0.00 -0.63 0.00 0.00 43.02 39.19 2jmr s PHE 150 CO 0.00 -0.86 1.07 0.95 -0.05 0.00 0.00 175.22 176.33 2jmr s THR 151 N 0.22 4.64 0.11 -4.49 -4.23 -0.06 -4.76 115.64 107.05 2jmr s THR 151 Ca 0.15 1.96 -0.30 0.00 -1.18 0.00 0.00 61.69 62.32 2jmr s THR 151 Cb -0.22 -4.27 -0.06 0.00 1.34 0.00 0.00 72.50 69.30 2jmr s THR 151 CO -0.03 -0.14 0.98 -0.76 -0.54 0.00 0.00 174.62 174.13 2jmr s LEU 152 N 3.00 4.49 0.52 4.79 2.01 -1.26 -0.52 118.68 131.70 2jmr s LEU 152 Ca 0.46 1.81 -0.16 0.00 0.01 0.00 0.00 54.13 56.25 2jmr s LEU 152 Cb -0.17 -3.59 -0.08 0.00 0.01 0.00 0.00 46.19 42.37 2jmr s LEU 152 CO 0.10 -0.10 0.99 -1.61 1.01 0.00 0.00 176.35 176.73 2jmr s GLU 153 N 0.06 3.93 0.20 1.70 0.41 0.32 -4.70 118.70 120.62 2jmr s GLU 153 Ca 0.48 0.95 0.11 0.00 -0.41 0.00 0.00 54.97 56.10 2jmr s GLU 153 Cb -0.24 -2.13 -0.04 0.00 -1.78 0.00 0.00 34.13 29.94 2jmr s GLU 153 CO 0.30 -0.29 -0.23 0.71 -0.49 0.00 0.00 175.26 175.26 2jmr s TYR 154 N -2.64 2.23 -1.06 1.61 2.02 -1.26 -1.08 117.35 117.18 2jmr s TYR 154 Ca 0.59 -0.37 -0.23 0.00 -0.37 0.00 0.00 57.07 56.69 2jmr s TYR 154 Cb -0.10 -1.09 -0.03 0.00 -0.40 0.00 0.00 41.96 40.34 2jmr s TYR 154 CO 0.32 0.51 1.85 -1.14 -1.57 0.00 0.00 175.55 175.51 2jmr s GLN 155 N -2.80 2.85 0.44 -0.62 2.00 -0.92 -4.88 119.66 115.74 2jmr s GLN 155 Ca 0.21 -0.89 0.03 0.00 -2.00 0.00 0.00 55.36 52.71 2jmr s GLN 155 Cb -0.07 -5.22 -0.03 0.00 0.80 0.00 0.00 33.01 28.48 2jmr s GLN 155 CO 0.10 -3.28 0.04 0.16 -0.50 0.00 0.00 175.29 171.81 2jmr s ASP 156 N 6.65 3.52 0.00 6.67 1.47 -1.26 -4.78 116.67 128.94 2jmr s ASP 156 Ca 0.64 -1.57 0.15 0.00 1.18 0.00 0.00 52.55 52.94 2jmr s ASP 156 Cb -0.03 0.27 -0.15 0.00 -0.34 0.00 0.00 42.92 42.68 2jmr s ASP 156 CO 0.03 -0.77 0.64 -3.20 0.68 0.00 0.00 175.17 172.55 2jmr n ASN 157 N -1.15 0.74 -4.71 2.11 2.85 -1.26 -4.97 115.26 108.87 2jmr n ASN 157 Ca -0.11 -0.87 -0.32 0.00 -0.11 0.00 0.00 54.58 53.17 2jmr n ASN 157 Cb 0.66 0.98 0.13 0.00 1.24 0.00 0.00 39.78 42.79 2jmr n ASN 157 CO 0.00 0.00 0.00 -1.00 -2.11 0.00 0.00 177.26 174.15 2jmr s HIS 158 N -2.37 1.91 0.33 1.20 3.76 -1.26 -5.08 115.29 113.78 2jmr s HIS 158 Ca 0.06 1.68 0.05 0.00 -0.15 0.00 0.00 55.06 56.70 2jmr s HIS 158 Cb 0.11 -3.37 -0.03 0.00 1.11 0.00 0.00 32.58 30.40 2jmr s HIS 158 CO 0.60 -2.62 0.21 -1.01 -0.85 0.00 0.00 174.74 171.07 2jmr s HIS 159 N -2.38 1.67 -0.82 1.40 3.76 -1.26 -4.86 115.29 112.79 2jmr s HIS 159 Ca 0.69 -1.51 0.00 0.00 -0.15 0.00 0.00 55.06 54.09 2jmr s HIS 159 Cb -0.25 -0.80 0.00 0.00 1.11 0.00 0.00 32.58 32.64 2jmr s HIS 159 CO 0.52 -0.68 0.00 0.72 -0.85 0.00 0.00 174.74 