#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2e7m h SER 2 N 0.00 -0.21 -0.15 1.61 0.02 -2.05 -3.36 113.55 109.41 2e7m h SER 2 Ca 0.00 -0.19 -0.00 0.00 -0.84 0.00 0.00 61.79 60.76 2e7m h SER 2 Cb 0.00 0.06 -0.01 0.00 0.14 0.00 0.00 62.40 62.59 2e7m h SER 2 CO 0.00 0.32 0.08 0.28 -1.14 0.00 0.00 176.83 176.37 2e7m h SER 3 N -1.00 0.19 -4.02 3.07 0.02 -2.10 -3.44 113.55 106.27 2e7m h SER 3 Ca -0.03 -0.08 -0.49 0.00 -0.84 0.00 0.00 61.79 60.35 2e7m h SER 3 Cb 0.39 -0.05 0.18 0.00 0.14 0.00 0.00 62.40 63.06 2e7m h SER 3 CO 0.04 0.21 0.20 -0.83 -1.14 0.00 0.00 176.83 175.31 2e7m s GLY 4 N -2.49 1.64 0.53 -3.77 0.00 -1.26 -4.96 107.32 97.02 2e7m s GLY 4 Ca -0.13 0.23 -0.22 0.00 0.00 0.00 0.00 44.72 44.60 2e7m s GLY 4 CO 0.69 0.72 1.28 -0.56 0.00 0.00 0.00 173.10 175.23 2e7m s SER 5 N -2.94 5.51 0.54 1.64 0.01 -1.26 -4.48 113.70 112.71 2e7m s SER 5 Ca 0.65 2.59 -0.21 0.00 1.31 0.00 0.00 55.95 60.29 2e7m s SER 5 Cb -0.21 -2.62 -0.07 0.00 0.21 0.00 0.00 66.02 63.33 2e7m s SER 5 CO 0.59 -1.39 1.01 -1.20 0.41 0.00 0.00 173.24 172.65 2e7m n SER 6 N -0.95 1.09 0.02 2.44 7.64 -1.26 -4.65 113.62 117.95 2e7m n SER 6 Ca 0.10 0.90 0.00 0.00 1.01 0.00 0.00 58.87 60.88 2e7m n SER 6 Cb 0.46 -1.39 0.00 0.00 -1.01 0.00 0.00 64.21 62.27 2e7m n SER 6 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2e7m n GLY 7 N 1.21 -1.81 0.00 0.23 0.00 -1.26 -4.94 105.19 98.61 2e7m n GLY 7 Ca 0.12 0.64 0.07 0.00 0.00 0.00 0.00 46.02 46.85 2e7m n GLY 7 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2e7m n PRO 8 N -2.35 0.27 -4.44 1.61 -0.04 -1.26 -4.65 135.00 124.13 2e7m n PRO 8 Ca 0.00 0.12 -0.20 0.00 -0.04 0.00 0.00 63.50 63.38 2e7m n PRO 8 Cb 0.00 -1.50 -0.15 0.00 -0.04 0.00 0.00 33.50 31.81 2e7m n PRO 8 CO 0.00 0.00 0.00 -0.98 -0.04 0.00 0.00 175.50 174.48 2e7m s ARG 9 N -2.45 0.84 0.20 0.54 1.04 -1.26 -5.15 118.95 112.71 2e7m s ARG 9 Ca 0.16 -0.37 -0.23 0.00 -1.04 0.00 0.00 55.73 54.25 2e7m s ARG 9 Cb 0.10 -0.81 0.05 0.00 -2.04 0.00 0.00 34.95 32.25 2e7m s ARG 9 CO 0.22 0.22 0.87 -0.08 -0.04 0.00 0.00 175.30 176.49 2e7m s THR 10 N -0.24 0.00 0.40 4.99 -1.32 -1.26 -4.98 115.64 113.23 2e7m s THR 10 Ca 0.04 -0.80 0.08 0.00 -1.21 0.00 0.00 61.69 59.80 2e7m s THR 10 Cb -0.04 -2.02 -0.06 0.00 -1.51 0.00 0.00 72.50 68.87 2e7m s THR 10 CO -0.00 0.00 0.12 0.68 -2.21 0.00 0.00 174.62 173.21 2e7m s VAL 11 N -3.50 2.32 -0.14 5.08 -7.23 -1.26 -4.96 120.40 110.70 2e7m s VAL 11 Ca 0.12 -1.79 -0.29 0.00 -1.81 0.00 0.00 61.98 58.20 2e7m s VAL 11 Cb -0.03 -2.97 -0.02 0.00 0.56 0.00 0.00 36.38 33.92 2e7m s VAL 11 CO 0.04 -0.04 1.33 -0.54 -0.31 0.00 0.00 175.10 175.59 2e7m s LYS 12 N -3.84 4.23 -0.39 4.82 1.02 0.68 -4.88 119.74 121.38 2e7m s LYS 12 Ca 0.39 1.75 -0.28 0.00 0.02 0.00 0.00 55.97 57.85 2e7m s LYS 12 Cb 0.04 -3.80 -0.01 0.00 -0.52 0.00 0.00 37.83 33.55 2e7m s LYS 12 CO 0.21 -0.73 1.63 -1.83 -0.92 0.00 0.00 175.35 173.72 2e7m s GLU 13 N 3.56 3.38 -0.12 1.68 -1.05 -1.26 -2.20 118.70 122.68 2e7m s GLU 13 Ca 0.58 1.13 -0.08 0.00 -0.15 0.00 0.00 54.97 56.45 2e7m s GLU 13 Cb -0.24 -4.14 -0.04 0.00 -0.44 0.00 0.00 34.13 29.27 2e7m s GLU 13 CO 0.17 -1.81 0.17 -0.51 0.95 0.00 0.00 175.26 174.23 2e7m s LEU 14 N 6.43 4.37 -0.73 1.83 1.43 -0.93 -4.91 118.68 126.17 2e7m s LEU 14 Ca 0.70 0.49 -0.16 0.00 -1.03 0.00 0.00 54.13 54.13 2e7m s LEU 14 Cb -0.18 -2.13 0.17 0.00 0.03 0.00 0.00 46.19 44.08 2e7m s LEU 14 CO 0.32 0.37 0.75 -0.89 0.23 0.00 0.00 176.35 177.13 2e7m s THR 15 N -0.84 5.25 -0.01 5.49 2.01 -1.09 -4.46 115.64 121.99 2e7m s THR 15 Ca 0.15 -1.85 -0.18 0.00 0.31 0.00 0.00 61.69 60.12 2e7m s THR 15 Cb -0.12 -4.49 -0.05 0.00 0.01 0.00 0.00 72.50 67.84 2e7m s THR 15 CO 0.04 -1.08 0.52 -0.69 -0.69 0.00 0.00 174.62 172.72 2e7m s