#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2rtn h GLU 14 N 0.00 0.40 -0.19 0.00 -0.00 -1.91 -3.30 114.58 109.58 2rtn h GLU 14 Ca 0.00 -0.02 0.02 0.00 -0.00 0.00 0.00 59.36 59.36 2rtn h GLU 14 Cb 0.00 -0.09 -0.04 0.00 -0.00 0.00 0.00 28.75 28.62 2rtn h GLU 14 CO 0.00 0.26 -0.25 0.00 -0.00 0.00 0.00 179.01 179.02 2rtn h ALA 15 N 1.32 -0.52 -0.91 1.06 0.00 -1.92 -1.58 119.26 116.72 2rtn h ALA 15 Ca 0.24 -0.00 0.19 0.00 0.00 0.00 0.00 54.91 55.34 2rtn h ALA 15 Cb 0.23 0.90 -0.07 0.00 0.00 0.00 0.00 17.79 18.85 2rtn h ALA 15 CO -0.22 -0.64 0.59 0.78 0.00 0.00 0.00 179.25 179.76 2rtn h GLY 16 N -0.18 1.04 0.99 0.00 0.00 -2.01 -0.49 103.07 102.42 2rtn h GLY 16 Ca 0.03 -0.23 -0.16 0.00 0.00 0.00 0.00 47.33 46.98 2rtn h GLY 16 CO -0.27 0.01 -0.49 -2.22 0.00 0.00 0.00 176.54 173.56 2rtn h ILE 17 N 0.51 1.32 -2.26 2.60 2.04 -1.58 -3.44 117.51 116.70 2rtn h ILE 17 Ca 0.47 -1.73 -0.57 0.00 1.00 0.00 0.00 64.86 64.04 2rtn h ILE 17 Cb 1.03 1.91 0.03 0.00 -0.74 0.00 0.00 36.82 39.05 2rtn h ILE 17 CO -0.20 0.54 1.10 0.41 0.00 0.00 0.00 178.15 180.00 2rtn n THR 18 N -4.16 0.51 -2.29 -0.27 -1.04 -0.19 -4.81 114.28 102.02 2rtn n THR 18 Ca -0.06 -0.09 0.00 0.00 -2.04 0.00 0.00 64.05 61.86 2rtn n THR 18 Cb 0.59 -2.01 0.00 0.00 -1.82 0.00 0.00 70.33 67.09 2rtn n THR 18 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 2rtn n GLY 19 N 4.29 -1.24 3.77 3.41 0.00 -0.91 -4.51 105.19 110.00 2rtn n GLY 19 Ca 0.20 -1.40 -0.36 0.00 0.00 0.00 0.00 46.02 44.46 2rtn n GLY 19 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2rtn s THR 20 N -2.51 5.33 0.07 2.61 2.01 0.12 -2.49 115.64 120.78 2rtn s THR 20 Ca 0.00 0.44 0.05 0.00 0.31 0.00 0.00 61.69 62.50 2rtn s THR 20 Cb 0.00 -3.56 -0.03 0.00 0.01 0.00 0.00 72.50 68.92 2rtn s THR 20 CO 0.00 0.46 -0.15 0.26 -0.69 0.00 0.00 174.62 174.50 2rtn s TRP 21 N 0.02 1.29 0.05 4.92 0.52 -0.21 -1.42 118.94 124.10 2rtn s TRP 21 Ca 0.15 -0.44 0.03 0.00 0.02 0.00 0.00 56.10 55.85 2rtn s TRP 21 Cb -0.13 -0.72 -0.03 0.00 -1.15 0.00 0.00 33.47 31.44 2rtn s TRP 21 CO 0.04 0.07 -0.09 1.52 0.02 0.00 0.00 176.95 178.51 2rtn s TYR 22 N -1.22 0.77 0.52 -1.98 -0.85 -0.58 -1.18 117.35 112.84 2rtn s TYR 22 Ca -0.01 -0.51 0.04 0.00 -0.52 0.00 0.00 57.07 56.07 2rtn s TYR 22 Cb -0.10 -0.45 0.01 0.00 0.38 0.00 0.00 41.96 41.80 2rtn s TYR 22 CO 0.02 -0.06 0.20 0.54 -1.52 0.00 0.00 175.55 174.73 2rtn s ASN 23 N -1.68 4.39 0.59 -0.18 2.20 -1.10 -0.34 114.94 118.82 2rtn s ASN 23 Ca -0.08 -1.42 0.29 0.00 -0.94 0.00 0.00 52.86 50.71 2rtn s ASN 23 Cb -0.09 0.40 1.68 0.00 -2.00 0.00 0.00 41.25 41.24 2rtn s ASN 23 CO 0.00 -0.95 2.11 0.06 -2.94 0.00 0.00 177.10 175.38 2rtn h GLN 24 N 1.07 0.00 0.00 3.55 -0.00 -1.91 0.73 115.11 118.56 2rtn h GLN 24 Ca -0.40 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.25 2rtn h GLN 24 Cb 1.30 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 28.78 2rtn h GLN 24 CO 0.66 0.00 -0.23 1.28 -0.00 0.00 0.00 178.83 180.54 2rtn n LEU 25 N -3.76 0.64 0.00 0.06 4.77 -1.26 -4.95 117.00 112.49 2rtn n LEU 25 Ca 0.01 0.41 0.00 0.00 -0.03 0.00 0.00 56.01 56.41 2rtn n LEU 25 Cb 0.32 -0.30 0.00 0.00 -2.33 0.00 0.00 43.42 41.11 2rtn n LEU 25 CO 0.27 -0.09 0.00 0.61 -1.33 0.00 0.00 177.39 176.85 2rtn n GLY 26 N 1.36 0.89 3.90 -0.72 0.00 0.25 -4.74 105.19 106.13 2rtn n GLY 26 Ca 0.05 -0.15 -0.29 0.00 0.00 0.00 0.00 46.02 45.63 2rtn n GLY 26 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2rtn s SER 27 N -2.14 6.46 -0.04 1.61 0.01 -1.26 -4.51 113.70 113.83 2rtn s SER 27 Ca 0.00 0.84 0.01 0.00 1.31 0.00 0.00 55.95 58.12 2rtn s SER 27 Cb 0.00 -2.20 -0.03 0.00 0.21 0.00 0.00 66.02 64.00 2rtn s SER 27 CO 0.00 -0.28 -0.04 -0.89 0.41 0.00 0.00 173.24 172.44 2rtn s THR 28 N -2.21 3.91 -0.07 1.44 2.01 0.58 -2.70 115.64 118.60 2rtn s THR 28 Ca 0.46 -0.54 -0.01 0.00 0.31 0.00 0.00 61.69 61.91 2rtn s THR 28 Cb -0.10 -2.67 0.03 0.00 0.01 0.00 0.00 72.50 69.76 2rtn s THR 28 CO 0.31 0.49 -0.00 0.12 -0.69 0.00 0.00 174.62 174.85 2rtn s PHE 29 N -0.94 0.64 -0.19 4.92 5.36 -0.32 -0.54 117.98 126.91 