174.45 2jmr n HIS 160 N -0.63 -1.42 -1.69 1.40 8.25 -1.26 -4.84 115.22 115.03 2jmr n HIS 160 Ca 0.03 0.00 -0.42 0.00 -0.26 0.00 0.00 57.72 57.07 2jmr n HIS 160 Cb 0.64 -2.28 -0.01 0.00 1.12 0.00 0.00 29.99 29.45 2jmr n HIS 160 CO 0.00 0.00 0.00 1.58 0.64 0.00 0.00 176.34 178.56 2jmr n HIS 161 N -2.95 3.27 0.27 4.41 -0.00 -1.26 -4.74 115.22 114.22 2jmr n HIS 161 Ca -0.11 -2.70 0.16 0.00 -0.00 0.00 0.00 57.72 55.07 2jmr n HIS 161 Cb 0.54 -2.39 0.65 0.00 -0.00 0.00 0.00 29.99 28.80 2jmr n HIS 161 CO 0.00 0.00 0.00 0.45 -0.00 0.00 0.00 176.34 176.79 2jmr h HIS 162 N 6.59 0.00 -2.63 1.57 3.86 -2.03 -3.42 115.15 119.09 2jmr h HIS 162 Ca 0.52 0.00 -0.54 0.00 -1.16 0.00 0.00 60.37 59.20 2jmr h HIS 162 Cb 0.67 0.00 0.01 0.00 1.06 0.00 0.00 27.41 29.15 2jmr h HIS 162 CO 1.41 0.06 1.05 -1.01 0.86 0.00 0.00 177.93 180.30 2jmr s HIS 163 N -3.71 2.16 0.25 2.45 4.02 -1.26 -4.97 115.29 114.22 2jmr s HIS 163 Ca 0.01 0.18 -0.31 0.00 1.02 0.00 0.00 55.06 55.96 2jmr s HIS 163 Cb 0.10 -3.99 -0.13 0.00 -1.02 0.00 0.00 32.58 27.53 2jmr s HIS 163 CO 0.56 -4.09 1.40 0.36 1.02 0.00 0.00 174.74 174.00 2jmr n LYS 164 N 6.26 2.04 -0.33 1.40 2.85 -1.26 -4.88 118.16 124.23 2jmr n LYS 164 Ca 0.17 0.73 0.22 0.00 -1.05 0.00 0.00 58.31 58.37 2jmr n LYS 164 Cb 0.41 -2.38 0.49 0.00 -0.65 0.00 0.00 35.03 32.90 2jmr n LYS 164 CO 0.00 0.00 0.00 -0.56 -0.05 0.00 0.00 177.40 176.79 2jmr h GLN 165 N 4.10 0.41 0.00 -1.58 -0.00 -1.93 -3.45 115.11 112.67 2jmr h GLN 165 Ca -0.45 -0.02 0.08 0.00 -0.00 0.00 0.00 58.65 58.25 2jmr h GLN 165 Cb 1.28 -0.09 -0.01 0.00 -0.00 0.00 0.00 27.48 28.65 2jmr h GLN 165 CO 0.75 0.27 0.32 0.00 -0.00 0.00 0.00 178.83 180.17 2jmr n ALA 166 N -2.45 -1.47 0.68 0.06 0.00 -1.26 -5.06 120.51 111.02 2jmr n ALA 166 Ca 0.25 -0.60 0.10 0.00 0.00 0.00 0.00 53.44 53.20 2jmr n ALA 166 Cb 0.85 0.35 0.12 0.00 0.00 0.00 0.00 19.45 20.77 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 -1.02 2.91 -1.06 0.00 8.00 -1.26 -4.85 116.55 119.27 2jmr n ASP 167 Ca -0.02 -1.89 -0.05 0.00 0.71 0.00 0.00 54.79 53.54 2jmr n ASP 167 Cb 0.33 -0.07 -0.05 0.00 -0.02 0.00 0.00 41.12 41.31 2jmr n ASP 167 CO 0.00 0.00 0.00 -1.20 -0.39 0.00 0.00 177.20 175.61 2jmr n SER 168 N 1.22 -0.35 -4.83 -2.24 7.64 -1.26 -4.82 113.62 108.97 2jmr n SER 168 Ca 0.14 -0.14 -0.31 0.00 1.01 0.00 0.00 58.87 59.57 2jmr n SER 168 Cb 0.53 -0.13 0.06 0.00 -1.01 0.00 0.00 64.21 63.66 2jmr n SER 168 CO 0.00 0.00 0.00 0.42 -3.01 0.00 0.00 175.04 172.45 2jmr s THR 169 N 0.00 3.76 -0.11 0.44 -4.23 -1.26 -1.82 115.64 112.42 2jmr s THR 169 Ca 0.30 0.57 -0.00 0.00 -1.18 0.00 0.00 61.69 