#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 0.71 0.00 -5.12 0.00 -1.26 -5.01 121.76 111.09 2jmr s ALA 2 Ca 0.00 -0.58 0.00 0.00 0.00 0.00 0.00 51.96 51.38 2jmr s ALA 2 Cb 0.00 -0.09 0.00 0.00 0.00 0.00 0.00 23.12 23.03 2jmr s ALA 2 CO 0.00 0.10 0.00 -3.47 0.00 0.00 0.00 175.76 172.39 2jmr n ASP 3 N 2.16 0.00 0.00 0.00 2.03 -1.26 -4.99 116.55 114.50 2jmr n ASP 3 Ca -0.18 -0.79 0.00 0.00 0.52 0.00 0.00 54.79 54.34 2jmr n ASP 3 Cb 0.56 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.96 2jmr n ASP 3 CO 0.00 0.00 0.00 -1.20 -1.92 0.00 0.00 177.20 174.08 2jmr n SER 4 N 0.00 0.00 -4.76 1.67 7.64 -1.26 -4.94 113.62 111.97 2jmr n SER 4 Ca 0.00 0.00 -0.38 0.00 1.01 0.00 0.00 58.87 59.50 2jmr n SER 4 Cb 0.38 0.00 0.02 0.00 -1.01 0.00 0.00 64.21 63.61 2jmr n SER 4 CO 0.00 0.00 0.00 -0.89 -3.01 0.00 0.00 175.04 171.14 2jmr s THR 5 N 0.00 2.39 0.01 0.44 2.01 -1.26 -4.66 115.64 114.57 2jmr s THR 5 Ca 0.00 0.30 0.00 0.00 0.31 0.00 0.00 61.69 62.30 2jmr s THR 5 Cb 0.00 -3.15 0.00 0.00 0.01 0.00 0.00 72.50 69.36 2jmr s THR 5 CO 0.00 0.00 0.00 0.00 -0.69 0.00 0.00 174.62 173.93 2jmr n ILE 6 N -0.79 0.00 -0.04 1.82 0.13 -1.26 -4.91 119.36 114.30 2jmr n ILE 6 Ca 0.09 0.00 -0.09 0.00 -1.10 0.00 0.00 62.75 61.65 2jmr n ILE 6 Cb 0.46 -0.01 -0.08 0.00 -0.84 0.00 0.00 39.64 39.17 2jmr n ILE 6 CO 0.00 0.00 0.00 0.74 2.80 0.00 0.00 176.55 180.09 2jmr h THR 7 N 0.00 1.07 -3.87 9.51 2.02 -1.84 -3.49 112.91 116.30 2jmr h THR 7 Ca 0.00 -1.69 -0.19 0.00 0.77 0.00 0.00 66.41 65.30 2jmr h THR 7 Cb 0.00 1.98 -0.24 0.00 -1.74 0.00 0.00 68.15 68.15 2jmr h THR 7 CO 0.00 0.35 -0.70 -0.63 0.37 0.00 0.00 175.52 174.90 2jmr s ILE 8 N -2.29 0.07 0.02 3.11 1.01 -1.26 -5.09 121.20 116.76 2jmr s ILE 8 Ca -0.12 -0.55 -0.25 0.00 0.00 0.00 0.00 60.65 59.74 2jmr s ILE 8 Cb -0.01 -0.17 -0.14 0.00 0.01 0.00 0.00 42.46 42.15 2jmr s ILE 8 CO 0.44 -0.30 1.10 -0.09 0.00 0.00 0.00 174.94 176.09 2jmr h ARG 9 N 5.23 -0.85 0.00 2.79 9.65 -1.95 -3.39 114.38 125.86 2jmr h ARG 9 Ca -0.29 0.06 -0.10 0.00 -1.10 0.00 0.00 59.98 58.55 2jmr h ARG 9 Cb 1.21 0.19 -0.13 0.00 -1.39 0.00 0.00 29.97 29.86 2jmr h ARG 9 CO 0.45 -0.57 -0.08 0.41 2.80 0.00 0.00 179.97 182.98 2jmr n GLY 10 N -0.69 -1.44 0.00 2.80 0.00 -1.26 -4.64 105.19 99.97 2jmr n GLY 10 Ca -0.11 0.85 0.00 0.00 0.00 0.00 0.00 46.02 46.76 2jmr n GLY 10 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 173.32 174.90 2jmr n TYR 11 N 1.31 0.00 0.00 1.61 0.18 -1.26 -4.73 117.16 114.27 2jmr n TYR 11 Ca 0.01 0.00 0.00 0.00 1.88 0.00 0.00 57.90 59.79 2jmr n TYR 11 Cb 0.71 -0.44 0.00 0.00 -0.38 0.00 0.00 39.34 39.23 2jmr n TYR 11 CO 0.00 0.00 0.00 1.33 -2.08 0.00 0.00 176.86 176.11 2jmr n VAL 12 N -2.27 0.00 -3.70 -3.48 0.24 -1.26 -5.15 118.33 102.71 2jmr n VAL 12 Ca 0.00 0.00 -0.08 0.00 -2.04 0.00 0.00 64.34 62.22 2jmr n VAL 12 Cb 0.00 -0.74 0.01 0.00 -1.47 0.00 0.00 33.84 31.64 2jmr n VAL 12 CO 0.00 0.00 0.00 0.54 -2.14 0.00 0.00 176.83 175.23 2jmr n ARG 13 N -1.22 0.83 -0.51 7.34 5.12 -1.26 -5.07 116.66 121.88 2jmr n ARG 13 Ca 0.00 -1.87 0.07 0.00 -1.93 0.00 0.00 57.85 54.11 2jmr n ARG 13 Cb 0.00 2.20 0.18 0.00 -1.16 0.00 0.00 32.46 33.68 2jmr n ARG 13 CO 0.00 0.00 0.00 -0.40 -1.93 0.00 0.00 177.63 175.30 2jmr n ASP 14 N -1.49 1.80 0.00 0.55 5.75 -1.26 -4.55 116.55 117.36 2jmr n ASP 14 Ca -0.05 -3.59 0.00 0.00 -0.01 0.00 0.00 54.79 51.14 2jmr n ASP 14 Cb 0.47 -0.49 0.00 0.00 -1.03 0.00 0.00 41.12 40.07 2jmr n ASP 14 CO 0.00 0.00 0.00 -0.46 -0.11 0.00 0.00 177.20 176.63 2jmr n ASN 15 N -1.10 0.27 -4.12 -1.12 2.04 -1.26 -1.10 115.26 108.87 2jmr n ASN 15 Ca 0.17 -0.61 -0.10 0.00 -0.44 0.00 0.00 54.58 53.60 2jmr n ASN 15 Cb 0.70 0.58 -0.09 0.00 -2.53 0.00 0.00 39.78 38.44 2jmr n ASN 15 CO 0.00 0.00 0.00 -0.83 -0.44 0.00 0.00 177.26 175.99 2jmr s GLY 16 N -0.58 1.00 -0.52 4.83 0.00 -1.26 -4.84 107.32 105.94 2jmr s GLY 16 Ca 0.00 -1.40 0.04 0.00 0.00 0.00 0.00 44.72 43.37 2jmr s GLY 16 CO 0.00 -1.23 0.39 0.00 0.00 0.00 0.00 173.10 172.26 2jmr n SER 18 N 2.57 3.10 -4.71 0.00 7.64 -0.43 -4.82 113.62 116.98 2jmr n SER 18 Ca 0.25 1.10 -0.43 0.00 1.01 0.00 0.00 58.87 60.79 2jmr n SER 18 Cb 0.42 -1.44 -0.03 0.00 -1.01 0.00 0.00 64.21 62.15 2jmr n SER 18 CO 0.00 0.00 0.00 0.55 -3.01 0.00 0.00 175.04 172.58 2jmr n VAL 19 N 3.00 0.34 -1.24 0.44 3.14 -1.26 -1.48 118.33 121.26 2jmr n VAL 19 Ca 0.15 -0.08 -0.33 0.00 -2.96 0.00 0.00 64.34 61.12 2jmr n VAL 19 Cb 0.30 -1.80 0.11 0.00 -1.06 0.00 0.00 33.84 31.39 2jmr n VAL 19 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 2jmr s ALA 20 N 0.70 1.98 0.53 1.55 0.00 -0.06 -4.73 121.76 121.73 2jmr s ALA 20 Ca 0.73 0.73 0.26 0.00 0.00 0.00 0.00 51.96 53.68 2jmr s ALA 20 Cb -0.57 -3.44 1.40 0.00 0.00 0.00 0.00 23.12 20.51 2jmr s ALA 20 CO 0.39 -2.07 1.98 0.00 0.00 0.00 0.00 175.76 176.06 2jmr h ALA 21 N -0.77 2.54 0.00 0.00 0.00 -1.90 -0.39 119.26 118.74 2jmr h ALA 21 Ca -0.46 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 54.43 2jmr h ALA 21 Cb 1.28 0.04 -0.00 0.00 0.00 0.00 0.00 17.79 19.11 2jmr h ALA 21 CO 0.48 -0.71 -0.02 0.93 0.00 0.00 0.00 179.25 179.93 2jmr h GLU 22 N 0.02 0.00 0.00 0.00 4.39 -1.93 -3.31 114.58 113.75 2jmr h GLU 22 Ca 0.28 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.98 2jmr h GLU 22 Cb 1.11 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.76 2jmr h GLU 22 CO -0.01 0.02 0.00 0.45 -1.16 0.00 0.00 179.01 178.31 2jmr n SER 23 N -3.20 0.51 -4.92 1.42 2.88 -0.19 -4.69 113.62 105.44 2jmr n SER 23 Ca -0.02 -1.15 -0.22 0.00 -1.33 0.00 0.00 58.87 56.15 2jmr n SER 23 Cb 0.18 0.00 -0.03 0.00 -0.75 0.00 0.00 64.21 63.61 2jmr n SER 23 CO 0.00 0.00 0.00 0.28 -1.23 0.00 0.00 175.04 174.09 2jmr s THR 24 N -0.15 4.99 -0.24 2.46 -1.32 -1.03 -4.74 115.64 115.61 2jmr s THR 24 Ca 0.00 -1.08 0.00 0.00 -1.21 0.00 0.00 61.69 59.40 2jmr s THR 24 Cb 0.00 -3.68 0.00 0.00 -1.51 0.00 0.00 72.50 67.31 