#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jmr n ALA 2 N 0.00 -0.18 -0.90 3.17 0.00 -1.26 -5.15 120.51 116.20 2jmr n ALA 2 Ca 0.00 -0.11 -0.29 0.00 0.00 0.00 0.00 53.44 53.04 2jmr n ALA 2 Cb 0.00 0.08 0.23 0.00 0.00 0.00 0.00 19.45 19.76 2jmr n ALA 2 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 2jmr s ASP 3 N -1.19 1.19 -0.13 0.00 -1.08 -1.26 -5.02 116.67 109.17 2jmr s ASP 3 Ca 0.02 1.03 -0.12 0.00 -0.52 0.00 0.00 52.55 52.96 2jmr s ASP 3 Cb -0.00 -1.56 0.04 0.00 -1.46 0.00 0.00 42.92 39.93 2jmr s ASP 3 CO 0.01 -4.01 0.35 -0.44 0.52 0.00 0.00 175.17 171.60 2jmr s SER 4 N -3.34 -0.37 0.63 -0.34 0.01 -1.26 -5.04 113.70 103.99 2jmr s SER 4 Ca 0.68 0.71 0.34 0.00 1.31 0.00 0.00 55.95 58.99 2jmr s SER 4 Cb -0.17 0.71 1.90 0.00 0.21 0.00 0.00 66.02 68.67 2jmr s SER 4 CO 0.59 -0.13 2.17 0.74 0.41 0.00 0.00 173.24 177.02 2jmr h THR 5 N 4.67 0.26 -0.53 1.44 2.02 -1.98 -0.63 112.91 118.15 2jmr h THR 5 Ca -0.27 0.00 0.00 0.00 0.77 0.00 0.00 66.41 66.91 2jmr h THR 5 Cb 1.18 0.87 0.00 0.00 -1.74 0.00 0.00 68.15 68.47 2jmr h THR 5 CO 0.29 0.00 0.00 -0.38 0.37 0.00 0.00 175.52 175.80 2jmr n ILE 6 N -3.43 1.21 -0.37 3.11 2.08 -1.26 -4.97 119.36 115.72 2jmr n ILE 6 Ca -0.01 -1.09 0.00 0.00 0.56 0.00 0.00 62.75 62.21 2jmr n ILE 6 Cb 0.23 0.40 0.00 0.00 -0.75 0.00 0.00 39.64 39.52 2jmr n ILE 6 CO 0.00 0.00 0.00 1.07 0.56 0.00 0.00 176.55 178.18 2jmr n THR 7 N 0.96 0.00 -1.97 1.39 5.66 -0.24 -4.94 114.28 115.13 2jmr n THR 7 Ca 0.19 0.00 -0.42 0.00 -3.05 0.00 0.00 64.05 60.77 2jmr n THR 7 Cb 0.60 -0.34 -0.03 0.00 -1.55 0.00 0.00 70.33 69.01 2jmr n THR 7 CO 0.00 0.00 0.00 -0.63 -3.05 0.00 0.00 175.07 171.39 2jmr s ILE 8 N -1.11 3.37 -0.16 1.09 -1.09 -1.26 -4.87 121.20 117.17 2jmr s ILE 8 Ca 0.00 0.61 0.15 0.00 -2.23 0.00 0.00 60.65 59.18 2jmr s ILE 8 Cb 0.00 -3.39 -0.24 0.00 -1.58 0.00 0.00 42.46 37.25 2jmr s ILE 8 CO 0.00 -0.03 0.20 0.54 -1.23 0.00 0.00 174.94 174.42 2jmr n ARG 9 N 6.53 0.67 -5.04 2.79 1.74 -1.26 -4.60 116.66 117.48 2jmr n ARG 9 Ca 0.17 0.09 -0.29 0.00 -0.77 0.00 0.00 57.85 57.04 2jmr n ARG 9 Cb 0.42 -1.59 -0.16 0.00 -1.02 0.00 0.00 32.46 30.10 2jmr n ARG 9 CO 0.00 0.00 0.00 0.20 -1.52 0.00 0.00 177.63 176.31 2jmr s GLY 10 N -5.47 1.12 -0.23 -0.13 0.00 -1.26 -5.09 107.32 96.26 2jmr s GLY 10 Ca -0.11 -0.85 -0.15 0.00 0.00 0.00 0.00 44.72 43.61 2jmr s GLY 10 CO 0.81 -0.43 0.57 -2.52 0.00 0.00 0.00 173.10 171.54 2jmr s TYR 11 N 0.06 -0.82 0.40 1.90 -0.85 -1.26 -4.83 117.35 111.94 2jmr s TYR 11 Ca -0.07 1.73 0.19 0.00 -0.52 0.00 0.00 57.07 58.41 2jmr s TYR 11 Cb -0.14 0.43 1.08 0.00 0.38 0.00 0.00 41.96 43.71 2jmr s TYR 11 CO 0.04 -0.42 1.96 -0.39 -1.52 0.00 0.00 175.55 175.22 2jmr h VAL 12 N 5.02 0.92 -2.54 -3.49 -1.51 -1.88 -3.46 116.25 109.32 2jmr h VAL 12 Ca -0.32 -0.81 0.06 0.00 -1.23 0.00 0.00 66.70 64.40 2jmr h VAL 12 Cb 1.20 1.47 -0.14 0.00 -2.13 0.00 0.00 31.29 31.69 2jmr h VAL 12 CO 0.20 0.21 0.38 -0.60 -1.23 0.00 0.00 177.57 176.54 2jmr s ARG 13 N -4.28 0.99 -0.18 5.19 3.00 -1.26 -5.05 118.95 117.37 2jmr s ARG 13 Ca -0.03 -0.36 -0.14 0.00 -1.00 0.00 0.00 55.73 54.20 2jmr s ARG 13 Cb 0.14 0.46 -0.08 0.00 0.00 0.00 0.00 34.95 35.47 2jmr s ARG 13 CO 0.66 -0.43 -0.17 -0.25 0.00 0.00 0.00 175.30 175.11 2jmr n ASP 14 N -0.28 1.87 -2.39 -2.12 9.92 -1.26 -3.57 116.55 118.72 2jmr n ASP 14 Ca -0.12 0.49 -0.13 0.00 -0.53 0.00 0.00 54.79 54.50 2jmr n ASP 14 Cb 0.63 -0.85 -0.10 0.00 -0.64 0.00 0.00 41.12 40.16 2jmr n ASP 14 CO 0.00 0.00 0.00 0.59 0.13 0.00 0.00 177.20 177.92 2jmr n ASN 15 N -4.51 4.34 0.00 -2.24 3.02 -1.12 -3.91 115.26 110.85 2jmr n ASN 15 Ca -0.18 -2.25 0.00 0.00 -0.03 0.00 0.00 54.58 52.12 2jmr n ASN 15 Cb 0.47 -1.07 0.00 0.00 -0.61 0.00 0.00 39.78 38.56 2jmr n ASN 15 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2jmr n GLY 16 N 2.88 2.96 2.93 7.41 0.00 -1.26 -4.78 105.19 115.34 2jmr n GLY 16 Ca 0.37 -0.53 -0.14 0.00 0.00 0.00 0.00 46.02 45.72 2jmr n GLY 16 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2jmr s SER 18 N 1.17 5.69 0.51 0.00 1.04 -1.11 -4.94 113.70 116.07 2jmr s SER 18 Ca -0.09 1.84 -0.21 0.00 0.48 0.00 0.00 55.95 57.98 2jmr s SER 18 Cb -0.11 -2.54 -0.07 0.00 0.10 0.00 0.00 66.02 63.41 2jmr s SER 18 CO -0.06 -1.23 1.13 0.54 0.98 0.00 0.00 173.24 174.60 2jmr s VAL 19 N -2.44 3.21 0.85 5.02 0.11 -1.26 -1.59 120.40 124.30 2jmr s VAL 19 Ca 0.64 0.79 -0.11 0.00 -2.93 0.00 0.00 61.98 60.37 2jmr s VAL 19 Cb -0.17 -3.35 0.10 0.00 -1.53 0.00 0.00 36.38 31.44 2jmr s VAL 19 CO 0.38 -0.12 1.09 0.00 -3.33 0.00 0.00 175.10 173.12 2jmr s ALA 20 N -1.73 1.79 0.51 1.54 0.00 -0.70 -4.62 121.76 118.54 2jmr s ALA 20 Ca 0.70 0.08 0.23 0.00 0.00 0.00 0.00 51.96 52.96 2jmr s ALA 20 Cb -0.24 -3.23 1.31 0.00 0.00 0.00 0.00 23.12 20.96 2jmr s ALA 20 CO 0.28 -2.16 1.98 0.00 0.00 0.00 0.00 175.76 175.86 2jmr h ALA 21 N -1.41 2.40 -0.27 0.00 0.00 -1.91 -0.47 119.26 117.59 2jmr h ALA 21 Ca -0.47 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.42 2jmr h ALA 21 Cb 1.26 0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.07 2jmr h ALA 21 CO 0.53 -0.56 0.00 -0.85 0.00 0.00 0.00 179.25 178.37 2jmr n GLU 22 N -4.40 2.40 -0.83 0.00 0.28 -1.26 -3.89 120.64 112.93 2jmr n GLU 22 Ca 0.10 -1.30 -0.01 0.00 -0.16 0.00 0.00 57.16 55.80 2jmr n GLU 22 Cb 0.58 -1.65 -0.01 0.00 1.43 0.00 0.00 31.44 31.78 2jmr n GLU 22 CO 0.00 0.00 0.00 0.43 -0.16 0.00 0.00 177.13 177.40 2jmr n SER 23 N 0.32 0.02 -0.06 -1.84 7.64 -0.21 -4.90 113.62 114.58 2jmr n SER 23 Ca 0.12 -1.73 -0.07 0.00 1.01 0.00 0.00 58.87 58.20 2jmr n SER 23 Cb 0.54 -0.06 -0.10 0.00 -1.01 0.00 0.00 64.21 63.58 2jmr n SER 23 CO 0.00 0.00 0.00 0.41 -3.01 0.00 0.00 175.04 172.44 2jmr n THR 24 N 0.11 0.88 -3.12 0.44 -1.04 -1.03 -4.69 114.28 105.83 2jmr n THR 24 Ca -0.05 -0.53 0.03 0.00 -2.04 0.00 0.00 64.05 61.46 2jmr n THR 24 Cb 0.75 -0.68 -0.00 0.00 -1.82 0.00 0.00 70.33 68.57 