#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jmr s ALA 2 N 0.00 0.33 0.52 -5.12 0.00 -1.26 -5.05 121.76 111.18 2jmr s ALA 2 Ca 0.00 0.07 0.03 0.00 0.00 0.00 0.00 51.96 52.06 2jmr s ALA 2 Cb 0.00 -3.29 0.03 0.00 0.00 0.00 0.00 23.12 19.86 2jmr s ALA 2 CO 0.00 -3.35 0.24 -0.25 0.00 0.00 0.00 175.76 172.40 2jmr n ASP 3 N -4.59 2.95 -4.69 0.00 8.00 -1.26 -5.12 116.55 111.84 2jmr n ASP 3 Ca 0.06 -2.95 -0.30 0.00 0.71 0.00 0.00 54.79 52.30 2jmr n ASP 3 Cb 0.54 0.11 0.15 0.00 -0.02 0.00 0.00 41.12 41.90 2jmr n ASP 3 CO 0.00 0.00 0.00 -0.44 -0.39 0.00 0.00 177.20 176.37 2jmr s SER 4 N -3.95 3.24 -0.25 -2.24 0.01 -1.26 -4.11 113.70 105.13 2jmr s SER 4 Ca 0.18 1.87 0.00 0.00 1.31 0.00 0.00 55.95 59.31 2jmr s SER 4 Cb -0.01 -2.45 0.00 0.00 0.21 0.00 0.00 66.02 63.77 2jmr s SER 4 CO 0.12 -2.85 0.00 0.35 0.41 0.00 0.00 173.24 171.27 2jmr n THR 5 N -4.05 0.00 -1.62 1.44 -2.24 -1.26 -4.93 114.28 101.63 2jmr n THR 5 Ca 0.09 0.00 -0.43 0.00 -2.27 0.00 0.00 64.05 61.44 2jmr n THR 5 Cb 0.53 -0.88 -0.03 0.00 -2.10 0.00 0.00 70.33 67.85 2jmr n THR 5 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2jmr n ILE 6 N -2.30 0.48 -0.88 2.28 0.13 -1.26 -2.07 119.36 115.74 2jmr n ILE 6 Ca -0.02 -0.35 0.00 0.00 -1.10 0.00 0.00 62.75 61.27 2jmr n ILE 6 Cb 0.39 -2.45 0.00 0.00 -0.84 0.00 0.00 39.64 36.74 2jmr n ILE 6 CO 0.00 0.00 0.00 0.41 2.80 0.00 0.00 176.55 179.76 2jmr n THR 7 N 7.01 0.00 -0.00 9.51 -1.04 -1.21 -4.85 114.28 123.69 2jmr n THR 7 Ca 0.27 0.00 0.13 0.00 -2.04 0.00 0.00 64.05 62.41 2jmr n THR 7 Cb 0.43 -0.72 0.57 0.00 -1.82 0.00 0.00 70.33 68.79 2jmr n THR 7 CO 0.00 0.00 0.00 0.40 -0.64 0.00 0.00 175.07 174.83 2jmr h ILE 8 N 0.00 0.87 0.00 12.58 1.08 -1.78 0.14 117.51 130.41 2jmr h ILE 8 Ca 0.00 -0.08 0.00 0.00 -0.39 0.00 0.00 64.86 64.39 2jmr h ILE 8 Cb 0.59 0.62 0.00 0.00 -3.07 0.00 0.00 36.82 34.96 2jmr h ILE 8 CO 0.00 0.04 0.00 -1.14 -0.69 0.00 0.00 178.15 176.36 2jmr n ARG 9 N -4.46 0.01 -2.93 2.37 3.00 -1.26 -4.48 116.66 108.91 2jmr n ARG 9 Ca 0.08 0.10 -0.02 0.00 -0.00 0.00 0.00 57.85 58.01 2jmr n ARG 9 Cb 0.38 -1.51 0.00 0.00 0.00 0.00 0.00 32.46 31.34 2jmr n ARG 9 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.63 177.83 2jmr s GLY 10 N -3.02 -1.27 -0.20 5.14 0.00 0.49 -5.11 107.32 103.34 2jmr s GLY 10 Ca 0.11 -0.15 -0.02 0.00 0.00 0.00 0.00 44.72 44.66 2jmr s GLY 10 CO 0.43 3.68 0.01 -0.47 0.00 0.00 0.00 173.10 176.75 2jmr s TYR 11 N 1.25 1.37 -0.24 1.90 5.04 -1.15 -4.82 117.35 120.70 2jmr s TYR 11 Ca 0.24 -1.08 -0.00 0.00 -2.44 0.00 0.00 57.07 53.80 2jmr s TYR 11 Cb -0.01 -1.16 -0.15 0.00 0.35 0.00 0.00 41.96 40.99 2jmr s TYR 11 CO -0.06 -0.65 -0.22 1.33 -1.34 0.00 0.00 175.55 174.61 2jmr n VAL 12 N 4.96 1.35 -3.56 3.14 0.24 -1.26 -5.05 118.33 118.14 2jmr n VAL 12 Ca -0.10 -0.49 -0.16 0.00 -2.04 0.00 0.00 64.34 61.56 2jmr n VAL 12 Cb 0.46 -1.40 -0.06 0.00 -1.47 0.00 0.00 33.84 31.37 2jmr n VAL 12 CO 0.00 0.00 0.00 -0.60 -2.14 0.00 0.00 176.83 174.09 2jmr s ARG 13 N -2.47 0.91 -0.79 7.34 3.00 -1.26 -5.07 118.95 120.62 2jmr s ARG 13 Ca -0.32 0.45 -0.14 0.00 -1.00 0.00 0.00 55.73 54.72 2jmr s ARG 13 Cb 0.09 0.44 0.21 0.00 0.00 0.00 0.00 34.95 35.68 2jmr s ARG 13 CO 0.53 -0.24 0.73 0.16 0.00 0.00 0.00 175.30 176.48 2jmr s ASP 14 N -0.71 6.68 0.00 -2.12 -4.77 -1.26 -3.90 116.67 110.59 2jmr s ASP 14 Ca -0.06 -2.58 0.00 0.00 -3.30 0.00 0.00 52.55 46.61 2jmr s ASP 14 Cb -0.02 -2.21 0.00 0.00 -1.09 0.00 0.00 42.92 39.61 2jmr s ASP 14 CO 0.06 -0.61 0.00 0.59 0.70 0.00 0.00 175.17 175.91 2jmr n ASN 15 N 4.13 0.00 -3.32 2.11 5.03 -1.09 -4.65 115.26 117.46 2jmr n ASN 15 Ca 0.10 0.00 -0.08 0.00 0.87 0.00 0.00 54.58 55.47 2jmr n ASN 15 Cb 0.46 0.00 0.00 0.00 -1.02 0.00 0.00 39.78 39.22 2jmr n ASN 15 CO 0.00 0.00 0.00 -0.83 -1.83 0.00 0.00 177.26 174.60 2jmr s GLY 16 N -0.73 0.20 -0.36 7.41 0.00 -1.26 -4.71 107.32 107.86 2jmr s GLY 16 Ca 0.00 -0.58 0.01 0.00 0.00 0.00 0.00 44.72 44.15 2jmr s GLY 16 CO 0.00 -0.23 0.15 0.00 0.00 0.00 0.00 173.10 173.02 2jmr n SER 18 N 4.28 -1.19 -4.70 0.00 2.88 -1.09 -4.71 113.62 109.09 2jmr n SER 18 Ca 0.03 0.38 -0.42 0.00 -1.33 0.00 0.00 58.87 57.52 2jmr n SER 18 Cb 0.39 -1.30 -0.03 0.00 -0.75 0.00 0.00 64.21 62.52 2jmr n SER 18 CO 0.00 0.00 0.00 -0.69 -1.23 0.00 0.00 175.04 173.12 2jmr s VAL 19 N -2.44 4.60 0.91 2.46 1.01 -1.26 -1.00 120.40 124.68 2jmr s VAL 19 Ca 0.61 1.88 -0.11 0.00 0.00 0.00 0.00 61.98 64.35 2jmr s VAL 19 Cb -0.23 -4.21 0.14 0.00 0.00 0.00 0.00 36.38 32.09 2jmr s VAL 19 CO 0.64 0.06 1.09 0.00 0.00 0.00 0.00 175.10 176.89 2jmr s ALA 20 N 1.65 1.43 0.27 5.51 0.00 -0.78 -4.75 121.76 125.10 2jmr s ALA 20 Ca 0.52 0.05 -0.01 0.00 0.00 0.00 0.00 51.96 52.52 2jmr s ALA 20 Cb -0.22 -3.24 0.46 0.00 0.00 0.00 0.00 23.12 20.12 2jmr s ALA 20 CO 0.23 -2.48 1.88 0.00 0.00 0.00 0.00 175.76 175.39 2jmr h ALA 21 N -1.64 1.44 0.00 0.00 0.00 -1.91 0.06 119.26 117.20 2jmr h ALA 21 Ca -0.49 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.41 2jmr h ALA 21 Cb 1.28 -0.28 0.00 0.00 0.00 0.00 0.00 17.79 18.79 2jmr h ALA 21 CO 0.52 0.39 0.00 -0.85 0.00 0.00 0.00 179.25 179.31 2jmr n GLU 22 N -4.52 0.19 0.00 0.00 0.28 -1.26 -2.69 120.64 112.63 2jmr n GLU 22 Ca 0.16 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 57.16 2jmr n GLU 22 Cb 0.22 -1.38 0.00 0.00 1.43 0.00 0.00 31.44 31.72 2jmr n GLU 22 CO 0.00 0.00 0.00 -1.13 -0.16 0.00 0.00 177.13 175.84 2jmr n SER 23 N -0.88 2.08 -0.03 -1.84 3.41 -0.04 -4.68 113.62 111.64 2jmr n SER 23 Ca 0.03 0.00 -0.13 0.00 -0.26 0.00 0.00 58.87 58.52 2jmr n SER 23 Cb 0.02 0.36 -0.08 0.00 -0.26 0.00 0.00 64.21 64.24 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 1.31 -2.79 6.66 1.03 -1.22 -3.42 112.91 114.47 2jmr h THR 24 Ca 0.00 -0.98 -0.60 0.00 -0.01 0.00 0.00 66.41 64.82 2jmr h THR 24 Cb 0.12 1.81 -0.40 0.00 -1.07 0.00 0.00 68.15 68.61 2jmr h THR 24 CO 0.00 0.27 -0.79 0.20 -0.01 0.00 0.00 175.52 175.19 