61.38 2jmr s THR 169 Cb -0.19 -3.39 0.02 0.00 1.34 0.00 0.00 72.50 70.29 2jmr s THR 169 CO 0.13 -0.75 -0.09 -0.51 -0.54 0.00 0.00 174.62 172.87 2jmr s ILE 170 N -3.14 1.06 -0.38 2.99 -1.16 -0.40 -2.38 121.20 117.80 2jmr s ILE 170 Ca 0.58 -0.33 0.01 0.00 -0.51 0.00 0.00 60.65 60.40 2jmr s ILE 170 Cb -0.13 -1.06 0.12 0.00 0.61 0.00 0.00 42.46 42.00 2jmr s ILE 170 CO 0.54 0.37 0.18 -0.89 -2.81 0.00 0.00 174.94 172.33 2jmr s THR 171 N 1.55 1.19 0.03 4.00 2.01 -0.93 -3.18 115.64 120.31 2jmr s THR 171 Ca 0.02 -2.09 -0.22 0.00 0.31 0.00 0.00 61.69 59.72 2jmr s THR 171 Cb -0.13 -1.86 -0.06 0.00 0.01 0.00 0.00 72.50 70.46 2jmr s THR 171 CO -0.07 -0.81 0.65 -0.63 -0.69 0.00 0.00 174.62 173.08 2jmr s ILE 172 N 0.87 4.80 -0.05 1.82 1.01 -1.25 -2.06 121.20 126.34 2jmr s ILE 172 Ca 0.14 1.38 0.06 0.00 0.00 0.00 0.00 60.65 62.23 2jmr s ILE 172 Cb -0.22 -3.99 -0.02 0.00 0.01 0.00 0.00 42.46 38.24 2jmr s ILE 172 CO -0.09 0.43 -0.23 -0.13 0.00 0.00 0.00 174.94 174.92 2jmr s ARG 173 N -0.32 2.52 0.39 2.79 1.81 -0.06 -3.63 118.95 122.43 2jmr s ARG 173 Ca 0.33 -0.86 -0.15 0.00 -1.72 0.00 0.00 55.73 53.33 2jmr s ARG 173 Cb -0.19 -2.21 0.06 0.00 -0.45 0.00 0.00 34.95 32.16 2jmr s ARG 173 CO 0.20 0.44 0.79 0.20 -0.68 0.00 0.00 175.30 176.25 2jmr s GLY 174 N -0.31 0.40 -0.15 -3.53 0.00 -0.75 -0.76 107.32 102.23 2jmr s GLY 174 Ca 0.01 -0.78 -0.05 0.00 0.00 0.00 0.00 44.72 43.90 2jmr s GLY 174 CO 0.02 -0.33 0.30 -0.47 0.00 0.00 0.00 173.10 172.63 2jmr s TYR 175 N -2.24 -0.51 -0.29 1.90 6.14 -1.26 -0.74 117.35 120.35 2jmr s TYR 175 Ca 0.16 1.07 -0.26 0.00 0.64 0.00 0.00 57.07 58.68 2jmr s TYR 175 Cb -0.05 0.03 0.01 0.00 0.42 0.00 0.00 41.96 42.37 2jmr s TYR 175 CO 0.12 -0.40 0.92 0.08 0.64 0.00 0.00 175.55 176.91 2jmr s VAL 176 N 2.46 4.70 -0.32 3.14 1.01 0.37 -0.91 120.40 130.85 2jmr s VAL 176 Ca 0.01 1.55 -0.29 0.00 0.00 0.00 0.00 61.98 63.25 2jmr s VAL 176 Cb -0.12 -4.25 0.01 0.00 0.00 0.00 0.00 36.38 32.03 2jmr s VAL 176 CO -0.10 -0.27 1.13 -0.13 0.00 0.00 0.00 175.10 175.73 2jmr s ARG 177 N 3.18 4.03 0.61 2.72 1.81 0.63 -3.90 118.95 128.03 2jmr s ARG 177 Ca 0.38 1.11 0.31 0.00 -1.72 0.00 0.00 55.73 55.81 2jmr s ARG 177 Cb -0.14 -3.77 1.70 0.00 -0.45 0.00 0.00 34.95 32.29 2jmr s ARG 177 CO 0.11 -0.96 2.05 0.38 -0.68 0.00 0.00 175.30 176.21 2jmr h ASP 178 N 8.37 0.00 0.00 0.23 2.03 -1.95 0.34 116.42 125.45 2jmr h ASP 178 Ca -0.22 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.08 2jmr h ASP 178 Cb 1.07 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.57 2jmr h ASP 178 CO 1.03 0.00 0.00 -3.20 -1.03 0.00 0.00 179.24 176.04