2jmr n THR 24 CO 0.00 0.00 0.00 0.21 -0.64 0.00 0.00 175.07 174.64 2jmr s ASN 25 N -4.63 -1.28 0.17 8.00 3.84 -1.26 -3.15 114.94 116.63 2jmr s ASN 25 Ca -0.07 -0.24 -0.03 0.00 0.21 0.00 0.00 52.86 52.73 2jmr s ASN 25 Cb 0.04 1.71 -0.03 0.00 -0.55 0.00 0.00 41.25 42.41 2jmr s ASN 25 CO 0.52 -0.19 0.14 0.72 -2.79 0.00 0.00 177.10 175.50 2jmr s PHE 26 N 2.37 0.86 -0.06 0.43 -0.71 -1.26 -4.98 117.98 114.63 2jmr s PHE 26 Ca 0.15 -1.18 -0.00 0.00 -1.04 0.00 0.00 56.93 54.86 2jmr s PHE 26 Cb -0.05 -0.40 -0.03 0.00 -1.21 0.00 0.00 43.02 41.33 2jmr s PHE 26 CO -0.17 -0.62 -0.00 0.99 -1.34 0.00 0.00 175.22 174.07 2jmr s THR 27 N -4.07 4.20 -0.33 -4.49 2.01 -1.26 -3.64 115.64 108.05 2jmr s THR 27 Ca 0.28 -0.39 0.03 0.00 0.31 0.00 0.00 61.69 61.93 2jmr s THR 27 Cb 0.06 -2.80 0.10 0.00 0.01 0.00 0.00 72.50 69.87 2jmr s THR 27 CO 0.05 0.53 0.06 -0.69 -0.69 0.00 0.00 174.62 173.88 2jmr s VAL 28 N -0.95 2.04 0.24 3.82 1.01 -0.16 -5.03 120.40 121.37 2jmr s VAL 28 Ca 0.15 -2.18 -0.21 0.00 0.00 0.00 0.00 61.98 59.74 2jmr s VAL 28 Cb -0.11 -2.51 -0.09 0.00 0.00 0.00 0.00 36.38 33.67 2jmr s VAL 28 CO 0.05 -0.61 0.78 -0.62 0.00 0.00 0.00 175.10 174.70 2jmr s ASP 29 N 1.03 7.14 -0.13 3.32 -1.08 -1.26 -1.74 116.67 123.95 2jmr s ASP 29 Ca 0.11 1.53 -0.10 0.00 -0.52 0.00 0.00 52.55 53.56 2jmr s ASP 29 Cb -0.19 -2.46 -0.06 0.00 -1.46 0.00 0.00 42.92 38.75 2jmr s ASP 29 CO -0.11 0.02 -0.22 0.18 0.52 0.00 0.00 175.17 175.56 2jmr n LEU 30 N 0.74 1.42 0.00 -1.34 7.99 -1.26 -4.95 117.00 119.59 2jmr n LEU 30 Ca -0.02 0.23 0.00 0.00 -0.01 0.00 0.00 56.01 56.22 2jmr n LEU 30 Cb 0.51 -0.55 0.00 0.00 -0.11 0.00 0.00 43.42 43.27 2jmr n LEU 30 CO 0.44 -0.02 0.00 0.23 -1.51 0.00 0.00 177.39 176.53 2jmr n MET 31 N -3.93 -2.38 -4.32 3.23 2.81 -1.26 -4.99 117.12 106.27 2jmr n MET 31 Ca -0.23 0.00 -0.34 0.00 -1.81 0.00 0.00 57.70 55.33 2jmr n MET 31 Cb 0.55 0.00 -0.09 0.00 -0.71 0.00 0.00 33.22 32.97 2jmr n MET 31 CO 0.00 0.00 0.00 -2.00 1.51 0.00 0.00 175.97 175.48 2jmr s GLU 32 N -1.39 2.91 0.01 0.03 2.12 -1.26 -4.35 118.70 116.76 2jmr s GLU 32 Ca 0.00 -0.49 -0.01 0.00 0.36 0.00 0.00 54.97 54.83 2jmr s GLU 32 Cb 0.00 -2.75 -0.04 0.00 0.26 0.00 0.00 34.13 31.60 2jmr s GLU 32 CO 0.00 0.67 0.11 -0.80 -0.54 0.00 0.00 175.26 174.70 2jmr s ASN 33 N -1.22 5.87 0.26 -1.70 -0.87 -0.16 -4.95 114.94 112.17 2jmr s ASN 33 Ca 0.16 0.18 -0.08 0.00 -1.57 0.00 0.00 52.86 51.55 2jmr s ASN 33 Cb -0.11 -1.72 -0.07 0.00 -0.02 0.00 0.00 41.25 39.33 2jmr s ASN 33 CO 0.06 0.25 0.57 0.00 -2.57 0.00 0.00 177.10 175.42 2jmr s ALA 34 N -1.27 3.56 0.18 0.60 0.00 -1.26 -0.33 121.76 123.24 2jmr s ALA 34 Ca 0.25 -0.35 -0.13 0.00 0.00 0.00 0.00 51.96 51.73 2jmr s ALA 34 Cb -0.12 -2.42 0.10 0.00 0.00 0.00 0.00 23.12 20.67 2jmr s ALA 34 CO 0.17 0.38 1.82 0.00 0.00 0.00 0.00 175.76 178.13 2jmr h ALA 35 N 2.16 0.68 -0.02 0.00 0.00 -0.17 -3.34 119.26 118.57 2jmr h ALA 35 Ca -0.47 -0.02 -0.15 0.00 0.00 0.00 0.00 54.91 54.28 2jmr h ALA 35 Cb 1.18 -0.17 -0.05 0.00 0.00 0.00 0.00 17.79 18.74 2jmr h ALA 35 CO 0.68 0.05 -0.24 0.36 0.00 0.00 0.00 179.25 180.10 2jmr n LYS 36 N -4.77 1.71 0.00 0.00 2.85 -1.26 -1.10 118.16 115.60 2jmr n LYS 36 Ca 0.04 -0.75 0.00 0.00 -1.05 0.00 0.00 58.31 56.54 2jmr n LYS 36 Cb 0.06 -1.70 0.00 0.00 -0.65 0.00 0.00 35.03 32.74 2jmr n LYS 36 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 2jmr n GLN 37 N 2.12 2.29 -1.69 -1.58 10.64 -1.25 -4.97 117.38 122.93 2jmr n GLN 37 Ca 0.30 0.00 -0.40 0.00 -1.83 0.00 0.00 57.00 55.07 2jmr n GLN 37 Cb 0.78 -0.81 -0.01 0.00 -0.86 0.00 0.00 30.24 29.33 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 -1.49 2.68 -1.08 2.61 3.72 -0.25 -4.53 117.46 119.11 2jmr n PHE 38 Ca 0.00 -2.96 0.06 0.00 -0.05 0.00 0.00 57.45 54.50 2jmr n PHE 38 Cb 0.31 -2.23 0.24 0.00 -0.94 0.00 0.00 39.48 36.86 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 3.33 3.52 -3.60 4.37 0.23 -1.26 -4.46 115.26 117.40 2jmr n ASN 39 Ca 0.66 -3.16 0.01 0.00 -0.53 0.00 0.00 54.58 51.56 2jmr n ASN 39 Cb 0.27 -0.56 -0.01 0.00 -2.08 0.00 0.00 39.78 37.41 2jmr n ASN 39 CO 0.00 0.00 0.00 0.54 -0.93 0.00 0.00 177.26 176.87 2jmr s ASN 40 N -2.11 -0.04 0.21 0.53 4.22 -1.26 -4.91 114.94 111.57 2jmr s ASN 40 Ca 0.42 -0.05 0.23 0.00 -2.14 0.00 0.00 52.86 51.32 2jmr s ASN 40 Cb 0.35 0.08 0.11 0.00 1.28 0.00 0.00 41.25 43.07 2jmr s ASN 40 CO 0.07 -0.14 1.16 0.40 -2.04 0.00 0.00 177.10 176.54 2jmr h ILE 41 N 2.00 0.00 -0.12 0.54 5.03 -1.86 -3.23 117.51 119.87 2jmr h ILE 41 Ca -0.24 -0.88 0.00 0.00 -0.12 0.00 0.00 64.86 63.62 2jmr h ILE 41 Cb 1.18 1.45 0.00 0.00 -3.03 0.00 0.00 36.82 36.42 2jmr h ILE 41 CO 0.26 0.00 0.00 0.61 -0.68 0.00 0.00 178.15 178.34 2jmr n GLY 42 N 1.21 -0.28 3.32 5.37 0.00 -1.26 -4.53 105.19 109.02 2jmr n GLY 42 Ca 0.01 -0.24 -0.38 0.00 0.00 0.00 0.00 46.02 45.42 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 -0.13 3.09 -2.53 4.61 0.00 -1.22 -4.90 120.51 119.44 2jmr n ALA 43 Ca 0.11 -3.38 -0.41 0.00 0.00 0.00 0.00 53.44 49.76 2jmr n ALA 43 Cb 0.18 -3.56 -0.03 0.00 0.00 0.00 0.00 19.45 16.04 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 6.87 3.73 0.96 0.00 -4.23 -1.26 -3.42 115.64 118.29 2jmr s THR 44 Ca 0.59 0.22 -0.12 0.00 -1.18 0.00 0.00 61.69 61.21 2jmr s THR 44 Cb 0.07 -4.90 0.12 0.00 1.34 0.00 0.00 72.50 69.13 2jmr s THR 44 CO 0.09 -1.83 0.82 0.35 -0.54 0.00 0.00 174.62 173.51 2jmr n THR 45 N 6.50 0.00 -1.90 3.99 -2.24 -1.26 -4.83 114.28 114.55 2jmr n THR 45 Ca 0.08 -0.12 -0.25 0.00 -2.27 0.00 0.00 64.05 61.50 2jmr n THR 45 Cb 0.49 -0.84 -0.05 0.00 -2.10 0.00 0.00 70.33 67.83 2jmr n THR 45 CO 0.00 0.00 0.00 -2.16 -0.57 0.00 0.00 175.07 172.34 2jmr s PRO 46 N -4.20 2.28 -0.30 -0.78 0.04 -1.26 -4.88 135.00 125.89 2jmr s PRO 46 Ca 0.63 0.08 -0.38 0.00 0.04 0.00 0.00 61.00 61.37 2jmr s PRO 46 Cb -0.22 -4.90 -0.14 0.00 0.04 0.00 0.00 34.50 29.28 2jmr s PRO 46 CO 0.62 -3.61 