2jmr s ASN 25 N -5.75 3.27 0.20 0.00 0.01 -1.19 -1.54 114.94 109.94 2jmr s ASN 25 Ca -0.15 -2.50 0.01 0.00 -0.71 0.00 0.00 52.86 49.50 2jmr s ASN 25 Cb 0.04 -0.76 -0.00 0.00 0.41 0.00 0.00 41.25 40.94 2jmr s ASN 25 CO 0.70 -0.27 0.25 2.22 -1.51 0.00 0.00 177.10 178.49 2jmr n PHE 26 N 3.67 -0.86 -4.22 2.20 -1.74 -1.26 -4.84 117.46 110.40 2jmr n PHE 26 Ca 0.11 -1.44 -0.17 0.00 -0.56 0.00 0.00 57.45 55.39 2jmr n PHE 26 Cb 0.36 0.28 -0.11 0.00 1.52 0.00 0.00 39.48 41.53 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 -2.69 1.23 -0.22 1.97 2.01 -1.26 -4.17 115.64 112.50 2jmr s THR 27 Ca 0.19 -1.67 0.00 0.00 0.31 0.00 0.00 61.69 60.52 2jmr s THR 27 Cb -0.00 -1.46 0.03 0.00 0.01 0.00 0.00 72.50 71.08 2jmr s THR 27 CO 0.13 -0.43 -0.13 -0.69 -0.69 0.00 0.00 174.62 172.81 2jmr s VAL 28 N -2.14 2.41 -0.39 3.82 1.01 -0.64 -4.97 120.40 119.50 2jmr s VAL 28 Ca 0.07 -1.06 -0.29 0.00 0.00 0.00 0.00 61.98 60.70 2jmr s VAL 28 Cb -0.05 -2.16 0.02 0.00 0.00 0.00 0.00 36.38 34.19 2jmr s VAL 28 CO 0.02 0.32 1.11 -0.62 0.00 0.00 0.00 175.10 175.93 2jmr s ASP 29 N 1.28 6.79 -0.57 3.32 2.15 -1.26 -1.28 116.67 127.09 2jmr s ASP 29 Ca 0.01 0.77 -0.13 0.00 0.43 0.00 0.00 52.55 53.63 2jmr s ASP 29 Cb -0.15 -2.55 0.14 0.00 -0.30 0.00 0.00 42.92 40.06 2jmr s ASP 29 CO -0.08 -1.06 0.50 -0.76 -0.17 0.00 0.00 175.17 173.60 2jmr s LEU 30 N 4.05 6.13 1.00 -1.34 1.02 -0.56 -4.97 118.68 124.01 2jmr s LEU 30 Ca 0.47 -2.01 -0.21 0.00 0.02 0.00 0.00 54.13 52.39 2jmr s LEU 30 Cb -0.10 -2.15 -0.15 0.00 0.02 0.00 0.00 46.19 43.81 2jmr s LEU 30 CO 0.23 -0.75 -1.01 1.15 0.02 0.00 0.00 176.35 175.99 2jmr n MET 31 N 4.88 -0.07 -0.65 1.70 0.00 -1.26 -3.87 117.12 117.84 2jmr n MET 31 Ca -0.07 -0.02 -0.30 0.00 0.00 0.00 0.00 57.70 57.31 2jmr n MET 31 Cb 0.41 -1.06 0.20 0.00 0.00 0.00 0.00 33.22 32.77 2jmr n MET 31 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 175.97 174.76 2jmr s GLU 32 N -2.13 0.21 0.00 3.17 8.01 -1.26 -4.53 118.70 122.17 2jmr s GLU 32 Ca 0.40 1.22 0.00 0.00 0.01 0.00 0.00 54.97 56.60 2jmr s GLU 32 Cb -0.07 -1.66 0.00 0.00 -4.31 0.00 0.00 34.13 28.09 2jmr s GLU 32 CO 0.75 -3.08 0.00 0.27 0.01 0.00 0.00 175.26 173.21 2jmr n ASN 33 N -4.51 0.00 0.00 -0.19 0.23 -0.42 -4.95 115.26 105.42 2jmr n ASN 33 Ca 0.08 0.00 0.00 0.00 -0.53 0.00 0.00 54.58 54.13 2jmr n ASN 33 Cb 0.53 0.00 0.00 0.00 -2.08 0.00 0.00 39.78 38.23 2jmr n ASN 33 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 2jmr n ALA 34 N -3.00 0.00 -0.07 -2.53 0.00 -1.26 -3.99 120.51 109.65 2jmr n ALA 34 Ca 0.00 0.00 -0.14 0.00 0.00 0.00 0.00 53.44 53.30 2jmr n ALA 34 Cb 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.43 2jmr n ALA 34 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2jmr h ALA 35 N 0.00 0.52 0.00 0.00 0.00 -0.28 -3.37 119.26 116.13 2jmr h ALA 35 Ca 0.00 -0.50 0.00 0.00 0.00 0.00 0.00 54.91 54.41 2jmr h ALA 35 Cb 0.00 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.70 2jmr h ALA 35 CO 0.00 0.68 0.00 1.63 0.00 0.00 0.00 179.25 181.56 2jmr n LYS 36 N -4.01 0.87 0.00 0.00 5.02 -1.21 -1.35 118.16 117.48 2jmr n LYS 36 Ca -0.04 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.25 2jmr n LYS 36 Cb 0.61 -1.25 0.00 0.00 -0.02 0.00 0.00 35.03 34.38 2jmr n LYS 36 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2jmr n GLN 37 N 0.32 1.04 -2.60 1.97 10.64 -1.26 -4.90 117.38 122.60 2jmr n GLN 37 Ca 0.00 0.00 -0.43 0.00 -1.83 0.00 0.00 57.00 54.74 2jmr n GLN 37 Cb 0.33 -0.92 0.01 0.00 -0.86 0.00 0.00 30.24 28.79 2jmr n GLN 37 CO 0.00 0.00 0.00 1.19 -1.83 0.00 0.00 177.06 176.42 2jmr n PHE 38 N -1.42 2.84 -2.14 2.61 3.72 -0.46 -4.66 117.46 117.96 2jmr n PHE 38 Ca 0.00 -2.77 -0.23 0.00 -0.05 0.00 0.00 57.45 54.40 2jmr n PHE 38 Cb 0.00 -1.73 0.02 0.00 -0.94 0.00 0.00 39.48 36.83 2jmr n PHE 38 CO 0.00 0.00 0.00 0.27 -0.05 0.00 0.00 176.76 176.98 2jmr n ASN 39 N 3.09 4.68 0.00 4.37 6.94 -1.26 -4.38 115.26 128.69 2jmr n ASN 39 Ca 0.35 -3.64 0.00 0.00 -0.02 0.00 0.00 54.58 51.27 2jmr n ASN 39 Cb 0.36 -0.37 0.00 0.00 -2.36 0.00 0.00 39.78 37.41 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 -0.66 0.00 0.26 0.53 2.04 -1.26 -5.00 115.26 111.17 2jmr n ASN 40 Ca 0.41 0.00 0.13 0.00 -0.44 0.00 0.00 54.58 54.68 2jmr n ASN 40 Cb 0.91 0.00 0.69 0.00 -2.53 0.00 0.00 39.78 38.85 2jmr n ASN 40 CO 0.00 0.00 0.00 0.40 -0.44 0.00 0.00 177.26 177.22 2jmr h ILE 41 N 1.98 0.44 0.00 1.53 5.03 -1.87 -1.98 117.51 122.64 2jmr h ILE 41 Ca 0.00 -0.64 0.00 0.00 -0.12 0.00 0.00 64.86 64.10 2jmr h ILE 41 Cb 0.00 1.45 0.00 0.00 -3.03 0.00 0.00 36.82 35.24 2jmr h ILE 41 CO 0.00 0.12 0.00 0.61 -0.68 0.00 0.00 178.15 178.20 2jmr n GLY 42 N -0.40 -0.39 2.85 5.37 0.00 -1.26 -4.37 105.19 107.00 2jmr n GLY 42 Ca -0.01 -0.07 -0.42 0.00 0.00 0.00 0.00 46.02 45.52 2jmr n GLY 42 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2jmr n ALA 43 N -1.02 4.73 -2.60 4.61 0.00 -0.75 -4.92 120.51 120.57 2jmr n ALA 43 Ca 0.08 -3.60 -0.43 0.00 0.00 0.00 0.00 53.44 49.50 2jmr n ALA 43 Cb 0.04 -3.56 -0.02 0.00 0.00 0.00 0.00 19.45 15.92 2jmr n ALA 43 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 2jmr s THR 44 N 3.87 4.18 1.04 0.00 -4.23 -1.26 -3.95 115.64 115.29 2jmr s THR 44 Ca 0.52 1.18 -0.12 0.00 -1.18 0.00 0.00 61.69 62.09 2jmr s THR 44 Cb 0.14 -4.62 0.21 0.00 1.34 0.00 0.00 72.50 69.58 2jmr s THR 44 CO -0.01 -1.05 1.07 0.42 -0.54 0.00 0.00 174.62 174.51 2jmr s THR 45 N 4.51 2.15 -0.57 3.99 -4.23 -1.26 -4.94 115.64 115.29 2jmr s THR 45 Ca 0.47 0.05 -0.27 0.00 -1.18 0.00 0.00 61.69 60.76 2jmr s THR 45 Cb -0.07 -2.35 -0.02 0.00 1.34 0.00 0.00 72.50 71.41 2jmr s THR 45 CO 0.31 -0.06 1.80 -2.16 -0.54 0.00 0.00 174.62 173.97 2jmr s PRO 46 N -4.75 2.80 0.65 3.99 0.04 -1.26 -4.97 135.00 131.50 2jmr s PRO 46 Ca 0.66 0.69 -0.18 0.00 0.04 0.00 0.00 61.00 62.22 2jmr s PRO 46 Cb -0.21 -4.33 -0.02 0.00 0.04 0.00 0.00 34.50 29.98 2jmr s PRO 46 CO 0.60 -2.52 1.16 1.33 