2rtn s PHE 29 Ca 0.16 -0.15 -0.00 0.00 -0.96 0.00 0.00 56.93 55.97 2rtn s PHE 29 Cb -0.11 -0.76 0.01 0.00 -0.34 0.00 0.00 43.02 41.82 2rtn s PHE 29 CO 0.05 -0.30 -0.15 0.42 -1.46 0.00 0.00 175.22 173.78 2rtn s ILE 30 N 1.83 2.49 0.05 3.12 -1.09 -0.02 -1.05 121.20 126.53 2rtn s ILE 30 Ca 0.03 -0.80 0.00 0.00 -2.23 0.00 0.00 60.65 57.65 2rtn s ILE 30 Cb -0.12 -2.07 -0.03 0.00 -1.58 0.00 0.00 42.46 38.65 2rtn s ILE 30 CO -0.05 0.50 -0.05 0.54 -1.23 0.00 0.00 174.94 174.66 2rtn s VAL 31 N 1.31 0.36 -0.06 2.92 0.11 -1.04 -1.37 120.40 122.62 2rtn s VAL 31 Ca 0.04 -1.47 0.00 0.00 -2.93 0.00 0.00 61.98 57.63 2rtn s VAL 31 Cb -0.14 -1.06 0.02 0.00 -1.53 0.00 0.00 36.38 33.68 2rtn s VAL 31 CO -0.09 -0.73 -0.04 -0.89 -3.33 0.00 0.00 175.10 170.02 2rtn s THR 32 N -2.74 0.60 -0.30 5.04 2.01 -0.13 -2.13 115.64 117.99 2rtn s THR 32 Ca -0.01 -0.10 -0.13 0.00 0.31 0.00 0.00 61.69 61.77 2rtn s THR 32 Cb -0.01 -0.65 -0.03 0.00 0.01 0.00 0.00 72.50 71.82 2rtn s THR 32 CO -0.05 0.26 0.25 0.00 -0.69 0.00 0.00 174.62 174.40 2rtn s ALA 33 N 1.31 3.52 0.40 7.40 0.00 -1.26 -2.08 121.76 131.05 2rtn s ALA 33 Ca -0.05 -1.16 -0.17 0.00 0.00 0.00 0.00 51.96 50.58 2rtn s ALA 33 Cb -0.14 -2.61 -0.09 0.00 0.00 0.00 0.00 23.12 20.28 2rtn s ALA 33 CO -0.02 -0.76 0.86 0.20 0.00 0.00 0.00 175.76 176.04 2rtn s GLY 34 N 1.73 2.29 0.53 0.00 0.00 0.11 -4.70 107.32 107.28 2rtn s GLY 34 Ca 0.08 0.19 0.27 0.00 0.00 0.00 0.00 44.72 45.26 2rtn s GLY 34 CO 0.11 0.43 1.97 0.00 0.00 0.00 0.00 173.10 175.60 2rtn h ALA 35 N 1.87 2.59 0.00 3.20 0.00 -1.98 -0.64 119.26 124.30 2rtn h ALA 35 Ca -0.48 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.41 2rtn h ALA 35 Cb 1.18 0.05 0.00 0.00 0.00 0.00 0.00 17.79 19.01 2rtn h ALA 35 CO 0.63 -0.77 0.00 -0.40 0.00 0.00 0.00 179.25 178.71 2rtn n ASP 36 N -4.35 0.00 0.00 0.00 5.75 -1.26 -4.85 116.55 111.84 2rtn n ASP 36 Ca 0.12 -1.17 0.00 0.00 -0.01 0.00 0.00 54.79 53.73 2rtn n ASP 36 Cb 0.70 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.79 2rtn n ASP 36 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2rtn n GLY 37 N 0.67 0.90 3.89 6.12 0.00 -0.25 -5.01 105.19 111.50 2rtn n GLY 37 Ca 0.15 -0.03 -0.30 0.00 0.00 0.00 0.00 46.02 45.84 2rtn n GLY 37 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2rtn s ALA 38 N -2.00 3.65 -0.05 4.61 0.00 -1.18 -1.34 121.76 125.45 2rtn s ALA 38 Ca 0.00 -0.47 0.01 0.00 0.00 0.00 0.00 51.96 51.49 2rtn s ALA 38 Cb 0.00 -2.30 0.02 0.00 0.00 0.00 0.00 23.12 20.84 2rtn s ALA 38 CO 0.00 0.42 -0.05 -0.51 0.00 0.00 0.00 175.76 175.62 2rtn s LEU 39 N -3.12 1.31 0.04 0.00 1.43 -0.41 0.06 118.68 117.99 2rtn s LEU 39 Ca 0.44 -0.16 0.01 0.00 -1.03 0.00 0.00 54.13 53.39 2rtn s LEU 39 Cb -0.11 -0.53 -0.03 0.00 0.03 0.00 0.00 46.19 45.56 2rtn s LEU 39 CO 0.26 -0.06 -0.06 0.42 0.23 0.00 0.00 176.35 177.15 2rtn s THR 40 N 1.01 0.37 -1.66 5.49 -4.23 -0.88 -1.43 115.64 114.31 2rtn s THR 40 Ca -0.09 -1.16 0.00 0.00 -1.18 0.00 0.00 61.69 59.25 2rtn s THR 40 Cb -0.14 -0.67 0.00 0.00 1.34 0.00 0.00 72.50 73.03 2rtn s THR 40 CO -0.00 -0.52 0.00 0.61 -0.54 0.00 0.00 174.62 174.16 2rtn n GLY 41 N 1.25 -0.92 3.16 3.99 0.00 -0.92 -0.95 105.19 110.80 2rtn n GLY 41 Ca -0.21 -0.86 -0.22 0.00 0.00 0.00 0.00 46.02 44.73 2rtn n GLY 41 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2rtn s THR 42 N -3.00 1.24 -0.00 2.61 -4.23 -0.47 -0.42 115.64 111.36 2rtn s THR 42 Ca 0.00 -0.95 0.08 0.00 -1.18 0.00 0.00 61.69 59.64 2rtn s THR 42 Cb 0.00 -1.09 -0.02 0.00 1.34 0.00 0.00 72.50 72.72 2rtn s THR 42 CO 0.00 0.12 -0.25 -0.47 -0.54 0.00 0.00 174.62 173.48 2rtn s TYR 43 N -0.72 2.35 -0.17 3.99 6.14 -0.22 -0.84 117.35 127.89 2rtn s TYR 43 Ca 0.04 -0.41 -0.00 0.00 0.64 0.00 0.00 57.07 57.33 2rtn s TYR 43 Cb -0.08 -1.47 0.04 0.00 0.42 0.00 0.00 41.96 40.87 2rtn s TYR 43 CO 0.01 0.03 -0.08 -2.00 0.64 0.00 0.00 175.55 174.15 2rtn s GLU 44 N -0.82 1.68 -0.14 4.97 2.12 0.29 -1.19 118.70 125.61 2rtn s GLU 44 Ca 0.11 -0.58 -0.05 0.00 0.36 0.00 0.00 54.97 54.80 2rtn s GLU 44 Cb -0.10 -2.08 -0.04 0.00 0.26 