VAL 16 N 1.32 4.95 -0.16 3.82 1.01 -1.25 -2.49 120.40 127.60 2e7m s VAL 16 Ca 0.15 1.09 -0.08 0.00 0.00 0.00 0.00 61.98 63.14 2e7m s VAL 16 Cb -0.16 -3.85 0.06 0.00 0.00 0.00 0.00 36.38 32.43 2e7m s VAL 16 CO -0.03 0.47 0.37 -0.55 0.00 0.00 0.00 175.10 175.35 2e7m s SER 17 N -0.43 -0.32 0.18 3.32 0.15 0.20 -4.42 113.70 112.38 2e7m s SER 17 Ca 0.28 0.81 0.01 0.00 0.70 0.00 0.00 55.95 57.75 2e7m s SER 17 Cb -0.18 0.82 0.06 0.00 -1.71 0.00 0.00 66.02 65.02 2e7m s SER 17 CO 0.15 -0.20 1.43 0.00 1.20 0.00 0.00 173.24 175.82 2e7m h ALA 18 N 7.49 0.60 0.00 5.45 0.00 -1.85 1.04 119.26 131.99 2e7m h ALA 18 Ca -0.31 -0.64 0.00 0.00 0.00 0.00 0.00 54.91 53.96 2e7m h ALA 18 Cb 1.16 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.88 2e7m h ALA 18 CO 0.26 0.81 0.00 0.41 0.00 0.00 0.00 179.25 180.73 2e7m n GLY 19 N 0.64 1.62 3.59 0.00 0.00 -1.26 -4.23 105.19 105.55 2e7m n GLY 19 Ca -0.04 -0.34 -0.05 0.00 0.00 0.00 0.00 46.02 45.59 2e7m n GLY 19 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2e7m s ASP 20 N -2.40 -0.15 0.27 1.61 2.15 -1.26 -5.14 116.67 111.74 2e7m s ASP 20 Ca 0.00 0.02 -0.30 0.00 0.43 0.00 0.00 52.55 52.71 2e7m s ASP 20 Cb 0.00 0.15 -0.14 0.00 -0.30 0.00 0.00 42.92 42.63 2e7m s ASP 20 CO 0.00 -0.24 1.16 -0.46 -0.17 0.00 0.00 175.17 175.47 2e7m n ASN 21 N -0.01 1.83 -4.36 -0.34 0.23 -1.26 -4.87 115.26 106.48 2e7m n ASN 21 Ca -0.00 1.17 -0.31 0.00 -0.53 0.00 0.00 54.58 54.91 2e7m n ASN 21 Cb 0.58 -1.33 -0.15 0.00 -2.08 0.00 0.00 39.78 36.80 2e7m n ASN 21 CO 0.00 0.00 0.00 -0.76 -0.93 0.00 0.00 177.26 175.57 2e7m s LEU 22 N 0.18 2.25 -0.08 -4.53 2.01 -0.95 -5.05 118.68 112.51 2e7m s LEU 22 Ca 0.63 -0.49 -0.01 0.00 0.01 0.00 0.00 54.13 54.27 2e7m s LEU 22 Cb -0.70 -1.36 0.03 0.00 0.01 0.00 0.00 46.19 44.16 2e7m s LEU 22 CO 0.57 0.29 -0.03 -0.63 1.01 0.00 0.00 176.35 177.56 2e7m s ILE 23 N -0.75 0.58 0.36 -0.59 1.01 -1.26 -1.85 121.20 118.71 2e7m s ILE 23 Ca 0.12 -0.03 0.08 0.00 0.00 0.00 0.00 60.65 60.81 2e7m s ILE 23 Cb -0.10 -0.68 -0.06 0.00 0.01 0.00 0.00 42.46 41.63 2e7m s ILE 23 CO 0.01 0.28 0.06 0.27 0.00 0.00 0.00 174.94 175.57 2e7m s ILE 24 N 1.71 2.52 -0.01 2.92 -4.36 -0.66 -5.00 121.20 118.32 2e7m s ILE 24 Ca 0.02 -1.88 0.02 0.00 -0.26 0.00 0.00 60.65 58.54 2e7m s ILE 24 Cb -0.13 -2.88 -0.00 0.00 1.25 0.00 0.00 42.46 40.70 2e7m s ILE 24 CO -0.05 -0.13 -0.05 -0.89 0.24 0.00 0.00 174.94 174.06 2e7m s THR 25 N -2.55 0.44 0.79 8.37 2.01 -1.25 -0.16 115.64 123.29 2e7m s THR 25 Ca 0.37 -0.23 -0.14 0.00 0.31 0.00 0.00 61.69 62.00 2e7m s THR 25 Cb 0.02 -0.38 0.05 0.00 0.01 0.00 0.00 72.50 72.19 2e7m s THR 25 CO 0.20 0.13 1.00 0.18 -0.69 0.00 0.00 174.62 175.45 2e7m n LEU 26 N 3.03 3.42 0.22 4.42 4.77 -0.67 -2.14 117.00 130.04 2e7m n LEU 26 Ca -0.14 0.59 0.08 0.00 -0.03 0.00 0.00 56.01 56.51 2e7m n LEU 26 Cb 0.57 -1.43 0.47 0.00 -2.33 0.00 0.00 43.42 40.71 2e7m n LEU 26 CO 0.25 -2.10 0.79 1.55 -1.33 0.00 0.00 177.39 176.56 2e7m h PRO 27 N -0.73 0.00 -5.21 3.23 0.13 -1.88 -3.42 132.00 124.11 2e7m h PRO 27 Ca -0.46 0.00 -0.54 0.00 -0.87 0.00 0.00 66.00 64.13 2e7m h PRO 27 Cb 1.31 0.00 -0.07 0.00 0.13 0.00 0.00 31.00 32.37 2e7m h PRO 27 CO 0.45 0.27 1.68 -0.25 -0.23 0.00 0.00 178.00 179.91 2e7m n ASP 28 N -3.56 0.57 -0.36 1.44 8.00 -0.91 -4.73 116.55 117.00 2e7m n ASP 28 Ca -0.01 0.20 0.08 0.00 0.71 0.00 0.00 54.79 55.77 2e7m n ASP 28 Cb 0.41 -0.98 0.18 0.00 -0.02 0.00 0.00 41.12 40.70 2e7m n ASP 28 CO 0.00 0.00 0.00 -0.46 -0.39 0.00 0.00 177.20 176.35 2e7m n ASN 29 N 10.51 2.00 -4.23 -2.24 2.04 -1.26 -3.86 115.26 118.21 2e7m n ASN 29 Ca 0.61 -3.51 -0.29 0.00 -0.44 0.00 0.00 54.58 50.95 2e7m n ASN 29 Cb 0.07 -0.48 -0.16 0.00 -2.53 0.00 0.00 39.78 36.68 2e7m n ASN 29 CO 0.00 0.00 0.00 -1.61 -0.44 0.00 0.00 177.26 175.21 2e7m s GLU 30 N -3.04 2.07 -0.03 -3.83 2.02 -1.26 -3.00 118.70 111.62 2e7m s GLU 30 Ca 0.35 -0.80 -0.05 0.00 0.02 0.00 0.00 54.97 54.49 2e7m s GLU 30 Cb 0.33 -1.86 0.01 0.00 0.10 0.00 0.00 34.13 32.70 2e7m s GLU 30 CO -0.02 0.40 0.12 0.54 0.02 0.00 0.00 175.26 176.32 2e7m s VAL 31 N -0.29 0.02 -0.30 2.63 0.11 -1.19 -4.94 120.40 116.44 2e7m s VAL 31 Ca 0.02 -0.21 -0.03 0.00 -2.93 0.00 0.00 61.98 58.84 2e7m s VAL 31 Cb -0.11 -0.25 0.04 0.00 -1.53 0.00 0.00 36.38 34.54 2e7m s VAL 31 CO 0.01 -0.11 0.01 -0.70 -3.33 0.00 0.00 175.10 170.98 2e7m s GLU 32 N -0.34 2.51 0.28 1.54 2.12 -1.26 -1.21 118.70 122.34 2e7m s GLU 32 Ca -0.04 -1.22 0.02 0.00 0.36 0.00 0.00 54.97 54.10 2e7m s GLU 32 Cb -0.03 -3.21 -0.03 0.00 0.26 0.00 0.00 34.13 31.12 2e7m s GLU 32 CO 0.00 -0.60 0.44 -0.51 -0.54 0.00 0.00 175.26 174.05 2e7m s LEU 33 N 1.29 4.18 -0.05 2.70 1.43 0.00 -4.93 118.68 123.30 2e7m s LEU 33 Ca -0.04 0.27 -0.03 0.00 -1.03 0.00 0.00 54.13 53.30 2e7m s LEU 33 Cb -0.19 -3.08 0.03 0.00 0.03 0.00 0.00 46.19 42.97 2e7m s LEU 33 CO -0.01 -0.16 0.12 -0.75 0.23 0.00 0.00 176.35 175.78 2e7m s LYS 34 N -4.04 0.08 0.10 1.70 2.20 -1.26 -2.07 119.74 116.46 2e7m s LYS 34 Ca 0.37 0.28 -0.12 0.00 -0.36 0.00 0.00 55.97 56.15 2e7m s LYS 34 Cb -0.09 -0.12 -0.06 0.00 -1.51 0.00 0.00 37.83 36.04 2e7m s LYS 34 CO 0.32 -0.13 0.46 0.00 -0.36 0.00 0.00 175.35 175.64 2e7m s ALA 35 N 0.86 3.67 -0.22 3.13 0.00 -1.09 -4.17 121.76 123.93 2e7m s ALA 35 Ca -0.07 -0.28 -0.00 0.00 0.00 0.00 0.00 51.96 51.61 2e7m s ALA 35 Cb -0.09 -2.37 0.06 0.00 0.00 0.00 0.00 23.12 20.72 2e7m s ALA 35 CO -0.04 0.52 -0.03 -0.06 0.00 0.00 0.00 175.76 176.16 2e7m s PHE 36 N -1.42 2.01 -0.16 0.00 0.08 0.36 -4.91 117.98 113.92 2e7m s PHE 36 Ca 0.35 -1.51 0.01 0.00 0.12 0.00 0.00 56.93 55.90 2e7m s PHE 36 Cb -0.14 -1.43 0.01 0.00 -0.57 0.00 0.00 43.02 40.88 2e7m s PHE 36 CO 0.18 -0.73 -0.18 0.54 -0.10 0.00 0.00 175.22 174.94 2e7m s VAL 37 N 1.53 2.38 0.06 -0.44 0.11 -1.25 0.61 120.40 123.39 2e7m s VAL 37 Ca -0.04 -0.86 0.08 0.00 -2.93 0.00 0.00 61.98 58.23 2e7m s VAL 37 Cb -0.18 -2.00 -0.03 0.00 -1.53 0.00 0.00 36.38 32.64 2e7m s VAL 37 CO -0.07 0.52 -0.18 0.00 -3.33 0.00 0.00 175.10 172.05 2e7m s ALA 38 N 1.02 2.64 0.80 1.54 0.00 -1.04 -3.63 121.76 123.09 2e7m s ALA 38 Ca -0.02 -1.24 -0.11 0.00 0.00 0.00 0.00 51.96 50.60 2e7m s ALA 38 Cb -0.15 -0.73 0.07 0.00 0.00 0.00 0.00 23.12 22.32 2e7m s ALA 38 CO -0.05 0.58 1.09 -1.25 0.00 0.00 0.00 175.76 176.14 2e7m s PRO 39 N -1.66 2.03 0.28 0.00 0.04 -1.26 -2.67 135.00 131.75 2e7m s PRO 39 Ca 0.16 1.09 -0.29 0.00 0.04 0.00 0.00 61.00 61.99 2e7m s PRO 39 Cb -0.11 -1.88 -0.09 0.00 0.04 0.00 0.00 34.50 32.46 2e7m s PRO 39 CO 0.07 -1.78 1.14 0.00 0.04 0.00 0.00 177.00 176.47 2e7m s ALA 40 N -2.91 3.42 0.68 8.56 0.00 -1.24 -5.02 121.76 125.25 2e7m s ALA 40 Ca 0.62 0.95 -0.14 0.00 0.00 0.00 0.00 51.96 53.39 2e7m s ALA 40 Cb -0.17 -3.36 0.01 0.00 0.00 0.00 0.00 23.12 19.60 2e7m s ALA 40 CO 0.56 -0.25 1.11 -1.25 0.00 0.00 0.00 175.76 175.93 2e7m s PRO 41 N -1.36 2.69 0.00 0.00 0.04 -1.26 -5.05 135.00 130.06 2e7m s PRO 41 Ca 0.46 1.35 0.00 0.00 0.04 0.00 0.00 61.00 62.85 2e7m s PRO 41 Cb -0.33 -1.94 0.00 0.00 0.04 0.00 0.00 34.50 32.27 2e7m s PRO 41 CO 0.42 -1.33 0.00 -0.35 0.04 0.00 0.00 177.00 175.78 2e7m n PRO 42 N -2.64 -1.00 0.06 0.56 -0.04 -1.23 -4.97 135.00 125.75 2e7m n PRO 42 Ca 0.10 0.00 -0.13 0.00 -0.04 0.00 0.00 63.50 63.43 2e7m n PRO 42 Cb 0.52 0.00 -0.03 0.00 -0.04 0.00 0.00 33.50 33.95 2e7m n PRO 42 CO 0.00 0.00 0.00 -0.24 -0.04 0.00 0.00 175.50 175.22 2e7m h VAL 43 N -1.50 1.39 0.00 0.52 3.04 -2.05 -3.40 116.25 114.25 2e7m h VAL 43 Ca 0.00 -2.37 0.00 0.00 -1.01 0.00 0.00 66.70 63.32 2e7m h