0.04 0.00 0.00 177.00 177.60 2jmr n VAL 47 N 7.19 4.32 -3.52 -0.36 0.24 -1.26 -4.97 118.33 119.97 2jmr n VAL 47 Ca 0.20 -0.48 -0.38 0.00 -2.04 0.00 0.00 64.34 61.64 2jmr n VAL 47 Cb 0.51 -1.34 -0.06 0.00 -1.47 0.00 0.00 33.84 31.48 2jmr n VAL 47 CO 0.00 0.00 0.00 0.54 -2.14 0.00 0.00 176.83 175.23 2jmr s VAL 48 N -1.49 5.05 0.40 3.34 0.11 0.11 -4.95 120.40 122.97 2jmr s VAL 48 Ca 0.80 0.81 -0.23 0.00 -2.93 0.00 0.00 61.98 60.43 2jmr s VAL 48 Cb -0.38 -3.70 -0.10 0.00 -1.53 0.00 0.00 36.38 30.67 2jmr s VAL 48 CO 0.43 0.58 0.98 -2.16 -3.33 0.00 0.00 175.10 171.60 2jmr s PRO 49 N -1.08 4.26 0.17 1.54 0.04 -1.26 -1.32 135.00 137.35 2jmr s PRO 49 Ca 0.23 1.28 -0.13 0.00 0.04 0.00 0.00 61.00 62.42 2jmr s PRO 49 Cb -0.16 -2.40 0.01 0.00 0.04 0.00 0.00 34.50 31.98 2jmr s PRO 49 CO 0.13 -0.01 0.40 0.12 0.04 0.00 0.00 177.00 177.67 2jmr s PHE 50 N -1.91 0.11 -0.03 0.56 5.36 0.10 -4.84 117.98 117.33 2jmr s PHE 50 Ca 0.59 -0.46 -0.28 0.00 -0.96 0.00 0.00 56.93 55.81 2jmr s PHE 50 Cb -0.15 0.17 0.06 0.00 -0.34 0.00 0.00 43.02 42.77 2jmr s PHE 50 CO 0.19 -0.80 0.61 -0.98 -1.46 0.00 0.00 175.22 172.79 2jmr s ARG 51 N -3.91 1.01 0.42 10.12 1.04 -1.26 -0.75 118.95 125.62 2jmr s ARG 51 Ca 0.12 0.13 -0.24 0.00 -1.04 0.00 0.00 55.73 54.70 2jmr s ARG 51 Cb 0.01 0.47 -0.08 0.00 -2.04 0.00 0.00 34.95 33.31 2jmr s ARG 51 CO -0.03 -0.32 1.10 0.42 -0.04 0.00 0.00 175.30 176.43 2jmr s ILE 52 N -1.41 3.47 -0.29 4.99 -1.09 -1.25 -4.93 121.20 120.70 2jmr s ILE 52 Ca -0.10 1.13 -0.04 0.00 -2.23 0.00 0.00 60.65 59.41 2jmr s ILE 52 Cb -0.01 -3.59 0.03 0.00 -1.58 0.00 0.00 42.46 37.31 2jmr s ILE 52 CO 0.07 0.01 0.02 -0.22 -1.23 0.00 0.00 174.94 173.60 2jmr s LEU 53 N -2.74 3.70 -0.56 2.97 1.98 -1.26 -3.58 118.68 119.19 2jmr s LEU 53 Ca 0.59 -0.91 -0.14 0.00 -2.89 0.00 0.00 54.13 50.78 2jmr s LEU 53 Cb -0.25 -1.78 0.14 0.00 0.66 0.00 0.00 46.19 44.96 2jmr s LEU 53 CO 0.31 -0.20 0.50 -0.76 -1.89 0.00 0.00 176.35 174.31 2jmr s LEU 54 N 1.39 6.14 0.12 -0.68 2.01 -0.12 -1.87 118.68 125.67 2jmr s LEU 54 Ca -0.00 -1.92 -0.09 0.00 0.01 0.00 0.00 54.13 52.13 2jmr s LEU 54 Cb -0.18 -2.17 -0.00 0.00 0.01 0.00 0.00 46.19 43.85 2jmr s LEU 54 CO -0.00 -0.79 0.23 -0.94 1.01 0.00 0.00 176.35 175.86 2jmr s SER 55 N 3.24 0.08 0.86 2.29 1.04 -0.17 -1.56 113.70 119.48 2jmr s SER 55 Ca 0.05 -0.75 -0.11 0.00 0.48 0.00 0.00 55.95 55.62 2jmr s SER 55 Cb -0.27 0.38 0.11 0.00 0.10 0.00 0.00 66.02 66.34 2jmr s SER 55 CO 0.01 -0.80 1.09 -2.16 0.98 0.00 0.00 173.24 172.36 2jmr s PRO 56 N -3.91 1.58 0.43 4.02 0.04 -1.26 -2.87 135.00 133.02 2jmr s PRO 56 Ca 0.10 1.05 0.03 0.00 0.04 0.00 0.00 61.00 62.22 2jmr s PRO 56 Cb 0.04 -1.83 -0.03 0.00 0.04 0.00 0.00 34.50 32.73 2jmr s PRO 56 CO -0.06 -2.08 0.08 0.00 0.04 0.00 0.00 177.00 174.97 2jmr s GLY 58 N -3.68 0.98 0.40 0.00 0.00 -1.25 -3.79 107.32 99.97 2jmr s GLY 58 Ca 0.20 -1.41 0.06 0.00 0.00 0.00 0.00 44.72 43.58 2jmr s GLY 58 CO 0.11 -1.51 2.05 -0.57 0.00 0.00 0.00 173.10 173.18 2jmr h ASN 59 N 2.96 0.53 -3.18 1.64 -0.73 -1.90 -3.16 115.58 111.73 2jmr h ASN 59 Ca -0.36 -0.01 -0.62 0.00 1.87 0.00 0.00 56.30 57.18 2jmr h ASN 59 Cb 1.19 -0.13 -0.41 0.00 0.27 0.00 0.00 38.32 39.24 2jmr h ASN 59 CO 0.62 0.38 -0.67 0.00 -0.37 0.00 0.00 177.43 177.38 2jmr s ALA 60 N -5.54 3.12 0.04 1.57 0.00 -1.26 -4.79 121.76 114.89 2jmr s ALA 60 Ca -0.09 -3.37 -0.00 0.00 0.00 0.00 0.00 51.96 48.50 2jmr s ALA 60 Cb 0.18 -2.03 -0.03 0.00 0.00 0.00 0.00 23.12 21.23 2jmr s ALA 60 CO 0.74 -2.06 -0.03 0.14 0.00 0.00 0.00 175.76 174.54 2jmr s VAL 61 N -0.82 0.20 -0.00 0.00 -7.23 -1.26 -2.68 120.40 108.61 2jmr s VAL 61 Ca 0.24 -1.34 -0.01 0.00 -1.81 0.00 0.00 61.98 59.06 2jmr s VAL 61 Cb -0.08 -0.87 -0.00 0.00 0.56 0.00 0.00 36.38 35.99 2jmr s VAL 61 CO -0.13 -0.72 -0.01 -1.20 -0.31 0.00 0.00 175.10 172.72 2jmr n SER 62 N 0.89 0.15 -4.01 4.85 7.64 -1.26 -4.74 113.62 117.14 2jmr n SER 62 Ca -0.19 0.02 -0.10 0.00 1.01 0.00 0.00 58.87 59.61 2jmr n SER 62 Cb 0.58 -0.24 -0.07 0.00 -1.01 0.00 0.00 64.21 63.47 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 -2.41 0.11 0.47 -0.43 0.00 -1.26 -1.05 121.76 117.18 2jmr s ALA 63 Ca -0.01 -1.01 0.01 0.00 0.00 0.00 0.00 51.96 50.95 2jmr s ALA 63 Cb 0.00 1.01 -0.00 0.00 0.00 0.00 0.00 23.12 24.13 2jmr s ALA 63 CO 0.02 -0.70 0.04 1.33 0.00 0.00 0.00 175.76 176.44 2jmr n VAL 64 N -0.27 0.00 -4.07 0.00 0.24 -1.26 -1.93 118.33 111.03 2jmr n VAL 64 Ca -0.04 -2.33 -0.10 0.00 -2.04 0.00 0.00 64.34 59.83 2jmr n VAL 64 Cb 0.63 0.56 -0.11 0.00 -1.47 0.00 0.00 33.84 33.45 2jmr n VAL 64 CO 0.00 0.00 0.00 -1.59 -2.14 0.00 0.00 176.83 173.10 2jmr s LYS 65 N -3.71 0.55 -0.17 7.34 0.00 -0.52 -4.52 119.74 118.71 2jmr s LYS 65 Ca 0.05 -0.92 -0.14 0.00 0.00 0.00 0.00 55.97 54.96 2jmr s LYS 65 Cb 0.00 -0.09 -0.05 0.00 0.00 0.00 0.00 37.83 37.70 2jmr s LYS 65 CO 0.04 -0.02 0.31 0.54 0.00 0.00 0.00 175.35 176.22 2jmr s VAL 66 N -2.31 5.29 -0.52 1.79 0.11 -1.26 -0.84 120.40 122.66 2jmr s VAL 66 Ca -0.04 0.56 -0.12 0.00 -2.93 0.00 0.00 61.98 59.46 2jmr s VAL 66 Cb -0.04 -3.64 0.13 0.00 -1.53 0.00 0.00 36.38 31.30 2jmr s VAL 66 CO -0.03 0.36 0.42 -0.83 -3.33 0.00 0.00 175.10 171.70 2jmr s GLY 67 N 0.60 2.10 -0.70 6.54 0.00 -0.29 -4.94 107.32 110.62 2jmr s GLY 67 Ca 0.17 -2.59 -0.27 0.00 0.00 0.00 0.00 44.72 42.02 2jmr s GLY 67 CO 0.05 1.15 1.31 -1.36 0.00 0.00 0.00 173.10 174.24 2jmr s PHE 68 N 1.36 2.29 -0.00 1.90 0.08 -1.26 -0.59 117.98 121.76 2jmr s PHE 68 Ca 0.06 0.09 0.04 0.00 0.12 0.00 0.00 56.93 57.23 2jmr s PHE 68 Cb -0.27 -4.57 -0.01 0.00 -0.57 0.00 0.00 43.02 37.60 2jmr s PHE 68 CO 0.00 -2.01 -0.12 0.95 -0.10 0.00 0.00 175.22 173.93 2jmr s THR 69 N 5.82 0.97 -4.55 0.64 -4.23 -0.22 -3.65 115.64 110.44 2jmr s THR 69 Ca 0.39 -0.60 0.00 0.00 -1.18 0.00 0.00 61.69 60.30 2jmr s THR 69 Cb -0.08 -0.83 0.00 0.00 1.34 0.00 0.00 72.50 72.93 2jmr s THR 69 CO 0.17 0.22 0.00 0.61 -0.54 0.00 0.00 174.62 175.09 