0.00 0.00 34.13 32.17 2rtn s GLU 44 CO 0.00 -0.40 0.05 0.45 -0.54 0.00 0.00 175.26 174.82 2rtn s SER 45 N 1.57 5.56 0.05 -1.70 0.15 -1.26 -0.31 113.70 117.76 2rtn s SER 45 Ca 0.01 0.14 0.25 0.00 0.70 0.00 0.00 55.95 57.05 2rtn s SER 45 Cb -0.15 -1.83 1.01 0.00 -1.71 0.00 0.00 66.02 63.34 2rtn s SER 45 CO -0.08 0.27 1.78 0.00 1.20 0.00 0.00 173.24 176.41 2rtn n ALA 46 N 2.90 2.11 -2.26 5.45 0.00 -1.26 -4.86 120.51 122.59 2rtn n ALA 46 Ca -0.18 -0.07 -0.09 0.00 0.00 0.00 0.00 53.44 53.11 2rtn n ALA 46 Cb 0.53 -1.41 -0.09 0.00 0.00 0.00 0.00 19.45 18.48 2rtn n ALA 46 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.50 177.64 2rtn s VAL 47 N -3.03 0.13 0.00 0.00 -7.23 -1.26 -5.04 120.40 103.96 2rtn s VAL 47 Ca 0.11 -1.73 0.00 0.00 -1.81 0.00 0.00 61.98 58.55 2rtn s VAL 47 Cb 0.15 -1.81 0.00 0.00 0.56 0.00 0.00 36.38 35.28 2rtn s VAL 47 CO 0.46 -0.59 0.00 0.61 -0.31 0.00 0.00 175.10 175.27 2rtn n GLY 48 N -0.06 -2.25 3.49 2.32 0.00 -1.26 -4.65 105.19 102.78 2rtn n GLY 48 Ca -0.09 -1.77 -0.43 0.00 0.00 0.00 0.00 46.02 43.73 2rtn n GLY 48 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 2rtn n ASN 49 N 0.25 5.04 -3.74 1.61 5.15 -1.26 -4.90 115.26 117.42 2rtn n ASN 49 Ca 0.00 -2.95 -0.12 0.00 -0.60 0.00 0.00 54.58 50.91 2rtn n ASN 49 Cb 0.00 -1.67 -0.12 0.00 -0.53 0.00 0.00 39.78 37.46 2rtn n ASN 49 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 2rtn s ALA 50 N 2.99 -0.70 -0.06 5.20 0.00 -1.26 -4.53 121.76 123.40 2rtn s ALA 50 Ca 0.49 1.05 -0.03 0.00 0.00 0.00 0.00 51.96 53.47 2rtn s ALA 50 Cb 0.02 -0.64 0.04 0.00 0.00 0.00 0.00 23.12 22.53 2rtn s ALA 50 CO 0.04 -0.19 0.11 -1.83 0.00 0.00 0.00 175.76 173.89 2rtn s GLU 51 N 0.95 -0.01 2.10 0.00 -1.05 -1.26 -4.93 118.70 114.50 2rtn s GLU 51 Ca -0.07 0.45 0.00 0.00 -0.15 0.00 0.00 54.97 55.20 2rtn s GLU 51 Cb -0.07 -0.36 0.00 0.00 -0.44 0.00 0.00 34.13 33.26 2rtn s GLU 51 CO -0.07 -0.29 0.00 0.45 0.95 0.00 0.00 175.26 176.30 2rtn n SER 52 N 5.14 -0.62 -4.90 0.83 2.88 -1.26 -4.69 113.62 111.00 2rtn n SER 52 Ca -0.08 0.00 -0.28 0.00 -1.33 0.00 0.00 58.87 57.19 2rtn n SER 52 Cb 0.50 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.96 2rtn n SER 52 CO 0.00 0.00 0.00 -0.13 -1.23 0.00 0.00 175.04 173.68 2rtn s ARG 53 N 0.00 3.50 0.05 -1.46 0.52 -1.26 -4.58 118.95 115.72 2rtn s ARG 53 Ca 0.00 0.28 0.02 0.00 -0.52 0.00 0.00 55.73 55.51 2rtn s ARG 53 Cb 0.00 -2.31 -0.03 0.00 0.52 0.00 0.00 34.95 33.13 2rtn s ARG 53 CO 0.00 -0.31 -0.08 0.71 0.02 0.00 0.00 175.30 175.64 2rtn s TYR 54 N -2.84 0.74 0.32 -0.53 1.51 -0.34 -4.86 117.35 111.35 2rtn s TYR 54 Ca 0.49 -0.56 -0.28 0.00 -1.01 0.00 0.00 57.07 55.71 2rtn s TYR 54 Cb -0.10 -0.44 -0.09 0.00 -0.11 0.00 0.00 41.96 41.22 2rtn s TYR 54 CO 0.47 -0.09 1.09 0.08 -1.11 0.00 0.00 175.55 175.99 2rtn s VAL 55 N -1.74 3.52 0.08 0.71 1.01 -1.26 -1.05 120.40 121.66 2rtn s VAL 55 Ca -0.06 1.40 0.06 0.00 0.00 0.00 0.00 61.98 63.38 2rtn s VAL 55 Cb -0.08 -3.84 -0.03 0.00 0.00 0.00 0.00 36.38 32.44 2rtn s VAL 55 CO -0.00 0.24 -0.17 -1.48 0.00 0.00 0.00 175.10 173.68 2rtn s LEU 56 N -1.87 2.26 -0.08 3.92 0.05 0.44 -4.41 118.68 118.99 2rtn s LEU 56 Ca 0.49 -0.61 -0.07 0.00 0.05 0.00 0.00 54.13 53.99 2rtn s LEU 56 Cb -0.29 -0.70 0.02 0.00 -2.05 0.00 0.00 46.19 43.17 2rtn s LEU 56 CO 0.37 0.01 0.21 0.28 -0.55 0.00 0.00 176.35 176.67 2rtn s THR 57 N -1.14 -0.00 0.07 5.48 -1.32 -1.13 -2.16 115.64 115.43 2rtn s THR 57 Ca 0.02 0.01 -0.05 0.00 -1.21 0.00 0.00 61.69 60.46 2rtn s THR 57 Cb -0.10 -0.30 0.02 0.00 -1.51 0.00 0.00 72.50 70.62 2rtn s THR 57 CO 0.03 0.01 0.27 0.61 -2.21 0.00 0.00 174.62 173.32 2rtn n GLY 58 N 3.08 1.30 3.04 6.08 0.00 -0.51 -0.93 105.19 117.25 2rtn n GLY 58 Ca -0.14 -1.01 -0.08 0.00 0.00 0.00 0.00 46.02 44.79 2rtn n GLY 58 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2rtn s ARG 59 N -2.02 0.49 0.03 1.61 1.81 -0.59 -1.28 118.95 119.00 2rtn s ARG 59 Ca 0.06 -0.96 0.00 0.00 -1.72 0.00 0.00 55.73 53.11 2rtn s ARG 59 Cb -0.01 0.16 -0.03 0.00 -0.45 0.00 0.00 34.95 34.62 2rtn s ARG 59 CO 0.02 -0.08 -0.04 1.52 -0.68 0.00 0.00 175.30 176.04 2rtn s TYR 60 N -2.87 0.42 -0.57 -0.53 1.13 -0.45 -1.96 117.35 112.53 2rtn s TYR 60 Ca -0.03 -0.64 -0.19 0.00 -1.41 0.00 0.00 57.07 54.80 2rtn s TYR 60 Cb 0.00 -0.29 0.09 0.00 -1.10 0.00 0.00 41.96 40.66 2rtn s TYR 60 CO -0.06 -0.20 0.71 0.34 -2.51 0.00 0.00 175.55 173.82 2rtn s ASP 61 N -1.84 6.20 -1.13 -0.18 3.68 -0.51 -4.64 116.67 118.25 2rtn s ASP 61 Ca -0.09 -1.21 -0.25 0.00 2.13 0.00 0.00 52.55 53.12 2rtn s ASP 61 Cb -0.06 -2.31 -0.17 0.00 -1.45 0.00 0.00 42.92 38.93 2rtn s ASP 61 CO -0.03 -1.08 2.04 -0.44 0.13 0.00 0.00 175.17 175.80 2rtn s SER 62 N 3.33 4.07 0.06 -0.34 0.01 -1.26 -4.54 113.70 115.02 2rtn s SER 62 Ca 0.14 -1.28 -0.31 0.00 1.31 0.00 0.00 55.95 55.82 2rtn s SER 62 Cb -0.22 -2.60 -0.05 0.00 0.21 0.00 0.00 66.02 63.36 2rtn s SER 62 CO 0.09 -4.10 1.17 0.00 0.41 0.00 0.00 173.24 170.81 2rtn s ALA 63 N 14.65 3.37 -0.18 1.44 0.00 -1.26 -4.97 121.76 134.81 2rtn s ALA 63 Ca 0.76 0.82 -0.29 0.00 0.00 0.00 0.00 51.96 53.25 2rtn s ALA 63 Cb -0.03 -3.43 -0.06 0.00 0.00 0.00 0.00 23.12 19.60 2rtn s ALA 63 CO 0.16 -0.41 2.18 -0.35 0.00 0.00 0.00 175.76 177.35 2rtn n PRO 64 N 3.87 2.09 -3.52 0.00 -0.04 -1.26 -4.88 135.00 131.27 2rtn n PRO 64 Ca 0.08 0.61 -0.28 0.00 -0.04 0.00 0.00 63.50 63.87 2rtn n PRO 64 Cb 0.47 -3.18 -0.14 0.00 -0.04 0.00 0.00 33.50 30.61 2rtn n PRO 64 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2rtn s ALA 65 N 7.65 0.63 -2.08 0.55 0.00 -1.26 -4.98 121.76 122.26 2rtn s ALA 65 Ca 0.99 -1.22 0.18 0.00 0.00 0.00 0.00 51.96 51.92 2rtn s ALA 65 Cb -0.37 -1.46 0.51 0.00 0.00 0.00 0.00 23.12 21.81 2rtn s ALA 65 CO 0.37 -1.75 1.43 0.25 0.00 0.00 0.00 175.76 176.05 2rtn n THR 66 N 4.99 0.68 1.12 0.00 -2.24 -1.26 -4.35 114.28 113.23 2rtn n THR 66 Ca -0.02 -0.72 0.12 0.00 -2.27 0.00 0.00 64.05 61.16 2rtn n THR 66 Cb 0.41 0.45 0.20 0.00 -2.10 0.00 0.00 70.33 69.29 2rtn n THR 66 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 2rtn n ASP 67 N 1.13 2.50 -0.89 3.42 5.68 -1.26 -4.94 116.55 122.19 2rtn n ASP 67 Ca 0.19 -1.80 -0.08 0.00 -0.50 0.00 0.00 54.79 52.59 2rtn n ASP 67 Cb 0.48 0.05 -0.01 0.00 -1.14 0.00 0.00 41.12 40.50 2rtn n ASP 67 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2rtn n GLY 68 N 1.32 0.17 3.88 6.12 0.00 -1.26 -5.01 105.19 110.41 2rtn n GLY 68 Ca 0.15 -0.56 -0.31 0.00 0.00 0.00 0.00 46.02 45.30 2rtn n GLY 68 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2rtn s SER 69 N -2.67 6.56 0.63 1.61 0.01 -1.26 -5.09 113.70 113.49 2rtn s SER 69 Ca 0.00 0.87 -0.11 0.00 1.31 0.00 0.00 55.95 58.02 2rtn s SER 69 Cb 0.00 -2.21 -0.03 0.00 0.21 0.00 0.00 66.02 63.99 2rtn s SER 69 CO 0.00 -0.13 1.04 -0.83 0.41 0.00 0.00 173.24 173.72 2rtn s GLY 70 N -2.66 1.66 -0.09 3.44 0.00 -1.26 -4.97 107.32 103.44 2rtn s GLY 70 Ca 0.46 -0.07 -0.23 0.00 0.00 0.00 0.00 44.72 44.89 2rtn s GLY 70 CO 0.25 0.21 0.67 -1.59 0.00 0.00 0.00 173.10 172.63 2rtn s THR 71 N -3.16 5.06 0.10 0.90 2.01 0.28 -4.80 115.64 116.02 2rtn s THR 71 Ca 0.56 1.36 -0.28 0.00 0.31 0.00 0.00 61.69 63.64 2rtn s THR 71 Cb -0.11 -4.00 -0.06 0.00 0.01 0.00 0.00 72.50 68.33 2rtn s THR 71 CO 0.54 0.24 0.88 0.00 -0.69 0.00 0.00 174.62 175.59 2rtn s ALA 72 N 0.92 3.31 0.25 7.40 0.00 -1.26 -0.87 121.76 131.50 2rtn s ALA 72 Ca 0.35 0.46 -0.08 0.00 0.00 0.00 0.00 51.96 52.69 2rtn s ALA 72 Cb -0.17 -3.15 -0.01 0.00 0.00 0.00 0.00 23.12 19.79 2rtn s ALA 72 CO 0.16 0.04 0.39 -0.48 0.00 0.00 0.00 175.76 175.87 2rtn s LEU 73 N -0.17 0.65 -0.03 0.00 -0.00 -0.49 -1.42 118.68 117.21 2rtn s LEU 73 Ca 0.43 -1.14 -0.29 0.00 -0.00 0.00 0.00 54.13 53.13 2rtn s LEU 73 Cb -0.22 1.35 0.09 0.00 -0.00 0.00 0.00 46.19 47.41 2rtn s LEU 73 CO 0.27 -1.09 0.80 -0.83 -0.00 0.00 0.00 176.35 175.51 2rtn s GLY 74 N -3.09 -0.47 0.05 -3.48 0.00 -0.83 -1.51 107.32 97.99 2rtn s GLY 74 Ca 0.28 1.29 -0.19 0.00 0.00 0.00 0.00 44.72 46.11 2rtn s GLY 74 CO 0.12 0.69 0.44 0.66 0.00 0.00 0.00 173.10 175.00 2rtn s TRP 75 N -2.08 -0.30 0.08 1.90 -2.14 -0.86 -1.55 118.94 114.00 2rtn s TRP 75 Ca -0.03 0.26 0.08 