VAL 43 Cb 0.00 2.35 0.00 0.00 -2.01 0.00 0.00 31.29 31.63 2e7m h VAL 43 CO 0.00 0.71 0.00 -0.62 -1.01 0.00 0.00 177.57 176.65 2e7m n GLU 44 N -3.77 0.00 -1.82 4.17 1.02 -1.26 -4.86 120.64 114.12 2e7m n GLU 44 Ca -0.06 0.25 -0.42 0.00 -0.02 0.00 0.00 57.16 56.91 2e7m n GLU 44 Cb 0.81 -0.74 -0.02 0.00 -0.02 0.00 0.00 31.44 31.47 2e7m n GLU 44 CO 0.00 0.00 0.00 0.99 1.18 0.00 0.00 177.13 179.30 2e7m s THR 45 N -0.51 2.21 -0.10 2.62 2.01 -1.26 -5.00 115.64 115.60 2e7m s THR 45 Ca 0.00 0.17 -0.03 0.00 0.31 0.00 0.00 61.69 62.14 2e7m s THR 45 Cb 0.00 -3.11 0.05 0.00 0.01 0.00 0.00 72.50 69.45 2e7m s THR 45 CO 0.00 0.02 0.16 0.42 -0.69 0.00 0.00 174.62 174.53 2e7m s THR 46 N 0.34 -0.25 1.17 -0.82 -4.23 -1.26 -3.50 115.64 107.10 2e7m s THR 46 Ca 0.66 0.27 -0.17 0.00 -1.18 0.00 0.00 61.69 61.27 2e7m s THR 46 Cb -0.47 -0.35 0.26 0.00 1.34 0.00 0.00 72.50 73.28 2e7m s THR 46 CO 0.42 0.08 0.57 -1.22 -0.54 0.00 0.00 174.62 173.93 2e7m n TYR 47 N 5.32 -2.91 -5.17 3.99 4.01 -1.26 -5.01 117.16 116.12 2e7m n TYR 47 Ca -0.05 -0.31 -0.32 0.00 -0.16 0.00 0.00 57.90 57.06 2e7m n TYR 47 Cb 0.50 -1.37 -0.15 0.00 -0.31 0.00 0.00 39.34 38.01 2e7m n TYR 47 CO 0.00 0.00 0.00 1.21 -0.46 0.00 0.00 176.86 177.61 2e7m s ASN 48 N -2.39 3.36 -0.29 7.72 2.47 -1.26 -5.07 114.94 119.47 2e7m s ASN 48 Ca 0.47 -0.39 -0.03 0.00 0.42 0.00 0.00 52.86 53.33 2e7m s ASN 48 Cb -0.08 -0.55 0.04 0.00 -1.45 0.00 0.00 41.25 39.20 2e7m s ASN 48 CO 0.40 0.32 -0.00 -0.31 -3.72 0.00 0.00 177.10 173.79 2e7m s TYR 49 N -0.59 3.18 -0.29 0.43 2.02 -1.26 -3.94 117.35 116.90 2e7m s TYR 49 Ca 0.09 -1.62 0.02 0.00 -0.37 0.00 0.00 57.07 55.19 2e7m s TYR 49 Cb -0.11 -2.12 0.08 0.00 -0.40 0.00 0.00 41.96 39.41 2e7m s TYR 49 CO -0.00 -0.75 -0.00 -2.00 -1.57 0.00 0.00 175.55 171.23 2e7m s GLU 50 N 1.32 1.52 0.25 -0.62 2.12 -1.16 -4.27 118.70 117.86 2e7m s GLU 50 Ca -0.02 -1.37 -0.13 0.00 0.36 0.00 0.00 54.97 53.81 2e7m s GLU 50 Cb -0.18 -2.76 -0.08 0.00 0.26 0.00 0.00 34.13 31.37 2e7m s GLU 50 CO -0.01 -0.78 0.63 -1.58 -0.54 0.00 0.00 175.26 172.98 2e7m s TRP 51 N 1.21 3.45 -0.15 5.30 0.52 0.93 -1.24 118.94 128.96 2e7m s TRP 51 Ca 0.02 1.05 -0.16 0.00 0.02 0.00 0.00 56.10 57.03 2e7m s TRP 51 Cb -0.19 -2.40 0.04 0.00 -1.15 0.00 0.00 33.47 29.78 2e7m s TRP 51 CO -0.10 0.23 0.45 -0.80 0.02 0.00 0.00 176.95 176.75 2e7m s ASN 52 N -2.19 -0.45 -0.08 2.95 0.01 -0.58 -4.00 114.94 110.60 2e7m s ASN 52 Ca 0.48 0.83 -0.23 0.00 -0.71 0.00 0.00 52.86 53.24 2e7m s ASN 52 Cb -0.12 0.86 -0.04 0.00 0.41 0.00 0.00 41.25 42.36 2e7m s ASN 52 CO 0.20 -0.20 0.68 -0.22 -1.51 0.00 0.00 177.10 176.04 2e7m s LEU 53 N 0.05 4.30 0.00 0.60 2.96 -1.26 -1.29 118.68 124.04 2e7m s LEU 53 Ca -0.02 1.13 0.00 0.00 -0.22 0.00 0.00 54.13 55.03 2e7m s LEU 53 Cb -0.03 -3.04 0.00 0.00 0.50 0.00 0.00 46.19 43.62 2e7m s LEU 53 CO 0.01 -0.12 0.00 2.30 -1.32 0.00 0.00 176.35 177.23 2e7m n ILE 54 N 3.82 0.00 -3.73 6.68 -5.35 -1.14 -4.98 119.36 114.66 2e7m n ILE 54 Ca -0.02 0.00 -0.38 0.00 -0.27 0.00 0.00 62.75 62.08 2e7m n ILE 54 Cb 0.51 -0.73 -0.12 0.00 -1.74 0.00 0.00 39.64 37.56 2e7m n ILE 54 CO 0.00 0.00 0.00 -0.55 -1.76 0.00 0.00 176.55 174.24 2e7m s SER 55 N -4.23 5.34 -0.08 7.28 0.15 -1.25 -5.00 113.70 115.92 2e7m s SER 55 Ca 0.00 -1.47 -0.25 0.00 0.70 0.00 0.00 55.95 54.93 2e7m s SER 55 Cb 0.00 -1.87 0.06 0.00 -1.71 0.00 0.00 66.02 62.49 2e7m s SER 55 CO 0.00 -0.43 0.57 -1.38 1.20 0.00 0.00 173.24 173.20 2e7m s HIS 56 N 1.33 -0.54 0.36 3.44 -3.43 -1.26 -1.27 115.29 113.93 2e7m s HIS 56 Ca 0.01 1.00 -0.27 0.00 -0.80 0.00 0.00 55.06 55.01 2e7m s HIS 56 Cb -0.21 0.29 -0.09 0.00 -1.43 0.00 0.00 32.58 31.14 2e7m s HIS 56 CO 0.00 -0.49 1.21 -1.25 -2.00 0.00 0.00 174.74 172.21 2e7m s PRO 57 N -0.92 4.24 0.58 -0.38 0.04 -1.25 -4.91 135.00 132.39 2e7m s PRO 57 Ca -0.09 1.97 0.28 0.00 0.04 0.00 0.00 61.00 63.19 2e7m s PRO 57 Cb -0.02 -2.89 1.67 0.00 0.04 0.00 0.00 34.50 33.31 2e7m s PRO 57 CO 0.07 -0.20 2.16 0.00 0.04 0.00 0.00 177.00 179.07 2e7m h THR 58 N 2.67 0.55 -0.14 1.26 1.03 -2.01 -0.34 112.91 115.93 2e7m h THR 58 Ca -0.48 0.00 -0.07 0.00 -0.01 0.00 0.00 66.41 65.85 2e7m h THR 58 Cb 1.23 0.91 -0.01 0.00 -1.07 0.00 0.00 68.15 69.21 2e7m h THR 58 CO 0.64 0.00 -0.21 -0.78 -0.01 0.00 0.00 175.52 175.16 2e7m h ASP 59 N 0.00 0.24 -3.43 0.00 1.82 -2.01 -3.44 116.42 109.60 2e7m h ASP 59 Ca 0.05 -0.06 -0.57 0.00 -0.39 0.00 0.00 57.03 56.06 2e7m h ASP 59 Cb 0.28 -0.06 0.15 0.00 0.68 0.00 0.00 39.33 40.37 2e7m h ASP 59 CO -0.00 0.47 0.15 0.00 -1.61 0.00 0.00 179.24 178.25 2e7m n TYR 60 N -4.20 0.99 0.00 0.28 9.36 -0.14 -4.92 117.16 118.53 2e7m n TYR 60 Ca -0.01 0.47 0.00 0.00 3.32 0.00 0.00 57.90 61.68 2e7m n TYR 60 Cb 0.33 -2.18 0.00 0.00 -0.63 0.00 0.00 39.34 36.86 2e7m n TYR 60 CO 0.00 0.00 0.00 1.04 0.22 0.00 0.00 176.86 178.12 2e7m n GLN 61 N -0.58 1.22 -0.96 2.98 6.02 -1.26 -5.01 117.38 119.79 2e7m n GLN 61 Ca 0.12 0.00 -0.36 0.00 -0.01 0.00 0.00 57.00 56.74 2e7m n GLN 61 Cb 0.45 -0.70 0.05 0.00 1.02 0.00 0.00 30.24 31.06 2e7m n GLN 61 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2e7m n GLY 62 N 1.66 -3.86 2.95 1.08 0.00 -1.26 -4.99 105.19 100.77 2e7m n GLY 62 Ca 0.00 -0.62 -0.21 0.00 0.00 0.00 0.00 46.02 45.19 2e7m n GLY 62 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 2e7m s GLU 63 N -2.24 1.11 0.19 1.61 1.03 -1.26 -5.15 118.70 113.99 2e7m s GLU 63 Ca 0.42 -0.23 -0.04 0.00 0.03 0.00 0.00 54.97 55.15 2e7m s GLU 63 Cb -0.11 -1.01 -0.05 0.00 -0.80 0.00 0.00 34.13 32.16 2e7m s GLU 63 CO 0.76 -0.01 0.42 0.42 -1.33 0.00 0.00 175.26 175.52 2e7m s ILE 64 N 0.70 5.15 -0.37 1.83 1.01 -1.26 -4.96 121.20 123.29 2e7m s ILE 64 Ca -0.11 -0.08 0.08 0.00 0.00 0.00 0.00 60.65 60.54 2e7m s ILE 64 Cb -0.14 -3.68 0.63 0.00 0.01 0.00 0.00 42.46 39.29 2e7m s ILE 64 CO 0.01 -0.09 1.62 0.29 0.00 0.00 0.00 174.94 176.77 2e7m n LYS 65 N -0.34 3.38 -2.33 2.79 5.02 -1.26 -4.88 118.16 120.54 2e7m n LYS 65 Ca -0.03 -2.56 -0.10 0.00 -2.02 0.00 0.00 58.31 53.60 2e7m n LYS 65 Cb 0.53 -2.07 -0.01 0.00 -0.02 0.00 0.00 35.03 33.45 2e7m n LYS 65 CO 0.00 0.00 0.00 1.04 -0.52 0.00 0.00 177.40 177.92 2e7m n GLN 66 N -0.02 -2.23 -3.00 1.97 3.00 -1.26 -3.08 117.38 112.76 2e7m n GLN 66 Ca 0.33 0.51 -0.22 0.00 -0.01 0.00 0.00 57.00 57.61 2e7m n GLN 66 Cb 1.21 -5.05 0.01 0.00 0.00 0.00 0.00 30.24 26.42 2e7m n GLN 66 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 2e7m n GLY 67 N -0.69 -0.33 0.11 1.08 0.00 -1.26 -0.05 105.19 104.05 2e7m n GLY 67 Ca -0.12 0.62 0.06 0.00 0.00 0.00 0.00 46.02 46.57 2e7m n GLY 67 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 2e7m n HIS 68 N -0.94 0.39 -3.92 1.61 -0.00 -1.18 -4.18 115.22 107.00 2e7m n HIS 68 Ca -0.13 0.20 -0.14 0.00 -0.00 0.00 0.00 57.72 57.65 2e7m n HIS 68 Cb 0.47 -0.73 -0.01 0.00 -0.00 0.00 0.00 29.99 29.72 2e7m n HIS 68 CO 0.00 0.00 0.00 1.63 -0.00 0.00 0.00 176.34 177.97 2e7m n LYS 69 N -1.90 1.18 0.21 -0.41 4.01 -1.26 -4.67 118.16 115.32 2e7m n LYS 69 Ca -0.01 -1.76 0.15 0.00 -0.51 0.00 0.00 58.31 56.18 2e7m n LYS 69 Cb 0.15 0.29 0.58 0.00 -0.51 0.00 0.00 35.03 35.53 2e7m n LYS 69 CO 0.00 0.00 0.00 0.37 -1.11 0.00 0.00 177.40 176.66 2e7m h GLN 70 N 0.00 0.00 -6.68 1.97 4.15 -1.88 -3.43 115.11 109.24 2e7m h GLN 70 Ca -0.19 0.00 -0.70 0.00 0.77 0.00 0.00 58.65 58.54 2e7m h GLN 70 Cb 0.64 0.00 -0.27 0.00 0.21 0.00 0.00 27.48 28.06 2e7m h GLN 70 CO 0.30 0.00 -0.87 0.95 -1.93 0.00 0.00 178.83 177.28 2e7m s THR 71 N -3.49 2.22 -0.11 2.39 -4.23 -1.26 -2.67 115.64 108.50 