2jmr n GLY 70 N 2.63 -1.73 3.62 3.99 0.00 -1.26 -1.37 105.19 111.06 2jmr n GLY 70 Ca -0.15 -1.22 -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 -2.75 3.14 0.22 1.61 1.01 -1.26 -4.78 120.40 117.59 2jmr s VAL 71 Ca 0.00 0.15 -0.30 0.00 0.00 0.00 0.00 61.98 61.83 2jmr s VAL 71 Cb 0.00 -3.16 -0.08 0.00 0.00 0.00 0.00 36.38 33.13 2jmr s VAL 71 CO 0.00 -0.09 0.97 0.00 0.00 0.00 0.00 175.10 175.98 2jmr s ALA 72 N 7.06 3.33 0.32 5.51 0.00 -1.26 -2.89 121.76 133.82 2jmr s ALA 72 Ca 0.93 0.66 -0.15 0.00 0.00 0.00 0.00 51.96 53.39 2jmr s ALA 72 Cb -0.33 -3.24 -0.09 0.00 0.00 0.00 0.00 23.12 19.46 2jmr s ALA 72 CO 0.36 0.11 0.74 0.34 0.00 0.00 0.00 175.76 177.30 2jmr s ASP 73 N -0.90 6.79 0.32 0.00 2.15 -1.02 -4.82 116.67 119.19 2jmr s ASP 73 Ca 0.43 1.29 0.10 0.00 0.43 0.00 0.00 52.55 54.80 2jmr s ASP 73 Cb -0.26 -2.38 0.96 0.00 -0.30 0.00 0.00 42.92 40.94 2jmr s ASP 73 CO 0.33 -0.19 1.66 -1.28 -0.17 0.00 0.00 175.17 175.51 2jmr h SER 74 N 2.32 0.32 0.00 -0.34 0.87 -1.95 -2.84 113.55 111.94 2jmr h SER 74 Ca -0.48 0.20 -0.07 0.00 -1.23 0.00 0.00 61.79 60.21 2jmr h SER 74 Cb 1.18 0.19 -0.01 0.00 -0.44 0.00 0.00 62.40 63.31 2jmr h SER 74 CO 0.65 -0.15 -0.55 0.45 -0.53 0.00 0.00 176.83 176.70 2jmr h HIS 75 N 0.28 0.00 -3.06 2.24 3.86 -1.96 -3.44 115.15 113.07 2jmr h HIS 75 Ca 0.67 0.00 -0.53 0.00 -1.16 0.00 0.00 60.37 59.35 2jmr h HIS 75 Cb 1.48 0.00 -0.40 0.00 1.06 0.00 0.00 27.41 29.55 2jmr h HIS 75 CO -0.11 0.58 -0.76 -0.80 0.86 0.00 0.00 177.93 177.70 2jmr s ASN 76 N -6.09 3.32 0.52 2.45 0.02 -1.23 -5.03 114.94 108.91 2jmr s ASN 76 Ca -0.17 -1.15 0.33 0.00 -1.02 0.00 0.00 52.86 50.85 2jmr s ASN 76 Cb 0.02 -0.54 1.81 0.00 0.02 0.00 0.00 41.25 42.56 2jmr s ASN 76 CO 0.35 -0.38 2.02 0.00 0.02 0.00 0.00 177.10 179.10 2jmr h ALA 77 N 8.28 1.04 -0.76 0.60 0.00 -1.81 -0.79 119.26 125.82 2jmr h ALA 77 Ca -0.16 0.00 0.03 0.00 0.00 0.00 0.00 54.91 54.78 2jmr h ALA 77 Cb 1.06 0.00 -0.04 0.00 0.00 0.00 0.00 17.79 18.81 2jmr h ALA 77 CO 0.40 -0.04 0.50 -0.91 0.00 0.00 0.00 179.25 179.20 2jmr h ASN 78 N 0.00 0.80 -2.50 0.00 4.21 -1.93 -3.26 115.58 112.91 2jmr h ASN 78 Ca 0.00 -0.01 -0.47 0.00 1.21 0.00 0.00 56.30 57.03 2jmr h ASN 78 Cb 0.10 -0.19 -0.00 0.00 -1.12 0.00 0.00 38.32 37.11 2jmr h ASN 78 CO 0.00 0.56 -0.31 -0.76 -1.29 0.00 0.00 177.43 175.62 2jmr s LEU 79 N -9.83 4.17 -0.08 1.61 2.01 -0.30 -4.12 118.68 112.15 2jmr s LEU 79 Ca -0.11 0.26 -0.27 0.00 0.01 0.00 0.00 54.13 54.03 2jmr s LEU 79 Cb 0.19 -3.08 -0.03 0.00 0.01 0.00 0.00 46.19 43.28 2jmr s LEU 79 CO 0.78 -0.17 0.85 -0.22 1.01 0.00 0.00 176.35 178.60 2jmr s LEU 80 N -4.12 4.29 -0.35 1.79 0.20 -0.58 -2.44 118.68 117.48 2jmr s LEU 80 Ca 0.37 1.37 -0.28 0.00 0.69 0.00 0.00 54.13 56.28 2jmr s LEU 80 Cb -0.09 -3.33 -0.02 0.00 -0.43 0.00 0.00 46.19 42.32 2jmr s LEU 80 CO 0.32 -0.27 1.81 0.00 -0.29 0.00 0.00 176.35 177.93 2jmr s ALA 81 N 1.34 2.81 1.11 5.97 0.00 -1.14 -2.58 121.76 129.27 2jmr s ALA 81 Ca 0.43 0.21 -0.18 0.00 0.00 0.00 0.00 51.96 52.43 2jmr s ALA 81 Cb -0.18 -4.04 0.15 0.00 0.00 0.00 0.00 23.12 19.05 2jmr s ALA 81 CO 0.20 -2.72 0.15 1.47 0.00 0.00 0.00 175.76 174.85 2jmr n LEU 82 N 10.50 -1.90 -4.56 0.00 -0.00 -1.26 -4.08 117.00 115.70 2jmr n LEU 82 Ca 0.23 -0.27 -0.39 0.00 -0.00 0.00 0.00 56.01 55.58 2jmr n LEU 82 Cb 0.47 -0.89 -0.03 0.00 -0.00 0.00 0.00 43.42 42.97 2jmr n LEU 82 CO 0.69 -3.23 1.85 -1.83 -0.00 0.00 0.00 177.39 174.86 2jmr s GLU 83 N -3.56 2.52 -1.15 1.47 -1.05 -0.41 -4.82 118.70 111.71 2jmr s GLU 83 Ca 0.50 1.33 -0.20 0.00 -0.15 0.00 0.00 54.97 56.46 2jmr s GLU 83 Cb -0.10 -4.46 0.08 0.00 -0.44 0.00 0.00 34.13 29.21 2jmr s GLU 83 CO 0.55 -2.81 1.54 1.21 0.95 0.00 0.00 175.26 176.71 2jmr s ASN 84 N 9.95 6.71 0.04 0.83 3.04 -1.26 -4.62 114.94 129.62 2jmr s ASN 84 Ca 0.89 -2.07 -0.05 0.00 0.04 0.00 0.00 52.86 51.67 2jmr s ASN 84 Cb -0.19 -2.54 -0.01 0.00 -1.54 0.00 0.00 41.25 36.96 2jmr s ASN 84 CO 0.27 -1.26 0.09 0.28 -3.04 0.00 0.00 177.10 173.44 2jmr s THR 85 N 4.15 0.13 0.66 -5.21 -1.32 -1.26 -5.05 115.64 107.74 2jmr s THR 85 Ca 0.48 -1.10 0.34 0.00 -1.21 0.00 0.00 61.69 60.20 2jmr s THR 85 Cb 0.01 -0.87 0.34 0.00 -1.51 0.00 0.00 72.50 70.47 2jmr s THR 85 CO -0.01 -0.61 2.05 -0.37 -2.21 0.00 0.00 174.62 173.47 2jmr h VAL 86 N 3.70 0.02 0.00 5.08 -1.51 -2.01 0.43 116.25 121.96 2jmr h VAL 86 Ca -0.32 0.00 -0.13 0.00 -1.23 0.00 0.00 66.70 65.01 2jmr h VAL 86 Cb 1.18 0.76 -0.02 0.00 -2.13 0.00 0.00 31.29 31.09 2jmr h VAL 86 CO 0.50 0.00 -0.64 -1.28 -1.23 0.00 0.00 177.57 174.92 2jmr h SER 87 N 0.00 0.00 -4.24 4.19 0.87 -1.94 -3.46 113.55 108.97 2jmr h SER 87 Ca 0.01 0.00 -0.50 0.00 -1.23 0.00 0.00 61.79 60.07 2jmr h SER 87 Cb 0.49 0.00 0.08 0.00 -0.44 0.00 0.00 62.40 62.53 2jmr h SER 87 CO -0.00 0.64 0.37 0.00 -0.53 0.00 0.00 176.83 177.31 2jmr s ALA 88 N -2.98 2.70 -0.10 6.23 0.00 0.14 -2.76 121.76 124.99 2jmr s ALA 88 Ca 0.03 0.31 -0.29 0.00 0.00 0.00 0.00 51.96 52.01 2jmr s ALA 88 Cb 0.09 -3.22 -0.02 0.00 0.00 0.00 0.00 23.12 19.97 2jmr s ALA 88 CO 0.76 -0.97 0.96 0.00 0.00 0.00 0.00 175.76 176.52 2jmr s ALA 89 N -2.62 3.38 0.77 0.00 0.00 -1.16 -4.71 121.76 117.43 2jmr s ALA 89 Ca 0.62 0.34 -0.11 0.00 0.00 0.00 0.00 51.96 52.81 2jmr s ALA 89 Cb -0.16 -3.37 0.06 0.00 0.00 0.00 0.00 23.12 19.65 2jmr s ALA 89 CO 0.42 -0.53 1.08 -1.12 0.00 0.00 0.00 175.76 175.62 2jmr s SER 90 N 1.07 4.59 -1.61 0.00 0.01 -1.24 -3.80 113.70 112.73 2jmr s SER 90 Ca 0.47 1.67 0.00 0.00 1.31 0.00 0.00 55.95 59.40 2jmr s SER 90 Cb -0.18 -2.42 0.00 0.00 0.21 0.00 0.00 66.02 63.63 2jmr s SER 90 CO 0.19 -1.96 0.00 0.61 0.41 0.00 0.00 173.24 172.49 2jmr n GLY 91 N -1.49 1.12 2.38 3.44 0.00 -1.26 -4.66 105.19 104.72 2jmr n GLY 91 Ca 0.08 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.84 2jmr n GLY 91 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2jmr n LEU 92 N -2.20 1.56 -4.74 0.99 4.77 -1.25 -0.86 117.00 115.28 2jmr