2jmr s THR 24 CO 0.00 -0.29 0.00 0.59 -2.21 0.00 0.00 174.62 172.71 2jmr n ASN 25 N -1.18 -5.92 -2.80 8.08 4.13 -1.17 -4.92 115.26 111.48 2jmr n ASN 25 Ca -0.08 0.06 -0.12 0.00 1.68 0.00 0.00 54.58 56.11 2jmr n ASN 25 Cb 0.57 -3.62 0.09 0.00 -1.54 0.00 0.00 39.78 35.27 2jmr n ASN 25 CO 0.00 0.00 0.00 2.22 0.28 0.00 0.00 177.26 179.76 2jmr n PHE 26 N -2.05 -3.99 -4.15 3.10 -1.74 -1.26 -5.01 117.46 102.36 2jmr n PHE 26 Ca -0.02 -0.50 -0.11 0.00 -0.56 0.00 0.00 57.45 56.26 2jmr n PHE 26 Cb 0.52 -0.43 -0.10 0.00 1.52 0.00 0.00 39.48 40.98 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 -2.22 0.69 -0.12 1.97 2.01 -1.26 -4.16 115.64 112.55 2jmr s THR 27 Ca 0.32 -1.76 0.02 0.00 0.31 0.00 0.00 61.69 60.58 2jmr s THR 27 Cb -0.01 -1.47 0.01 0.00 0.01 0.00 0.00 72.50 71.05 2jmr s THR 27 CO 0.22 -0.76 -0.18 -0.69 -0.69 0.00 0.00 174.62 172.52 2jmr s VAL 28 N -3.13 1.72 -0.12 3.82 1.01 -0.97 -5.00 120.40 117.72 2jmr s VAL 28 Ca 0.07 -0.78 -0.29 0.00 0.00 0.00 0.00 61.98 60.98 2jmr s VAL 28 Cb 0.02 -1.55 -0.01 0.00 0.00 0.00 0.00 36.38 34.84 2jmr s VAL 28 CO -0.03 0.48 1.02 -0.62 0.00 0.00 0.00 175.10 175.95 2jmr s ASP 29 N 0.88 7.22 -0.57 3.32 2.15 -1.26 -0.67 116.67 127.73 2jmr s ASP 29 Ca -0.08 1.52 -0.01 0.00 0.43 0.00 0.00 52.55 54.41 2jmr s ASP 29 Cb -0.15 -2.55 0.15 0.00 -0.30 0.00 0.00 42.92 40.06 2jmr s ASP 29 CO -0.01 -0.49 0.37 -0.76 -0.17 0.00 0.00 175.17 174.11 2jmr s LEU 30 N 2.20 5.04 0.00 -1.34 1.02 -0.07 -4.94 118.68 120.59 2jmr s LEU 30 Ca 0.48 -2.78 0.00 0.00 0.02 0.00 0.00 54.13 51.85 2jmr s LEU 30 Cb -0.18 -1.80 0.00 0.00 0.02 0.00 0.00 46.19 44.23 2jmr s LEU 30 CO 0.16 -0.36 0.12 1.15 0.02 0.00 0.00 176.35 177.44 2jmr n MET 31 N 3.55 0.00 -4.18 1.70 0.00 -1.26 -4.04 117.12 112.89 2jmr n MET 31 Ca 0.06 0.12 -0.14 0.00 0.00 0.00 0.00 57.70 57.73 2jmr n MET 31 Cb 0.37 -0.22 -0.08 0.00 0.00 0.00 0.00 33.22 33.29 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 -1.24 1.55 -0.43 3.17 8.01 -1.26 -4.46 118.70 124.03 2jmr s GLU 32 Ca 0.00 -1.73 0.03 0.00 0.01 0.00 0.00 54.97 53.28 2jmr s GLU 32 Cb 0.00 0.34 0.16 0.00 -4.31 0.00 0.00 34.13 30.32 2jmr s GLU 32 CO 0.00 -0.58 0.32 -0.80 0.01 0.00 0.00 175.26 174.21 2jmr s ASN 33 N -3.22 2.36 0.31 -0.19 0.02 0.61 -4.88 114.94 109.95 2jmr s ASN 33 Ca 0.36 -2.92 -0.26 0.00 -1.02 0.00 0.00 52.86 49.01 2jmr s ASN 33 Cb 0.03 -0.62 -0.14 0.00 0.02 0.00 0.00 41.25 40.54 2jmr s ASN 33 CO 0.18 -0.20 0.75 0.00 0.02 0.00 0.00 177.10 177.85 2jmr n ALA 34 N 3.07 -1.24 0.03 0.60 0.00 -1.26 -3.96 120.51 117.75 2jmr n ALA 34 Ca 0.23 0.33 -0.13 0.00 0.00 0.00 0.00 53.44 53.87 2jmr n ALA 34 Cb 0.43 -1.85 -0.09 0.00 0.00 0.00 0.00 19.45 17.94 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 1.38 -0.05 0.00 0.00 0.00 -1.01 -3.36 119.26 116.21 2jmr h ALA 35 Ca -0.37 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.39 2jmr h ALA 35 Cb 1.38 0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.19 2jmr h ALA 35 CO 0.57 -0.39 0.00 1.63 0.00 0.00 0.00 179.25 181.06 2jmr n LYS 36 N -4.98 0.09 0.03 0.00 5.02 -1.26 -0.91 118.16 116.14 2jmr n LYS 36 Ca -0.08 0.10 0.10 0.00 -2.02 0.00 0.00 58.31 56.41 2jmr n LYS 36 Cb 0.17 -1.50 0.42 0.00 -0.02 0.00 0.00 35.03 34.10 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 -1.44 0.05 -2.78 1.97 10.64 -1.26 -4.33 117.38 120.23 2jmr n GLN 37 Ca 0.07 0.22 -0.38 0.00 -1.83 0.00 0.00 57.00 55.07 2jmr n GLN 37 Cb 0.24 -1.58 0.00 0.00 -0.86 0.00 0.00 30.24 28.05 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 -1.67 2.96 -0.73 2.61 3.72 -0.09 -4.79 117.46 119.47 2jmr n PHE 38 Ca 0.04 -2.88 -0.11 0.00 -0.05 0.00 0.00 57.45 54.44 2jmr n PHE 38 Cb 0.24 -1.05 0.21 0.00 -0.94 0.00 0.00 39.48 37.93 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 0.14 4.02 0.00 4.37 0.23 -1.26 -4.52 115.26 118.24 2jmr n ASN 39 Ca 0.40 -3.13 0.00 0.00 -0.53 0.00 0.00 54.58 51.32 2jmr n ASN 39 Cb 0.30 -0.74 0.00 0.00 -2.08 0.00 0.00 39.78 37.26 2jmr n ASN 39 CO 0.00 0.00 0.00 -0.46 -0.93 0.00 0.00 177.26 175.87 2jmr n ASN 40 N -0.41 0.00 -0.05 0.53 6.94 -1.26 -4.87 115.26 116.14 2jmr n ASN 40 Ca 0.40 0.00 -0.14 0.00 -0.02 0.00 0.00 54.58 54.82 2jmr n ASN 40 Cb 1.32 0.00 -0.08 0.00 -2.36 0.00 0.00 39.78 38.66 2jmr n ASN 40 CO 0.00 0.00 0.00 0.40 -1.03 0.00 0.00 177.26 176.63 2jmr h ILE 41 N 0.24 1.37 0.00 1.53 5.03 -1.85 -3.09 117.51 120.74 2jmr h ILE 41 Ca 0.00 -1.50 0.00 0.00 -0.12 0.00 0.00 64.86 63.24 2jmr h ILE 41 Cb 0.00 2.02 0.00 0.00 -3.03 0.00 0.00 36.82 35.81 2jmr h ILE 41 CO 0.00 0.44 0.00 0.61 -0.68 0.00 0.00 178.15 178.52 2jmr n GLY 42 N 0.40 -0.05 3.04 5.37 0.00 -1.26 -4.05 105.19 108.64 2jmr n GLY 42 Ca -0.07 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.54 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 -0.23 4.39 -2.66 4.61 0.00 -1.17 -4.95 120.51 120.50 2jmr n ALA 43 Ca 0.00 -3.69 -0.42 0.00 0.00 0.00 0.00 53.44 49.33 2jmr n ALA 43 Cb 0.04 -3.57 -0.03 0.00 0.00 0.00 0.00 19.45 15.89 2jmr n ALA 43 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 2jmr s THR 44 N 4.38 4.74 0.88 0.00 2.01 -1.26 -4.24 115.64 122.15 2jmr s THR 44 Ca 0.52 1.97 -0.12 0.00 0.31 0.00 0.00 61.69 64.38 2jmr s THR 44 Cb 0.11 -4.27 0.12 0.00 0.01 0.00 0.00 72.50 68.47 2jmr s THR 44 CO 0.01 0.10 1.10 0.42 -0.69 0.00 0.00 174.62 175.56 2jmr s THR 45 N 1.36 2.65 -0.55 -0.82 -4.23 -1.25 -4.94 115.64 107.86 2jmr s THR 45 Ca 0.52 0.21 -0.26 0.00 -1.18 0.00 0.00 61.69 60.98 2jmr s THR 45 Cb -0.21 -2.82 -0.07 0.00 1.34 0.00 0.00 72.50 70.74 2jmr s THR 45 CO 0.25 -0.28 2.32 -2.16 -0.54 0.00 0.00 174.62 174.22 2jmr s PRO 46 N -5.06 2.12 0.44 3.99 0.04 -1.26 -4.92 135.00 130.35 2jmr s PRO 46 Ca 0.63 1.17 -0.26 0.00 0.04 0.00 0.00 61.00 62.58 2jmr s PRO 46 Cb -0.16 -4.59 -0.08 0.00 0.04 0.00 0.00 34.50 29.70 2jmr s PRO 46 CO 0.56 -3.33 1.40 0.54 0.04 0.00 0.00 177.00 176.20 2jmr s VAL 47 N 12.02 2.20 