#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2or8 s ASP 2 N 0.00 -0.76 -0.27 7.83 1.11 -1.26 -5.14 116.67 118.19 2or8 s ASP 2 Ca 0.00 1.40 0.03 0.00 0.18 0.00 0.00 52.55 54.16 2or8 s ASP 2 Cb 0.00 1.39 0.07 0.00 1.07 0.00 0.00 42.92 45.45 2or8 s ASP 2 CO 0.00 -0.24 -0.08 -0.94 1.18 0.00 0.00 175.17 175.09 2or8 s SER 3 N 0.62 4.47 0.15 0.27 1.04 -1.26 -5.10 113.70 113.89 2or8 s SER 3 Ca -0.02 -1.50 0.03 0.00 0.48 0.00 0.00 55.95 54.94 2or8 s SER 3 Cb -0.05 -1.54 -0.04 0.00 0.10 0.00 0.00 66.02 64.49 2or8 s SER 3 CO -0.03 -0.22 0.23 -0.31 0.98 0.00 0.00 173.24 173.89 2or8 s TYR 4 N 1.09 3.36 -0.15 5.02 4.12 -1.26 -4.78 117.35 124.74 2or8 s TYR 4 Ca -0.06 0.07 -0.13 0.00 0.02 0.00 0.00 57.07 56.97 2or8 s TYR 4 Cb -0.20 -1.61 -0.05 0.00 -1.52 0.00 0.00 41.96 38.58 2or8 s TYR 4 CO -0.06 0.52 0.27 0.08 0.02 0.00 0.00 175.55 176.38 2or8 s VAL 5 N -1.74 5.32 -0.17 0.71 1.01 -0.57 -4.95 120.40 120.01 2or8 s VAL 5 Ca 0.33 0.49 -0.06 0.00 0.00 0.00 0.00 61.98 62.74 2or8 s VAL 5 Cb -0.11 -3.60 -0.04 0.00 0.00 0.00 0.00 36.38 32.64 2or8 s VAL 5 CO 0.27 0.43 0.04 -1.61 0.00 0.00 0.00 175.10 174.23 2or8 s GLU 6 N 0.21 3.82 0.09 2.72 2.02 -1.26 -0.27 118.70 126.02 2or8 s GLU 6 Ca 0.16 -0.37 0.09 0.00 0.02 0.00 0.00 54.97 54.87 2or8 s GLU 6 Cb -0.13 -3.12 -0.03 0.00 0.10 0.00 0.00 34.13 30.95 2or8 s GLU 6 CO 0.04 0.32 -0.25 0.08 0.02 0.00 0.00 175.26 175.48 2or8 s VAL 7 N 0.20 2.02 -0.09 2.63 1.01 -0.84 -4.95 120.40 120.39 2or8 s VAL 7 Ca 0.03 -1.55 0.04 0.00 0.00 0.00 0.00 61.98 60.51 2or8 s VAL 7 Cb -0.13 -1.78 -0.00 0.00 0.00 0.00 0.00 36.38 34.47 2or8 s VAL 7 CO 0.01 0.14 -0.23 -0.54 0.00 0.00 0.00 175.10 174.47 2or8 s LYS 8 N -1.71 2.82 0.16 2.72 -0.14 -1.26 -2.31 119.74 120.02 2or8 s LYS 8 Ca 0.11 -0.86 0.05 0.00 -1.36 0.00 0.00 55.97 53.92 2or8 s LYS 8 Cb -0.10 -2.20 -0.04 0.00 -1.68 0.00 0.00 37.83 33.81 2or8 s LYS 8 CO 0.04 0.22 -0.12 0.20 -0.76 0.00 0.00 175.35 174.94 2or8 s GLY 9 N 0.22 1.15 -0.18 -3.33 0.00 -0.78 -4.95 107.32 99.45 2or8 s GLY 9 Ca -0.14 -1.51 -0.01 0.00 0.00 0.00 0.00 44.72 43.06 2or8 s GLY 9 CO 0.07 -1.60 -0.13 0.14 0.00 0.00 