0.00 2.66 0.00 0.00 56.10 59.07 2rtn s TRP 75 Cb -0.01 0.25 -0.04 0.00 -3.10 0.00 0.00 33.47 30.58 2rtn s TRP 75 CO -0.01 -0.60 -0.17 0.99 -2.66 0.00 0.00 176.95 174.50 2rtn s THR 76 N -2.57 2.89 -0.09 0.66 2.01 -0.10 -1.46 115.64 116.97 2rtn s THR 76 Ca -0.05 -1.31 -0.01 0.00 0.31 0.00 0.00 61.69 60.63 2rtn s THR 76 Cb -0.01 -2.28 0.03 0.00 0.01 0.00 0.00 72.50 70.26 2rtn s THR 76 CO -0.03 0.22 -0.02 -0.69 -0.69 0.00 0.00 174.62 173.41 2rtn s VAL 77 N -1.04 0.61 -0.09 3.82 1.01 -0.81 -2.85 120.40 121.05 2rtn s VAL 77 Ca 0.17 -0.06 -0.16 0.00 0.00 0.00 0.00 61.98 61.93 2rtn s VAL 77 Cb -0.11 -0.74 -0.05 0.00 0.00 0.00 0.00 36.38 35.49 2rtn s VAL 77 CO 0.08 0.28 0.42 0.00 0.00 0.00 0.00 175.10 175.87 2rtn s ALA 78 N 1.87 3.56 -1.37 5.51 0.00 -1.26 -1.44 121.76 128.64 2rtn s ALA 78 Ca 0.05 -0.25 -0.09 0.00 0.00 0.00 0.00 51.96 51.66 2rtn s ALA 78 Cb -0.13 -2.52 0.10 0.00 0.00 0.00 0.00 23.12 20.57 2rtn s ALA 78 CO -0.06 0.15 2.22 0.91 0.00 0.00 0.00 175.76 178.98 2rtn n TRP 79 N 3.14 2.86 -3.73 0.00 7.02 -0.26 -4.81 117.44 121.67 2rtn n TRP 79 Ca -0.10 -2.87 -0.14 0.00 -1.02 0.00 0.00 57.50 53.37 2rtn n TRP 79 Cb 0.52 -2.09 -0.15 0.00 -2.42 0.00 0.00 31.31 27.17 2rtn n TRP 79 CO 0.00 0.00 0.00 0.21 -2.02 0.00 0.00 177.69 175.88 2rtn s LYS 80 N 0.65 0.08 0.00 -0.99 2.20 -1.26 -0.70 119.74 119.72 2rtn s LYS 80 Ca 0.49 0.43 0.00 0.00 -0.36 0.00 0.00 55.97 56.53 2rtn s LYS 80 Cb 0.14 -0.20 0.00 0.00 -1.51 0.00 0.00 37.83 36.26 2rtn s LYS 80 CO -0.05 -0.20 0.00 0.27 -0.36 0.00 0.00 175.35 175.01 2rtn n ASN 81 N 4.50 0.00 0.00 1.43 0.23 0.42 -4.82 115.26 117.03 2rtn n ASN 81 Ca -0.21 -0.87 0.12 0.00 -0.53 0.00 0.00 54.58 53.08 2rtn n ASN 81 Cb 0.51 0.00 0.52 0.00 -2.08 0.00 0.00 39.78 38.73 2rtn n ASN 81 CO 0.00 0.00 0.00 0.59 -0.93 0.00 0.00 177.26 176.92 2rtn n ASN 82 N -2.62 0.00 -0.09 0.53 5.03 -1.26 -3.73 115.26 113.13 2rtn n ASN 82 Ca 0.00 0.46 -0.11 0.00 0.87 0.00 0.00 54.58 55.81 2rtn n ASN 82 Cb 0.00 -0.49 -0.09 0.00 -1.02 0.00 0.00 39.78 38.18 2rtn n ASN 82 CO 0.00 0.00 0.00 -1.22 -1.83 0.00 0.00 177.26 174.21 2rtn n TYR 83 N -1.49 0.00 -4.08 3.10 4.01 -1.26 -5.06 117.16 112.38 2rtn n TYR 83 Ca 0.06 0.00 -0.09 0.00 -0.16 0.00 0.00 57.90 57.71 2rtn n TYR 83 Cb 0.28 -0.71 -0.10 0.00 -0.31 0.00 0.00 39.34 38.49 2rtn n TYR 83 CO 0.00 0.00 0.00 1.03 -0.46 0.00 0.00 176.86 177.43 2rtn s ARG 84 N -2.36 0.59 -0.28 -0.72 0.52 -1.24 -5.07 118.95 110.40 2rtn s ARG 84 Ca -0.19 -1.05 -0.03 0.00 -0.52 0.00 0.00 55.73 53.94 2rtn s ARG 84 Cb 0.06 0.00 0.09 0.00 0.52 0.00 0.00 34.95 35.62 2rtn s ARG 84 CO 0.48 -0.05 0.11 1.21 0.02 0.00 0.00 175.30 177.07 2rtn s ASN 85 N -2.44 3.52 0.15 0.23 3.84 -1.26 -0.43 114.94 118.55 2rtn s ASN 85 Ca 0.01 -1.29 0.25 0.00 0.21 0.00 0.00 52.86 52.04 2rtn s ASN 85 Cb 0.01 -0.53 0.51 0.00 -0.55 0.00 0.00 41.25 40.69 2rtn s ASN 85 CO -0.05 -0.41 1.48 0.00 -2.79 0.00 0.00 177.10 175.33 2rtn n ALA 86 N 5.10 2.71 -3.07 1.71 0.00 0.12 -4.97 120.51 122.12 2rtn n ALA 86 Ca -0.05 -0.17 -0.22 0.00 0.00 0.00 0.00 53.44 53.00 2rtn n ALA 86 Cb 0.43 -1.27 0.04 0.00 0.00 0.00 0.00 19.45 18.65 2rtn n ALA 86 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 2rtn n HIS 87 N -2.15 -2.03 -4.10 0.00 -0.00 -1.26 -4.93 115.22 100.74 2rtn n HIS 87 Ca 0.04 0.57 -0.10 0.00 -0.00 0.00 0.00 57.72 58.23 2rtn n HIS 87 Cb 0.43 -4.50 -0.09 0.00 -0.00 0.00 0.00 29.99 25.84 2rtn n HIS 87 CO 0.00 0.00 0.00 -1.54 -0.00 0.00 0.00 176.34 174.80 2rtn s SER 88 N -2.79 0.18 -0.04 0.41 1.04 -1.26 -2.16 113.70 109.08 2rtn s SER 88 Ca 0.33 -1.14 -0.02 0.00 0.48 0.00 0.00 55.95 55.59 2rtn s SER 88 Cb -0.15 0.37 0.02 0.00 0.10 0.00 0.00 66.02 66.36 2rtn s SER 88 CO 0.41 -0.82 0.09 0.00 0.98 0.00 0.00 173.24 173.90 2rtn s ALA 89 N -4.05 -0.18 -0.06 5.32 0.00 -0.82 -1.10 121.76 120.86 2rtn s ALA 89 Ca 0.25 0.36 0.03 0.00 0.00 0.00 0.00 51.96 52.60 2rtn s ALA 89 Cb 0.06 -0.24 -0.03 0.00 0.00 0.00 0.00 23.12 22.92 2rtn s ALA 89 CO 0.04 -0.08 -0.12 0.99 0.00 0.00 0.00 175.76 176.59 2rtn s THR 90 N 0.48 3.21 -0.06 0.00 2.01 -0.52 -1.97 115.64 118.79 2rtn s THR 90 Ca -0.04 -0.66 0.05 0.00 0.31 0.00 0.00 61.69 61.35 2rtn s THR 90 Cb -0.05 -2.28 -0.02 0.00 0.01 0.00 0.00 72.50 70.16 2rtn s THR 90 CO -0.02 0.59 -0.20 0.42 -0.69 0.00 0.00 174.62 174.72 2rtn s THR 91 N -0.64 2.53 -0.09 -0.82 -4.23 -0.69 -1.92 115.64 109.79 2rtn s THR 91 Ca 0.09 -0.90 0.02 0.00 -1.18 0.00 0.00 61.69 59.73 2rtn s THR 91 Cb -0.11 -1.96 -0.02 0.00 1.34 0.00 0.00 72.50 71.74 2rtn s THR 91 CO 0.01 0.57 -0.15 0.26 -0.54 0.00 0.00 174.62 174.77 2rtn s TRP 92 N -0.32 2.72 -0.10 3.99 0.51 -0.54 -2.07 118.94 123.14 2rtn s TRP 92 Ca 0.02 -0.43 0.01 0.00 -2.12 0.00 0.00 56.10 53.58 2rtn s TRP 92 Cb -0.13 -1.72 0.02 0.00 -0.81 0.00 0.00 33.47 30.83 2rtn s TRP 92 CO 0.02 -0.03 -0.13 0.45 -0.51 0.00 0.00 176.95 176.75 2rtn s SER 93 N -0.19 2.22 0.00 2.95 0.15 -0.31 -2.02 113.70 116.49 2rtn s SER 93 Ca -0.00 -0.37 0.00 0.00 0.70 0.00 0.00 55.95 56.28 2rtn s SER 93 Cb -0.13 -0.97 0.00 0.00 -1.71 0.00 0.00 66.02 63.20 2rtn s SER 93 CO 0.03 -0.01 0.00 0.61 1.20 0.00 0.00 173.24 175.07 2rtn n GLY 94 N 4.27 2.08 2.98 9.45 0.00 -0.57 -1.14 105.19 122.26 2rtn n GLY 94 Ca -0.19 -0.87 -0.19 0.00 0.00 0.00 0.00 46.02 44.77 2rtn n GLY 94 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2rtn s GLN 95 N -0.77 0.75 -0.16 1.61 -0.21 -0.30 -1.40 119.66 119.17 2rtn s GLN 95 Ca 0.00 -0.24 -0.09 0.00 0.02 0.00 0.00 55.36 55.05 2rtn s GLN 95 Cb 0.00 -0.72 -0.05 0.00 1.00 0.00 0.00 33.01 33.24 2rtn s GLN 95 CO 0.00 0.10 0.16 -0.47 -2.12 0.00 0.00 175.29 172.95 2rtn s TYR 96 N 0.15 3.50 -0.08 0.91 5.04 -0.05 -0.77 117.35 126.05 2rtn s TYR 96 Ca -0.02 0.45 0.02 0.00 -2.44 0.00 0.00 57.07 55.08 2rtn s TYR 96 Cb -0.07 -2.09 0.02 0.00 0.35 0.00 0.00 41.96 40.17 2rtn s TYR 96 CO 0.00 0.48 -0.12 0.08 -1.34 0.00 0.00 175.55 174.65 2rtn s VAL 97 N -0.24 1.20 0.00 3.14 1.01 0.51 -0.56 120.40 125.46 2rtn s VAL 97 Ca 0.12 -0.48 0.00 0.00 0.00 0.00 0.00 61.98 61.62 2rtn s VAL 97 Cb -0.12 -1.12 0.00 0.00 0.00 0.00 0.00 36.38 35.15 2rtn s VAL 97 CO 0.01 0.38 0.00 0.61 0.00 0.00 0.00 175.10 176.10 2rtn n GLY 98 N 4.09 1.90 0.00 4.51 0.00 -1.26 -0.48 105.19 113.95 2rtn n GLY 98 Ca -0.20 -1.85 0.00 0.00 0.00 0.00 0.00 46.02 43.97 2rtn n GLY 98 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2rtn n GLY 99 N 5.00 -0.83 0.14 -0.02 0.00 -1.26 -4.33 105.19 103.89 2rtn n GLY 99 Ca 0.00 -1.96 -0.13 0.00 0.00 0.00 0.00 46.02 43.94 2rtn n GLY 99 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2rtn h ALA 100 N 0.00 -0.25 -2.64 4.61 0.00 -2.07 -3.37 119.26 115.55 2rtn h ALA 100 Ca 0.00 -0.20 -0.76 0.00 0.00 0.00 0.00 54.91 53.95 2rtn h ALA 100 Cb 0.00 0.10 -0.27 0.00 0.00 0.00 0.00 17.79 17.61 2rtn h ALA 100 CO 0.00 -0.43 -0.15 -1.21 0.00 0.00 0.00 179.25 177.47 2rtn s GLU 101 N -4.34 3.08 0.10 0.00 2.02 -1.26 -5.03 118.70 113.26 2rtn s GLU 101 Ca -0.14 -2.13 -0.26 0.00 0.02 0.00 0.00 54.97 52.45 2rtn s GLU 101 Cb 0.02 -4.20 -0.06 0.00 0.10 0.00 0.00 34.13 29.98 2rtn s GLU 101 CO 0.56 -1.27 0.82 0.00 0.02 0.00 0.00 175.26 175.39 2rtn s ALA 102 N 0.75 3.36 0.09 5.21 0.00 -1.26 -4.79 121.76 125.13 2rtn s ALA 102 Ca 0.11 0.38 0.03 0.00 0.00 0.00 0.00 51.96 52.48 2rtn s ALA 102 Cb -0.20 -3.05 -0.04 0.00 0.00 0.00 0.00 23.12 19.83 2rtn s ALA 102 CO -0.03 0.11 -0.08 1.03 0.00 0.00 0.00 175.76 176.79 2rtn s ARG 103 N -0.38 0.81 -0.15 0.00 1.81 0.37 -3.39 118.95 118.02 2rtn s ARG 103 Ca 0.40 -1.19 0.00 0.00 -1.72 0.00 0.00 55.73 53.22 2rtn s ARG 103 Cb -0.22 -0.36 0.02 0.00 -0.45 0.00 0.00 34.95 33.94 2rtn s ARG 103 CO 0.26 0.03 -0.14 0.42 -0.68 0.00 0.00 175.30 175.19 2rtn s ILE 104 N -2.84 1.59 -0.17 1.52 1.01 -0.72 -0.36 121.20 121.24 2rtn s ILE 104 Ca 0.07 -0.65 -0.06 0.00 0.00 0.00 0.00 60.65 60.00 2rtn s ILE 104 Cb -0.00 -1.49 -0.04 0.00 0.01 0.00 0.00 42.46 40.94 2rtn s ILE 104 CO -0.02 0.46 0.04 0.20 0.00 0.00 0.00 174.94 175.62 2rtn s ASN 105 N 1.48 5.49 0.21 3.58 0.01 0.05 -0.58 114.94 125.19 2rtn s ASN 105 Ca 0.05 0.07 -0.04 0.00 -0.71 0.00 0.00 52.86 52.23 2rtn s ASN 105 Cb -0.13 -1.90 -0.03 