0.05 -0.36 0.11 -1.26 -4.94 120.40 128.23 2jmr s VAL 47 Ca 0.92 0.18 0.01 0.00 -2.93 0.00 0.00 61.98 60.17 2jmr s VAL 47 Cb -0.16 -3.11 -0.04 0.00 -1.53 0.00 0.00 36.38 31.55 2jmr s VAL 47 CO 0.23 0.03 0.12 0.54 -3.33 0.00 0.00 175.10 172.69 2jmr s VAL 48 N -1.21 4.85 0.12 2.04 0.11 -0.91 -4.95 120.40 120.45 2jmr s VAL 48 Ca 0.60 -0.57 -0.31 0.00 -2.93 0.00 0.00 61.98 58.77 2jmr s VAL 48 Cb -0.42 -3.32 -0.09 0.00 -1.53 0.00 0.00 36.38 31.02 2jmr s VAL 48 CO 0.55 0.18 1.48 -2.84 -3.33 0.00 0.00 175.10 171.14 2jmr s PRO 49 N -2.28 4.27 0.00 1.54 0.02 -1.26 -2.98 135.00 134.31 2jmr s PRO 49 Ca 0.30 2.19 -0.07 0.00 0.02 0.00 0.00 61.00 63.43 2jmr s PRO 49 Cb -0.12 -3.27 0.00 0.00 0.02 0.00 0.00 34.50 31.12 2jmr s PRO 49 CO 0.22 -0.54 0.14 0.12 -0.33 0.00 0.00 177.00 176.61 2jmr s PHE 50 N 1.37 0.04 0.10 6.54 5.36 -0.81 -4.92 117.98 125.67 2jmr s PHE 50 Ca 0.67 -0.13 -0.11 0.00 -0.96 0.00 0.00 56.93 56.41 2jmr s PHE 50 Cb -0.39 -0.05 0.01 0.00 -0.34 0.00 0.00 43.02 42.25 2jmr s PHE 50 CO 0.30 -0.28 0.26 -0.98 -1.46 0.00 0.00 175.22 173.06 2jmr s ARG 51 N -1.37 0.93 -0.15 10.12 1.04 -1.26 -1.80 118.95 126.45 2jmr s ARG 51 Ca -0.15 -0.90 -0.08 0.00 -1.04 0.00 0.00 55.73 53.57 2jmr s ARG 51 Cb -0.08 0.38 -0.04 0.00 -2.04 0.00 0.00 34.95 33.17 2jmr s ARG 51 CO 0.02 -0.32 0.12 0.42 -0.04 0.00 0.00 175.30 175.49 2jmr s ILE 52 N -3.85 5.30 -0.26 4.99 1.01 -1.26 -5.00 121.20 122.13 2jmr s ILE 52 Ca 0.05 0.14 -0.09 0.00 0.00 0.00 0.00 60.65 60.75 2jmr s ILE 52 Cb 0.04 -3.35 -0.04 0.00 0.01 0.00 0.00 42.46 39.12 2jmr s ILE 52 CO -0.11 0.54 0.12 -0.22 0.00 0.00 0.00 174.94 175.27 2jmr s LEU 53 N -0.39 3.67 -0.62 2.97 1.98 -1.26 -3.43 118.68 121.60 2jmr s LEU 53 Ca 0.11 -0.13 -0.05 0.00 -2.89 0.00 0.00 54.13 51.18 2jmr s LEU 53 Cb -0.12 -2.00 0.16 0.00 0.66 0.00 0.00 46.19 44.89 2jmr s LEU 53 CO 0.01 -0.04 0.46 -0.76 -1.89 0.00 0.00 176.35 174.13 2jmr s LEU 54 N 1.67 5.50 0.01 -0.68 2.01 -0.30 -0.88 118.68 126.01 2jmr s LEU 54 Ca 0.07 -2.68 0.01 0.00 0.01 0.00 0.00 54.13 51.53 2jmr s LEU 54 Cb -0.15 -1.92 -0.01 0.00 0.01 0.00 0.00 46.19 44.12 2jmr s LEU 54 CO 0.07 -0.44 -0.03 -0.94 1.01 0.00 0.00 176.35 176.01 2jmr s SER 55 N 1.17 0.33 0.86 2.29 1.04 -0.55 -4.08 113.70 114.77 2jmr s SER 55 Ca 0.15 -0.25 -0.10 0.00 0.48 0.00 0.00 55.95 56.23 2jmr s SER 55 Cb -0.19 0.02 0.11 0.00 0.10 0.00 0.00 66.02 66.06 2jmr s SER 55 CO -0.04 -0.10 1.13 -2.16 0.98 0.00 0.00 173.24 173.05 2jmr s PRO 56 N -0.69 1.45 0.28 4.02 0.04 -1.24 -2.86 135.00 135.99 2jmr s PRO 56 Ca -0.06 1.45 0.04 0.00 0.04 0.00 0.00 61.00 62.47 2jmr s PRO 56 Cb -0.05 -1.78 -0.02 0.00 0.04 0.00 0.00 34.50 32.69 2jmr s PRO 56 CO -0.00 -2.30 0.15 0.00 0.04 0.00 0.00 177.00 174.89 2jmr n GLY 58 N -0.20 3.36 0.00 0.00 0.00 -1.22 -4.50 105.19 102.63 2jmr n GLY 58 Ca -0.01 -1.95 0.03 0.00 0.00 0.00 0.00 46.02 44.10 2jmr n GLY 58 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 2jmr n ASN 59 N -1.86 2.40 -1.80 1.61 0.23 -0.70 -0.63 115.26 114.52 2jmr n ASN 59 Ca 0.01 -0.24 -0.07 0.00 -0.53 0.00 0.00 54.58 53.75 2jmr n ASN 59 Cb 0.44 1.16 -0.10 0.00 -2.08 0.00 0.00 39.78 39.20 2jmr n ASN 59 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 2jmr n ALA 60 N -1.49 5.32 -3.40 -2.53 0.00 -0.26 -4.81 120.51 113.34 2jmr n ALA 60 Ca -0.00 -1.05 -0.13 0.00 0.00 0.00 0.00 53.44 52.27 2jmr n ALA 60 Cb 0.13 -1.77 -0.13 0.00 0.00 0.00 0.00 19.45 17.68 2jmr n ALA 60 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.50 177.64 2jmr s VAL 61 N 0.61 -0.02 -0.16 0.00 -7.23 -1.26 -4.69 120.40 107.65 2jmr s VAL 61 Ca 0.38 0.07 -0.14 0.00 -1.81 0.00 0.00 61.98 60.49 2jmr s VAL 61 Cb 0.18 -0.34 -0.05 0.00 0.56 0.00 0.00 36.38 36.74 2jmr s VAL 61 CO 0.00 0.03 -0.27 -1.54 -0.31 0.00 0.00 175.10 173.01 2jmr n SER 62 N 3.56 1.78 -3.51 4.85 3.41 -1.26 -4.80 113.62 117.65 2jmr n SER 62 Ca -0.19 0.42 -0.15 0.00 -0.26 0.00 0.00 58.87 58.69 2jmr n SER 62 Cb 0.56 -0.77 -0.05 0.00 -0.26 0.00 0.00 64.21 63.69 2jmr n SER 62 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2jmr s ALA 63 N -2.86 -1.61 0.54 7.33 0.00 -1.26 -2.00 121.76 121.91 2jmr s ALA 63 Ca -0.22 0.92 0.00 0.00 0.00 0.00 0.00 51.96 52.66 2jmr s ALA 63 Cb 0.03 0.33 0.07 0.00 0.00 0.00 0.00 23.12 23.55 2jmr s ALA 63 CO 0.33 -0.51 0.48 0.28 0.00 0.00 0.00 175.76 176.35 2jmr n VAL 64 N 0.46 0.00 -4.12 0.00 0.31 -1.26 -4.53 118.33 109.19 2jmr n VAL 64 Ca -0.18 -0.77 -0.15 0.00 -0.01 0.00 0.00 64.34 63.23 2jmr n VAL 64 Cb 0.60 -1.13 -0.12 0.00 -0.91 0.00 0.00 33.84 32.28 2jmr n VAL 64 CO 0.00 0.00 0.00 -0.54 -1.32 0.00 0.00 176.83 174.97 2jmr s LYS 65 N -3.69 0.63 0.00 5.55 -0.14 -0.99 -4.24 119.74 116.87 2jmr s LYS 65 Ca 0.32 -0.78 0.06 0.00 -1.36 0.00 0.00 55.97 54.21 2jmr s LYS 65 Cb -0.02 -0.49 -0.02 0.00 -1.68 0.00 0.00 37.83 35.62 2jmr s LYS 65 CO 0.21 0.10 -0.19 0.54 -0.76 0.00 0.00 175.35 175.26 2jmr s VAL 66 N -1.24 1.51 -0.36 3.17 0.11 -1.26 -0.72 120.40 121.61 2jmr s VAL 66 Ca -0.06 -0.92 0.01 0.00 -2.93 0.00 0.00 61.98 58.08 2jmr s VAL 66 Cb -0.09 -1.28 0.11 0.00 -1.53 0.00 0.00 36.38 33.59 2jmr s VAL 66 CO 0.01 0.34 0.13 -0.83 -3.33 0.00 0.00 175.10 171.42 2jmr s GLY 67 N -0.68 1.51 -0.40 6.54 0.00 -0.17 -4.87 107.32 109.26 2jmr s GLY 67 Ca 0.07 -2.21 -0.29 0.00 0.00 0.00 0.00 44.72 42.29 2jmr s GLY 67 CO 0.00 1.40 1.13 -1.36 0.00 0.00 0.00 173.10 174.27 2jmr s PHE 68 N 1.01 2.94 0.02 1.90 0.40 -1.26 -1.22 117.98 121.77 2jmr s PHE 68 Ca 0.12 0.93 0.01 0.00 -0.60 0.00 0.00 56.93 57.40 2jmr s PHE 68 Cb -0.20 -4.08 -0.02 0.00 0.51 0.00 0.00 43.02 39.23 2jmr s PHE 68 CO -0.13 -1.11 -0.05 0.95 0.70 0.00 0.00 175.22 175.59 2jmr s THR 69 N 4.14 0.29 -3.79 0.64 -4.23 -0.08 -2.12 115.64 110.49 2jmr s THR 69 Ca 0.48 -0.75 0.00 0.00 -1.18 0.00 0.00 61.69 60.24 2jmr s THR 69 Cb -0.10 -0.36 0.00 0.00 1.34 0.00 0.00 72.50 73.38 2jmr s THR 69 CO 0.24 -0.31 0.00 0.61 -0.54 0.00 