0.00 173.10 171.58 2or8 s VAL 10 N -3.11 2.74 0.20 1.40 1.01 -1.26 -2.55 120.40 118.84 2or8 s VAL 10 Ca 0.17 -0.73 -0.31 0.00 0.00 0.00 0.00 61.98 61.12 2or8 s VAL 10 Cb 0.01 -2.18 -0.16 0.00 0.00 0.00 0.00 36.38 34.05 2or8 s VAL 10 CO 0.02 0.50 0.95 0.52 0.00 0.00 0.00 175.10 177.09 2or8 n VAL 11 N 4.34 1.46 0.00 2.92 0.31 -0.88 -0.86 118.33 125.61 2or8 n VAL 11 Ca -0.19 -0.36 0.00 0.00 -0.01 0.00 0.00 64.34 63.77 2or8 n VAL 11 Cb 0.51 -0.62 0.00 0.00 -0.91 0.00 0.00 33.84 32.82 2or8 n VAL 11 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 2or8 n GLY 12 N 1.72 2.78 3.76 2.92 0.00 0.14 -4.67 105.19 111.84 2or8 n GLY 12 Ca 0.14 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.90 2or8 n GLY 12 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2or8 s HIS 13 N -2.05 3.07 0.32 1.61 4.02 -0.04 -4.60 115.29 117.63 2or8 s HIS 13 Ca 0.00 -0.04 -0.27 0.00 1.02 0.00 0.00 55.06 55.76 2or8 s HIS 13 Cb 0.00 -1.48 -0.09 0.00 -1.02 0.00 0.00 32.58 29.98 2or8 s HIS 13 CO 0.00 0.52 1.05 -1.25 1.02 0.00 0.00 174.74 176.08 2or8 s PRO 14 N -3.01 4.49 0.03 8.40 0.04 -1.26 -2.12 135.00 141.56 2or8 s PRO 14 Ca 0.30 1.62 0.08 0.00 0.04 0.00 0.00 61.00 63.04 2or8 s PRO 14 Cb -0.10 -2.93 -0.03 0.00 0.04 0.00 0.00 34.50 31.48 2or8 s PRO 14 CO 0.22 0.13 -0.24 0.54 0.04 0.00 0.00 177.00 177.69 2or8 s VAL 15 N -1.38 2.30 -0.03 -0.36 0.11 -0.60 -4.88 120.40 115.56 2or8 s VAL 15 Ca 0.49 -1.28 0.07 0.00 -2.93 0.00 0.00 61.98 58.34 2or8 s VAL 15 Cb -0.26 -1.90 -0.02 0.00 -1.53 0.00 0.00 36.38 32.67 2or8 s VAL 15 CO 0.34 0.40 -0.25 -0.89 -3.33 0.00 0.00 175.10 171.36 2or8 s THR 16 N -0.80 2.11 -0.43 5.04 2.01 -1.26 -0.82 115.64 121.49 2or8 s THR 16 Ca 0.12 -1.08 -0.04 0.00 0.31 0.00 0.00 61.69 61.00 2or8 s THR 16 Cb -0.10 -1.74 0.11 0.00 0.01 0.00 0.00 72.50 70.79 2or8 s THR 16 CO 0.02 0.58 0.24 -0.76 -0.69 0.00 0.00 174.62 174.01 2or8 s LEU 17 N -0.56 5.32 0.13 4.42 1.43 0.17 -4.97 118.68 124.62 2or8 s LEU 17 Ca 0.08 -2.06 -0.31 0.00 -1.03 0.00 0.00 54.13 50.81 2or8 s LEU 17 Cb -0.11 -1.86 -0.09 0.00 0.03 0.00 0.00 46.19 44.17 2or8 s LEU 17 CO -0.00 -0.56 1.58 -2.84 