0.00 0.41 0.00 0.00 41.25 39.60 2rtn s ASN 105 CO -0.11 0.20 0.21 0.42 -1.51 0.00 0.00 177.10 176.32 2rtn s THR 106 N 0.20 0.00 0.01 1.60 -4.23 0.15 -1.15 115.64 112.22 2rtn s THR 106 Ca 0.03 -1.85 0.03 0.00 -1.18 0.00 0.00 61.69 58.71 2rtn s THR 106 Cb -0.13 -2.42 -0.01 0.00 1.34 0.00 0.00 72.50 71.29 2rtn s THR 106 CO 0.01 -0.01 -0.08 -1.10 -0.54 0.00 0.00 174.62 172.90 2rtn s GLN 107 N -4.12 0.62 0.10 3.99 -0.21 -0.29 -1.71 119.66 118.03 2rtn s GLN 107 Ca 0.35 -0.41 0.04 0.00 0.02 0.00 0.00 55.36 55.36 2rtn s GLN 107 Cb 0.05 -0.57 -0.03 0.00 1.00 0.00 0.00 33.01 33.45 2rtn s GLN 107 CO 0.11 0.15 -0.11 1.67 -2.12 0.00 0.00 175.29 174.99 2rtn s TRP 108 N -0.47 1.12 -0.11 0.91 1.48 -0.56 -1.16 118.94 120.16 2rtn s TRP 108 Ca 0.00 -0.60 0.03 0.00 -1.06 0.00 0.00 56.10 54.47 2rtn s TRP 108 Cb -0.05 -0.61 0.01 0.00 -1.16 0.00 0.00 33.47 31.66 2rtn s TRP 108 CO 0.00 0.03 -0.21 -0.51 -4.06 0.00 0.00 176.95 172.20 2rtn s LEU 109 N -2.31 2.00 -0.29 -4.66 1.43 -0.88 -1.71 118.68 112.25 2rtn s LEU 109 Ca 0.04 -0.52 0.02 0.00 -1.03 0.00 0.00 54.13 52.63 2rtn s LEU 109 Cb -0.04 -1.31 0.07 0.00 0.03 0.00 0.00 46.19 44.93 2rtn s LEU 109 CO 0.01 0.11 -0.04 -0.22 0.23 0.00 0.00 176.35 176.44 2rtn s LEU 110 N 0.59 3.88 -0.17 1.79 0.20 0.21 -1.70 118.68 123.47 2rtn s LEU 110 Ca -0.14 -1.53 -0.10 0.00 0.69 0.00 0.00 54.13 53.05 2rtn s LEU 110 Cb -0.17 -1.62 -0.05 0.00 -0.43 0.00 0.00 46.19 43.93 2rtn s LEU 110 CO 0.04 -0.26 0.17 -0.89 -0.29 0.00 0.00 176.35 175.12 2rtn s THR 111 N 1.11 5.40 -0.02 3.68 2.01 -0.83 -1.32 115.64 125.67 2rtn s THR 111 Ca -0.04 0.28 0.01 0.00 0.31 0.00 0.00 61.69 62.25 2rtn s THR 111 Cb -0.20 -3.49 -0.03 0.00 0.01 0.00 0.00 72.50 68.78 2rtn s THR 111 CO -0.04 0.48 -0.01 -0.44 -0.69 0.00 0.00 174.62 173.91 2rtn s SER 112 N 0.02 5.03 0.16 3.53 0.01 -0.86 -1.95 113.70 119.64 2rtn s SER 112 Ca 0.12 -0.00 -0.31 0.00 1.31 0.00 0.00 55.95 57.07 2rtn s SER 112 Cb -0.12 -1.31 -0.09 0.00 0.21 0.00 0.00 66.02 64.72 2rtn s SER 112 CO 0.01 0.31 1.42 -0.83 0.41 0.00 0.00 173.24 174.55 2rtn s GLY 113 N -1.35 2.03 0.34 3.44 0.00 -0.92 -4.80 107.32 106.07 2rtn s GLY 113 Ca 0.17 1.20 0.04 0.00 0.00 0.00 0.00 44.72 46.13 2rtn s GLY 113 CO 0.08 2.34 0.14 -0.51 0.00 0.00 0.00 173.10 175.15 2rtn s THR 114 N 0.75 0.51 0.86 0.90 -4.23 -1.26 -5.05 115.64 108.12 2rtn s THR 114 Ca 0.63 -2.00 -0.13 0.00 -1.18 0.00 0.00 61.69 59.02 2rtn s THR 114 Cb -0.39 -2.49 0.11 0.00 1.34 0.00 0.00 72.50 71.08 2rtn s THR 114 CO 0.34 0.00 1.18 0.42 -0.54 0.00 0.00 174.62 176.02 2rtn s THR 115 N -3.42 1.99 0.15 3.99 -4.23 -1.26 -4.90 115.64 107.96 2rtn s THR 115 Ca 0.32 0.00 -0.15 0.00 -1.18 0.00 0.00 61.69 60.67 2rtn s THR 115 Cb 0.04 -2.91 0.02 0.00 1.34 0.00 0.00 72.50 71.00 2rtn s THR 115 CO 0.17 0.00 1.75 -0.08 -0.54 0.00 0.00 174.62 175.92 2rtn h GLU 116 N -1.28 0.62 -0.86 3.99 4.81 -2.01 -2.93 114.58 116.92 2rtn h GLU 116 Ca -0.47 -0.08 0.13 0.00 -0.13 0.00 0.00 59.36 58.81 2rtn h GLU 116 Cb 1.32 -0.12 -0.07 0.00 0.63 0.00 0.00 28.75 30.52 2rtn h GLU 116 CO 0.62 0.50 0.56 0.00 -0.73 0.00 0.00 179.01 179.96 2rtn h ALA 117 N 1.08 1.80 -0.63 2.92 0.00 -2.07 -1.68 119.26 120.69 2rtn h ALA 117 Ca 0.16 0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.07 2rtn h ALA 117 Cb 0.07 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 17.72 2rtn h ALA 117 CO -0.02 -0.02 0.00 0.09 0.00 0.00 0.00 179.25 179.30 2rtn n ASN 118 N -4.54 4.12 0.16 0.00 3.02 -1.12 -4.43 115.26 112.48 2rtn n ASN 118 Ca 0.16 -2.26 0.05 0.00 -0.03 0.00 0.00 54.58 52.50 2rtn n ASN 118 Cb 0.42 -0.52 0.51 0.00 -0.61 0.00 0.00 39.78 39.58 2rtn n ASN 118 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2rtn h ALA 119 N 4.11 1.77 0.00 5.41 0.00 -1.16 -2.24 119.26 127.14 2rtn h ALA 119 Ca 0.00 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.83 2rtn h ALA 119 Cb 1.19 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.92 2rtn h ALA 119 CO 0.14 0.18 0.00 0.11 0.00 0.00 0.00 179.25 179.68 2rtn h TRP 120 N 0.17 0.00 -0.23 0.00 5.08 -1.81 -1.14 115.95 118.02 