n LEU 92 Ca -0.16 -4.94 -0.30 0.00 -0.03 0.00 0.00 56.01 50.57 2jmr n LEU 92 Cb 0.54 0.04 0.12 0.00 -2.33 0.00 0.00 43.42 41.79 2jmr n LEU 92 CO 0.23 1.99 0.68 -0.83 -1.33 0.00 0.00 177.39 178.14 2jmr s GLY 93 N -1.43 1.63 0.27 -0.72 0.00 -1.16 -4.81 107.32 101.10 2jmr s GLY 93 Ca 0.35 -0.01 -0.16 0.00 0.00 0.00 0.00 44.72 44.90 2jmr s GLY 93 CO -0.10 0.44 0.70 -0.42 0.00 0.00 0.00 173.10 173.72 2jmr s ILE 94 N -2.95 4.68 -0.36 0.90 1.01 -1.06 -1.43 121.20 121.98 2jmr s ILE 94 Ca 0.63 1.00 0.03 0.00 0.00 0.00 0.00 60.65 62.31 2jmr s ILE 94 Cb -0.17 -3.69 0.11 0.00 0.01 0.00 0.00 42.46 38.71 2jmr s ILE 94 CO 0.56 -0.03 0.09 -1.58 0.00 0.00 0.00 174.94 173.99 2jmr s GLN 95 N -2.59 1.44 -0.05 2.79 0.74 0.49 -1.52 119.66 120.95 2jmr s GLN 95 Ca 0.49 -1.88 -0.25 0.00 0.05 0.00 0.00 55.36 53.77 2jmr s GLN 95 Cb -0.13 -3.03 -0.04 0.00 1.10 0.00 0.00 33.01 30.91 2jmr s GLN 95 CO 0.19 -0.98 0.75 -0.51 -0.55 0.00 0.00 175.29 174.19 2jmr s LEU 96 N 0.81 4.33 0.37 3.68 1.43 -1.26 -0.86 118.68 127.18 2jmr s LEU 96 Ca 0.12 1.28 0.04 0.00 -1.03 0.00 0.00 54.13 54.53 2jmr s LEU 96 Cb -0.20 -3.17 -0.03 0.00 0.03 0.00 0.00 46.19 42.81 2jmr s LEU 96 CO -0.09 -0.14 0.12 -0.76 0.23 0.00 0.00 176.35 175.71 2jmr s LEU 97 N 0.84 1.97 0.51 1.79 2.01 -0.08 -3.93 118.68 121.78 2jmr s LEU 97 Ca 0.40 -1.59 0.08 0.00 0.01 0.00 0.00 54.13 53.04 2jmr s LEU 97 Cb -0.18 -0.11 0.04 0.00 0.01 0.00 0.00 46.19 45.95 2jmr s LEU 97 CO 0.20 -0.85 0.62 0.21 1.01 0.00 0.00 176.35 177.53 2jmr s ASN 98 N -3.54 5.17 0.18 2.29 2.47 -1.26 -1.29 114.94 118.96 2jmr s ASN 98 Ca 0.29 -0.78 -0.14 0.00 0.42 0.00 0.00 52.86 52.64 2jmr s ASN 98 Cb 0.04 -0.06 0.18 0.00 -1.45 0.00 0.00 41.25 39.96 2jmr s ASN 98 CO 0.15 -1.06 1.22 1.21 -3.72 0.00 0.00 177.10 174.90 2jmr n GLU 99 N -1.97 -0.19 0.00 0.43 2.13 -0.65 -0.06 120.64 120.34 2jmr n GLU 99 Ca 0.09 1.20 0.12 0.00 0.66 0.00 0.00 57.16 59.23 2jmr n GLU 99 Cb 0.61 -1.79 0.62 0.00 0.27 0.00 0.00 31.44 31.16 2jmr n GLU 99 CO 0.00 0.00 0.00 1.04 -0.41 0.00 0.00 177.13 177.76 2jmr n GLN 100 N -5.14 0.41 -3.61 5.31 6.02 -1.26 -4.90 117.38 114.21 2jmr n GLN 100 Ca 0.08 0.05 -0.23 0.00 -0.01 0.00 0.00 57.00 56.89 2jmr n GLN 100 Cb 0.31 -1.50 0.04 0.00 1.02 0.00 0.00 30.24 30.11 2jmr n GLN 100 CO 0.00 0.00 0.00 1.04 -1.01 0.00 0.00 177.06 177.09 2jmr n GLN 101 N -1.23 -3.28 -3.85 -1.09 6.02 0.92 -4.99 117.38 109.87 2jmr n GLN 101 Ca 0.12 0.62 -0.36 0.00 -0.01 0.00 0.00 57.00 57.37 2jmr n GLN 101 Cb 0.17 -4.98 -0.11 0.00 1.02 0.00 0.00 30.24 26.34 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 -3.91 5.57 0.21 1.08 3.84 -1.26 -4.93 114.94 115.53 2jmr s ASN 102 Ca 0.23 -0.02 -0.32 0.00 0.21 0.00 0.00 52.86 52.96 2jmr s ASN 102 Cb -0.06 -1.98 -0.14 0.00 -0.55 0.00 0.00 41.25 38.51 2jmr s ASN 102 CO 0.81 0.07 1.32 1.67 -2.79 0.00 0.00 177.10 178.19 2jmr n GLN 103 N 4.24 1.73 -3.95 0.43 7.27 -1.26 -4.03 117.38 121.80 2jmr n GLN 103 Ca -0.16 0.62 -0.32 0.00 0.07 0.00 0.00 57.00 57.21 2jmr n GLN 103 Cb 0.52 -2.22 -0.14 0.00 2.41 0.00 0.00 30.24 30.81 2jmr n GLN 103 CO 0.00 0.00 0.00 0.42 0.07 0.00 0.00 177.06 177.55 2jmr s ILE 104 N -0.09 2.58 1.01 1.69 1.01 -1.25 -5.04 121.20 121.10 2jmr s ILE 104 Ca 0.70 -2.57 -0.12 0.00 0.00 0.00 0.00 60.65 58.66 2jmr s ILE 104 Cb -0.72 -2.84 0.19 0.00 0.01 0.00 0.00 42.46 39.10 2jmr s ILE 104 CO 0.50 -0.68 1.08 -2.16 0.00 0.00 0.00 174.94 173.69 2jmr s PRO 105 N 0.60 0.34 0.19 2.79 0.04 -1.26 -4.88 135.00 132.83 2jmr s PRO 105 Ca 0.12 0.67 0.05 0.00 0.04 0.00 0.00 61.00 61.89 2jmr s PRO 105 Cb -0.21 -1.71 -0.04 0.00 0.04 0.00 0.00 34.50 32.58 2jmr s PRO 105 CO -0.05 -2.83 0.18 -0.51 0.04 0.00 0.00 177.00 173.83 2jmr s LEU 106 N -6.57 3.88 -1.42 -3.56 1.02 -1.26 -4.32 118.68 106.46 2jmr s LEU 106 Ca 0.66 -0.13 0.00 0.00 0.02 0.00 0.00 54.13 54.68 2jmr s LEU 106 Cb -0.20 -2.46 0.00 0.00 0.02 0.00 0.00 46.19 43.55 2jmr s LEU 106 CO 0.59 0.03 0.00 0.59 0.02 0.00 0.00 176.35 177.58 2jmr n ASN 107 N -0.66 -4.64 -4.74 2.29 4.13 -1.24 -4.93 115.26 105.47 2jmr n ASN 107 Ca -0.08 0.33 -0.30 0.00 1.68 0.00 0.00 54.58 56.21 2jmr n ASN 107 Cb 0.56 -3.84 0.13 0.00 -1.54 0.00 0.00 39.78 35.08 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 -2.09 1.70 1.24 5.41 0.00 -1.26 -5.05 121.76 121.71 2jmr s ALA 108 Ca 0.00 -0.16 -0.21 0.00 0.00 0.00 0.00 51.96 51.59 2jmr s ALA 108 Cb 0.00 -3.15 0.31 0.00 0.00 0.00 0.00 23.12 20.28 2jmr s ALA 108 CO 0.00 -2.22 1.12 -1.25 0.00 0.00 0.00 175.76 173.41 2jmr s PRO 109 N -5.02 -1.57 0.09 0.00 0.04 -1.26 -4.97 135.00 122.31 2jmr s PRO 109 Ca 0.63 -0.22 -0.14 0.00 0.04 0.00 0.00 61.00 61.31 2jmr s PRO 109 Cb -0.17 -1.57 -0.13 0.00 0.04 0.00 0.00 34.50 32.67 2jmr s PRO 109 CO 0.56 -3.91 1.34 0.77 0.04 0.00 0.00 177.00 175.79 2jmr h SER 110 N -2.72 0.85 0.00 6.66 0.02 -1.93 -3.36 113.55 113.07 2jmr h SER 110 Ca -0.42 -0.58 -0.02 0.00 -0.84 0.00 0.00 61.79 59.93 2jmr h SER 110 Cb 1.28 -0.25 -0.01 0.00 0.14 0.00 0.00 62.40 63.57 2jmr h SER 110 CO 0.28 1.27 0.04 -1.20 -1.14 0.00 0.00 176.83 176.08 2jmr n SER 111 N -4.09 2.06 0.00 3.07 7.64 -1.26 -2.29 113.62 118.76 2jmr n SER 111 Ca -0.06 -1.63 0.00 0.00 1.01 0.00 0.00 58.87 58.19 2jmr n SER 111 Cb 0.63 -0.46 0.00 0.00 -1.01 0.00 0.00 64.21 63.36 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 2.04 0.38 -2.70 -0.43 0.00 -1.26 -5.12 120.51 113.41 2jmr n ALA 112 Ca 0.04 -0.01 -0.09 0.00 0.00 0.00 0.00 53.44 53.38 2jmr n ALA 112 Cb 0.23 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 19.61 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 -0.33 1.05 0.00 0.00 -0.00 -0.97 -5.04 118.68 113.39 2jmr s LEU 113 Ca 0.00 -0.72 0.01 0.00 -0.00 0.00 0.00 54.13 53.42 2jmr s LEU 113 Cb 0.00 1.23 -0.00 0.00 -0.00 0.00 0.00 46.19 47.41 2jmr s LEU 113 CO 0.00 -0.83 0.05 -1.54 -0.00 0.00 0.00 176.35 174.03 2jmr n SER 114 N -0.16 -0.14 -3.34 1.48 3.41 -1.26 -4.90 113.62 108.70 2jmr n SER 