0.00 174.62 174.63 2jmr n GLY 70 N 1.94 -1.43 3.64 3.99 0.00 -1.26 -0.98 105.19 111.08 2jmr n GLY 70 Ca -0.20 -1.13 -0.43 0.00 0.00 0.00 0.00 46.02 44.25 2jmr n GLY 70 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2jmr s VAL 71 N -2.93 3.86 0.37 1.61 0.11 -1.26 -4.87 120.40 117.29 2jmr s VAL 71 Ca 0.00 0.99 -0.24 0.00 -2.93 0.00 0.00 61.98 59.79 2jmr s VAL 71 Cb 0.00 -3.82 -0.10 0.00 -1.53 0.00 0.00 36.38 30.93 2jmr s VAL 71 CO 0.00 -0.29 0.98 0.00 -3.33 0.00 0.00 175.10 172.46 2jmr s ALA 72 N 4.67 3.14 0.27 1.54 0.00 -1.26 -0.71 121.76 129.41 2jmr s ALA 72 Ca 0.66 0.55 -0.29 0.00 0.00 0.00 0.00 51.96 52.88 2jmr s ALA 72 Cb -0.23 -3.20 -0.09 0.00 0.00 0.00 0.00 23.12 19.59 2jmr s ALA 72 CO 0.26 0.06 0.98 0.34 0.00 0.00 0.00 175.76 177.40 2jmr s ASP 73 N -1.72 7.46 0.51 0.00 2.15 -0.98 -4.61 116.67 119.49 2jmr s ASP 73 Ca 0.55 2.01 0.25 0.00 0.43 0.00 0.00 52.55 55.80 2jmr s ASP 73 Cb -0.18 -2.61 1.38 0.00 -0.30 0.00 0.00 42.92 41.21 2jmr s ASP 73 CO 0.23 0.02 2.06 0.28 -0.17 0.00 0.00 175.17 177.58 2jmr h SER 74 N 3.82 0.00 0.06 -0.34 0.02 -1.96 -1.35 113.55 113.80 2jmr h SER 74 Ca -0.46 0.00 -0.33 0.00 -0.84 0.00 0.00 61.79 60.16 2jmr h SER 74 Cb 1.20 0.00 -0.03 0.00 0.14 0.00 0.00 62.40 63.71 2jmr h SER 74 CO 0.67 0.13 -1.83 1.41 -1.14 0.00 0.00 176.83 176.07 2jmr n HIS 75 N -3.73 0.95 -3.32 3.45 8.25 -1.26 -4.74 115.22 114.81 2jmr n HIS 75 Ca -0.02 0.28 -0.25 0.00 -0.26 0.00 0.00 57.72 57.47 2jmr n HIS 75 Cb 0.24 -1.11 -0.08 0.00 1.12 0.00 0.00 29.99 30.16 2jmr n HIS 75 CO 0.00 0.00 0.00 0.09 0.64 0.00 0.00 176.34 177.07 2jmr n ASN 76 N -3.87 1.51 0.05 0.41 3.02 -1.14 -4.97 115.26 110.26 2jmr n ASN 76 Ca -0.35 -2.95 0.04 0.00 -0.03 0.00 0.00 54.58 51.28 2jmr n ASN 76 Cb 0.90 -0.65 0.21 0.00 -0.61 0.00 0.00 39.78 39.63 2jmr n ASN 76 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2jmr n ALA 77 N 1.35 1.11 -0.03 5.41 0.00 -0.52 -0.78 120.51 127.06 2jmr n ALA 77 Ca 0.25 0.05 -0.06 0.00 0.00 0.00 0.00 53.44 53.68 2jmr n ALA 77 Cb 0.48 -1.13 0.14 0.00 0.00 0.00 0.00 19.45 18.94 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 0.62 -3.96 0.00 4.21 -1.91 -3.39 115.58 111.16 2jmr h ASN 78 Ca 0.00 -0.22 -0.47 0.00 1.21 0.00 0.00 56.30 56.82 2jmr h ASN 78 Cb 0.04 -0.17 -0.00 0.00 -1.12 0.00 0.00 38.32 37.07 2jmr h ASN 78 CO 0.00 0.86 0.25 -0.76 -1.29 0.00 0.00 177.43 176.49 2jmr s LEU 79 N -8.76 3.84 0.11 1.61 2.01 0.04 -1.87 118.68 115.66 2jmr s LEU 79 Ca -0.08 1.44 -0.30 0.00 0.01 0.00 0.00 54.13 55.20 2jmr s LEU 79 Cb 0.13 -4.32 -0.07 0.00 0.01 0.00 0.00 46.19 41.94 2jmr s LEU 79 CO 0.81 -0.41 1.23 -0.22 1.01 0.00 0.00 176.35 178.77 2jmr s LEU 80 N -3.58 4.40 0.00 1.79 0.20 -1.26 -2.31 118.68 117.91 2jmr s LEU 80 Ca 0.57 2.14 -0.02 0.00 0.69 0.00 0.00 54.13 57.51 2jmr s LEU 80 Cb -0.10 -3.59 0.03 0.00 -0.43 0.00 0.00 46.19 42.10 2jmr s LEU 80 CO 0.24 -0.47 0.13 0.00 -0.29 0.00 0.00 176.35 175.96 2jmr n ALA 81 N 3.47 -0.29 -4.16 5.97 0.00 0.11 -1.38 120.51 124.23 2jmr n ALA 81 Ca 0.08 -0.18 -0.17 0.00 0.00 0.00 0.00 53.44 53.17 2jmr n ALA 81 Cb 0.45 -0.01 -0.04 0.00 0.00 0.00 0.00 19.45 19.85 2jmr n ALA 81 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 177.50 178.97 2jmr n LEU 82 N 0.00 0.00 0.00 0.00 -0.00 -1.26 -4.53 117.00 111.21 2jmr n LEU 82 Ca 0.02 -1.83 0.02 0.00 -0.00 0.00 0.00 56.01 54.22 2jmr n LEU 82 Cb 0.06 0.49 0.10 0.00 -0.00 0.00 0.00 43.42 44.07 2jmr n LEU 82 CO 0.05 -0.28 0.50 -1.84 -0.00 0.00 0.00 177.39 175.82 2jmr n GLU 83 N -0.59 0.04 -3.01 1.47 0.28 0.51 -4.81 120.64 114.54 2jmr n GLU 83 Ca -0.06 0.29 -0.22 0.00 -0.16 0.00 0.00 57.16 57.01 2jmr n GLU 83 Cb 0.36 -1.50 0.03 0.00 1.43 0.00 0.00 31.44 31.76 2jmr n GLU 83 CO 0.00 0.00 0.00 -1.71 -0.16 0.00 0.00 177.13 175.26 2jmr n ASN 84 N -1.34 -6.10 -5.00 -1.84 4.05 -1.26 -4.98 115.26 98.79 2jmr n ASN 84 Ca 0.02 -0.28 -0.18 0.00 0.45 0.00 0.00 54.58 54.58 2jmr n ASN 84 Cb 0.03 -4.94 0.01 0.00 1.23 0.00 0.00 39.78 36.12 2jmr n ASN 84 CO 0.00 0.00 0.00 0.28 -3.05 0.00 0.00 177.26 174.49 2jmr s THR 85 N -3.17 3.25 0.19 -0.44 -1.32 -1.26 -4.99 115.64 107.89 2jmr s THR 85 Ca 0.30 -0.94 -0.09 0.00 -1.21 0.00 0.00 61.69 59.74 2jmr s THR 85 Cb -0.13 -3.11 0.10 0.00 -1.51 0.00 0.00 72.50 67.84 2jmr s THR 85 CO 0.37 -0.05 1.70 1.62 -2.21 0.00 0.00 174.62 176.05 2jmr h VAL 86 N 0.62 1.26 0.00 5.08 3.04 -1.93 -1.57 116.25 122.74 2jmr h VAL 86 Ca -0.42 -0.97 0.00 0.00 -1.01 0.00 0.00 66.70 64.31 2jmr h VAL 86 Cb 1.28 0.60 0.00 0.00 -2.01 0.00 0.00 31.29 31.16 2jmr h VAL 86 CO 0.48 0.37 0.00 -1.20 -1.01 0.00 0.00 177.57 176.21 2jmr n SER 87 N -4.27 0.00 -4.92 3.17 7.64 -1.26 -4.66 113.62 109.32 2jmr n SER 87 Ca 0.04 -0.58 -0.20 0.00 1.01 0.00 0.00 58.87 59.15 2jmr n SER 87 Cb 0.26 -0.08 -0.02 0.00 -1.01 0.00 0.00 64.21 63.37 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 -2.15 4.15 0.69 -0.43 0.00 -0.59 -0.20 121.76 123.22 2jmr s ALA 88 Ca 0.33 -1.69 -0.16 0.00 0.00 0.00 0.00 51.96 50.44 2jmr s ALA 88 Cb 0.17 -1.33 0.02 0.00 0.00 0.00 0.00 23.12 21.97 2jmr s ALA 88 CO 0.30 -0.13 1.21 0.00 0.00 0.00 0.00 175.76 177.14 2jmr s ALA 89 N -2.34 2.25 -0.35 0.00 0.00 -1.26 -4.73 121.76 115.34 2jmr s ALA 89 Ca 0.47 0.91 0.21 0.00 0.00 0.00 0.00 51.96 53.55 2jmr s ALA 89 Cb -0.07 -3.46 0.23 0.00 0.00 0.00 0.00 23.12 19.82 2jmr s ALA 89 CO 0.29 -1.66 1.49 0.77 0.00 0.00 0.00 175.76 176.65 2jmr h SER 90 N 0.04 0.00 0.00 0.00 0.02 -1.88 -3.39 113.55 108.34 2jmr h SER 90 Ca -0.48 0.00 -0.09 0.00 -0.84 0.00 0.00 61.79 60.37 2jmr h SER 90 Cb 1.30 0.00 -0.09 0.00 0.14 0.00 0.00 62.40 63.75 2jmr h SER 90 CO 0.51 0.13 -0.17 0.61 -1.14 0.00 0.00 176.83 176.77 2jmr n GLY 91 N 1.14 0.49 3.23 -3.77 0.00 -1.26 -4.97 105.19 100.05 2jmr n GLY 91 Ca 0.03 -0.05 -0.34 0.00 0.00 0.00 0.00 46.02 45.66 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 -1.26 2.52 0.00 0.99 1.43 -1.26 -0.93 118.68 120.18 