2rtn h TRP 120 Ca 0.04 0.00 -0.01 0.00 1.08 0.00 0.00 58.89 60.00 2rtn h TRP 120 Cb 0.13 0.00 -0.01 0.00 -3.00 0.00 0.00 29.16 26.28 2rtn h TRP 120 CO 0.00 0.00 -0.00 0.36 -1.28 0.00 0.00 178.44 177.52 2rtn n LYS 121 N -2.73 2.63 0.09 0.12 2.85 -0.84 -4.71 118.16 115.57 2rtn n LYS 121 Ca -0.02 -2.83 -0.06 0.00 -1.05 0.00 0.00 58.31 54.35 2rtn n LYS 121 Cb 0.07 -1.80 0.07 0.00 -0.65 0.00 0.00 35.03 32.73 2rtn n LYS 121 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 177.40 178.01 2rtn h SER 122 N 1.50 0.23 -3.38 -5.58 4.64 -1.27 -3.46 113.55 106.23 2rtn h SER 122 Ca 0.01 -0.16 -0.63 0.00 -0.47 0.00 0.00 61.79 60.54 2rtn h SER 122 Cb 1.40 -0.07 -0.20 0.00 -0.31 0.00 0.00 62.40 63.22 2rtn h SER 122 CO 0.20 0.87 -0.63 -0.89 -0.87 0.00 0.00 176.83 175.52 2rtn s THR 123 N -3.51 4.25 0.13 2.95 2.01 -1.26 -2.02 115.64 118.18 2rtn s THR 123 Ca -0.03 -0.22 0.00 0.00 0.31 0.00 0.00 61.69 61.75 2rtn s THR 123 Cb 0.11 -2.91 -0.04 0.00 0.01 0.00 0.00 72.50 69.67 2rtn s THR 123 CO 0.81 0.44 0.29 -0.76 -0.69 0.00 0.00 174.62 174.71 2rtn s LEU 124 N 0.70 4.32 0.05 4.42 1.43 -0.43 -4.89 118.68 124.28 2rtn s LEU 124 Ca 0.01 0.29 0.06 0.00 -1.03 0.00 0.00 54.13 53.45 2rtn s LEU 124 Cb -0.14 -3.01 -0.02 0.00 0.03 0.00 0.00 46.19 43.05 2rtn s LEU 124 CO 0.02 0.08 -0.17 0.54 0.23 0.00 0.00 176.35 177.05 2rtn s VAL 125 N -1.67 1.33 0.00 -1.59 0.11 -1.26 -0.62 120.40 116.70 2rtn s VAL 125 Ca 0.36 -1.15 0.00 0.00 -2.93 0.00 0.00 61.98 58.26 2rtn s VAL 125 Cb -0.12 -1.20 0.00 0.00 -1.53 0.00 0.00 36.38 33.53 2rtn s VAL 125 CO 0.28 0.03 0.00 0.61 -3.33 0.00 0.00 175.10 172.69 2rtn n GLY 126 N 1.72 1.32 3.21 6.54 0.00 -0.69 -4.98 105.19 112.31 2rtn n GLY 126 Ca -0.18 -0.88 -0.13 0.00 0.00 0.00 0.00 46.02 44.83 2rtn n GLY 126 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 2rtn s HIS 127 N -5.26 -0.40 0.05 1.61 -3.43 -1.26 -1.49 115.29 105.11 2rtn s HIS 127 Ca 0.00 0.95 0.05 0.00 -0.80 0.00 0.00 55.06 55.25 2rtn s HIS 127 Cb 0.00 0.14 -0.02 0.00 -1.43 0.00 0.00 32.58 31.26 2rtn s HIS 127 CO 0.00 -0.21 -0.13 -0.51 -2.00 0.00 0.00 174.74 171.89 2rtn s ASP 128 N 0.48 1.54 -0.11 7.38 1.01 -0.69 -4.97 116.67 121.29 2rtn s ASP 128 Ca -0.02 -0.52 0.02 0.00 0.71 0.00 0.00 52.55 52.73 2rtn s ASP 128 Cb -0.04 -0.06 0.02 0.00 1.01 0.00 0.00 42.92 43.84 2rtn s ASP 128 CO -0.02 -0.04 -0.15 -0.89 0.21 0.00 0.00 175.17 174.27 2rtn s THR 129 N -1.06 1.53 -0.13 -1.27 2.01 -1.26 0.33 115.64 115.78 2rtn s THR 129 Ca -0.01 -0.65 -0.04 0.00 0.31 0.00 0.00 61.69 61.29 2rtn s THR 129 Cb -0.09 -1.39 -0.04 0.00 0.01 0.00 0.00 72.50 70.99 2rtn s THR 129 CO 0.02 0.45 0.03 -0.36 -0.69 0.00 0.00 174.62 174.06 2rtn s PHE 130 N 1.02 3.20 -0.12 4.92 0.08 0.26 -3.04 117.98 124.31 2rtn s PHE 130 Ca -0.06 0.10 -0.01 0.00 0.12 0.00 0.00 56.93 57.08 2rtn s PHE 130 Cb -0.15 -1.92 -0.03 0.00 -0.57 0.00 0.00 43.02 40.35 2rtn s PHE 130 CO -0.02 0.30 -0.07 0.99 -0.10 0.00 0.00 175.22 176.32 2rtn s THR 131 N -0.28 3.65 0.28 0.64 2.01 0.54 -1.76 115.64 120.72 2rtn s THR 131 Ca 0.07 -0.46 -0.13 0.00 0.31 0.00 0.00 61.69 61.47 2rtn s THR 131 Cb -0.12 -2.55 -0.08 0.00 0.01 0.00 0.00 72.50 69.76 2rtn s THR 131 CO 0.02 0.54 0.66 -0.75 -0.69 0.00 0.00 174.62 174.40 2rtn s LYS 132 N -0.09 3.94 0.04 4.92 2.20 -1.22 -1.52 119.74 128.02 2rtn s LYS 132 Ca 0.01 0.53 -0.00 0.00 -0.36 0.00 0.00 55.97 56.15 2rtn s LYS 132 Cb -0.13 -2.54 -0.00 0.00 -1.51 0.00 0.00 37.83 33.65 2rtn s LYS 132 CO 0.03 0.23 -0.01 1.55 -0.36 0.00 0.00 175.35 176.79 2rtn n VAL 133 N -0.21 0.59 -4.41 4.02 3.14 -0.51 -4.95 118.33 116.02 2rtn n VAL 133 Ca 0.02 0.20 -0.31 0.00 -2.96 0.00 0.00 64.34 61.29 2rtn n VAL 133 Cb 0.53 -1.31 -0.10 0.00 -1.06 0.00 0.00 33.84 31.90 2rtn n VAL 133 CO 0.00 0.00 0.00 -0.54 -6.46 0.00 0.00 176.83 169.83 2rtn s LYS 134 N -1.49 2.41 0.00 1.45 1.02 -1.25 -4.96 119.74 116.92 2rtn s LYS 134 Ca -0.01 -0.83 0.04 0.00 0.02 0.00 0.00 55.97 55.20 2rtn s LYS 134 Cb 0.00 -2.43 0.23 0.00 -0.52 0.00 0.00 37.83 35.12 2rtn s LYS 134 CO 0.01 0.57 0.71 -0.35 -0.92 0.00 0.00 175.35 175.37