0.23 0.00 0.00 176.35 174.76 2or8 s PRO 18 N 1.11 4.22 -0.21 1.29 0.02 -1.26 -2.08 135.00 138.09 2or8 s PRO 18 Ca 0.08 2.33 -0.06 0.00 0.02 0.00 0.00 61.00 63.37 2or8 s PRO 18 Cb -0.23 -3.31 0.10 0.00 0.02 0.00 0.00 34.50 31.08 2or8 s PRO 18 CO -0.04 -0.64 0.41 0.00 -0.33 0.00 0.00 177.00 176.41 2or8 s THR 20 N 2.60 0.52 0.04 0.00 -4.23 -1.26 -1.48 115.64 111.82 2or8 s THR 20 Ca 0.02 -1.93 -0.19 0.00 -1.18 0.00 0.00 61.69 58.40 2or8 s THR 20 Cb -0.13 -1.90 0.04 0.00 1.34 0.00 0.00 72.50 71.86 2or8 s THR 20 CO -0.14 -0.66 0.44 -0.72 -0.54 0.00 0.00 174.62 173.01 2or8 s TYR 21 N -3.75 -0.31 0.02 3.99 -0.85 -0.49 -4.99 117.35 110.96 2or8 s TYR 21 Ca 0.18 0.32 -0.25 0.00 -0.52 0.00 0.00 57.07 56.81 2or8 s TYR 21 Cb 0.06 0.25 -0.05 0.00 0.38 0.00 0.00 41.96 42.60 2or8 s TYR 21 CO -0.01 -0.58 0.75 0.45 -1.52 0.00 0.00 175.55 174.64 2or8 s SER 22 N -1.92 7.16 -0.19 -0.18 0.15 -1.26 -4.38 113.70 113.08 2or8 s SER 22 Ca -0.06 1.39 0.08 0.00 0.70 0.00 0.00 55.95 58.05 2or8 s SER 22 Cb -0.01 -2.45 0.54 0.00 -1.71 0.00 0.00 66.02 62.38 2or8 s SER 22 CO -0.01 -0.01 1.41 0.35 1.20 0.00 0.00 173.24 176.18 2or8 n THR 23 N 3.02 2.03 0.26 6.45 -2.24 -1.26 -4.48 114.28 118.05 2or8 n THR 23 Ca -0.02 -1.03 0.16 0.00 -2.27 0.00 0.00 64.05 60.88 2or8 n THR 23 Cb 0.50 -0.42 0.88 0.00 -2.10 0.00 0.00 70.33 69.20 2or8 n THR 23 CO 0.00 0.00 0.00 0.10 -0.57 0.00 0.00 175.07 174.60 2or8 h TYR 24 N 2.25 0.00 -0.25 4.78 -0.00 -1.95 0.27 116.97 122.07 2or8 h TYR 24 Ca 0.10 0.00 -0.10 0.00 -0.00 0.00 0.00 58.73 58.73 2or8 h TYR 24 Cb 1.69 0.00 -0.06 0.00 -0.00 0.00 0.00 36.73 38.36 2or8 h TYR 24 CO 0.83 0.00 -0.09 0.54 -0.00 0.00 0.00 178.16 179.44 2or8 n ARG 25 N -3.82 2.03 0.00 0.10 5.12 -1.26 -5.07 116.66 113.75 2or8 n ARG 25 Ca -0.01 -3.04 0.00 0.00 -1.93 0.00 0.00 57.85 52.87 2or8 n ARG 25 Cb 0.18 -1.77 0.00 0.00 -1.16 0.00 0.00 32.46 29.71 2or8 n ARG 25 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 2or8 n GLY 26 N -1.01 0.48 3.89 -0.13 0.00 0.96 -5.02 105.19 104.36 2or8 n GLY 26 Ca 0.27 -1.82 -0.29 0.00 0.00 0.00 0.00 46.02 44.18 2or8 n GLY 26 