114 Ca -0.11 -1.38 -0.11 0.00 -0.26 0.00 0.00 58.87 57.01 2jmr n SER 114 Cb 0.63 0.32 -0.02 0.00 -0.26 0.00 0.00 64.21 64.88 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 -2.52 0.46 0.49 7.33 -0.11 -1.26 -4.87 118.94 118.45 2jmr s TRP 115 Ca 0.07 -0.90 0.06 0.00 1.22 0.00 0.00 56.10 56.55 2jmr s TRP 115 Cb 0.00 0.38 0.01 0.00 -1.50 0.00 0.00 33.47 32.36 2jmr s TRP 115 CO 0.05 -1.28 0.36 -0.08 -4.62 0.00 0.00 176.95 171.38 2jmr s THR 116 N -3.07 2.00 -0.44 5.86 -1.32 -1.26 -4.97 115.64 112.44 2jmr s THR 116 Ca 0.21 -1.49 -0.27 0.00 -1.21 0.00 0.00 61.69 58.93 2jmr s THR 116 Cb -0.03 -2.49 -0.08 0.00 -1.51 0.00 0.00 72.50 68.39 2jmr s THR 116 CO 0.14 0.00 2.37 0.41 -2.21 0.00 0.00 174.62 175.33 2jmr n THR 117 N -1.62 0.05 -1.56 5.08 -1.04 -1.26 -4.45 114.28 109.48 2jmr n THR 117 Ca -0.00 -0.63 -0.41 0.00 -2.04 0.00 0.00 64.05 60.97 2jmr n THR 117 Cb 0.64 -2.53 -0.04 0.00 -1.82 0.00 0.00 70.33 66.58 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 14.15 2.64 -4.71 -4.42 7.99 -0.22 -4.95 117.00 127.47 2jmr n LEU 118 Ca 0.37 -0.10 -0.42 0.00 -0.01 0.00 0.00 56.01 55.86 2jmr n LEU 118 Cb 0.47 -1.52 0.00 0.00 -0.11 0.00 0.00 43.42 42.26 2jmr n LEU 118 CO 0.71 -1.09 0.94 0.41 -1.51 0.00 0.00 177.39 176.86 2jmr n THR 119 N 7.82 2.20 -2.14 -5.08 -1.04 -1.26 -4.74 114.28 110.04 2jmr n THR 119 Ca 0.35 -0.50 -0.39 0.00 -2.04 0.00 0.00 64.05 61.47 2jmr n THR 119 Cb 0.46 -1.65 -0.01 0.00 -1.82 0.00 0.00 70.33 67.31 2jmr n THR 119 CO 0.00 0.00 0.00 -2.16 -0.64 0.00 0.00 175.07 172.27 2jmr s PRO 120 N -2.04 3.99 -1.65 -2.82 0.04 -1.26 -4.04 135.00 127.22 2jmr s PRO 120 Ca 0.57 2.03 0.00 0.00 0.04 0.00 0.00 61.00 63.64 2jmr s PRO 120 Cb -0.53 -2.73 0.00 0.00 0.04 0.00 0.00 34.50 31.29 2jmr s PRO 120 CO 0.61 -0.43 0.00 0.41 0.04 0.00 0.00 177.00 177.63 2jmr n GLY 121 N 0.67 0.57 3.23 0.56 0.00 -1.19 -4.84 105.19 104.19 2jmr n GLY 121 Ca 0.04 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.92 2jmr n GLY 121 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2jmr s LYS 122 N -4.25 1.02 -0.76 1.61 2.36 -1.26 -3.35 119.74 115.11 2jmr s LYS 122 Ca 0.00 -1.44 -0.26 0.00 -2.55 0.00 0.00 55.97 51.73 2jmr s LYS 122 Cb 0.00 -0.52 -0.03 0.00 -1.05 0.00 0.00 37.83 36.24 2jmr s LYS 122 CO 0.00 0.04 1.86 -1.25 1.55 0.00 0.00 175.35 177.55 2jmr s PRO 123 N -3.78 2.66 0.63 4.03 0.04 -1.26 -4.41 135.00 132.90 2jmr s PRO 123 Ca 0.16 0.12 -0.15 0.00 0.04 0.00 0.00 61.00 61.17 2jmr s PRO 123 Cb 0.03 -4.71 -0.02 0.00 0.04 0.00 0.00 34.50 29.85 2jmr s PRO 123 CO -0.00 -2.97 1.08 -0.80 0.04 0.00 0.00 177.00 174.36 2jmr s ASN 124 N 7.77 5.44 -0.05 6.66 0.01 -0.60 -4.87 114.94 129.30 2jmr s ASN 124 Ca 0.66 1.91 -0.29 0.00 -0.71 0.00 0.00 52.86 54.43 2jmr s ASN 124 Cb -0.09 -2.54 0.07 0.00 0.41 0.00 0.00 41.25 39.09 2jmr s ASN 124 CO 0.10 -1.40 0.64 -0.89 -1.51 0.00 0.00 177.10 174.04 2jmr s THR 125 N -2.40 0.01 -0.24 1.60 2.01 -1.26 -0.94 115.64 114.42 2jmr s THR 125 Ca 0.65 -0.05 -0.04 0.00 0.31 0.00 0.00 61.69 62.56 2jmr s THR 125 Cb -0.18 -0.96 0.08 0.00 0.01 0.00 0.00 72.50 71.45 2jmr s THR 125 CO 0.39 -0.03 0.12 -0.22 -0.69 0.00 0.00 174.62 174.19 2jmr s LEU 126 N -1.14 0.43 -0.24 4.42 1.98 -1.23 -5.03 118.68 117.87 2jmr s LEU 126 Ca -0.11 -0.96 -0.29 0.00 -2.89 0.00 0.00 54.13 49.89 2jmr s LEU 126 Cb -0.01 -0.27 -0.03 0.00 0.66 0.00 0.00 46.19 46.54 2jmr s LEU 126 CO 0.09 -0.40 1.85 0.20 -1.89 0.00 0.00 176.35 176.20 2jmr s ASN 127 N 2.13 6.00 0.44 3.68 0.01 -1.26 -3.92 114.94 122.02 2jmr s ASN 127 Ca 0.06 1.66 0.03 0.00 -0.71 0.00 0.00 52.86 53.90 2jmr s ASN 127 Cb -0.16 -2.52 -0.03 0.00 0.41 0.00 0.00 41.25 38.94 2jmr s ASN 127 CO -0.24 -1.56 0.05 -0.36 -1.51 0.00 0.00 177.10 173.48 2jmr s PHE 128 N 6.45 1.93 0.13 2.20 0.08 0.07 -1.63 117.98 127.21 2jmr s PHE 128 Ca 0.83 -1.03 -0.00 0.00 0.12 0.00 0.00 56.93 56.84 2jmr s PHE 128 Cb -0.27 -1.44 -0.04 0.00 -0.57 0.00 0.00 43.02 40.70 2jmr s PHE 128 CO 0.33 0.05 0.03 0.71 -0.10 0.00 0.00 175.22 176.24 2jmr s TYR 129 N -3.02 0.91 -0.01 0.36 2.02 -0.41 -0.72 117.35 116.47 2jmr s TYR 129 Ca 0.19 -1.15 -0.07 0.00 -0.37 0.00 0.00 57.07 55.67 2jmr s TYR 129 Cb 0.04 -0.52 0.00 0.00 -0.40 0.00 0.00 41.96 41.08 2jmr s TYR 129 CO 0.10 -0.41 0.13 0.00 -1.57 0.00 0.00 175.55 173.80 2jmr s ALA 130 N -3.92 -0.31 0.00 3.71 0.00 -0.43 -0.91 121.76 119.90 2jmr s ALA 130 Ca 0.22 -0.07 0.00 0.00 0.00 0.00 0.00 51.96 52.11 2jmr s ALA 130 Cb 0.07 0.05 0.00 0.00 0.00 0.00 0.00 23.12 23.25 2jmr s ALA 130 CO 0.01 -0.18 0.00 -2.13 0.00 0.00 0.00 175.76 173.45 2jmr n ARG 131 N 1.70 0.00 -2.51 0.00 3.00 -0.03 -0.71 116.66 118.10 2jmr n ARG 131 Ca -0.21 0.00 -0.23 0.00 -0.00 0.00 0.00 57.85 57.41 2jmr n ARG 131 Cb 0.56 0.00 0.06 0.00 0.00 0.00 0.00 32.46 33.09 2jmr n ARG 131 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.63 177.12 2jmr s LEU 132 N 0.00 3.08 -0.04 6.15 1.43 -1.26 -0.38 118.68 127.66 2jmr s LEU 132 Ca 0.00 0.01 -0.01 0.00 -1.03 0.00 0.00 54.13 53.09 2jmr s LEU 132 Cb 0.00 -2.68 0.03 0.00 0.03 0.00 0.00 46.19 43.57 2jmr s LEU 132 CO 0.00 -1.46 0.08 -0.32 0.23 0.00 0.00 176.35 174.88 2jmr s MET 133 N -4.99 0.02 -0.12 1.70 -2.45 -0.52 -4.35 119.30 108.60 2jmr s MET 133 Ca 0.61 0.27 -0.29 0.00 -1.25 0.00 0.00 55.69 55.03 2jmr s MET 133 Cb -0.09 -0.22 -0.06 0.00 1.25 0.00 0.00 34.83 35.71 2jmr s MET 133 CO 0.42 -0.17 2.06 0.00 1.05 0.00 0.00 175.02 178.38 2jmr s ALA 134 N 1.11 3.12 -0.24 4.11 0.00 -1.25 -2.98 121.76 125.63 2jmr s ALA 134 Ca -0.09 0.97 0.21 0.00 0.00 0.00 0.00 51.96 53.05 2jmr s ALA 134 Cb -0.12 -3.96 0.03 0.00 0.00 0.00 0.00 23.12 19.06 2jmr s ALA 134 CO -0.04 -2.23 1.10 1.79 0.00 0.00 0.00 175.76 176.38 2jmr h THR 135 N 6.44 0.11 -3.08 0.00 1.35 -1.34 -3.38 112.91 113.01 2jmr h THR 135 Ca -0.44 -1.21 -0.13 0.00 -0.55 0.00 0.00 66.41 64.08 2jmr h THR 135 Cb 1.23 1.69 -0.03 0.00 -1.73 0.00 0.00 68.15 69.31 2jmr h THR 135 CO 0.96 0.07 -0.01 