2jmr s LEU 92 Ca 0.03 -0.50 0.00 0.00 -1.03 0.00 0.00 54.13 52.63 2jmr s LEU 92 Cb 0.14 -1.60 0.00 0.00 0.03 0.00 0.00 46.19 44.76 2jmr s LEU 92 CO -0.04 0.02 0.00 0.61 0.23 0.00 0.00 176.35 177.17 2jmr n GLY 93 N 4.52 0.91 3.13 -3.19 0.00 0.01 -4.63 105.19 105.93 2jmr n GLY 93 Ca -0.19 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.75 2jmr n GLY 93 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2jmr s ILE 94 N 0.87 0.18 -0.20 -0.61 -1.09 -0.48 -4.54 121.20 115.33 2jmr s ILE 94 Ca 0.00 -1.74 0.01 0.00 -2.23 0.00 0.00 60.65 56.69 2jmr s ILE 94 Cb 0.00 -1.63 0.03 0.00 -1.58 0.00 0.00 42.46 39.29 2jmr s ILE 94 CO 0.00 -0.82 -0.16 -1.58 -1.23 0.00 0.00 174.94 171.15 2jmr s GLN 95 N -3.94 2.60 -0.20 2.79 0.74 -0.29 -3.92 119.66 117.43 2jmr s GLN 95 Ca 0.11 -0.91 -0.02 0.00 0.05 0.00 0.00 55.36 54.59 2jmr s GLN 95 Cb 0.07 -2.55 0.06 0.00 1.10 0.00 0.00 33.01 31.69 2jmr s GLN 95 CO -0.07 -0.32 0.01 -0.51 -0.55 0.00 0.00 175.29 173.85 2jmr s LEU 96 N 1.29 1.52 0.14 3.68 1.43 -1.26 -1.09 118.68 124.39 2jmr s LEU 96 Ca 0.01 -0.90 -0.05 0.00 -1.03 0.00 0.00 54.13 52.16 2jmr s LEU 96 Cb -0.15 -0.74 -0.02 0.00 0.03 0.00 0.00 46.19 45.30 2jmr s LEU 96 CO -0.10 -0.29 0.16 -1.48 0.23 0.00 0.00 176.35 174.87 2jmr s LEU 97 N 1.74 1.42 0.92 1.79 0.05 -0.89 -4.34 118.68 119.38 2jmr s LEU 97 Ca -0.02 -1.03 -0.15 0.00 0.05 0.00 0.00 54.13 52.98 2jmr s LEU 97 Cb -0.17 0.72 0.16 0.00 -2.05 0.00 0.00 46.19 44.84 2jmr s LEU 97 CO -0.07 -0.80 1.26 0.54 -0.55 0.00 0.00 176.35 176.73 2jmr s ASN 98 N -3.00 3.52 0.35 1.48 6.03 -1.26 -0.43 114.94 121.62 2jmr s ASN 98 Ca 0.20 0.48 0.26 0.00 -1.03 0.00 0.00 52.86 52.77 2jmr s ASN 98 Cb 0.06 -0.70 1.19 0.00 -3.03 0.00 0.00 41.25 38.77 2jmr s ASN 98 CO 0.00 -2.50 1.25 1.21 -2.03 0.00 0.00 177.10 175.04 2jmr n GLU 99 N -3.65 -0.03 0.00 3.55 2.13 0.15 -0.44 120.64 122.34 2jmr n GLU 99 Ca 0.12 1.01 0.14 0.00 0.66 0.00 0.00 57.16 59.09 2jmr n GLU 99 Cb 0.60 -1.98 0.55 0.00 0.27 0.00 0.00 31.44 30.87 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 -4.31 0.51 -1.80 5.31 6.02 -1.26 -4.88 117.38 116.97 2jmr n GLN 100 Ca 0.32 -0.19 -0.13 0.00 -0.01 0.00 0.00 57.00 57.00 2jmr n GLN 100 Cb 1.25 -1.50 -0.04 0.00 1.02 0.00 0.00 30.24 30.98 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 -1.08 -1.65 -2.71 -1.09 6.02 0.41 -4.93 117.38 112.36 2jmr n GLN 101 Ca 0.12 0.70 -0.42 0.00 -0.01 0.00 0.00 57.00 57.39 2jmr n GLN 101 Cb 0.30 -5.08 -0.04 0.00 1.02 0.00 0.00 30.24 26.44 2jmr n GLN 101 CO 0.00 0.00 0.00 -0.80 -1.01 0.00 0.00 177.06 175.25 2jmr s ASN 102 N -2.06 7.42 -0.91 1.08 0.02 -1.26 -4.91 114.94 114.31 2jmr s ASN 102 Ca 0.00 1.73 -0.25 0.00 -1.02 0.00 0.00 52.86 53.32 2jmr s ASN 102 Cb 0.00 -2.58 -0.09 0.00 0.02 0.00 0.00 41.25 38.61 2jmr s ASN 102 CO 0.00 -0.18 2.08 -1.58 0.02 0.00 0.00 177.10 177.43 2jmr s GLN 103 N 0.58 2.21 -0.08 -0.60 0.74 -1.26 -4.26 119.66 117.00 2jmr s GLN 103 Ca 0.50 -0.19 -0.29 0.00 0.05 0.00 0.00 55.36 55.43 2jmr s GLN 103 Cb -0.22 -5.00 -0.07 0.00 1.10 0.00 0.00 33.01 28.82 2jmr s GLN 103 CO 0.29 -3.85 1.97 0.42 -0.55 0.00 0.00 175.29 173.57 2jmr s ILE 104 N 11.84 3.15 -0.12 -2.34 1.01 -1.26 -4.93 121.20 128.55 2jmr s ILE 104 Ca 0.77 0.17 -0.29 0.00 0.00 0.00 0.00 60.65 61.29 2jmr s ILE 104 Cb -0.08 -3.14 -0.02 0.00 0.01 0.00 0.00 42.46 39.24 2jmr s ILE 104 CO 0.04 -0.05 1.13 -2.16 0.00 0.00 0.00 174.94 173.91 2jmr s PRO 105 N 4.99 4.33 0.45 2.79 0.04 -1.26 -4.66 135.00 141.67 2jmr s PRO 105 Ca 0.88 1.54 -0.25 0.00 0.04 0.00 0.00 61.00 63.22 2jmr s PRO 105 Cb -0.37 -3.61 -0.09 0.00 0.04 0.00 0.00 34.50 30.47 2jmr s PRO 105 CO 0.37 -0.50 1.28 -0.11 0.04 0.00 0.00 177.00 178.09 2jmr n LEU 106 N 5.64 4.32 -1.71 -3.56 7.94 -0.78 -3.63 117.00 125.22 2jmr n LEU 106 Ca 0.11 1.08 -0.20 0.00 -1.11 0.00 0.00 56.01 55.88 2jmr n LEU 106 Cb 0.47 -1.52 -0.08 0.00 0.53 0.00 0.00 43.42 42.82 2jmr n LEU 106 CO 0.54 -0.65 -0.20 0.59 -1.11 0.00 0.00 177.39 176.56 2jmr n ASN 107 N -0.04 -5.42 -1.60 1.96 3.02 -0.90 -4.91 115.26 107.37 2jmr n ASN 107 Ca 0.07 0.43 0.00 0.00 -0.03 0.00 0.00 54.58 55.05 2jmr n ASN 107 Cb 0.41 -4.75 0.00 0.00 -0.61 0.00 0.00 39.78 34.82 2jmr n ASN 107 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2jmr n ALA 108 N 0.84 0.00 -1.98 5.41 0.00 -1.24 -5.11 120.51 118.43 2jmr n ALA 108 Ca -0.21 0.00 -0.30 0.00 0.00 0.00 0.00 53.44 52.94 2jmr n ALA 108 Cb 0.67 0.00 0.02 0.00 0.00 0.00 0.00 19.45 20.14 2jmr n ALA 108 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 2jmr s PRO 109 N -1.12 3.35 0.22 0.00 0.04 -1.26 -4.93 135.00 131.30 2jmr s PRO 109 Ca 0.00 0.49 0.15 0.00 0.04 0.00 0.00 61.00 61.68 2jmr s PRO 109 Cb 0.00 -2.15 0.80 0.00 0.04 0.00 0.00 34.50 33.19 2jmr s PRO 109 CO 0.00 -0.61 1.44 0.43 0.04 0.00 0.00 177.00 178.30 2jmr n SER 110 N -2.69 0.38 -0.04 6.66 7.64 -1.26 -2.34 113.62 121.97 2jmr n SER 110 Ca 0.05 0.67 0.13 0.00 1.01 0.00 0.00 58.87 60.74 2jmr n SER 110 Cb 0.55 -0.72 0.51 0.00 -1.01 0.00 0.00 64.21 63.55 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 -2.02 0.31 -0.22 6.43 3.41 -1.26 -3.89 113.62 116.38 2jmr n SER 111 Ca -0.01 -0.09 0.09 0.00 -0.26 0.00 0.00 58.87 58.60 2jmr n SER 111 Cb 0.04 -0.13 -0.06 0.00 -0.26 0.00 0.00 64.21 63.80 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 -1.31 3.96 -2.16 7.33 0.00 -0.99 -4.99 120.51 122.35 2jmr n ALA 112 Ca 0.09 -0.57 -0.10 0.00 0.00 0.00 0.00 53.44 52.86 2jmr n ALA 112 Cb 0.32 -0.70 -0.10 0.00 0.00 0.00 0.00 19.45 18.97 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 -2.61 1.72 0.36 0.00 0.05 -1.25 -4.83 118.68 112.12 2jmr s LEU 113 Ca 0.12 -1.21 0.04 0.00 0.05 0.00 0.00 54.13 53.13 2jmr s LEU 113 Cb 0.15 0.32 -0.05 0.00 -2.05 0.00 0.00 46.19 44.56 2jmr s LEU 113 CO 0.65 -0.74 0.07 -0.44 -0.55 0.00 0.00 176.35 175.34 2jmr s SER 114 N -3.05 2.63 0.41 1.48 0.01 -1.26 -4.92 113.70 109.00 2jmr s