2e7m s THR 71 Ca 0.03 -1.29 0.03 0.00 -1.18 0.00 0.00 61.69 59.28 2e7m s THR 71 Cb 0.09 -1.85 0.00 0.00 1.34 0.00 0.00 72.50 72.09 2e7m s THR 71 CO 0.48 0.42 -0.22 -0.22 -0.54 0.00 0.00 174.62 174.54 2e7m s LEU 72 N -1.11 2.02 -0.17 4.79 2.96 -0.88 -4.72 118.68 121.57 2e7m s LEU 72 Ca 0.12 -0.53 -0.02 0.00 -0.22 0.00 0.00 54.13 53.48 2e7m s LEU 72 Cb -0.10 -1.33 -0.01 0.00 0.50 0.00 0.00 46.19 45.25 2e7m s LEU 72 CO 0.02 0.12 -0.10 0.20 -1.32 0.00 0.00 176.35 175.27 2e7m s ASN 73 N 0.52 4.07 0.15 3.68 0.02 -1.26 -0.82 114.94 121.31 2e7m s ASN 73 Ca -0.15 -0.38 -0.04 0.00 -1.02 0.00 0.00 52.86 51.27 2e7m s ASN 73 Cb -0.17 -1.66 -0.05 0.00 0.02 0.00 0.00 41.25 39.39 2e7m s ASN 73 CO 0.05 0.07 0.37 -0.76 0.02 0.00 0.00 177.10 176.86 2e7m s LEU 74 N 0.90 4.26 0.06 0.60 2.01 -0.35 -4.92 118.68 121.24 2e7m s LEU 74 Ca -0.02 0.56 -0.10 0.00 0.01 0.00 0.00 54.13 54.58 2e7m s LEU 74 Cb -0.15 -3.29 0.00 0.00 0.01 0.00 0.00 46.19 42.77 2e7m s LEU 74 CO -0.00 0.04 0.20 -0.94 1.01 0.00 0.00 176.35 176.66 2e7m s SER 75 N -2.54 0.05 -1.52 2.29 1.04 -1.25 -3.17 113.70 108.60 2e7m s SER 75 Ca 0.41 -0.46 0.00 0.00 0.48 0.00 0.00 55.95 56.37 2e7m s SER 75 Cb -0.12 0.32 0.00 0.00 0.10 0.00 0.00 66.02 66.32 2e7m s SER 75 CO 0.25 -0.63 0.00 0.00 0.98 0.00 0.00 173.24 173.84 2e7m n GLN 76 N 0.37 -1.77 -0.95 4.02 6.02 -1.25 -4.85 117.38 118.96 2e7m n GLN 76 Ca -0.17 0.86 -0.30 0.00 -0.01 0.00 0.00 57.00 57.37 2e7m n GLN 76 Cb 0.60 -5.39 0.15 0.00 1.02 0.00 0.00 30.24 26.63 2e7m n GLN 76 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 2e7m s LEU 77 N -5.30 2.42 0.06 1.08 1.43 -1.16 -4.74 118.68 112.47 2e7m s LEU 77 Ca 0.00 1.80 0.01 0.00 -1.03 0.00 0.00 54.13 54.91 2e7m s LEU 77 Cb 0.00 -4.20 -0.03 0.00 0.03 0.00 0.00 46.19 41.99 2e7m s LEU 77 CO 0.00 -2.88 -0.05 -0.94 0.23 0.00 0.00 176.35 172.71 2e7m s SER 78 N -3.04 0.77 -0.43 2.29 1.04 -1.26 -4.83 113.70 108.25 2e7m s SER 78 Ca 0.65 -0.84 -0.35 0.00 0.48 0.00 0.00 55.95 55.88 2e7m s SER 78 Cb -0.20 0.11 -0.13 0.00 0.10 0.00 0.00 66.02 65.90 2e7m s SER 78 CO 0.58 -0.43 2.24 0.55 0.98 0.00 0.00 173.24 177.16 2e7m n VAL 79 N 0.53 0.13 0.00 5.02 3.14 -1.26 -4.60 118.33 121.29 2e7m n VAL 79 Ca -0.16 -0.24 0.00 0.00 -2.96 0.00 0.00 64.34 60.98 2e7m n VAL 79 Cb 0.59 -1.48 0.00 0.00 -1.06 0.00 0.00 33.84 31.89 2e7m n VAL 79 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 2e7m n GLY 80 N 6.64 -0.82 3.79 7.55 0.00 -1.11 -4.93 105.19 116.32 2e7m n GLY 80 Ca 0.45 -1.11 -0.36 0.00 0.00 0.00 0.00 46.02 45.00 2e7m n GLY 80 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2e7m s LEU 81 N 0.00 4.30 -0.11 0.99 2.96 -1.26 -1.80 118.68 123.76 2e7m s LEU 81 Ca 0.00 0.40 -0.03 0.00 -0.22 0.00 0.00 54.13 54.27 2e7m s LEU 81 Cb 0.00 -2.15 0.05 0.00 0.50 0.00 0.00 46.19 44.59 2e7m s LEU 81 CO 0.00 0.26 0.09 -0.31 -1.32 0.00 0.00 176.35 175.08 2e7m s TYR 82 N -0.23 0.06 -0.38 5.38 2.02 -1.05 -3.90 117.35 119.26 2e7m s TYR 82 Ca 0.13 0.08 -0.08 0.00 -0.37 0.00 0.00 57.07 56.82 2e7m s TYR 82 Cb -0.12 -0.53 0.06 0.00 -0.40 0.00 0.00 41.96 40.97 2e7m s TYR 82 CO 0.02 -0.35 0.20 0.08 -1.57 0.00 0.00 175.55 173.93 2e7m s VAL 83 N 2.18 4.13 -0.22 0.71 1.01 -0.39 -0.56 120.40 127.25 2e7m s VAL 83 Ca 0.04 -1.22 -0.15 0.00 0.00 0.00 0.00 61.98 60.65 2e7m s VAL 83 Cb -0.14 -3.43 -0.04 0.00 0.00 0.00 0.00 36.38 32.77 2e7m s VAL 83 CO -0.06 -0.35 0.35 -0.36 0.00 0.00 0.00 175.10 174.68 2e7m s PHE 84 N 1.44 3.34 -0.25 5.22 0.08 -0.24 -2.88 117.98 124.68 2e7m s PHE 84 Ca 0.01 0.51 -0.08 0.00 0.12 0.00 0.00 56.93 57.50 2e7m s PHE 84 Cb -0.21 -2.49 -0.03 0.00 -0.57 0.00 0.00 43.02 39.72 2e7m s PHE 84 CO 0.03 -0.03 0.09 0.21 -0.10 0.00 0.00 175.22 175.42 2e7m s LYS 85 N 1.40 3.74 -0.46 0.44 2.20 -0.41 -1.94 119.74 124.72 2e7m s LYS 85 Ca 0.16 -0.44 -0.15 0.00 -0.36 0.00 0.00 55.97 55.19 2e7m s LYS 85 Cb -0.15 -3.37 0.06 0.00 -1.51 0.00 0.00 37.83 32.87 2e7m s LYS 85 CO 0.08 -0.14 0.37 0.54 -0.36 0.00 0.00 175.35 175.84 2e7m s VAL 86 N 1.51 5.16 -0.39 4.02 0.11 -1.15 -1.53 120.40 128.14 2e7m s VAL 86 Ca 0.06 -1.01 -0.18 0.00 -2.93 0.00 0.00 61.98 57.91 2e7m s VAL 86 Cb -0.15 -4.05 0.01 0.00 -1.53 0.00 0.00 36.38 30.66 2e7m s VAL 86 CO 0.05 -0.52 0.52 -0.89 -3.33 0.00 0.00 175.10 170.92 2e7m s THR 87 N 1.63 5.00 -0.28 5.04 2.01 -0.37 -2.09 115.64 126.58 2e7m s THR 87 Ca 0.04 0.10 0.03 0.00 0.31 0.00 0.00 61.69 62.17 2e7m s THR 87 Cb -0.23 -4.03 0.07 0.00 0.01 0.00 0.00 72.50 68.32 2e7m s THR 87 CO 0.07 -0.35 -0.04 -0.69 -0.69 0.00 0.00 174.62 172.91 2e7m s VAL 88 N 2.41 1.98 0.05 3.82 1.01 0.15 -2.96 120.40 126.86 2e7m s VAL 88 Ca 0.18 -1.72 0.04 0.00 0.00 0.00 0.00 61.98 60.48 2e7m s VAL 88 Cb -0.16 -2.24 -0.02 0.00 0.00 0.00 0.00 36.38 33.96 2e7m s VAL 88 CO 0.15 -0.23 -0.12 -0.94 0.00 0.00 0.00 175.10 173.95 2e7m s SER 89 N 1.14 1.43 0.31 3.32 1.04 -1.26 0.48 113.70 120.17 2e7m s SER 89 Ca -0.02 -0.49 0.01 0.00 0.48 0.00 0.00 55.95 55.93 2e7m s SER 89 Cb -0.19 -0.06 0.01 0.00 0.10 0.00 0.00 66.02 65.88 2e7m s SER 89 CO -0.07 -0.04 0.09 -1.20 0.98 0.00 0.00 173.24 173.00 2e7m n SER 90 N 1.72 2.52 -0.07 7.02 7.64 0.54 -4.50 113.62 128.49 2e7m n SER 90 Ca -0.19 -2.24 -0.07 0.00 1.01 0.00 0.00 58.87 57.38 2e7m n SER 90 Cb 0.55 0.12 -0.01 0.00 -1.01 0.00 0.00 64.21 63.86 2e7m n SER 90 CO 0.00 0.00 0.00 1.05 -3.01 0.00 0.00 175.04 173.08 2e7m h GLU 91 N 0.00 -0.03 -0.52 1.43 4.11 -2.02 -2.99 114.58 114.56 2e7m h GLU 91 Ca -0.23 0.00 -0.38 0.00 0.07 0.00 0.00 59.36 58.82 2e7m h GLU 91 Cb 0.75 0.01 -0.30 0.00 0.50 0.00 0.00 28.75 29.70 2e7m h GLU 91 CO 0.38 -0.02 -0.74 0.27 0.07 0.00 0.00 179.01 178.97 2e7m n ASN 92 N -5.27 3.87 -3.71 3.06 0.23 -1.26 -5.03 115.26 107.15 2e7m n ASN 92 Ca -0.00 -3.73 -0.10 0.00 -0.53 0.00 0.00 54.58 50.22 2e7m n ASN 92 Cb 0.19 -0.40 -0.04 0.00 -2.08 0.00 0.00 39.78 37.45 2e7m n ASN 92 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 2e7m s ALA 93 N -3.46 -0.85 -0.28 -2.53 0.00 -1.13 -0.23 121.76 113.28 2e7m s ALA 93 Ca 0.46 -0.20 -0.14 0.00 0.00 0.00 0.00 51.96 52.08 2e7m s ALA 93 Cb 0.40 0.78 0.09 0.00 0.00 0.00 0.00 23.12 24.39 2e7m s ALA 93 CO 0.00 -0.72 0.67 0.12 0.00 0.00 0.00 175.76 175.83 2e7m s PHE 94 N -3.85 -1.10 -0.28 0.00 5.36 -0.93 -0.34 117.98 116.84 2e7m s PHE 94 Ca 0.07 2.13 -0.16 0.00 -0.96 0.00 0.00 56.93 58.02 2e7m s PHE 94 Cb 0.01 0.65 0.09 0.00 -0.34 0.00 0.00 43.02 43.42 2e7m s PHE 94 CO -0.07 -0.55 0.70 0.20 -1.46 0.00 0.00 175.22 174.04 2e7m s GLY 95 N 1.87 -0.62 0.05 13.12 0.00 0.18 -2.20 107.32 119.72 2e7m s GLY 95 Ca -0.09 2.45 -0.07 0.00 0.00 0.00 0.00 44.72 47.01 2e7m s GLY 95 CO -0.19 2.47 0.13 -1.83 0.00 0.00 0.00 173.10 173.68 2e7m s GLU 96 N 1.73 0.69 0.05 2.90 -1.05 -1.26 0.33 118.70 122.09 2e7m s GLU 96 Ca -0.10 -0.83 0.01 0.00 -0.15 0.00 0.00 54.97 53.90 2e7m s GLU 96 Cb -0.06 0.27 -0.00 0.00 -0.44 0.00 0.00 34.13 33.91 2e7m s GLU 96 CO -0.20 -0.19 0.03 0.41 0.95 0.00 0.00 175.26 176.27 2e7m n GLY 97 N 0.44 3.90 3.10 -3.83 0.00 -0.89 -4.50 105.19 103.41 2e7m n GLY 97 Ca -0.17 -1.76 -0.12 0.00 0.00 0.00 0.00 46.02 43.97 2e7m n GLY 97 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2e7m s PHE 98 N -2.07 -0.35 -0.06 1.61 0.40 -1.26 -2.91 117.98 113.34 2e7m s PHE 98 Ca 0.05 0.82 0.01 0.00 -0.60 0.00 0.00 56.93 57.21 2e7m s PHE 98 Cb 0.00 0.08 0.02 0.00 0.51 0.00 0.00 43.02 43.64 2e7m s PHE 98 CO 0.03 -0.22 -0.05 0.54 0.70 0.00 0.00 175.22 176.22 2e7m s VAL 99 N 1.04 0.63 -0.11 -0.44 0.11 -0.82 -4.78 120.40 116.04 2e7m s VAL 