0.00 -0.25 0.00 0.00 175.52 176.28 2jmr n GLN 136 N -2.79 0.54 -2.62 4.72 1.13 -0.99 -4.88 117.38 112.48 2jmr n GLN 136 Ca -0.01 -1.67 -0.28 0.00 -1.94 0.00 0.00 57.00 53.10 2jmr n GLN 136 Cb 0.60 1.74 -0.01 0.00 0.11 0.00 0.00 30.24 32.68 2jmr n GLN 136 CO 0.00 0.00 0.00 1.33 -1.44 0.00 0.00 177.06 176.95 2jmr n VAL 137 N -0.36 2.80 0.59 5.09 0.24 -1.26 -4.66 118.33 120.76 2jmr n VAL 137 Ca -0.01 -5.17 0.13 0.00 -2.04 0.00 0.00 64.34 57.25 2jmr n VAL 137 Cb 0.38 -1.32 0.37 0.00 -1.47 0.00 0.00 33.84 31.80 2jmr n VAL 137 CO 0.00 0.00 0.00 1.55 -2.14 0.00 0.00 176.83 176.24 2jmr h PRO 138 N 2.79 0.00 -6.78 7.34 0.13 -1.83 -3.47 132.00 130.18 2jmr h PRO 138 Ca 0.26 0.00 -0.50 0.00 -0.87 0.00 0.00 66.00 64.89 2jmr h PRO 138 Cb 0.71 0.00 -0.13 0.00 0.13 0.00 0.00 31.00 31.71 2jmr h PRO 138 CO 0.88 0.00 -0.79 1.33 -0.23 0.00 0.00 178.00 179.19 2jmr n VAL 139 N -2.34 -1.11 -3.75 1.56 0.24 -1.26 -4.94 118.33 106.73 2jmr n VAL 139 Ca 0.05 -0.42 -0.37 0.00 -2.04 0.00 0.00 64.34 61.57 2jmr n VAL 139 Cb 0.44 -1.04 -0.13 0.00 -1.47 0.00 0.00 33.84 31.65 2jmr n VAL 139 CO 0.00 0.00 0.00 -0.89 -2.14 0.00 0.00 176.83 173.80 2jmr s THR 140 N -4.05 4.30 1.15 3.34 2.01 -1.26 -4.92 115.64 116.21 2jmr s THR 140 Ca 0.10 -0.20 -0.14 0.00 0.31 0.00 0.00 61.69 61.76 2jmr s THR 140 Cb -0.05 -3.03 0.27 0.00 0.01 0.00 0.00 72.50 69.70 2jmr s THR 140 CO 0.80 0.32 1.04 0.00 -0.69 0.00 0.00 174.62 176.09 2jmr s ALA 141 N 1.61 -0.19 0.00 7.40 0.00 -1.26 -3.61 121.76 125.71 2jmr s ALA 141 Ca 0.06 -0.29 0.00 0.00 0.00 0.00 0.00 51.96 51.73 2jmr s ALA 141 Cb -0.15 -3.17 0.00 0.00 0.00 0.00 0.00 23.12 19.80 2jmr s ALA 141 CO 0.04 -3.69 0.00 0.41 0.00 0.00 0.00 175.76 172.52 2jmr n GLY 142 N 0.28 3.50 3.69 0.00 0.00 -1.06 -4.17 105.19 107.43 2jmr n GLY 142 Ca 0.04 -1.04 -0.30 0.00 0.00 0.00 0.00 46.02 44.72 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 2.03 -0.04 1.61 -3.43 -1.11 -0.48 115.29 111.86 2jmr s HIS 143 Ca 0.00 1.52 0.01 0.00 -0.80 0.00 0.00 55.06 55.79 2jmr s HIS 143 Cb 0.00 -3.18 -0.03 0.00 -1.43 0.00 0.00 32.58 27.93 2jmr s HIS 143 CO 0.00 -2.55 -0.05 0.42 -2.00 0.00 0.00 174.74 170.57 2jmr s ILE 144 N -2.77 3.86 -0.23 -5.38 -1.09 0.46 -2.98 121.20 113.07 2jmr s ILE 144 Ca 0.65 -0.54 -0.27 0.00 -2.23 0.00 0.00 60.65 58.26 2jmr s ILE 144 Cb -0.20 -2.64 0.11 0.00 -1.58 0.00 0.00 42.46 38.15 2jmr s ILE 144 CO 0.58 0.51 0.91 0.20 -1.23 0.00 0.00 174.94 175.91 2jmr s ASN 145 N -1.11 -0.53 0.39 3.58 0.01 -1.25 -1.71 114.94 114.33 2jmr s ASN 145 Ca 0.15 0.90 -0.11 0.00 -0.71 0.00 0.00 52.86 53.09 2jmr s ASN 145 Cb -0.11 0.87 0.04 0.00 0.41 0.00 0.00 41.25 42.46 2jmr s ASN 145 CO 0.05 -0.26 0.72 0.00 -1.51 0.00 0.00 177.10 176.09 2jmr s ALA 146 N -0.14 -0.27 -0.19 0.60 0.00 -1.18 -1.28 121.76 119.30 2jmr s ALA 146 Ca -0.00 -1.01 -0.09 0.00 0.00 0.00 0.00 51.96 50.86 2jmr s ALA 146 Cb -0.04 0.79 0.07 0.00 0.00 0.00 0.00 23.12 23.94 2jmr s ALA 146 CO -0.01 -0.93 0.43 -0.08 0.00 0.00 0.00 175.76 175.17 2jmr s THR 147 N -2.33 -0.25 0.24 0.00 -1.32 -1.26 -4.24 115.64 106.49 2jmr s THR 147 Ca 0.20 0.11 -0.08 0.00 -1.21 0.00 0.00 61.69 60.71 2jmr s THR 147 Cb -0.04 -0.66 0.03 0.00 -1.51 0.00 0.00 72.50 70.33 2jmr s THR 147 CO 0.15 0.05 0.46 0.00 -2.21 0.00 0.00 174.62 173.06 2jmr n ALA 148 N 4.67 -0.95 -2.20 11.08 0.00 -1.21 -4.49 120.51 127.41 2jmr n ALA 148 Ca -0.18 -0.82 -0.08 0.00 0.00 0.00 0.00 53.44 52.36 2jmr n ALA 148 Cb 0.53 0.66 -0.10 0.00 0.00 0.00 0.00 19.45 20.54 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 -2.48 0.27 0.65 0.00 -4.23 -0.47 -0.85 115.64 108.52 2jmr s THR 149 Ca 0.11 -1.72 -0.06 0.00 -1.18 0.00 0.00 61.69 58.85 2jmr s THR 149 Cb -0.03 -1.40 0.04 0.00 1.34 0.00 0.00 72.50 72.46 2jmr s THR 149 CO 0.08 -0.93 0.95 0.72 -0.54 0.00 0.00 174.62 174.91 2jmr s PHE 150 N -3.60 3.03 -0.04 3.99 -0.71 -1.25 -1.05 117.98 118.34 2jmr s PHE 150 Ca 0.05 0.47 -0.12 0.00 -1.04 0.00 0.00 56.93 56.29 2jmr s PHE 150 Cb 0.06 -2.99 0.02 0.00 -1.21 0.00 0.00 43.02 38.89 2jmr s PHE 150 CO -0.08 -1.15 0.28 0.95 -1.34 0.00 0.00 175.22 173.87 2jmr s THR 151 N -3.11 0.04 -0.30 -4.49 -4.23 0.24 -4.50 115.64 99.29 2jmr s THR 151 Ca 0.58 -0.35 0.03 0.00 -1.18 0.00 0.00 61.69 60.77 2jmr s THR 151 Cb -0.11 -0.52 0.08 0.00 1.34 0.00 0.00 72.50 73.29 2jmr s THR 151 CO 0.44 -0.19 -0.03 -0.76 -0.54 0.00 0.00 174.62 173.54 2jmr s LEU 152 N -0.84 4.09 -1.02 4.79 2.01 -1.26 -1.14 118.68 125.31 2jmr s LEU 152 Ca -0.09 -1.78 -0.22 0.00 0.01 0.00 0.00 54.13 52.04 2jmr s LEU 152 Cb -0.05 -1.58 0.06 0.00 0.01 0.00 0.00 46.19 44.64 2jmr s LEU 152 CO 0.03 -0.29 1.43 -0.70 1.01 0.00 0.00 176.35 177.82 2jmr s GLU 153 N 1.01 3.61 0.26 1.70 2.56 -0.02 -4.86 118.70 122.95 2jmr s GLU 153 Ca 0.01 -1.22 -0.30 0.00 0.00 0.00 0.00 54.97 53.47 2jmr s GLU 153 Cb -0.19 -5.32 -0.11 0.00 2.00 0.00 0.00 34.13 30.51 2jmr s GLU 153 CO -0.07 -2.17 1.52 0.71 -0.56 0.00 0.00 175.26 174.69 2jmr s TYR 154 N 4.72 2.91 -1.36 5.30 2.02 -1.26 -1.44 117.35 128.22 2jmr s TYR 154 Ca 0.45 0.89 -0.08 0.00 -0.37 0.00 0.00 57.07 57.96 2jmr s TYR 154 Cb -0.00 -3.93 0.01 0.00 -0.40 0.00 0.00 41.96 37.63 2jmr s TYR 154 CO -0.09 -3.12 1.12 1.04 -1.57 0.00 0.00 175.55 172.93 2jmr n GLN 155 N 2.38 -7.61 -0.44 -0.62 6.02 -0.81 -4.89 117.38 111.40 2jmr n GLN 155 Ca 0.08 0.83 0.38 0.00 -0.01 0.00 0.00 57.00 58.28 2jmr n GLN 155 Cb 0.39 -5.84 0.66 0.00 1.02 0.00 0.00 30.24 26.47 2jmr n GLN 155 CO 0.00 0.00 0.00 0.22 -1.01 0.00 0.00 177.06 176.27 2jmr h ASP 156 N -2.56 0.23 0.35 1.08 3.58 -1.73 -1.00 116.42 116.36 2jmr h ASP 156 Ca -0.56 0.18 0.00 0.00 0.42 0.00 0.00 57.03 57.07 2jmr h ASP 156 Cb 1.37 0.18 0.00 0.00 1.72 0.00 0.00 39.33 42.59 2jmr h ASP 156 CO 0.55 -0.29 0.00 -0.46 -2.88 0.00 0.00 179.24 176.17 2jmr n ASN 157 N -4.83 0.00 -4.32 2.28 0.23 -1.26 -4.72 115.26 102.64 2jmr n ASN 157 Ca 0.40 0.34 -0.29 0.00 -0.53 0.00 0.00 54.58 54.50 2jmr n ASN 157 Cb 