SER 114 Ca 0.25 -1.45 0.02 0.00 1.31 0.00 0.00 55.95 56.08 2jmr s SER 114 Cb 0.07 0.05 -0.01 0.00 0.21 0.00 0.00 66.02 66.34 2jmr s SER 114 CO 0.02 -0.68 0.07 1.87 0.41 0.00 0.00 173.24 174.93 2jmr n TRP 115 N -0.78 0.60 -3.61 2.43 -0.00 -1.26 -4.72 117.44 110.10 2jmr n TRP 115 Ca -0.04 -2.31 -0.21 0.00 -0.00 0.00 0.00 57.50 54.94 2jmr n TRP 115 Cb 0.66 -0.15 -0.03 0.00 -0.00 0.00 0.00 31.31 31.79 2jmr n TRP 115 CO 0.00 0.00 0.00 -0.08 -0.00 0.00 0.00 177.69 177.61 2jmr s THR 116 N -2.79 2.75 -0.48 5.87 -1.32 -1.26 -4.92 115.64 113.49 2jmr s THR 116 Ca 0.09 -1.36 -0.26 0.00 -1.21 0.00 0.00 61.69 58.95 2jmr s THR 116 Cb 0.00 -3.02 -0.06 0.00 -1.51 0.00 0.00 72.50 67.92 2jmr s THR 116 CO 0.07 -0.02 2.28 -0.89 -2.21 0.00 0.00 174.62 173.85 2jmr s THR 117 N -2.46 3.08 -0.93 5.08 2.01 -1.26 -4.33 115.64 116.83 2jmr s THR 117 Ca 0.47 0.05 -0.25 0.00 0.31 0.00 0.00 61.69 62.27 2jmr s THR 117 Cb -0.03 -3.19 -0.10 0.00 0.01 0.00 0.00 72.50 69.19 2jmr s THR 117 CO 0.28 -0.18 2.09 -0.76 -0.69 0.00 0.00 174.62 175.36 2jmr s LEU 118 N 11.21 2.98 0.16 4.42 1.02 -0.85 -4.94 118.68 132.68 2jmr s LEU 118 Ca 0.92 -0.65 -0.32 0.00 0.02 0.00 0.00 54.13 54.10 2jmr s LEU 118 Cb -0.18 -2.57 -0.17 0.00 0.02 0.00 0.00 46.19 43.30 2jmr s LEU 118 CO 0.26 -3.31 0.85 0.41 0.02 0.00 0.00 176.35 174.57 2jmr n THR 119 N 8.24 1.29 -1.92 5.49 -1.04 -1.26 -4.71 114.28 120.36 2jmr n THR 119 Ca 0.43 -0.32 -0.41 0.00 -2.04 0.00 0.00 64.05 61.70 2jmr n THR 119 Cb 0.46 -0.30 -0.02 0.00 -1.82 0.00 0.00 70.33 68.65 2jmr n THR 119 CO 0.00 0.00 0.00 -2.16 -0.64 0.00 0.00 175.07 172.27 2jmr s PRO 120 N -0.69 4.21 -0.96 -2.82 0.04 -1.26 -3.72 135.00 129.80 2jmr s PRO 120 Ca 0.72 2.41 -0.21 0.00 0.04 0.00 0.00 61.00 63.96 2jmr s PRO 120 Cb -0.96 -3.06 0.03 0.00 0.04 0.00 0.00 34.50 30.54 2jmr s PRO 120 CO 0.56 -0.48 0.40 0.41 0.04 0.00 0.00 177.00 177.93 2jmr n GLY 121 N 1.87 -0.51 1.46 0.56 0.00 0.20 -4.77 105.19 104.00 2jmr n GLY 121 Ca 0.06 0.22 -0.13 0.00 0.00 0.00 0.00 46.02 46.17 2jmr n GLY 121 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 2jmr n LYS 122 N -3.99 1.42 0.08 1.61 2.85 -1.24 -3.13 118.16 115.76 2jmr n LYS 122 Ca -0.12 -1.49 0.13 0.00 -1.05 0.00 0.00 58.31 55.79 2jmr n LYS 122 Cb 0.44 0.44 0.46 0.00 -0.65 0.00 0.00 35.03 35.72 2jmr n LYS 122 CO 0.00 0.00 0.00 -0.35 -0.05 0.00 0.00 177.40 177.00 2jmr n PRO 123 N -0.50 0.20 -2.02 -1.58 -0.04 -1.26 -4.43 135.00 125.37 2jmr n PRO 123 Ca -0.08 0.18 -0.18 0.00 -0.04 0.00 0.00 63.50 63.38 2jmr n PRO 123 Cb 0.26 -1.74 -0.04 0.00 -0.04 0.00 0.00 33.50 31.94 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 -2.08 -5.00 -4.09 3.54 4.13 -1.26 -1.15 115.26 109.35 2jmr n ASN 124 Ca 0.06 0.23 -0.56 0.00 1.68 0.00 0.00 54.58 55.98 2jmr n ASN 124 Cb 0.39 -4.31 -0.08 0.00 -1.54 0.00 0.00 39.78 34.25 2jmr n ASN 124 CO 0.00 0.00 0.00 0.41 0.28 0.00 0.00 177.26 177.95 2jmr n THR 125 N -3.09 0.00 -3.38 3.41 -1.04 -1.26 -4.63 114.28 104.30 2jmr n THR 125 Ca -0.20 0.00 -0.11 0.00 -2.04 0.00 0.00 64.05 61.70 2jmr n THR 125 Cb 0.63 -0.21 0.01 0.00 -1.82 0.00 0.00 70.33 68.94 2jmr n THR 125 CO 0.00 0.00 0.00 -0.11 -0.64 0.00 0.00 175.07 174.32 2jmr n LEU 126 N 2.38 0.00 -3.99 -4.42 0.00 -1.22 -5.04 117.00 104.70 2jmr n LEU 126 Ca 0.22 -1.26 -0.31 0.00 0.00 0.00 0.00 56.01 54.66 2jmr n LEU 126 Cb 0.01 -0.10 -0.15 0.00 0.00 0.00 0.00 43.42 43.18 2jmr n LEU 126 CO 0.66 -0.50 -0.44 0.20 0.00 0.00 0.00 177.39 177.32 2jmr s ASN 127 N -2.59 4.01 0.24 1.96 0.01 -1.26 -4.59 114.94 112.72 2jmr s ASN 127 Ca 0.21 -1.22 0.01 0.00 -0.71 0.00 0.00 52.86 51.15 2jmr s ASN 127 Cb -0.02 -1.32 -0.04 0.00 0.41 0.00 0.00 41.25 40.29 2jmr s ASN 127 CO 0.13 -0.21 0.14 -0.36 -1.51 0.00 0.00 177.10 175.29 2jmr s PHE 128 N 1.29 1.37 0.05 2.20 0.40 -0.75 -0.67 117.98 121.87 2jmr s PHE 128 Ca -0.06 -1.36 -0.02 0.00 -0.60 0.00 0.00 56.93 54.89 2jmr s PHE 128 Cb -0.19 -0.70 -0.04 0.00 0.51 0.00 0.00 43.02 42.61 2jmr s PHE 128 CO -0.06 -0.58 -0.01 0.71 0.70 0.00 0.00 175.22 175.98 2jmr s TYR 129 N -3.92 0.47 0.02 0.36 2.02 0.42 -1.92 117.35 114.80 2jmr s TYR 129 Ca 0.38 -0.99 -0.08 0.00 -0.37 0.00 0.00 57.07 56.02 2jmr s TYR 129 Cb 0.06 -0.35 0.00 0.00 -0.40 0.00 0.00 41.96 41.28 2jmr s TYR 129 CO 0.15 -0.38 0.15 0.00 -1.57 0.00 0.00 175.55 173.90 2jmr s ALA 130 N -3.73 -0.30 0.00 3.71 0.00 -1.16 -2.09 121.76 118.20 2jmr s ALA 130 Ca 0.05 -0.24 0.00 0.00 0.00 0.00 0.00 51.96 51.77 2jmr s ALA 130 Cb 0.06 0.18 0.00 0.00 0.00 0.00 0.00 23.12 23.36 2jmr s ALA 130 CO -0.09 -0.27 0.00 -2.13 0.00 0.00 0.00 175.76 173.27 2jmr n ARG 131 N 1.13 0.00 -4.01 0.00 3.00 -0.25 -2.13 116.66 114.40 2jmr n ARG 131 Ca -0.21 0.00 -0.33 0.00 -0.00 0.00 0.00 57.85 57.31 2jmr n ARG 131 Cb 0.57 0.00 -0.06 0.00 0.00 0.00 0.00 32.46 32.97 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 4.10 -0.05 6.15 1.43 -1.26 -1.14 118.68 127.91 2jmr s LEU 132 Ca 0.00 0.22 0.06 0.00 -1.03 0.00 0.00 54.13 53.37 2jmr s LEU 132 Cb 0.00 -2.47 -0.01 0.00 0.03 0.00 0.00 46.19 43.74 2jmr s LEU 132 CO 0.00 0.25 -0.24 -0.32 0.23 0.00 0.00 176.35 176.27 2jmr s MET 133 N -1.93 2.44 0.49 1.70 -2.45 -1.25 -3.86 119.30 114.43 2jmr s MET 133 Ca 0.26 -0.87 -0.18 0.00 -1.25 0.00 0.00 55.69 53.65 2jmr s MET 133 Cb -0.12 -2.08 -0.09 0.00 1.25 0.00 0.00 34.83 33.79 2jmr s MET 133 CO 0.18 0.37 0.98 0.00 1.05 0.00 0.00 175.02 177.59 2jmr s ALA 134 N -0.15 3.03 0.00 4.11 0.00 -1.26 -0.81 121.76 126.69 2jmr s ALA 134 Ca -0.03 0.29 0.00 0.00 0.00 0.00 0.00 51.96 52.21 2jmr s ALA 134 Cb -0.13 -3.14 0.00 0.00 0.00 0.00 0.00 23.12 19.84 2jmr s ALA 134 CO 0.03 -0.15 0.00 0.25 0.00 0.00 0.00 175.76 175.89 2jmr n THR 135 N -1.27 0.00 -3.24 0.00 -2.24 -0.10 -4.73 114.28 102.70 2jmr n THR 135 Ca 0.07 -0.16 0.00 0.00 -2.27 0.00 0.00 64.05 61.69 2jmr n THR 135 Cb 0.54 0.71 0.00 0.00 -2.10 0.00 0.00 70.33 69.48 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 -0.63 0.00 -2.96 -0.78 1.13 -1.00 -4.84 117.38 108.30 2jmr n GLN 136 Ca 0.00 0.00 -0.26 0.00 -1.94 0.00 0.00 57.00 54.80 2jmr n GLN 136 Cb 0.00 0.00 -0.04 0.00 0.11 0.00 0.00 30.24 30.31 2jmr n GLN 136 CO 0.00 0.00 0.00 0.28 -1.44 0.00 0.00 177.06 175.90 2jmr n VAL 137 N 0.00 2.73 0.03 5.09 0.31 -1.26 -4.20 118.33 121.03 2jmr n VAL 137 Ca 0.00 -5.47 -0.05 0.00 -0.01 0.00 0.00 64.34 58.81 2jmr n VAL 137 Cb 0.00 -1.27 -0.10 0.00 -0.91 0.00 0.00 33.84 31.56 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 2.98 0.00 -6.84 5.55 0.13 -1.87 -3.49 132.00 128.46 2jmr h PRO 138 Ca 0.13 0.00 -0.54 0.00 -0.87 0.00 0.00 66.00 64.72 2jmr h PRO 138 Cb 0.56 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.68 2jmr h PRO 138 CO 0.79 0.59 -1.05 1.33 -0.23 0.00 0.00 178.00 179.42 2jmr n VAL 139 N -3.12 -3.09 -4.10 1.56 0.24 -1.26 -4.98 118.33 103.57 2jmr n VAL 139 Ca -0.08 -0.31 -0.33 0.00 -2.04 0.00 0.00 64.34 61.58 2jmr n VAL 139 Cb 0.93 -2.65 -0.16 0.00 -1.47 0.00 0.00 33.84 30.49 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 -3.26 1.99 0.98 3.34 2.01 -1.26 -4.93 115.64 114.51 2jmr s THR 140 Ca 0.25 -0.90 -0.11 0.00 0.31 0.00 0.00 61.69 61.24 2jmr s THR 140 Cb -0.14 -1.81 0.16 0.00 0.01 0.00 0.00 72.50 70.73 2jmr s THR 140 CO 0.93 0.52 0.99 0.00 -0.69 0.00 0.00 174.62 176.38 2jmr n ALA 141 N 4.64 -1.54 0.00 7.40 0.00 -1.26 -4.59 120.51 125.17 2jmr n ALA 141 Ca -0.20 -0.70 0.00 0.00 0.00 0.00 0.00 53.44 52.53 2jmr n ALA 141 Cb 0.50 -2.09 0.00 0.00 0.00 0.00 0.00 19.45 17.86 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 0.62 -2.06 3.58 0.00 0.00 -1.09 -4.67 105.19 101.57 2jmr n GLY 142 Ca 0.09 -1.22 -0.31 0.00 0.00 0.00 0.00 46.02 44.58 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 -2.46 2.81 -0.04 1.61 -3.43 0.72 -0.05 115.29 114.45 2jmr s HIS 143 Ca 0.00 -0.10 -0.24 0.00 -0.80 0.00 0.00 55.06 53.92 2jmr s HIS 143 Cb 0.00 -1.53 -0.04 0.00 -1.43 0.00 0.00 32.58 29.58 2jmr s HIS 143 CO 0.00 0.38 0.73 0.42 -2.00 0.00 0.00 174.74 174.27 2jmr s ILE 144 N -1.08 4.99 -0.19 -5.38 1.09 0.03 -4.15 121.20 116.51 2jmr s ILE 144 Ca 0.19 1.52 -0.07 0.00 -1.10 0.00 0.00 60.65 61.19 2jmr s ILE 144 Cb -0.11 -4.07 0.09 0.00 -1.06 0.00 0.00 42.46 37.31 2jmr s ILE 144 CO 0.10 0.26 0.40 0.20 -0.10 0.00 0.00 174.94 175.81 2jmr s ASN 145 N 0.67 -0.20 0.35 3.58 -0.87 -1.26 -3.93 114.94 113.28 2jmr s ASN 145 Ca 0.39 0.95 -0.05 0.00 -1.57 0.00 0.00 52.86 52.58 2jmr s ASN 145 Cb -0.18 1.28 0.01 0.00 -0.02 0.00 0.00 41.25 42.34 2jmr s ASN 145 CO 0.20 -0.23 0.53 0.00 -2.57 0.00 0.00 177.10 175.02 2jmr s ALA 146 N 2.58 0.49 -0.08 0.60 0.00 -1.26 -0.36 121.76 123.73 2jmr s ALA 146 Ca -0.01 -1.38 -0.22 0.00 0.00 0.00 0.00 51.96 50.35 2jmr s ALA 146 Cb -0.12 1.07 0.05 0.00 0.00 0.00 0.00 23.12 24.12 2jmr s ALA 146 CO -0.12 -0.83 0.53 -0.08 0.00 0.00 0.00 175.76 175.26 2jmr s THR 147 N -2.94 0.02 0.25 0.00 -1.32 -1.26 -4.30 115.64 106.09 2jmr s THR 147 Ca 0.28 -0.15 -0.20 0.00 -1.21 0.00 0.00 61.69 60.41 2jmr s THR 147 Cb -0.01 -0.81 0.07 0.00 -1.51 0.00 0.00 72.50 70.24 2jmr s THR 147 CO 0.19 -0.08 0.98 0.00 -2.21 0.00 0.00 174.62 173.49 2jmr s ALA 148 N -0.81 -1.34 -0.05 11.08 0.00 -1.21 -4.58 121.76 124.86 2jmr s ALA 148 Ca -0.09 -0.51 0.00 0.00 0.00 0.00 0.00 51.96 51.37 2jmr s ALA 148 Cb -0.03 0.75 0.02 0.00 0.00 0.00 0.00 23.12 23.87 2jmr s ALA 148 CO 0.06 -1.04 -0.03 0.95 0.00 0.00 0.00 175.76 175.69 2jmr s THR 149 N -2.08 0.43 -0.89 0.00 -4.23 -0.16 -1.19 115.64 107.52 2jmr s THR 149 Ca 0.21 -0.03 -0.02 0.00 -1.18 0.00 0.00 61.69 60.67 2jmr s THR 149 Cb -0.03 -0.50 0.22 0.00 1.34 0.00 0.00 72.50 73.53 2jmr s THR 149 CO 0.07 0.21 0.78 0.72 -0.54 0.00 0.00 174.62 175.86 2jmr s PHE 150 N 1.13 3.89 -0.30 3.99 -0.71 -1.16 -0.91 117.98 123.91 2jmr s PHE 150 Ca -0.08 -3.02 -0.10 0.00 -1.04 0.00 0.00 56.93 52.69 2jmr s PHE 150 Cb -0.14 -3.25 -0.02 0.00 -1.21 0.00 0.00 43.02 38.41 2jmr s PHE 150 CO -0.01 -0.74 0.15 0.95 -1.34 0.00 0.00 175.22 174.23 2jmr s THR 151 N -1.32 4.71 0.57 -4.49 -4.23 -0.36 -4.74 115.64 105.78 2jmr s THR 151 Ca 0.27 -0.28 -0.14 0.00 -1.18 0.00 0.00 61.69 60.36 2jmr s THR 151 Cb -0.08 -3.35 -0.06 0.00 1.34 0.00 0.00 72.50 70.36 2jmr s THR 151 CO -0.12 0.13 1.01 -0.76 -0.54 0.00 0.00 174.62 174.34 2jmr s LEU 152 N 1.64 3.46 -0.25 4.79 2.01 -1.26 -0.99 118.68 128.07 2jmr s LEU 152 Ca 0.05 1.56 -0.01 0.00 0.01 0.00 0.00 54.13 55.74 2jmr s LEU 152 Cb -0.17 -4.50 0.08 0.00 0.01 0.00 0.00 46.19 41.61 2jmr s LEU 152 CO 0.07 -0.80 0.04 -1.61 1.01 0.00 0.00 176.35 175.05 2jmr s GLU 153 N -4.47 0.91 0.54 1.70 0.41 0.10 -2.46 118.70 115.43 2jmr s GLU 153 Ca 0.58 -0.82 -0.20 0.00 -0.41 0.00 0.00 54.97 54.12 2jmr s GLU 153 Cb -0.11 -2.20 -0.06 0.00 -1.78 0.00 0.00 34.13 29.98 2jmr s GLU 153 CO 0.40 -0.77 1.17 0.71 -0.49 0.00 0.00 175.26 176.28 2jmr s TYR 154 N 1.65 2.63 0.12 1.61 2.02 -1.26 -2.33 117.35 121.78 2jmr s TYR 154 Ca 0.02 1.53 -0.28 0.00 -0.37 0.00 0.00 57.07 57.97 2jmr s TYR 154 Cb -0.18 -3.38 -0.06 0.00 -0.40 0.00 0.00 41.96 37.94 2jmr s TYR 154 CO -0.14 -1.77 0.87 -1.14 -1.57 0.00 0.00 175.55 171.81 2jmr s GLN 155 N -3.15 4.64 -0.06 -0.62 -0.44 -1.26 -4.93 119.66 113.85 2jmr s GLN 155 Ca 0.72 1.30 -0.08 0.00 -2.50 0.00 0.00 55.36 54.80 2jmr s GLN 155 Cb -0.27 -3.34 0.02 0.00 -1.64 0.00 0.00 33.01 27.77 2jmr s GLN 155 CO 0.31 0.32 0.20 0.34 0.50 0.00 0.00 175.29 176.96 2jmr s ASP 156 N -0.33 -0.16 0.21 6.67 -1.08 -1.26 -5.01 116.67 115.71 2jmr s ASP 156 Ca 0.42 0.25 0.15 0.00 -0.52 0.00 0.00 52.55 52.85 2jmr s ASP 156 Cb -0.23 0.37 -0.02 0.00 -1.46 0.00 0.00 42.92 41.58 2jmr s ASP 156 CO 0.28 -0.16 1.27 -0.55 0.52 0.00 0.00 175.17 176.52 2jmr h ASN 157 N 5.34 0.00 -3.80 -0.34 -1.07 -2.01 -3.47 115.58 110.24 2jmr h ASN 157 Ca -0.27 0.00 -0.48 0.00 0.07 0.00 0.00 56.30 55.62 2jmr h ASN 157 Cb 1.19 0.00 -0.02 0.00 -2.07 0.00 0.00 