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 2or8 s ILE 27 N -2.35 3.92 0.21 -0.61 -4.36 -1.26 -4.54 121.20 112.21 2or8 s ILE 27 Ca 0.00 0.45 -0.02 0.00 -0.26 0.00 0.00 60.65 60.81 2or8 s ILE 27 Cb 0.00 -3.59 0.01 0.00 1.25 0.00 0.00 42.46 40.13 2or8 s ILE 27 CO 0.00 -0.73 0.32 1.07 0.24 0.00 0.00 174.94 175.84 2or8 n THR 28 N -2.80 0.00 -2.90 8.37 5.66 -1.26 -5.03 114.28 116.32 2or8 n THR 28 Ca 0.06 -0.98 -0.31 0.00 -3.05 0.00 0.00 64.05 59.76 2or8 n THR 28 Cb 0.56 0.64 -0.04 0.00 -1.55 0.00 0.00 70.33 69.95 2or8 n THR 28 CO 0.00 0.00 0.00 0.42 -3.05 0.00 0.00 175.07 172.44 2or8 s THR 29 N -2.63 4.72 -0.02 1.09 -4.23 -1.26 -3.52 115.64 109.79 2or8 s THR 29 Ca 0.16 0.80 -0.03 0.00 -1.18 0.00 0.00 61.69 61.43 2or8 s THR 29 Cb -0.01 -3.69 0.00 0.00 1.34 0.00 0.00 72.50 70.14 2or8 s THR 29 CO 0.12 -0.43 0.08 -0.89 -0.54 0.00 0.00 174.62 172.95 2or8 s THR 30 N -2.27 0.03 0.06 3.99 2.01 -1.24 -1.74 115.64 116.49 2or8 s THR 30 Ca 0.53 -0.29 0.02 0.00 0.31 0.00 0.00 61.69 62.27 2or8 s THR 30 Cb -0.10 -0.21 -0.03 0.00 0.01 0.00 0.00 72.50 72.17 2or8 s THR 30 CO 0.27 -0.16 -0.08 0.00 -0.69 0.00 0.00 174.62 173.96 2or8 s TRP 32 N -1.82 2.32 0.09 0.00 0.52 -0.38 -2.06 118.94 117.62 2or8 s TRP 32 Ca -0.05 -0.40 -0.23 0.00 0.02 0.00 0.00 56.10 55.44 2or8 s TRP 32 Cb -0.07 -1.35 0.06 0.00 -1.15 0.00 0.00 33.47 30.95 2or8 s TRP 32 CO -0.00 0.19 0.55 0.20 0.02 0.00 0.00 176.95 177.90 2or8 s GLY 33 N -1.47 -0.48 0.26 0.98 0.00 -0.23 0.01 107.32 106.39 2or8 s GLY 33 Ca 0.12 0.54 -0.19 0.00 0.00 0.00 0.00 44.72 45.20 2or8 s GLY 33 CO 0.03 0.23 0.75 0.50 0.00 0.00 0.00 173.10 174.61 2or8 s ARG 34 N -2.95 4.20 0.00 2.90 1.81 -0.96 0.74 118.95 124.68 2or8 s ARG 34 Ca -0.03 0.85 0.00 0.00 -1.72 0.00 0.00 55.73 54.84 2or8 s ARG 34 Cb -0.00 -2.73 0.00 0.00 -0.45 0.00 0.00 34.95 31.77 2or8 s ARG 34 CO -0.06 0.31 0.00 0.41 -0.68 0.00 0.00 175.30 175.28 2or8 n GLY 35 N 0.37 0.12 3.76 -3.53 0.00 0.39 -4.35 105.19 101.95 2or8 n GLY 35 Ca -0.00 -1.72 -0.35 0.00 0.00 0.00 0.00 46.02 43.94 2or8 n GLY 35 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 2or8 s GLN 36 N -2.82 3.11 0.20 