1.50 -0.42 -0.06 0.00 -2.08 0.00 0.00 39.78 38.73 2jmr n ASN 157 CO 0.00 0.00 0.00 1.41 -0.93 0.00 0.00 177.26 177.74 2jmr n HIS 158 N -1.42 0.90 -1.89 -2.53 8.25 -0.38 -5.10 115.22 113.05 2jmr n HIS 158 Ca 0.04 -2.33 -0.41 0.00 -0.26 0.00 0.00 57.72 54.75 2jmr n HIS 158 Cb 0.13 -0.25 -0.02 0.00 1.12 0.00 0.00 29.99 30.97 2jmr n HIS 158 CO 0.00 0.00 0.00 -1.01 0.64 0.00 0.00 176.34 175.97 2jmr s HIS 159 N -2.75 2.88 1.02 4.41 3.76 -1.26 -4.96 115.29 118.39 2jmr s HIS 159 Ca 0.04 0.89 -0.13 0.00 -0.15 0.00 0.00 55.06 55.71 2jmr s HIS 159 Cb 0.00 -3.95 0.14 0.00 1.11 0.00 0.00 32.58 29.88 2jmr s HIS 159 CO 0.03 -3.17 0.75 -2.39 -0.85 0.00 0.00 174.74 169.10 2jmr n HIS 160 N 2.26 -0.59 0.00 1.40 1.44 -1.26 -4.99 115.22 113.47 2jmr n HIS 160 Ca 0.08 0.19 0.00 0.00 -2.01 0.00 0.00 57.72 55.97 2jmr n HIS 160 Cb 0.39 -1.81 0.00 0.00 0.12 0.00 0.00 29.99 28.69 2jmr n HIS 160 CO 0.00 0.00 0.00 1.58 -2.81 0.00 0.00 176.34 175.11 2jmr n HIS 161 N -4.27 0.00 -2.52 -1.40 -0.00 -1.26 -5.13 115.22 100.64 2jmr n HIS 161 Ca 0.07 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.79 2jmr n HIS 161 Cb 0.54 0.00 0.00 0.00 -0.00 0.00 0.00 29.99 30.53 2jmr n HIS 161 CO 0.00 0.00 0.00 1.58 -0.00 0.00 0.00 176.34 177.92 2jmr n HIS 162 N -0.75 0.00 0.00 1.57 -0.00 -1.26 -5.15 115.22 109.63 2jmr n HIS 162 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.72 2jmr n HIS 162 Cb 0.04 0.00 0.00 0.00 -0.00 0.00 0.00 29.99 30.03 2jmr n HIS 162 CO 0.00 0.00 0.00 0.72 -0.00 0.00 0.00 176.34 177.06 2jmr n HIS 163 N 0.00 -1.22 -2.31 1.57 8.25 -1.26 -5.03 115.22 115.22 2jmr n HIS 163 Ca 0.00 0.00 -0.41 0.00 -0.26 0.00 0.00 57.72 57.05 2jmr n HIS 163 Cb 0.00 0.32 -0.03 0.00 1.12 0.00 0.00 29.99 31.40 2jmr n HIS 163 CO 0.00 0.00 0.00 0.21 0.64 0.00 0.00 176.34 177.19 2jmr s LYS 164 N -0.64 3.26 0.02 -0.41 2.20 -1.26 -4.85 119.74 118.06 2jmr s LYS 164 Ca 0.00 0.61 -0.26 0.00 -0.36 0.00 0.00 55.97 55.96 2jmr s LYS 164 Cb 0.00 -4.15 -0.17 0.00 -1.51 0.00 0.00 37.83 32.00 2jmr s LYS 164 CO 0.00 -1.98 1.36 -0.56 -0.36 0.00 0.00 175.35 173.80 2jmr h GLN 165 N 11.63 -0.37 0.00 4.03 3.07 -1.95 -3.49 115.11 128.02 2jmr h GLN 165 Ca -0.27 0.03 0.00 0.00 0.09 0.00 0.00 58.65 58.49 2jmr h GLN 165 Cb 1.11 0.08 0.00 0.00 0.08 0.00 0.00 27.48 28.75 2jmr h GLN 165 CO 1.16 -0.08 0.00 0.00 0.09 0.00 0.00 178.83 180.00 2jmr n ALA 166 N -2.41 0.00 -3.53 0.06 0.00 -1.26 -5.10 120.51 108.27 2jmr n ALA 166 Ca -0.10 0.00 -0.27 0.00 0.00 0.00 0.00 53.44 53.08 2jmr n ALA 166 Cb 0.24 0.00 -0.10 0.00 0.00 0.00 0.00 19.45 19.59 2jmr n ALA 166 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 2jmr n ASP 167 N -0.70 1.17 -4.56 0.00 5.68 -1.26 -5.02 116.55 111.86 2jmr n ASP 167 Ca 0.00 -2.80 -0.42 0.00 -0.50 0.00 0.00 54.79 51.07 2jmr n ASP 167 Cb 0.00 -0.64 -0.02 0.00 -1.14 0.00 0.00 41.12 39.32 2jmr n ASP 167 CO 0.00 0.00 0.00 -0.94 -1.33 0.00 0.00 177.20 174.93 2jmr s SER 168 N -0.87 6.64 -0.60 -1.12 1.04 -1.26 -4.83 113.70 112.69 2jmr s SER 168 Ca 0.31 -1.87 -0.27 0.00 0.48 0.00 0.00 55.95 54.60 2jmr s SER 168 Cb 0.04 -2.56 -0.01 0.00 0.10 0.00 0.00 66.02 63.60 2jmr s SER 168 CO -0.16 -1.34 1.72 -0.89 0.98 0.00 0.00 173.24 173.55 2jmr s THR 169 N 4.49 3.47 -0.14 2.02 2.01 -0.59 -3.81 115.64 123.08 2jmr s THR 169 Ca 0.48 0.31 -0.29 0.00 0.31 0.00 0.00 61.69 62.49 2jmr s THR 169 Cb 0.01 -4.12 -0.01 0.00 0.01 0.00 0.00 72.50 68.39 2jmr s THR 169 CO -0.03 -1.04 1.02 -0.63 -0.69 0.00 0.00 174.62 173.25 2jmr s ILE 170 N 8.09 4.73 -0.37 1.82 -1.09 -0.03 -4.26 121.20 130.09 2jmr s ILE 170 Ca 0.62 2.02 0.01 0.00 -2.23 0.00 0.00 60.65 61.07 2jmr s ILE 170 Cb -0.12 -4.30 0.12 0.00 -1.58 0.00 0.00 42.46 36.57 2jmr s ILE 170 CO 0.21 -0.05 0.16 -0.89 -1.23 0.00 0.00 174.94 173.14 2jmr s THR 171 N 2.38 1.16 -0.24 2.92 2.01 -1.26 -3.29 115.64 119.32 2jmr s THR 171 Ca 0.47 -1.98 -0.22 0.00 0.31 0.00 0.00 61.69 60.27 2jmr s THR 171 Cb -0.18 -1.85 -0.01 0.00 0.01 0.00 0.00 72.50 70.48 2jmr s THR 171 CO 0.15 -0.78 0.71 -0.63 -0.69 0.00 0.00 174.62 173.38 2jmr s ILE 172 N 0.99 4.93 0.29 1.82 1.01 -1.26 -1.62 121.20 127.36 2jmr s ILE 172 Ca 0.14 1.32 0.06 0.00 0.00 0.00 0.00 60.65 62.17 2jmr s ILE 172 Cb -0.21 -4.01 -0.02 0.00 0.01 0.00 0.00 42.46 38.23 2jmr s ILE 172 CO -0.12 -0.01 0.40 -0.13 0.00 0.00 0.00 174.94 175.08 2jmr s ARG 173 N 2.60 3.23 0.00 2.79 1.81 -0.40 -3.08 118.95 125.90 2jmr s ARG 173 Ca 0.30 -0.91 0.00 0.00 -1.72 0.00 0.00 55.73 53.40 2jmr s ARG 173 Cb -0.15 -2.82 0.00 0.00 -0.45 0.00 0.00 34.95 31.52 2jmr s ARG 173 CO 0.08 0.25 0.00 0.41 -0.68 0.00 0.00 175.30 175.36 2jmr n GLY 174 N -1.50 -1.25 3.29 -3.53 0.00 -0.69 -1.49 105.19 100.01 2jmr n GLY 174 Ca -0.05 -0.91 -0.14 0.00 0.00 0.00 0.00 46.02 44.93 2jmr n GLY 174 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 2jmr s TYR 175 N -3.00 -0.26 -0.20 1.61 5.04 -1.26 -0.41 117.35 118.88 2jmr s TYR 175 Ca 0.00 0.41 0.01 0.00 -2.44 0.00 0.00 57.07 55.06 2jmr s TYR 175 Cb 0.00 0.15 0.03 0.00 0.35 0.00 0.00 41.96 42.50 2jmr s TYR 175 CO 0.00 -0.43 -0.15 0.08 -1.34 0.00 0.00 175.55 173.71 2jmr s VAL 176 N -1.32 1.89 0.49 3.14 1.01 0.36 -1.30 120.40 124.66 2jmr s VAL 176 Ca -0.13 -1.04 -0.19 0.00 0.00 0.00 0.00 61.98 60.62 2jmr s VAL 176 Cb -0.04 -1.84 -0.09 0.00 0.00 0.00 0.00 36.38 34.41 2jmr s VAL 176 CO 0.05 0.32 0.99 -0.13 0.00 0.00 0.00 175.10 176.33 2jmr s ARG 177 N 1.31 3.95 0.21 2.72 1.81 -1.26 -2.56 118.95 125.14 2jmr s ARG 177 Ca 0.01 1.13 -0.09 0.00 -1.72 0.00 0.00 55.73 55.06 2jmr s ARG 177 Cb -0.15 -2.13 0.16 0.00 -0.45 0.00 0.00 34.95 32.38 2jmr s ARG 177 CO -0.10 -0.28 1.81 0.38 -0.68 0.00 0.00 175.30 176.44 2jmr h ASP 178 N 1.36 1.03 0.00 0.23 2.03 -1.94 0.39 116.42 119.51 2jmr h ASP 178 Ca -0.48 -0.13 0.00 0.00 -0.73 0.00 0.00 57.03 55.69 2jmr h ASP 178 Cb 1.19 -0.26 0.00 0.00 -0.83 0.00 0.00 39.33 39.43 2jmr h ASP 178 CO 0.60 0.87 0.00 -3.20 -1.03 0.00 0.00 179.24 176.48