1.93 1.33 0.04 0.00 0.00 177.00 177.32 2jmr n VAL 47 N 8.07 0.28 -2.61 -0.36 0.24 -1.26 -4.92 118.33 117.76 2jmr n VAL 47 Ca 0.40 -0.12 -0.38 0.00 -2.04 0.00 0.00 64.34 62.20 2jmr n VAL 47 Cb 0.47 -1.38 -0.05 0.00 -1.47 0.00 0.00 33.84 31.41 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 5.01 3.83 0.17 3.34 0.11 -0.21 -4.82 120.40 127.82 2jmr s VAL 48 Ca 1.03 1.56 -0.31 0.00 -2.93 0.00 0.00 61.98 61.33 2jmr s VAL 48 Cb -1.00 -3.89 -0.10 0.00 -1.53 0.00 0.00 36.38 29.87 2jmr s VAL 48 CO 0.59 0.16 1.51 -2.16 -3.33 0.00 0.00 175.10 171.88 2jmr s PRO 49 N -2.03 4.24 0.23 1.54 0.04 -1.26 -1.89 135.00 135.87 2jmr s PRO 49 Ca 0.51 2.29 0.03 0.00 0.04 0.00 0.00 61.00 63.87 2jmr s PRO 49 Cb -0.24 -3.17 -0.05 0.00 0.04 0.00 0.00 34.50 31.08 2jmr s PRO 49 CO 0.30 -0.55 0.02 0.12 0.04 0.00 0.00 177.00 176.93 2jmr s PHE 50 N 0.98 1.50 0.19 0.56 5.36 -0.06 -4.87 117.98 121.63 2jmr s PHE 50 Ca 0.67 -1.00 -0.22 0.00 -0.96 0.00 0.00 56.93 55.43 2jmr s PHE 50 Cb -0.42 -0.87 0.06 0.00 -0.34 0.00 0.00 43.02 41.44 2jmr s PHE 50 CO 0.33 -0.13 0.62 -0.98 -1.46 0.00 0.00 175.22 173.59 2jmr s ARG 51 N -3.91 1.39 -0.16 10.12 1.04 -1.26 -0.20 118.95 125.97 2jmr s ARG 51 Ca 0.30 -0.61 -0.03 0.00 -1.04 0.00 0.00 55.73 54.35 2jmr s ARG 51 Cb 0.06 0.59 -0.02 0.00 -2.04 0.00 0.00 34.95 33.54 2jmr s ARG 51 CO 0.09 -0.61 -0.07 0.42 -0.04 0.00 0.00 175.30 175.09 2jmr s ILE 52 N -3.79 3.56 -0.32 4.99 1.01 -1.17 -4.97 121.20 120.51 2jmr s ILE 52 Ca 0.04 -0.47 -0.18 0.00 0.00 0.00 0.00 60.65 60.03 2jmr s ILE 52 Cb -0.02 -2.55 -0.01 0.00 0.01 0.00 0.00 42.46 39.89 2jmr s ILE 52 CO -0.08 0.49 0.52 -0.22 0.00 0.00 0.00 174.94 175.64 2jmr s LEU 53 N 0.55 4.23 -0.39 2.97 0.20 -1.26 -3.41 118.68 121.57 2jmr s LEU 53 Ca -0.05 0.16 -0.12 0.00 0.69 0.00 0.00 54.13 54.81 2jmr s LEU 53 Cb -0.15 -2.61 0.03 0.00 -0.43 0.00 0.00 46.19 43.02 2jmr s LEU 53 CO 0.03 -0.42 0.24 -0.76 -0.29 0.00 0.00 176.35 175.16 2jmr s LEU 54 N 2.38 4.89 0.13 -0.68 2.01 0.01 -1.73 118.68 125.69 2jmr s LEU 54 Ca 0.20 -0.98 -0.14 0.00 0.01 0.00 0.00 54.13 53.22 2jmr s LEU 54 Cb -0.15 -2.07 0.02 0.00 0.01 0.00 0.00 46.19 43.99 2jmr s LEU 54 CO 0.12 -0.42 0.36 -0.94 1.01 0.00 0.00 176.35 176.48 2jmr s SER 55 N 1.61 -0.14 1.37 2.29 1.04 -0.62 -1.92 113.70 117.33 2jmr s SER 55 Ca 0.03 -0.45 -0.20 0.00 0.48 0.00 0.00 55.95 55.81 2jmr s SER 55 Cb -0.19 0.45 0.35 0.00 0.10 0.00 0.00 66.02 66.73 2jmr s SER 55 CO 0.08 -0.85 0.94 -2.16 0.98 0.00 0.00 173.24 172.23 2jmr s PRO 56 N -3.84 -2.53 0.19 4.02 0.04 -1.26 -3.49 135.00 128.14 2jmr s PRO 56 Ca 0.05 0.37 0.02 0.00 0.04 0.00 0.00 61.00 61.48 2jmr s PRO 56 Cb 0.02 -1.40 -0.05 0.00 0.04 0.00 0.00 34.50 33.11 2jmr s PRO 56 CO -0.10 -4.67 -0.00 0.00 0.04 0.00 0.00 177.00 172.27 2jmr n GLY 58 N -0.31 0.10 0.16 0.00 0.00 -1.23 -3.63 105.19 100.29 2jmr n GLY 58 Ca -0.06 -1.92 0.04 0.00 0.00 0.00 0.00 46.02 44.08 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 -3.11 1.00 -3.62 1.61 0.23 -1.25 -0.78 115.26 109.33 2jmr n ASN 59 Ca 0.11 -1.00 -0.29 0.00 -0.53 0.00 0.00 54.58 52.87 2jmr n ASN 59 Cb 0.38 0.53 -0.12 0.00 -2.08 0.00 0.00 39.78 38.49 2jmr n ASN 59 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 2jmr s ALA 60 N -1.25 1.82 0.07 -2.53 0.00 -1.25 -5.00 121.76 113.61 2jmr s ALA 60 Ca 0.06 -2.44 -0.10 0.00 0.00 0.00 0.00 51.96 49.48 2jmr s ALA 60 Cb 0.06 -1.79 0.01 0.00 0.00 0.00 0.00 23.12 21.40 2jmr s ALA 60 CO 0.22 -2.07 0.22 0.54 0.00 0.00 0.00 175.76 174.67 2jmr s VAL 61 N 0.43 0.12 0.00 0.00 0.11 -1.26 -2.78 120.40 117.01 2jmr s VAL 61 Ca 0.20 -0.96 0.00 0.00 -2.93 0.00 0.00 61.98 58.29 2jmr s VAL 61 Cb -0.20 -1.12 0.00 0.00 -1.53 0.00 0.00 36.38 33.53 2jmr s VAL 61 CO -0.03 -0.53 0.00 -1.20 -3.33 0.00 0.00 175.10 170.01 2jmr n SER 62 N 0.28 0.00 -0.11 3.54 7.64 -1.26 -4.97 113.62 118.74 2jmr n SER 62 Ca -0.17 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.71 2jmr n SER 62 Cb 0.61 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.81 2jmr n SER 62 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2jmr n ALA 63 N -1.79 0.00 -2.62 -0.43 0.00 -1.26 -1.51 120.51 112.89 2jmr n ALA 63 Ca 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 53.44 53.35 2jmr n ALA 63 Cb 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 19.38 2jmr n ALA 63 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 2jmr s VAL 64 N -1.20 0.08 -0.38 0.00 1.01 -1.26 -4.51 120.40 114.14 2jmr s VAL 64 Ca 0.00 -1.42 -0.02 0.00 0.00 0.00 0.00 61.98 60.54 2jmr s VAL 64 Cb 0.00 -1.78 0.10 0.00 0.00 0.00 0.00 36.38 34.69 2jmr s VAL 64 CO 0.00 -0.38 0.15 -0.54 0.00 0.00 0.00 175.10 174.33 2jmr s LYS 65 N -3.96 2.01 0.40 2.72 -0.14 0.61 -3.77 119.74 117.61 2jmr s LYS 65 Ca 0.16 -1.73 -0.23 0.00 -1.36 0.00 0.00 55.97 52.81 2jmr s LYS 65 Cb 0.04 -3.47 -0.10 0.00 -1.68 0.00 0.00 37.83 32.62 2jmr s LYS 65 CO -0.02 -0.98 0.98 0.54 -0.76 0.00 0.00 175.35 175.12 2jmr s VAL 66 N 1.13 4.11 -0.37 3.17 0.11 -1.26 -0.78 120.40 126.51 2jmr s VAL 66 Ca 0.06 1.50 0.03 0.00 -2.93 0.00 0.00 61.98 60.65 2jmr s VAL 66 Cb -0.22 -3.72 0.16 0.00 -1.53 0.00 0.00 36.38 31.07 2jmr s VAL 66 CO -0.04 -0.10 0.40 -0.83 -3.33 0.00 0.00 175.10 171.20 2jmr s GLY 67 N -1.85 -0.17 -0.40 6.54 0.00 -0.11 -4.69 107.32 106.65 2jmr s GLY 67 Ca 0.58 -0.78 -0.29 0.00 0.00 0.00 0.00 44.72 44.23 2jmr s GLY 67 CO 0.20 2.83 1.17 -1.36 0.00 0.00 0.00 173.10 175.95 2jmr s PHE 68 N 1.57 2.86 0.13 1.90 0.40 -1.26 -2.24 117.98 121.34 2jmr s PHE 68 Ca 0.16 0.88 0.04 0.00 -0.60 0.00 0.00 56.93 57.41 2jmr s PHE 68 Cb -0.14 -4.12 -0.04 0.00 0.51 0.00 0.00 43.02 39.23 2jmr s PHE 68 CO -0.06 -1.24 -0.09 0.95 0.70 0.00 0.00 175.22 175.48 2jmr s THR 69 N 4.29 1.03 -5.00 0.64 -4.23 -0.85 -2.70 115.64 108.81 2jmr s THR 69 Ca 0.50 -2.03 0.00 0.00 -1.18 0.00 0.00 61.69 58.98 2jmr s THR 69 Cb -0.11 -1.81 0.00 0.00 1.34 0.00 0.00 72.50 71.93 2jmr s