99 Ca -0.07 -0.15 -0.06 0.00 -2.93 0.00 0.00 61.98 58.77 2e7m s VAL 99 Cb -0.08 -0.66 -0.04 0.00 -1.53 0.00 0.00 36.38 34.06 2e7m s VAL 99 CO -0.07 0.26 0.13 0.20 -3.33 0.00 0.00 175.10 172.29 2e7m s ASN 100 N 1.12 6.31 -0.19 3.54 -0.87 -1.26 -1.08 114.94 122.49 2e7m s ASN 100 Ca -0.08 0.44 -0.02 0.00 -1.57 0.00 0.00 52.86 51.63 2e7m s ASN 100 Cb -0.14 -2.02 0.06 0.00 -0.02 0.00 0.00 41.25 39.13 2e7m s ASN 100 CO -0.01 0.40 0.02 -0.69 -2.57 0.00 0.00 177.10 174.25 2e7m s VAL 101 N -1.04 0.64 0.06 1.60 1.01 0.28 -2.23 120.40 120.72 2e7m s VAL 101 Ca 0.16 -0.61 -0.11 0.00 0.00 0.00 0.00 61.98 61.41 2e7m s VAL 101 Cb -0.12 -1.11 -0.06 0.00 0.00 0.00 0.00 36.38 35.09 2e7m s VAL 101 CO 0.05 -0.18 0.40 -0.89 0.00 0.00 0.00 175.10 174.48 2e7m s THR 102 N 1.81 5.09 -0.17 3.92 2.01 -0.77 -2.51 115.64 125.01 2e7m s THR 102 Ca -0.01 0.53 0.00 0.00 0.31 0.00 0.00 61.69 62.51 2e7m s THR 102 Cb -0.17 -3.65 0.00 0.00 0.01 0.00 0.00 72.50 68.69 2e7m s THR 102 CO -0.08 0.35 -0.16 -0.69 -0.69 0.00 0.00 174.62 173.36 2e7m s VAL 103 N -1.33 2.55 0.15 3.82 1.01 -0.74 -1.65 120.40 124.20 2e7m s VAL 103 Ca 0.31 -0.79 -0.17 0.00 0.00 0.00 0.00 61.98 61.33 2e7m s VAL 103 Cb -0.14 -2.08 -0.07 0.00 0.00 0.00 0.00 36.38 34.08 2e7m s VAL 103 CO 0.17 0.51 0.59 -0.54 0.00 0.00 0.00 175.10 175.83 2e7m s LYS 104 N 1.05 4.09 0.39 2.72 -0.14 0.77 -2.73 119.74 125.90 2e7m s LYS 104 Ca -0.01 0.63 -0.26 0.00 -1.36 0.00 0.00 55.97 54.98 2e7m s LYS 104 Cb -0.15 -2.99 -0.09 0.00 -1.68 0.00 0.00 37.83 32.92 2e7m s LYS 104 CO -0.04 0.50 1.19 -1.25 -0.76 0.00 0.00 175.35 174.99 2e7m s PRO 105 N -1.76 4.11 -0.42 -1.68 0.04 -1.26 -1.67 135.00 132.36 2e7m s PRO 105 Ca 0.37 1.91 -0.30 0.00 0.04 0.00 0.00 61.00 63.02 2e7m s PRO 105 Cb -0.16 -2.76 -0.09 0.00 0.04 0.00 0.00 34.50 31.53 2e7m s PRO 105 CO 0.20 -0.30 2.32 0.00 0.04 0.00 0.00 177.00 179.26 2e7m n ALA 106 N 0.22 1.11 0.03 8.56 0.00 -1.26 -4.57 120.51 124.59 2e7m n ALA 106 Ca 0.03 -0.39 0.03 0.00 0.00 0.00 0.00 53.44 53.12 2e7m n ALA 106 Cb 0.46 -2.81 -0.05 0.00 0.00 0.00 0.00 19.45 17.05 2e7m n ALA 106 CO 0.00 0.00 0.00 2.89 0.00 0.00 0.00 177.50 180.39 2e7m n ARG 107 N 8.62 0.78 -4.05 0.00 1.85 -1.26 -4.96 116.66 117.63 2e7m n ARG 107 Ca 0.40 -0.05 -0.34 0.00 -1.00 0.00 0.00 57.85 56.86 2e7m n ARG 107 Cb 0.36 -1.10 -0.15 0.00 -1.05 0.00 0.00 32.46 30.52 2e7m n ARG 107 CO 0.00 0.00 0.00 -1.12 -0.01 0.00 0.00 177.63 176.50 2e7m s SER 108 N -2.57 3.66 0.00 2.89 0.01 -1.26 -5.01 113.70 111.42 2e7m s SER 108 Ca -0.02 -0.53 0.00 0.00 1.31 0.00 0.00 55.95 56.71 2e7m s SER 108 Cb 0.04 -1.60 0.00 0.00 0.21 0.00 0.00 66.02 64.67 2e7m s SER 108 CO 0.25 -0.00 0.00 0.61 0.41 0.00 0.00 173.24 174.51 2e7m n GLY 109 N 4.66 3.51 3.58 3.44 0.00 -1.26 -4.83 105.19 114.30 2e7m n GLY 109 Ca -0.20 -0.89 -0.41 0.00 0.00 0.00 0.00 46.02 44.53 2e7m n GLY 109 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2e7m s PRO 110 N -4.42 3.11 -1.54 1.61 0.04 -1.26 -3.75 135.00 128.78 2e7m s PRO 110 Ca 0.00 1.05 -0.17 0.00 0.04 0.00 0.00 61.00 61.91 2e7m s PRO 110 Cb 0.00 -4.24 0.17 0.00 0.04 0.00 0.00 34.50 30.47 2e7m s PRO 110 CO 0.00 -2.14 0.44 0.43 0.04 0.00 0.00 177.00 175.77 2e7m n SER 111 N 10.99 -1.23 -4.31 6.66 7.64 -1.26 -4.82 113.62 127.29 2e7m n SER 111 Ca 0.21 -1.05 -0.45 0.00 1.01 0.00 0.00 58.87 58.59 2e7m n SER 111 Cb 0.49 -1.34 -0.02 0.00 -1.01 0.00 0.00 64.21 62.33 2e7m n SER 111 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 2e7m s SER 112 N -3.04 6.85 0.00 6.43 0.01 -1.25 -5.27 113.70 117.43 2e7m s SER 112 Ca 0.61 -3.06 0.00 0.00 1.31 0.00 0.00 55.95 54.81 2e7m s SER 112 Cb -0.36 -2.18 0.00 0.00 0.21 0.00 0.00 66.02 63.69 2e7m s SER 112 CO 0.86 -0.45 0.00 0.61 0.41 0.00 0.00 173.24 174.67