38.32 37.42 2jmr h ASN 157 CO 0.39 0.57 0.33 -2.28 0.07 0.00 0.00 177.43 176.51 2jmr s HIS 158 N -2.92 3.84 0.07 4.14 2.46 -1.26 -4.97 115.29 116.64 2jmr s HIS 158 Ca 0.02 1.83 -0.34 0.00 0.47 0.00 0.00 55.06 57.03 2jmr s HIS 158 Cb 0.08 -2.93 -0.14 0.00 -0.13 0.00 0.00 32.58 29.46 2jmr s HIS 158 CO 0.77 0.34 1.65 0.72 -2.47 0.00 0.00 174.74 175.75 2jmr n HIS 159 N 1.03 2.22 -0.71 3.88 8.25 -1.26 -4.88 115.22 123.74 2jmr n HIS 159 Ca -0.00 0.23 -0.28 0.00 -0.26 0.00 0.00 57.72 57.40 2jmr n HIS 159 Cb 0.49 -2.56 0.24 0.00 1.12 0.00 0.00 29.99 29.28 2jmr n HIS 159 CO 0.00 0.00 0.00 -3.38 0.64 0.00 0.00 176.34 173.60 2jmr s HIS 160 N 1.89 1.50 0.00 4.41 -3.43 -1.26 -5.01 115.29 113.40 2jmr s HIS 160 Ca 0.84 1.07 0.00 0.00 -0.80 0.00 0.00 55.06 56.17 2jmr s HIS 160 Cb -0.72 -3.14 0.00 0.00 -1.43 0.00 0.00 32.58 27.29 2jmr s HIS 160 CO 0.44 -3.70 0.60 0.72 -2.00 0.00 0.00 174.74 170.80 2jmr n HIS 161 N -4.78 0.00 -3.14 0.38 8.25 -1.26 -4.98 115.22 109.70 2jmr n HIS 161 Ca 0.03 -0.13 -0.22 0.00 -0.26 0.00 0.00 57.72 57.14 2jmr n HIS 161 Cb 0.55 -0.01 0.01 0.00 1.12 0.00 0.00 29.99 31.66 2jmr n HIS 161 CO 0.00 0.00 0.00 1.58 0.64 0.00 0.00 176.34 178.56 2jmr n HIS 162 N -0.13 -1.81 -2.32 4.41 -0.00 -1.26 -4.95 115.22 109.16 2jmr n HIS 162 Ca 0.00 0.44 -0.43 0.00 0.46 0.00 0.00 57.72 58.19 2jmr n HIS 162 Cb 0.10 -3.50 -0.02 0.00 -0.12 0.00 0.00 29.99 26.45 2jmr n HIS 162 CO 0.00 0.00 0.00 -1.01 0.46 0.00 0.00 176.34 175.79 2jmr s HIS 163 N -2.99 2.49 1.03 1.57 4.02 -1.26 -5.02 115.29 115.13 2jmr s HIS 163 Ca 0.32 0.76 -0.15 0.00 1.02 0.00 0.00 55.06 57.01 2jmr s HIS 163 Cb -0.16 -3.95 0.20 0.00 -1.02 0.00 0.00 32.58 27.66 2jmr s HIS 163 CO 0.39 -2.10 1.14 -1.59 1.02 0.00 0.00 174.74 173.60 2jmr s LYS 164 N 4.36 0.18 0.00 1.40 -2.85 -1.26 -4.89 119.74 116.67 2jmr s LYS 164 Ca 0.61 0.17 0.00 0.00 -1.00 0.00 0.00 55.97 55.76 2jmr s LYS 164 Cb -0.19 -1.74 0.00 0.00 -2.06 0.00 0.00 37.83 33.84 2jmr s LYS 164 CO 0.25 -2.83 0.00 0.00 0.10 0.00 0.00 175.35 172.88 2jmr n GLN 165 N -4.18 -1.23 -1.53 1.78 10.64 -1.03 -5.00 117.38 116.83 2jmr n GLN 165 Ca 0.09 0.00 -0.43 0.00 -1.83 0.00 0.00 57.00 54.83 2jmr n GLN 165 Cb 0.59 0.00 0.00 0.00 -0.86 0.00 0.00 30.24 29.97 2jmr n GLN 165 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.06 175.23 2jmr n ALA 166 N -3.00 -0.77 -1.85 2.61 0.00 -1.26 -4.88 120.51 111.36 2jmr n ALA 166 Ca 0.00 0.25 -0.29 0.00 0.00 0.00 0.00 53.44 53.40 2jmr n ALA 166 Cb 0.00 -1.92 -0.05 0.00 0.00 0.00 0.00 19.45 17.49 2jmr n ALA 166 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 2jmr s ASP 167 N -0.81 4.76 -1.33 0.00 1.01 -1.26 -4.84 116.67 114.20 2jmr s ASP 167 Ca 0.62 0.10 -0.16 0.00 0.71 0.00 0.00 52.55 53.83 2jmr s ASP 167 Cb -0.63 -2.54 0.09 0.00 1.01 0.00 0.00 42.92 40.85 2jmr s ASP 167 CO 0.58 -2.93 1.83 -1.54 0.21 0.00 0.00 175.17 173.32 2jmr n SER 168 N 15.08 4.72 -4.69 0.27 3.41 -1.26 -4.64 113.62 126.50 2jmr n SER 168 Ca 0.36 -2.93 -0.44 0.00 -0.26 0.00 0.00 58.87 55.60 2jmr n SER 168 Cb 0.49 -1.67 -0.03 0.00 -0.26 0.00 0.00 64.21 62.74 2jmr n SER 168 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 175.04 175.29 2jmr n THR 169 N 5.51 0.55 -4.63 6.66 -1.04 -1.26 -2.99 114.28 117.08 2jmr n THR 169 Ca 0.47 -0.14 -0.34 0.00 -2.04 0.00 0.00 64.05 62.01 2jmr n THR 169 Cb 0.43 -1.66 -0.12 0.00 -1.82 0.00 0.00 70.33 67.16 2jmr n THR 169 CO 0.00 0.00 0.00 -0.51 -0.64 0.00 0.00 175.07 173.92 2jmr s ILE 170 N 0.41 3.63 -0.34 12.58 -1.16 -0.34 -3.06 121.20 132.92 2jmr s ILE 170 Ca 0.71 -0.50 -0.01 0.00 -0.51 0.00 0.00 60.65 60.35 2jmr s ILE 170 Cb -0.61 -2.50 0.13 0.00 0.61 0.00 0.00 42.46 40.10 2jmr s ILE 170 CO 0.44 0.58 0.21 -0.89 -2.81 0.00 0.00 174.94 172.46 2jmr s THR 171 N -0.52 0.02 0.06 4.00 2.01 -1.26 -3.31 115.64 116.64 2jmr s THR 171 Ca 0.08 -1.37 -0.29 0.00 0.31 0.00 0.00 61.69 60.42 2jmr s THR 171 Cb -0.12 -1.03 -0.05 0.00 0.01 0.00 0.00 72.50 71.31 2jmr s THR 171 CO 0.02 -0.87 0.93 -0.63 -0.69 0.00 0.00 174.62 173.38 2jmr s ILE 172 N 1.40 4.65 0.19 1.82 1.01 -1.26 -2.29 121.20 126.72 2jmr s ILE 172 Ca 0.15 1.99 0.07 0.00 0.00 0.00 0.00 60.65 62.87 2jmr s ILE 172 Cb -0.20 -4.29 -0.04 0.00 0.01 0.00 0.00 42.46 37.94 2jmr s ILE 172 CO -0.10 0.28 0.05 -0.13 0.00 0.00 0.00 174.94 175.04 2jmr s ARG 173 N 0.31 2.55 0.00 2.79 1.81 0.16 -4.20 118.95 122.37 2jmr s ARG 173 Ca 0.47 -1.09 0.00 0.00 -1.72 0.00 0.00 55.73 53.39 2jmr s ARG 173 Cb -0.22 -2.41 0.00 0.00 -0.45 0.00 0.00 34.95 31.87 2jmr s ARG 173 CO 0.28 0.44 0.00 0.41 -0.68 0.00 0.00 175.30 175.75 2jmr n GLY 174 N -0.40 -0.10 3.23 -3.53 0.00 -1.25 -0.89 105.19 102.24 2jmr n GLY 174 Ca -0.09 -1.20 -0.13 0.00 0.00 0.00 0.00 46.02 44.60 2jmr n GLY 174 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 2jmr s TYR 175 N -2.00 -0.32 -0.40 1.61 6.14 -1.26 -0.79 117.35 120.33 2jmr s TYR 175 Ca 0.00 0.74 -0.17 0.00 0.64 0.00 0.00 57.07 58.27 2jmr s TYR 175 Cb 0.00 0.12 0.01 0.00 0.42 0.00 0.00 41.96 42.51 2jmr s TYR 175 CO 0.00 -0.24 0.45 0.08 0.64 0.00 0.00 175.55 176.48 2jmr s VAL 176 N -0.24 5.07 0.94 3.14 1.01 0.93 -0.28 120.40 130.96 2jmr s VAL 176 Ca -0.04 -0.12 -0.15 0.00 0.00 0.00 0.00 61.98 61.67 2jmr s VAL 176 Cb -0.03 -4.00 0.17 0.00 0.00 0.00 0.00 36.38 32.52 2jmr s VAL 176 CO 0.02 -0.34 1.24 -0.13 0.00 0.00 0.00 175.10 175.88 2jmr s ARG 177 N 2.21 0.89 -0.10 2.72 1.81 -1.25 -2.66 118.95 122.57 2jmr s ARG 177 Ca 0.14 -0.14 0.14 0.00 -1.72 0.00 0.00 55.73 54.15 2jmr s ARG 177 Cb -0.16 -1.85 0.22 0.00 -0.45 0.00 0.00 34.95 32.71 2jmr s ARG 177 CO 0.14 -2.29 1.11 -0.40 -0.68 0.00 0.00 175.30 173.18 2jmr n ASP 178 N -3.74 2.22 0.00 0.23 5.68 -1.26 -0.36 116.55 119.31 2jmr n ASP 178 Ca 0.12 -2.82 0.01 0.00 -0.50 0.00 0.00 54.79 51.60 2jmr n ASP 178 Cb 0.60 -0.33 0.05 0.00 -1.14 0.00 0.00 41.12 40.30 2jmr n ASP 178 CO 0.00 0.00 0.00 -3.20 -1.33 0.00 0.00 177.20 172.67