THR 69 CO 0.25 -0.78 0.00 0.61 -0.54 0.00 0.00 174.62 174.17 2jmr n GLY 70 N -0.16 -0.12 3.68 3.99 0.00 -1.26 -1.11 105.19 110.21 2jmr n GLY 70 Ca -0.11 -1.51 -0.41 0.00 0.00 0.00 0.00 46.02 44.00 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 -2.73 4.97 0.16 1.61 1.01 -1.26 -4.78 120.40 119.38 2jmr s VAL 71 Ca 0.00 1.45 -0.30 0.00 0.00 0.00 0.00 61.98 63.13 2jmr s VAL 71 Cb 0.00 -4.05 -0.07 0.00 0.00 0.00 0.00 36.38 32.25 2jmr s VAL 71 CO 0.00 0.11 0.98 0.00 0.00 0.00 0.00 175.10 176.20 2jmr s ALA 72 N 1.70 3.30 0.82 5.51 0.00 -1.26 -1.25 121.76 130.57 2jmr s ALA 72 Ca 0.35 0.64 -0.11 0.00 0.00 0.00 0.00 51.96 52.84 2jmr s ALA 72 Cb -0.17 -3.27 0.08 0.00 0.00 0.00 0.00 23.12 19.76 2jmr s ALA 72 CO 0.13 0.01 1.09 0.34 0.00 0.00 0.00 175.76 177.33 2jmr s ASP 73 N -0.38 4.11 0.05 0.00 -1.08 -0.32 -4.60 116.67 114.45 2jmr s ASP 73 Ca 0.46 1.70 -0.27 0.00 -0.52 0.00 0.00 52.55 53.91 2jmr s ASP 73 Cb -0.25 -2.39 -0.17 0.00 -1.46 0.00 0.00 42.92 38.65 2jmr s ASP 73 CO 0.32 -2.26 1.49 -1.28 0.52 0.00 0.00 175.17 173.95 2jmr h SER 74 N -1.29 -0.41 -0.12 -0.34 0.87 -1.95 -3.22 113.55 107.08 2jmr h SER 74 Ca -0.46 -0.07 -0.05 0.00 -1.23 0.00 0.00 61.79 59.98 2jmr h SER 74 Cb 1.25 0.11 -0.00 0.00 -0.44 0.00 0.00 62.40 63.32 2jmr h SER 74 CO 0.52 -0.18 -0.10 0.45 -0.53 0.00 0.00 176.83 177.00 2jmr h HIS 75 N -0.64 0.34 -2.52 2.24 3.86 -1.96 -3.38 115.15 113.09 2jmr h HIS 75 Ca -0.05 -0.10 -0.50 0.00 -1.16 0.00 0.00 60.37 58.56 2jmr h HIS 75 Cb 0.46 -0.07 -0.38 0.00 1.06 0.00 0.00 27.41 28.48 2jmr h HIS 75 CO -0.02 0.68 -0.78 -0.80 0.86 0.00 0.00 177.93 177.87 2jmr s ASN 76 N -6.01 2.78 0.14 2.45 -0.87 -1.26 -5.03 114.94 107.14 2jmr s ASN 76 Ca -0.14 -1.60 0.14 0.00 -1.57 0.00 0.00 52.86 49.68 2jmr s ASN 76 Cb 0.05 -0.14 0.66 0.00 -0.02 0.00 0.00 41.25 41.79 2jmr s ASN 76 CO 0.74 -0.36 1.42 0.00 -2.57 0.00 0.00 177.10 176.33 2jmr n ALA 77 N 4.67 1.28 0.30 0.60 0.00 -1.21 -1.36 120.51 124.78 2jmr n ALA 77 Ca 0.04 0.06 0.11 0.00 0.00 0.00 0.00 53.44 53.65 2jmr n ALA 77 Cb 0.41 -1.21 0.52 0.00 0.00 0.00 0.00 19.45 19.17 2jmr n ALA 77 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 2jmr n ASN 78 N -1.86 0.62 -4.67 0.00 4.13 -1.26 -4.25 115.26 107.97 2jmr n ASN 78 Ca 0.01 0.70 -0.32 0.00 1.68 0.00 0.00 54.58 56.65 2jmr n ASN 78 Cb 0.09 -0.81 -0.09 0.00 -1.54 0.00 0.00 39.78 37.42 2jmr n ASN 78 CO 0.00 0.00 0.00 -0.76 0.28 0.00 0.00 177.26 176.78 2jmr s LEU 79 N -4.47 3.45 0.18 3.41 2.01 -0.46 -4.20 118.68 118.60 2jmr s LEU 79 Ca 0.01 -0.04 -0.30 0.00 0.01 0.00 0.00 54.13 53.82 2jmr s LEU 79 Cb 0.08 -1.99 -0.08 0.00 0.01 0.00 0.00 46.19 44.21 2jmr s LEU 79 CO 0.31 0.28 1.26 -0.22 1.01 0.00 0.00 176.35 178.98 2jmr s LEU 80 N -1.56 4.43 0.81 1.79 2.96 -0.06 -1.18 118.68 125.87 2jmr s LEU 80 Ca 0.19 2.31 -0.11 0.00 -0.22 0.00 0.00 54.13 56.30 2jmr s LEU 80 Cb -0.11 -3.61 0.08 0.00 0.50 0.00 0.00 46.19 43.04 2jmr s LEU 80 CO 0.10 -0.46 1.09 0.00 -1.32 0.00 0.00 176.35 175.76 2jmr s ALA 81 N 0.11 2.13 0.66 5.97 0.00 -0.38 -0.25 121.76 129.99 2jmr s ALA 81 Ca 0.55 -0.09 -0.01 0.00 0.00 0.00 0.00 51.96 52.41 2jmr s ALA 81 Cb -0.34 -3.15 0.10 0.00 0.00 0.00 0.00 23.12 19.72 2jmr s ALA 81 CO 0.37 -1.83 0.65 1.28 0.00 0.00 0.00 175.76 176.24 2jmr n LEU 82 N -3.52 0.00 0.00 0.00 4.32 -1.26 -4.51 117.00 112.03 2jmr n LEU 82 Ca 0.07 -1.27 0.00 0.00 -0.02 0.00 0.00 56.01 54.79 2jmr n LEU 82 Cb 0.55 -0.44 0.00 0.00 -1.62 0.00 0.00 43.42 41.92 2jmr n LEU 82 CO 0.56 -0.84 0.32 -1.84 -1.22 0.00 0.00 177.39 174.36 2jmr n GLU 83 N -2.24 0.00 -4.06 3.23 0.28 -0.05 -4.85 120.64 112.95 2jmr n GLU 83 Ca 0.10 0.15 -0.42 0.00 -0.16 0.00 0.00 57.16 56.84 2jmr n GLU 83 Cb 0.37 -1.55 0.00 0.00 1.43 0.00 0.00 31.44 31.69 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 -1.08 -3.27 -4.25 -1.84 4.05 -1.26 -4.98 115.26 102.64 2jmr n ASN 84 Ca 0.00 -1.25 -0.16 0.00 0.45 0.00 0.00 54.58 53.62 2jmr n ASN 84 Cb 0.05 -1.93 -0.10 0.00 1.23 0.00 0.00 39.78 39.03 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 -3.68 1.26 0.31 -0.44 -1.32 -1.26 -5.05 115.64 105.45 2jmr s THR 85 Ca 0.39 -1.93 0.00 0.00 -1.21 0.00 0.00 61.69 58.94 2jmr s THR 85 Cb -0.20 -1.72 0.27 0.00 -1.51 0.00 0.00 72.50 69.34 2jmr s THR 85 CO 0.96 -0.61 1.93 -0.37 -2.21 0.00 0.00 174.62 174.33 2jmr h VAL 86 N 3.06 1.11 -0.00 5.08 -1.51 -1.97 -1.38 116.25 120.65 2jmr h VAL 86 Ca -0.38 -0.36 0.00 0.00 -1.23 0.00 0.00 66.70 64.74 2jmr h VAL 86 Cb 1.20 -0.02 0.00 0.00 -2.13 0.00 0.00 31.29 30.34 2jmr h VAL 86 CO 0.58 0.19 -0.00 -1.20 -1.23 0.00 0.00 177.57 175.91 2jmr n SER 87 N -4.46 0.40 -3.88 4.19 7.64 -1.26 -4.81 113.62 111.44 2jmr n SER 87 Ca 0.12 -1.10 -0.30 0.00 1.01 0.00 0.00 58.87 58.59 2jmr n SER 87 Cb 0.14 -0.01 0.23 0.00 -1.01 0.00 0.00 64.21 63.56 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 -2.02 0.96 0.68 -0.43 0.00 -0.52 -3.26 121.76 117.15 2jmr s ALA 88 Ca 0.45 -1.00 -0.07 0.00 0.00 0.00 0.00 51.96 51.33 2jmr s ALA 88 Cb 0.22 -2.86 0.04 0.00 0.00 0.00 0.00 23.12 20.52 2jmr s ALA 88 CO 0.37 -3.35 0.99 0.00 0.00 0.00 0.00 175.76 173.77 2jmr s ALA 89 N -3.20 3.18 0.10 0.00 0.00 -1.22 -4.31 121.76 116.31 2jmr s ALA 89 Ca 0.72 -0.83 0.03 0.00 0.00 0.00 0.00 51.96 51.87 2jmr s ALA 89 Cb -0.08 -2.63 -0.04 0.00 0.00 0.00 0.00 23.12 20.37 2jmr s ALA 89 CO 0.55 -1.16 -0.08 -1.12 0.00 0.00 0.00 175.76 173.95 2jmr s SER 90 N -4.45 1.26 -2.11 0.00 0.01 -1.26 -4.80 113.70 102.34 2jmr s SER 90 Ca 0.58 -0.91 0.00 0.00 1.31 0.00 0.00 55.95 56.93 2jmr s SER 90 Cb -0.11 0.06 0.00 0.00 0.21 0.00 0.00 66.02 66.18 2jmr s SER 90 CO 0.45 -0.37 0.00 0.61 0.41 0.00 0.00 173.24 174.34 2jmr n GLY 91 N 0.24 1.77 2.55 3.44 0.00 -1.26 -4.59 105.19 107.34 2jmr n GLY 91 Ca -0.14 -0.04 -0.29 0.00 0.00 0.00 0.00 46.02 45.55 2jmr n GLY 91 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2jmr s LEU 92 N -4.67 1.66 0.72 0.99 1.43 -1.26 -0.61 118.68 116.95 2jmr s LEU 92 Ca 0.00 -2.44 -0.11 0.00 -1.03 0.00 0.00 54.13 50.55 2jmr s LEU 92 Cb 0.00 -0.64 0.02 0.00 0.03 0.00 0.00 46.19 45.61 2jmr s LEU 92 CO 0.00 -0.28 1.07 -0.83 0.23 0.00 0.00 176.35 176.54 2jmr s GLY 93 N 0.69 1.66 0.26 -3.19 0.00 -0.19 -4.78 107.32 101.78 2jmr s GLY 93 Ca 0.19 0.02 -0.25 0.00 0.00 0.00 0.00 44.72 44.69 2jmr s GLY 93 CO -0.01 0.36 0.87 -0.42 0.00 0.00 0.00 173.10 173.89 2jmr s ILE 94 N -3.06 4.30 -0.22 0.90 -1.09 0.65 -0.32 121.20 122.36 2jmr s ILE 94 Ca 0.59 1.72 0.00 0.00 -2.23 0.00 0.00 60.65 60.73 2jmr s ILE 94 Cb -0.14 -4.04 0.05 0.00 -1.58 0.00 0.00 42.46 36.75 2jmr s ILE 94 CO 0.55 0.27 -0.06 -1.58 -1.23 0.00 0.00 174.94 172.89 2jmr s GLN 95 N -1.78 1.64 -0.09 2.79 0.74 0.36 -0.88 119.66 122.44 2jmr s GLN 95 Ca 0.45 -0.89 -0.01 0.00 0.05 0.00 0.00 55.36 54.96 2jmr s GLN 95 Cb -0.20 -2.47 -0.03 0.00 1.10 0.00 0.00 33.01 31.41 2jmr s GLN 95 CO 0.25 -0.55 -0.04 -0.51 -0.55 0.00 0.00 175.29 173.89 2jmr s LEU 96 N 1.44 3.32 0.27 3.68 2.01 -1.26 -0.13 118.68 128.00 2jmr s LEU 96 Ca -0.04 0.01 0.08 0.00 0.01 0.00 0.00 54.13 54.19 2jmr s LEU 96 Cb -0.18 -1.75 -0.05 0.00 0.01 0.00 0.00 46.19 44.22 2jmr s LEU 96 CO -0.07 0.33 -0.10 -0.76 1.01 0.00 0.00 176.35 176.76 2jmr s LEU 97 N -0.62 2.54 0.00 1.79 2.01 -0.32 -3.25 118.68 120.83 2jmr s LEU 97 Ca 0.10 -1.13 -0.15 0.00 0.01 0.00 0.00 54.13 52.96 2jmr s LEU 97 Cb -0.12 -0.74 0.20 0.00 0.01 0.00 0.00 46.19 45.54 2jmr s LEU 97 CO 0.02 -0.24 1.12 -0.46 1.01 0.00 0.00 176.35 177.81 2jmr n ASN 98 N -0.56 -0.14 0.11 2.29 0.23 -1.10 -3.19 115.26 112.91 2jmr n ASN 98 Ca -0.06 -1.38 0.15 0.00 -0.53 0.00 0.00 54.58 52.76 2jmr n ASN 98 Cb 0.62 -0.88 0.67 0.00 -2.08 0.00 0.00 39.78 38.11 2jmr n ASN 98 CO 0.00 0.00 0.00 -0.08 -0.93 0.00 0.00 177.26 176.25 2jmr h GLU 99 N 0.00 0.01 -0.00 -3.83 4.81 -1.90 -0.21 114.58 113.46 2jmr h GLU 99 Ca -0.37 -0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.86 2jmr h GLU 99 Cb 1.03 -0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.41 2jmr h GLU 99 CO 0.26 0.00 0.00 1.04 -0.73 0.00 0.00 179.01 179.58 2jmr n GLN 100 N -4.45 1.02 -1.07 1.92 6.02 -1.26 -4.88 117.38 114.67 2jmr n GLN 100 Ca 0.04 -0.02 -0.03 0.00 -0.01 0.00 0.00 57.00 56.98 2jmr n GLN 100 Cb 0.39 -1.44 -0.01 0.00 1.02 0.00 0.00 30.24 30.20 2jmr n GLN 100 CO 0.00 0.00 0.00 1.04 -1.01 0.00 0.00 177.06 177.09 2jmr n GLN 101 N -0.91 -1.64 -2.92 -1.09 6.02 -0.09 -4.99 117.38 111.77 2jmr n GLN 101 Ca 0.21 0.53 -0.32 0.00 -0.01 0.00 0.00 57.00 57.40 2jmr n GLN 101 Cb 0.10 -4.80 -0.06 0.00 1.02 0.00 0.00 30.24 26.50 2jmr n GLN 101 CO 0.00 0.00 0.00 1.21 -1.01 0.00 0.00 177.06 177.26 2jmr s ASN 102 N -2.11 6.81 -0.01 1.08 3.04 -1.26 -4.82 114.94 117.67 2jmr s ASN 102 Ca 0.00 1.47 -0.36 0.00 0.04 0.00 0.00 52.86 54.01 2jmr s ASN 102 Cb 0.00 -2.45 -0.14 0.00 -1.54 0.00 0.00 41.25 37.12 2jmr s ASN 102 CO 0.00 -0.32 1.64 1.67 -3.04 0.00 0.00 177.10 177.05 2jmr n GLN 103 N -0.65 1.76 -3.41 0.43 7.27 -1.26 -2.70 117.38 118.81 2jmr n GLN 103 Ca 0.05 0.64 -0.40 0.00 0.07 0.00 0.00 57.00 57.36 2jmr n GLN 103 Cb 0.54 -2.39 -0.09 0.00 2.41 0.00 0.00 30.24 30.71 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 2.19 5.18 0.70 1.69 1.01 -1.20 -4.85 121.20 125.91 2jmr s ILE 104 Ca 0.88 0.29 -0.12 0.00 0.00 0.00 0.00 60.65 61.69 2jmr s ILE 104 Cb -0.81 -3.74 0.01 0.00 0.01 0.00 0.00 42.46 37.93 2jmr s ILE 104 CO 0.49 0.05 1.08 -2.16 0.00 0.00 0.00 174.94 174.39 2jmr s PRO 105 N 2.03 2.76 0.64 2.79 0.04 -1.26 -4.75 135.00 137.24 2jmr s PRO 105 Ca 0.13 1.14 -0.00 0.00 0.04 0.00 0.00 61.00 62.31 2jmr s PRO 105 Cb -0.16 -1.96 0.08 0.00 0.04 0.00 0.00 34.50 32.50 2jmr s PRO 105 CO 0.11 -1.25 0.90 -0.51 0.04 0.00 0.00 177.00 176.28 2jmr s LEU 106 N -5.37 3.09 -0.76 -3.56 1.02 -1.26 -4.52 118.68 107.33 2jmr s LEU 106 Ca 0.62 -0.14 0.00 0.00 0.02 0.00 0.00 54.13 54.63 2jmr s LEU 106 Cb -0.16 -2.47 0.00 0.00 0.02 0.00 0.00 46.19 43.57 2jmr s LEU 106 CO 0.50 -1.52 0.00 0.59 0.02 0.00 0.00 176.35 175.93 2jmr n ASN 107 N -2.63 -5.81 -4.85 2.29 4.13 -1.10 -4.90 115.26 102.40 2jmr n ASN 107 Ca 0.11 0.18 -0.31 0.00 1.68 0.00 0.00 54.58 56.24 2jmr n ASN 107 Cb 0.60 -3.94 0.02 0.00 -1.54 0.00 0.00 39.78 34.92 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 -1.62 2.94 0.71 5.41 0.00 -1.26 -5.06 121.76 122.88 2jmr s ALA 108 Ca 0.00 0.02 -0.11 0.00 0.00 0.00 0.00 51.96 51.87 2jmr s ALA 108 Cb 0.00 -3.12 0.01 0.00 0.00 0.00 0.00 23.12 20.01 2jmr s ALA 108 CO 0.00 -0.83 1.06 -1.25 0.00 0.00 0.00 175.76 174.75 2jmr s PRO 109 N -4.98 2.85 0.00 0.00 0.04 -1.26 -4.93 135.00 126.72 2jmr s PRO 109 Ca 0.57 0.85 0.00 0.00 0.04 0.00 0.00 61.00 62.46 2jmr s PRO 109 Cb -0.12 -1.99 0.02 0.00 0.04 0.00 0.00 34.50 32.45 2jmr s PRO 109 CO 0.51 -1.13 0.50 0.43 0.04 0.00 0.00 177.00 177.36 2jmr n SER 110 N -3.13 0.00 -0.59 6.66 7.64 -1.26 -1.90 113.62 121.03 2jmr n SER 110 Ca 0.07 -0.01 0.06 0.00 1.01 0.00 0.00 58.87 60.00 2jmr n SER 110 Cb 0.54 0.00 0.13 0.00 -1.01 0.00 0.00 64.21 63.87 2jmr n SER 110 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 2jmr n SER 111 N -0.98 2.69 -1.08 6.43 7.64 -1.26 -4.46 113.62 122.60 2jmr n SER 111 Ca 0.00 -1.88 0.11 0.00 1.01 0.00 0.00 58.87 58.11 2jmr n SER 111 Cb 0.00 -0.18 0.21 0.00 -1.01 0.00 0.00 64.21 63.24 2jmr n SER 111 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2jmr n ALA 112 N 0.53 2.38 -3.51 -0.43 0.00 -0.80 -4.99 120.51 113.69 2jmr n ALA 112 Ca 0.10 -1.04 -0.09 0.00 0.00 0.00 0.00 53.44 52.41 2jmr n ALA 112 Cb 0.39 -0.79 -0.02 0.00 0.00 0.00 0.00 19.45 19.03 2jmr n ALA 112 CO 0.00 0.00 0.00 -0.48 0.00 0.00 0.00 177.50 177.02 2jmr s LEU 113 N -1.29 -0.36 -0.13 0.00 0.05 -1.26 -4.89 118.68 110.80 2jmr s LEU 113 Ca 0.37 0.06 -0.12 0.00 0.05 0.00 0.00 54.13 54.48 2jmr s LEU 113 Cb 0.21 2.00 0.03 0.00 -2.05 0.00 0.00 46.19 46.38 2jmr s LEU 113 CO 0.29 -0.58 0.35 -0.55 -0.55 0.00 0.00 176.35 175.30 2jmr s SER 114 N -2.30 -0.36 0.72 1.48 0.15 -1.26 -4.85 113.70 107.28 2jmr s SER 114 Ca 0.04 0.67 -0.01 0.00 0.70 0.00 0.00 55.95 57.36 2jmr s SER 114 Cb -0.01 0.69 0.02 0.00 -1.71 0.00 0.00 66.02 65.01 2jmr s SER 114 CO -0.07 -0.14 0.11 1.87 1.20 0.00 0.00 173.24 176.21 2jmr n TRP 115 N 2.81 -3.69 -3.77 3.44 -0.00 -1.25 -4.97 117.44 110.02 2jmr n TRP 115 Ca -0.13 -0.14 -0.10 0.00 -0.00 0.00 0.00 57.50 57.13 2jmr n TRP 115 Cb 0.57 -0.08 -0.00 0.00 -0.00 0.00 0.00 31.31 31.80 2jmr n TRP 115 CO 0.00 0.00 0.00 -2.37 -0.00 0.00 0.00 177.69 175.32 2jmr n THR 116 N -1.86 0.00 -1.88 5.87 5.66 -1.26 -4.93 114.28 115.88 2jmr n THR 116 Ca 0.02 -0.78 -0.39 0.00 -3.05 0.00 0.00 64.05 59.85 2jmr n THR 116 Cb 0.05 -0.23 -0.03 0.00 -1.55 0.00 0.00 70.33 68.58 2jmr n THR 116 CO 0.00 0.00 0.00 -0.89 -3.05 0.00 0.00 175.07 171.13 2jmr s THR 117 N -1.10 3.26 -0.28 1.09 2.01 -1.26 -4.31 115.64 115.04 2jmr s THR 117 Ca 0.09 0.17 -0.28 0.00 0.31 0.00 0.00 61.69 61.98 2jmr s THR 117 Cb -0.01 -3.60 -0.05 0.00 0.01 0.00 0.00 72.50 68.86 2jmr s THR 117 CO 0.05 -0.55 2.21 -0.76 -0.69 0.00 0.00 174.62 174.89 2jmr s LEU 118 N 9.69 3.43 0.44 4.42 1.43 -0.57 -4.98 118.68 132.54 2jmr s LEU 118 Ca 0.79 1.68 -0.25 0.00 -1.03 0.00 0.00 54.13 55.32 2jmr s LEU 118 Cb -0.16 -3.34 -0.08 0.00 0.03 0.00 0.00 46.19 42.65 2jmr s LEU 118 CO 0.24 -2.10 1.30 -0.89 0.23 0.00 0.00 176.35 175.13 2jmr s THR 119 N 8.86 2.57 0.48 5.49 2.01 -1.26 -4.54 115.64 129.25 2jmr s THR 119 Ca 0.98 0.48 -0.21 0.00 0.31 0.00 0.00 61.69 63.25 2jmr s THR 119 Cb -0.29 -3.27 -0.08 0.00 0.01 0.00 0.00 72.50 68.87 2jmr s THR 119 CO 0.33 0.04 1.07 -2.16 -0.69 0.00 0.00 174.62 173.22 2jmr s PRO 120 N -2.46 3.75 -0.16 4.92 0.04 -1.26 -3.68 135.00 136.15 2jmr s PRO 120 Ca 0.61 1.49 0.00 0.00 0.04 0.00 0.00 61.00 63.14 2jmr s PRO 120 Cb -0.37 -2.18 0.00 0.00 0.04 0.00 0.00 34.50 31.99 2jmr s PRO 120 CO 0.47 -0.49 0.00 0.41 0.04 0.00 0.00 177.00 177.42 2jmr n GLY 121 N 0.01 -0.43 3.73 0.56 0.00 0.04 -4.91 105.19 104.19 2jmr n GLY 121 Ca 0.09 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.78 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 -4.70 2.92 -1.04 1.61 2.47 -1.24 -4.69 119.74 115.06 2jmr s LYS 122 Ca 0.00 -0.54 -0.21 0.00 -1.56 0.00 0.00 55.97 53.67 2jmr s LYS 122 Cb 0.00 -2.76 -0.08 0.00 -1.46 0.00 0.00 37.83 33.52 2jmr s LYS 122 CO 0.00 0.64 1.95 -0.35 0.16 0.00 0.00 175.35 177.76 2jmr n PRO 123 N 1.37 1.92 -1.42 4.03 -0.04 -1.26 -4.38 135.00 135.23 2jmr n PRO 123 Ca -0.14 -2.28 -0.36 0.00 -0.04 0.00 0.00 63.50 60.68 2jmr n PRO 123 Cb 0.53 -3.25 0.09 0.00 -0.04 0.00 0.00 33.50 30.83 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 9.18 1.12 -3.18 3.54 3.02 -0.81 -4.73 115.26 123.40 2jmr n ASN 124 Ca 0.49 0.70 0.01 0.00 -0.03 0.00 0.00 54.58 55.75 2jmr n ASN 124 Cb 0.42 -1.48 -0.01 0.00 -0.61 0.00 0.00 39.78 38.10 2jmr n ASN 124 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 2jmr s THR 125 N -1.75 -0.93 -0.14 3.41 2.01 -1.26 -0.81 115.64 116.19 2jmr s THR 125 Ca 0.76 -0.07 -0.21 0.00 0.31 0.00 0.00 61.69 62.49 2jmr s THR 125 Cb -0.35 -0.92 -0.03 0.00 0.01 0.00 0.00 72.50 71.21 2jmr s THR 125 CO 0.47 -0.06 0.63 -0.22 -0.69 0.00 0.00 174.62 174.75 2jmr s LEU 126 N 2.69 4.23 0.19 4.42 0.20 -1.22 -4.97 118.68 124.22 2jmr s LEU 126 Ca 0.10 0.96 -0.30 0.00 0.69 0.00 0.00 54.13 55.58 2jmr s LEU 126 Cb -0.10 -2.93 -0.08 0.00 -0.43 0.00 0.00 46.19 42.65 2jmr s LEU 126 CO -0.25 -0.17 1.16 0.20 -0.29 0.00 0.00 176.35 176.99 2jmr s ASN 127 N 0.95 7.15 0.21 3.68 0.01 -1.26 -3.02 114.94 122.67 2jmr s ASN 127 Ca 0.31 2.19 0.01 0.00 -0.71 0.00 0.00 52.86 54.67 2jmr s ASN 127 Cb -0.16 -2.61 -0.00 0.00 0.41 0.00 0.00 41.25 38.89 2jmr s ASN 127 CO 0.13 -0.31 0.25 0.49 -1.51 0.00 0.00 177.10 176.16 2jmr n PHE 128 N 2.34 -0.86 -3.99 2.20 3.72 0.72 -3.30 117.46 118.29 2jmr n PHE 128 Ca 0.03 -1.53 -0.09 0.00 -0.05 0.00 0.00 57.45 55.82 2jmr n PHE 128 Cb 0.45 0.28 -0.08 0.00 -0.94 0.00 0.00 39.48 39.19 2jmr n PHE 128 CO 0.00 0.00 0.00 0.71 -0.05 0.00 0.00 176.76 177.42 2jmr s TYR 129 N -3.41 0.42 0.04 1.38 1.51 -1.19 -0.88 117.35 115.22 2jmr s TYR 129 Ca 0.20 -0.86 -0.06 0.00 -1.01 0.00 0.00 57.07 55.33 2jmr s TYR 129 Cb 0.00 -0.22 -0.01 0.00 -0.11 0.00 0.00 41.96 41.62 2jmr s TYR 129 CO 0.14 -0.53 0.11 0.00 -1.11 0.00 0.00 175.55 174.17 2jmr s ALA 130 N -3.93 -0.11 0.00 3.71 0.00 -0.79 -1.18 121.76 119.46 2jmr s ALA 130 Ca 0.11 -0.53 0.00 0.00 0.00 0.00 0.00 51.96 51.54 2jmr s ALA 130 Cb 0.06 0.27 0.00 0.00 0.00 0.00 0.00 23.12 23.45 2jmr s ALA 130 CO -0.06 -0.34 0.00 -2.13 0.00 0.00 0.00 175.76 173.23 2jmr n ARG 131 N 0.68 0.00 -3.14 0.00 3.00 0.82 -1.04 116.66 116.98 2jmr n ARG 131 Ca -0.19 0.00 -0.21 0.00 -0.00 0.00 0.00 57.85 57.46 2jmr n ARG 131 Cb 0.59 0.00 0.01 0.00 0.00 0.00 0.00 32.46 33.06 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 3.74 -0.13 6.15 1.43 -1.26 -0.49 118.68 128.11 2jmr s LEU 132 Ca 0.00 0.03 -0.02 0.00 -1.03 0.00 0.00 54.13 53.11 2jmr s LEU 132 Cb 0.00 -2.94 0.04 0.00 0.03 0.00 0.00 46.19 43.32 2jmr s LEU 132 CO 0.00 -0.65 -0.00 -0.32 0.23 0.00 0.00 176.35 175.61 2jmr s MET 133 N -4.41 0.86 0.40 1.70 -2.45 0.57 -4.07 119.30 111.89 2jmr s MET 133 Ca 0.48 -0.22 -0.27 0.00 -1.25 0.00 0.00 55.69 54.44 2jmr s MET 133 Cb -0.10 -1.60 -0.09 0.00 1.25 0.00 0.00 34.83 34.29 2jmr s MET 133 CO 0.35 -0.44 1.39 0.00 1.05 0.00 0.00 175.02 177.38 2jmr s ALA 134 N 1.85 3.38 0.00 4.11 0.00 -1.22 -1.02 121.76 128.86 2jmr s ALA 134 Ca 0.02 1.40 0.00 0.00 0.00 0.00 0.00 51.96 53.39 2jmr s ALA 134 Cb -0.14 -3.55 0.00 0.00 0.00 0.00 0.00 23.12 19.42 2jmr s ALA 134 CO -0.07 -0.98 0.00 0.25 0.00 0.00 0.00 175.76 174.97 2jmr n THR 135 N 0.22 0.00 -4.23 0.00 -2.24 0.22 -4.54 114.28 103.71 2jmr n THR 135 Ca 0.03 -0.21 -0.18 0.00 -2.27 0.00 0.00 64.05 61.42 2jmr n THR 135 Cb 0.42 0.86 -0.07 0.00 -2.10 0.00 0.00 70.33 69.44 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 -0.56 0.47 -2.54 -0.78 1.13 -0.61 -4.80 117.38 109.70 2jmr n GLN 136 Ca 0.00 -3.19 -0.30 0.00 -1.94 0.00 0.00 57.00 51.56 2jmr n GLN 136 Cb 0.00 2.71 -0.00 0.00 0.11 0.00 0.00 30.24 33.05 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 -0.62 3.11 0.19 5.09 0.31 -1.26 -4.65 118.33 120.50 2jmr n VAL 137 Ca 0.06 -5.12 0.12 0.00 -0.01 0.00 0.00 64.34 59.39 2jmr n VAL 137 Cb 0.60 -1.33 0.13 0.00 -0.91 0.00 0.00 33.84 32.33 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 2.91 0.00 -6.68 5.55 0.13 -1.83 -3.49 132.00 128.59 2jmr h PRO 138 Ca 0.32 0.00 -0.47 0.00 -0.87 0.00 0.00 66.00 64.98 2jmr h PRO 138 Cb 0.61 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.74 2jmr h PRO 138 CO 0.96 0.00 -1.03 1.33 -0.23 0.00 0.00 178.00 179.03 2jmr n VAL 139 N -3.01 -3.73 -3.75 1.56 0.24 -1.26 -4.98 118.33 103.41 2jmr n VAL 139 Ca 0.03 -0.05 -0.38 0.00 -2.04 0.00 0.00 64.34 61.90 2jmr n VAL 139 Cb 0.54 -3.15 -0.12 0.00 -1.47 0.00 0.00 33.84 29.64 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 -3.01 3.66 0.31 3.34 2.01 -1.26 -5.06 115.64 115.62 2jmr s THR 140 Ca 0.02 -1.43 -0.29 0.00 0.31 0.00 0.00 61.69 60.30 2jmr s THR 140 Cb -0.01 -3.20 -0.12 0.00 0.01 0.00 0.00 72.50 69.18 2jmr s THR 140 CO 0.89 -0.35 1.43 0.00 -0.69 0.00 0.00 174.62 175.90 2jmr n ALA 141 N 4.76 1.74 0.00 7.40 0.00 -1.26 -4.03 120.51 129.12 2jmr n ALA 141 Ca -0.10 0.37 0.00 0.00 0.00 0.00 0.00 53.44 53.71 2jmr n ALA 141 Cb 0.43 -2.34 0.00 0.00 0.00 0.00 0.00 19.45 17.54 2jmr n ALA 141 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2jmr n GLY 142 N 1.44 1.29 3.77 0.00 0.00 -1.02 -4.68 105.19 105.98 2jmr n GLY 142 Ca 0.07 -0.61 -0.41 0.00 0.00 0.00 0.00 46.02 45.07 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 2.96 -0.12 1.61 0.00 -1.20 -0.52 115.29 116.01 2jmr s HIS 143 Ca 0.00 1.32 -0.25 0.00 -3.00 0.00 0.00 55.06 53.13 2jmr s HIS 143 Cb 0.00 -3.76 -0.02 0.00 -4.00 0.00 0.00 32.58 24.79 2jmr s HIS 143 CO 0.00 -2.17 0.81 0.42 -1.00 0.00 0.00 174.74 172.80 2jmr s ILE 144 N -0.99 4.92 -0.04 -5.38 -1.09 0.45 -3.40 121.20 115.67 2jmr s ILE 144 Ca 0.51 1.63 -0.02 0.00 -2.23 0.00 0.00 60.65 60.55 2jmr s ILE 144 Cb -0.41 -4.13 0.03 0.00 -1.58 0.00 0.00 42.46 36.37 2jmr s ILE 144 CO 0.54 0.11 0.08 0.20 -1.23 0.00 0.00 174.94 174.63 2jmr s ASN 145 N 1.04 0.50 0.19 3.58 0.01 -1.26 -3.22 114.94 115.79 2jmr s ASN 145 Ca 0.40 0.14 -0.15 0.00 -0.71 0.00 0.00 52.86 52.53 2jmr s ASN 145 Cb -0.17 -0.00 0.02 0.00 0.41 0.00 0.00 41.25 41.50 2jmr s ASN 145 CO 0.16 -0.19 0.47 0.00 -1.51 0.00 0.00 177.10 176.03 2jmr s ALA 146 N 1.64 -0.68 -0.20 0.60 0.00 -1.21 -0.87 121.76 121.04 2jmr s ALA 146 Ca -0.03 -0.42 -0.27 0.00 0.00 0.00 0.00 51.96 51.24 2jmr s ALA 146 Cb -0.12 0.87 0.07 0.00 0.00 0.00 0.00 23.12 23.93 2jmr s ALA 146 CO -0.04 -0.78 0.70 -0.08 0.00 0.00 0.00 175.76 175.57 2jmr s THR 147 N -3.91 0.00 0.30 0.00 -1.32 -1.25 -3.13 115.64 106.32 2jmr s THR 147 Ca 0.12 -0.00 -0.19 0.00 -1.21 0.00 0.00 61.69 60.41 2jmr s THR 147 Cb -0.00 -0.99 0.06 0.00 -1.51 0.00 0.00 72.50 70.05 2jmr s THR 147 CO -0.01 -0.00 0.85 0.00 -2.21 0.00 0.00 174.62 173.25 2jmr s ALA 148 N -0.14 -1.11 -0.09 11.08 0.00 -1.25 -4.53 121.76 125.71 2jmr s ALA 148 Ca -0.04 -0.49 -0.00 0.00 0.00 0.00 0.00 51.96 51.43 2jmr s ALA 148 Cb -0.03 0.72 0.02 0.00 0.00 0.00 0.00 23.12 23.83 2jmr s ALA 148 CO 0.04 -1.02 -0.06 0.95 0.00 0.00 0.00 175.76 175.67 2jmr s THR 149 N -2.64 0.80 -1.12 0.00 -4.23 -0.27 -0.97 115.64 107.22 2jmr s THR 149 Ca 0.16 -0.18 -0.09 0.00 -1.18 0.00 0.00 61.69 60.41 2jmr s THR 149 Cb -0.04 -0.84 0.28 0.00 1.34 0.00 0.00 72.50 73.24 2jmr s THR 149 CO 0.08 0.32 1.16 2.22 -0.54 0.00 0.00 174.62 177.87 2jmr n PHE 150 N 4.75 4.97 -2.49 3.99 -1.74 -1.23 -2.01 117.46 123.70 2jmr n PHE 150 Ca -0.14 -3.77 -0.33 0.00 -0.56 0.00 0.00 57.45 52.66 2jmr n PHE 150 Cb 0.50 -1.67 -0.04 0.00 1.52 0.00 0.00 39.48 39.79 2jmr n PHE 150 CO 0.00 0.00 0.00 0.95 -0.56 0.00 0.00 176.76 177.15 2jmr s THR 151 N -1.42 4.32 -0.20 1.97 -4.23 -0.95 -4.91 115.64 110.23 2jmr s THR 151 Ca 0.31 1.24 0.01 0.00 -1.18 0.00 0.00 61.69 62.07 2jmr s THR 151 Cb -0.08 -3.62 0.04 0.00 1.34 0.00 0.00 72.50 70.18 2jmr s THR 151 CO -0.06 -0.52 -0.10 -0.76 -0.54 0.00 0.00 174.62 172.65 2jmr s LEU 152 N -3.81 2.21 0.36 4.79 2.01 -1.26 -0.94 118.68 122.04 2jmr s LEU 152 Ca 0.61 -0.87 -0.24 0.00 0.01 0.00 0.00 54.13 53.64 2jmr s LEU 152 Cb -0.11 -1.19 -0.10 0.00 0.01 0.00 0.00 46.19 44.79 2jmr s LEU 152 CO 0.26 -0.15 0.95 -1.61 1.01 0.00 0.00 176.35 176.80 2jmr s GLU 153 N 1.42 4.45 0.38 1.70 8.01 0.04 -4.18 118.70 130.52 2jmr s GLU 153 Ca -0.01 1.25 -0.00 0.00 0.01 0.00 0.00 54.97 56.22 2jmr s GLU 153 Cb -0.16 -2.56 0.08 0.00 -4.31 0.00 0.00 34.13 27.17 2jmr s GLU 153 CO -0.08 0.16 0.53 0.66 0.01 0.00 0.00 175.26 176.54 2jmr n TYR 154 N 0.10 -3.14 -2.06 1.61 4.01 -1.26 -0.28 117.16 116.14 2jmr n TYR 154 Ca 0.04 -0.94 -0.42 0.00 -0.16 0.00 0.00 57.90 56.42 2jmr n TYR 154 Cb 0.52 -0.38 -0.03 0.00 -0.31 0.00 0.00 39.34 39.13 2jmr n TYR 154 CO 0.00 0.00 0.00 -0.65 -0.46 0.00 0.00 176.86 175.75 2jmr s GLN 155 N -3.82 4.26 0.31 -0.72 -1.52 -1.26 -4.64 119.66 112.27 2jmr s GLN 155 Ca 0.35 2.19 -0.19 0.00 -1.95 0.00 0.00 55.36 55.76 2jmr s GLN 155 Cb -0.02 -3.36 0.03 0.00 -0.22 0.00 0.00 33.01 29.44 2jmr s GLN 155 CO 0.23 -0.57 0.73 0.16 -0.25 0.00 0.00 175.29 175.59 2jmr s ASP 156 N 1.55 -0.15 0.00 5.90 1.47 -1.26 -4.98 116.67 119.20 2jmr s ASP 156 Ca 0.68 -0.81 0.24 0.00 1.18 0.00 0.00 52.55 53.84 2jmr s ASP 156 Cb -0.38 0.76 0.30 0.00 -0.34 0.00 0.00 42.92 43.26 2jmr s ASP 156 CO 0.30 -1.45 1.27 0.59 0.68 0.00 0.00 175.17 176.56 2jmr n ASN 157 N -0.77 0.96 -2.91 2.11 3.02 -1.26 -4.76 115.26 111.65 2jmr n ASN 157 Ca -0.05 -0.77 -0.33 0.00 -0.03 0.00 0.00 54.58 53.41 2jmr n ASN 157 Cb 0.59 0.45 -0.03 0.00 -0.61 0.00 0.00 39.78 40.18 2jmr n ASN 157 CO 0.00 0.00 0.00 1.57 -2.62 0.00 0.00 177.26 176.21 2jmr n HIS 158 N -1.10 2.03 -0.33 3.10 -0.00 -1.26 -4.79 115.22 112.87 2jmr n HIS 158 Ca 0.07 -2.30 0.13 0.00 0.46 0.00 0.00 57.72 56.08 2jmr n HIS 158 Cb 0.36 -1.55 0.27 0.00 -0.12 0.00 0.00 29.99 28.94 2jmr n HIS 158 CO 0.00 0.00 0.00 1.12 0.46 0.00 0.00 176.34 177.92 2jmr h HIS 159 N 3.65 -0.04 -1.95 1.57 2.07 -1.99 -3.39 115.15 115.07 2jmr h HIS 159 Ca 0.52 0.07 -0.61 0.00 -2.85 0.00 0.00 60.37 57.50 2jmr h HIS 159 Cb 0.54 0.17 0.01 0.00 2.57 0.00 0.00 27.41 30.70 2jmr h HIS 159 CO 1.51 -0.39 1.20 0.72 -3.07 0.00 0.00 177.93 177.91 2jmr n HIS 160 N -5.46 2.22 -0.35 6.12 8.25 -1.26 -4.77 115.22 119.97 2jmr n HIS 160 Ca 0.21 -0.03 -0.10 0.00 -0.26 0.00 0.00 57.72 57.54 2jmr n HIS 160 Cb 0.70 -2.67 -0.03 0.00 1.12 0.00 0.00 29.99 29.11 2jmr n HIS 160 CO 0.00 0.00 0.00 1.58 0.64 0.00 0.00 176.34 178.56 2jmr n HIS 161 N 7.79 0.15 -3.49 4.41 -0.00 -1.26 -4.92 115.22 117.90 2jmr n HIS 161 Ca 0.25 0.10 -0.05 0.00 0.46 0.00 0.00 57.72 58.48 2jmr n HIS 161 Cb 0.32 -0.56 0.01 0.00 -0.12 0.00 0.00 29.99 29.64 2jmr n HIS 161 CO 0.00 0.00 0.00 1.58 0.46 0.00 0.00 176.34 178.38 2jmr n HIS 162 N 2.40 -1.68 -3.15 1.57 -0.00 -1.26 -5.04 115.22 108.05 2jmr n HIS 162 Ca 0.15 -1.08 -0.21 0.00 -0.00 0.00 0.00 57.72 56.58 2jmr n HIS 162 Cb 0.00 0.50 0.05 0.00 -0.00 0.00 0.00 29.99 30.54 2jmr n HIS 162 CO 0.00 0.00 0.00 1.58 -0.00 0.00 0.00 176.34 177.92 2jmr n HIS 163 N -0.30 -2.10 -1.38 1.57 -0.00 -1.26 -4.91 115.22 106.83 2jmr n HIS 163 Ca -0.04 0.64 -0.47 0.00 -0.00 0.00 0.00 57.72 57.85 2jmr n HIS 163 Cb 0.33 -4.38 -0.02 0.00 -0.00 0.00 0.00 29.99 25.92 2jmr n HIS 163 CO 0.00 0.00 0.00 0.36 -0.00 0.00 0.00 176.34 176.70 2jmr n LYS 164 N -4.05 0.01 -0.02 1.57 0.00 -1.26 -4.89 118.16 109.51 2jmr n LYS 164 Ca -0.06 0.00 -0.10 0.00 -0.00 0.00 0.00 58.31 58.15 2jmr n LYS 164 Cb 0.59 -1.01 -0.03 0.00 -0.00 0.00 0.00 35.03 34.58 2jmr n LYS 164 CO 0.00 0.00 0.00 0.37 0.00 0.00 0.00 177.40 177.77 2jmr h GLN 165 N 0.85 -0.34 0.00 -1.58 -0.00 -1.92 -3.48 115.11 108.65 2jmr h GLN 165 Ca -0.30 0.02 0.00 0.00 -0.00 0.00 0.00 58.65 58.37 2jmr h GLN 165 Cb 1.44 0.08 0.00 0.00 0.00 0.00 0.00 27.48 29.00 2jmr h GLN 165 CO 0.55 -0.23 0.00 0.00 0.00 0.00 0.00 178.83 179.15 2jmr n ALA 166 N -2.84 0.00 -1.27 3.38 0.00 -1.26 -4.95 120.51 113.57 2jmr n ALA 166 Ca -0.02 0.00 0.08 0.00 0.00 0.00 0.00 53.44 53.50 2jmr n ALA 166 Cb 0.32 0.00 0.17 0.00 0.00 0.00 0.00 19.45 19.94 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 -0.25 2.17 -4.53 0.00 5.75 -1.26 -4.95 116.55 113.48 2jmr n ASP 167 Ca 0.00 -3.40 -0.22 0.00 -0.01 0.00 0.00 54.79 51.15 2jmr n ASP 167 Cb 0.00 -0.48 -0.12 0.00 -1.03 0.00 0.00 41.12 39.50 2jmr n ASP 167 CO 0.00 0.00 0.00 -1.20 -0.11 0.00 0.00 177.20 175.89 2jmr n SER 168 N -1.28 0.80 -4.77 -1.12 7.64 -1.26 -4.92 113.62 108.71 2jmr n SER 168 Ca 0.18 -0.88 -0.39 0.00 1.01 0.00 0.00 58.87 58.79 2jmr n SER 168 Cb 0.68 -1.25 -0.02 0.00 -1.01 0.00 0.00 64.21 62.60 2jmr n SER 168 CO 0.00 0.00 0.00 -0.89 -3.01 0.00 0.00 175.04 171.14 2jmr s THR 169 N 9.61 3.11 -0.93 0.44 2.01 -1.19 -3.54 115.64 125.15 2jmr s THR 169 Ca 1.10 0.98 -0.07 0.00 0.31 0.00 0.00 61.69 64.01 2jmr s THR 169 Cb -0.46 -3.57 0.23 0.00 0.01 0.00 0.00 72.50 68.71 2jmr s THR 169 CO 0.29 0.13 0.86 -0.51 -0.69 0.00 0.00 174.62 174.70 2jmr s ILE 170 N -1.35 5.11 -0.61 1.82 -1.16 -0.14 -4.33 121.20 120.54 2jmr s ILE 170 Ca 0.55 -3.36 -0.28 0.00 -0.51 0.00 0.00 60.65 57.05 2jmr s ILE 170 Cb -0.32 -4.14 0.03 0.00 0.61 0.00 0.00 42.46 38.64 2jmr s ILE 170 CO 0.41 -1.09 1.27 -0.89 -2.81 0.00 0.00 174.94 171.83 2jmr s THR 171 N -0.91 3.89 0.06 4.00 2.01 -1.24 -3.93 115.64 119.53 2jmr s THR 171 Ca 0.26 0.74 -0.14 0.00 0.31 0.00 0.00 61.69 62.86 2jmr s THR 171 Cb -0.10 -4.70 -0.06 0.00 0.01 0.00 0.00 72.50 67.65 2jmr s THR 171 CO -0.09 -1.42 0.44 -0.63 -0.69 0.00 0.00 174.62 172.23 2jmr s ILE 172 N 5.41 4.99 0.48 1.82 1.01 -1.18 -0.99 121.20 132.74 2jmr s ILE 172 Ca 0.43 0.75 0.05 0.00 0.00 0.00 0.00 60.65 61.89 2jmr s ILE 172 Cb -0.08 -3.71 -0.01 0.00 0.01 0.00 0.00 42.46 38.67 2jmr s ILE 172 CO 0.23 0.43 0.24 -0.13 0.00 0.00 0.00 174.94 175.71 2jmr s ARG 173 N -1.49 2.25 0.00 2.79 0.52 -0.71 -3.32 118.95 118.98 2jmr s ARG 173 Ca 0.29 -2.00 0.00 0.00 -0.52 0.00 0.00 55.73 53.50 2jmr s ARG 173 Cb -0.16 -1.96 0.00 0.00 0.52 0.00 0.00 34.95 33.35 2jmr s ARG 173 CO 0.16 -0.36 0.00 0.41 0.02 0.00 0.00 175.30 175.53 2jmr n GLY 174 N -1.46 0.54 3.21 -3.53 0.00 -1.20 -4.32 105.19 98.44 2jmr n GLY 174 Ca -0.04 -1.11 -0.10 0.00 0.00 0.00 0.00 46.02 44.76 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 -0.63 -0.51 1.61 6.14 -1.26 -0.41 117.35 120.28 2jmr s TYR 175 Ca 0.00 1.29 -0.22 0.00 0.64 0.00 0.00 57.07 58.78 2jmr s TYR 175 Cb 0.00 0.22 0.04 0.00 0.42 0.00 0.00 41.96 42.64 2jmr s TYR 175 CO 0.00 -0.39 0.80 0.08 0.64 0.00 0.00 175.55 176.68 2jmr s VAL 176 N 2.05 4.60 0.27 3.14 1.01 0.32 -0.99 120.40 130.80 2jmr s VAL 176 Ca -0.05 0.07 -0.29 0.00 0.00 0.00 0.00 61.98 61.72 2jmr s VAL 176 Cb -0.11 -4.41 -0.09 0.00 0.00 0.00 0.00 36.38 31.77 2jmr s VAL 176 CO -0.12 -0.92 0.96 -0.13 0.00 0.00 0.00 175.10 174.89 2jmr s ARG 177 N 3.38 4.75 0.59 2.72 1.81 0.55 -2.44 118.95 130.30 2jmr s ARG 177 Ca 0.25 1.48 0.34 0.00 -1.72 0.00 0.00 55.73 56.08 2jmr s ARG 177 Cb -0.14 -3.13 1.86 0.00 -0.45 0.00 0.00 34.95 33.09 2jmr s ARG 177 CO 0.18 0.41 2.22 0.22 -0.68 0.00 0.00 175.30 177.64 2jmr h ASP 178 N 3.82 0.00 0.00 0.23 1.82 -1.95 0.52 116.42 120.86 2jmr h ASP 178 Ca -0.46 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.18 2jmr h ASP 178 Cb 1.20 0.00 0.00 0.00 0.68 0.00 0.00 39.33 41.21 2jmr h ASP 178 CO 0.67 0.04 0.00 -3.20 -1.61 0.00 0.00 179.24 175.13