1.61 -2.07 -1.26 -3.50 119.66 114.93 2or8 s GLN 36 Ca 0.00 1.70 -0.32 0.00 -1.82 0.00 0.00 55.36 54.92 2or8 s GLN 36 Cb 0.00 -1.96 -0.14 0.00 -1.09 0.00 0.00 33.01 29.82 2or8 s GLN 36 CO 0.00 -1.07 1.49 0.00 -1.32 0.00 0.00 175.29 174.39 2or8 n PRO 38 N 2.67 3.10 -0.07 0.00 -0.04 -1.26 -5.02 135.00 134.37 2or8 n PRO 38 Ca 0.14 0.00 -0.18 0.00 -0.04 0.00 0.00 63.50 63.42 2or8 n PRO 38 Cb 0.30 0.00 -0.13 0.00 -0.04 0.00 0.00 33.50 33.63 2or8 n PRO 38 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 2or8 n SER 39 N 0.00 1.74 -4.19 3.54 3.41 -1.26 -4.93 113.62 111.94 2or8 n SER 39 Ca 0.00 0.03 -0.27 0.00 -0.26 0.00 0.00 58.87 58.37 2or8 n SER 39 Cb 0.00 -0.39 -0.16 0.00 -0.26 0.00 0.00 64.21 63.40 2or8 n SER 39 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 2or8 s SER 40 N -6.56 2.38 0.54 4.04 0.15 -1.26 -5.07 113.70 107.93 2or8 s SER 40 Ca -0.26 -0.38 0.00 0.00 0.70 0.00 0.00 55.95 56.01 2or8 s SER 40 Cb 0.08 -0.50 0.00 0.00 -1.71 0.00 0.00 66.02 63.89 2or8 s SER 40 CO 0.70 0.21 0.00 0.00 1.20 0.00 0.00 173.24 175.34 2or8 n ALA 41 N 2.89 0.00 -2.67 5.45 0.00 -1.26 -4.77 120.51 120.14 2or8 n ALA 41 Ca -0.17 0.00 -0.35 0.00 0.00 0.00 0.00 53.44 52.93 2or8 n ALA 41 Cb 0.53 0.00 -0.10 0.00 0.00 0.00 0.00 19.45 19.88 2or8 n ALA 41 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2or8 s GLN 43 N -0.93 4.14 -1.44 0.00 0.74 -1.26 -4.16 119.66 116.75 2or8 s GLN 43 Ca 0.14 0.65 -0.05 0.00 0.05 0.00 0.00 55.36 56.15 2or8 s GLN 43 Cb -0.11 -3.25 0.04 0.00 1.10 0.00 0.00 33.01 30.79 2or8 s GLN 43 CO 0.03 0.62 0.67 0.09 -0.55 0.00 0.00 175.29 176.15 2or8 n ASN 44 N 1.86 -1.88 -4.44 6.67 5.03 -1.26 -2.27 115.26 118.96 2or8 n ASN 44 Ca -0.11 -0.90 -0.55 0.00 0.87 0.00 0.00 54.58 53.89 2or8 n ASN 44 Cb 0.51 -3.50 -0.06 0.00 -1.02 0.00 0.00 39.78 35.71 2or8 n ASN 44 CO 0.00 0.00 0.00 0.41 -1.83 0.00 0.00 177.26 175.84 2or8 n THR 45 N -4.42 0.68 -0.03 3.41 -1.04 -1.26 -3.31 114.28 108.30 2or8 n THR 45 Ca -0.19 -0.17 -0.04 0.00 -2.04 0.00 0.00 64.05 61.61 2or8 n THR 45 Cb 0.63 0.00 -0.04 0.00 -1.82 0.00 0.00 70.33 69.10 2or8 n THR 45 CO 0.00 0.00 0.00 0.18 -0.64 0.00 0.00 175.07 174.61 2or8 n LEU 46 N 1.66 1.89 -3.97 -4.42 4.77 0.10 -4.70 117.00 112.33 2or8 n LEU 46 Ca 0.19 -0.02 -0.09 0.00 -0.03 0.00 0.00 56.01 56.06 2or8 n LEU 46 Cb 0.14 -0.11 -0.10 0.00 -2.33 0.00 0.00 43.42 41.02 2or8 n LEU 46 CO 0.59 0.44 -0.30 -0.63 -1.33 0.00 0.00 177.39 176.16 2or8 s ILE 47 N -2.14 0.13 -0.07 -0.08 -1.09 -1.17 -1.06 121.20 115.72 2or8 s ILE 47 Ca -0.07 -1.09 -0.05 0.00 -2.23 0.00 0.00 60.65 57.21 2or8 s ILE 47 Cb 0.02 -0.67 0.03 0.00 -1.58 0.00 0.00 42.46 40.26 2or8 s ILE 47 CO 0.19 -0.60 0.17 0.26 -1.23 0.00 0.00 174.94 173.73 2or8 s TRP 48 N -2.18 -0.20 0.18 3.97 0.52 -1.00 -1.24 118.94 119.00 2or8 s TRP 48 Ca -0.09 0.50 0.10 0.00 0.02 0.00 0.00 56.10 56.63 2or8 s TRP 48 Cb -0.04 0.02 -0.04 0.00 -1.15 0.00 0.00 33.47 32.25 2or8 s TRP 48 CO -0.03 -0.13 -0.20 0.95 0.02 0.00 0.00 176.95 177.56 2or8 s THR 49 N 0.57 2.04 -1.51 2.01 -4.23 0.20 -0.53 115.64 114.19 2or8 s THR 49 Ca -0.04 -2.00 0.19 0.00 -1.18 0.00 0.00 61.69 58.66 2or8 s THR 49 Cb -0.06 -1.97 0.56 0.00 1.34 0.00 0.00 72.50 72.38 2or8 s THR 49 CO -0.03 -0.26 1.47 -0.46 -0.54 0.00 0.00 174.62 174.80 2or8 n ASN 50 N 0.20 3.80 0.00 3.99 6.94 -0.96 -3.63 115.26 125.60 2or8 n ASN 50 Ca -0.12 -2.09 0.00 0.00 -0.02 0.00 0.00 54.58 52.34 2or8 n ASN 50 Cb 0.57 -0.44 0.00 0.00 -2.36 0.00 0.00 39.78 37.55 2or8 n ASN 50 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 2or8 n GLY 51 N 1.21 2.91 0.00 4.83 0.00 -1.23 -4.72 105.19 108.19 2or8 n GLY 51 Ca 0.21 -1.00 0.00 0.00 0.00 0.00 0.00 46.02 45.23 2or8 n GLY 51 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 173.32 170.93 2or8 n HIS 52 N 0.00 0.00 -3.52 1.61 -0.00 -1.26 -4.06 115.22 107.99 2or8 n HIS 52 Ca 0.00 0.00 -0.13 0.00 -0.00 0.00 0.00 57.72 57.59 2or8 n HIS 52 Cb 0.00 0.00 -0.04 0.00 -0.00 0.00 0.00 29.99 29.95 2or8 n HIS 52 CO 0.00 0.00 0.00 -0.98 -0.00 0.00 0.00 176.34 175.36 2or8 s ARG 53 N -1.08 1.14 0.14 -1.40 1.70 -1.26 -4.36 118.95 113.84 2or8 s ARG 53 Ca 0.00 -0.40 -0.31 0.00 -0.47 0.00 0.00 55.73 54.56 2or8 s ARG 53 Cb 0.00 0.52 -0.08 0.00 -0.57 0.00 0.00 34.95 34.82 2or8 s ARG 53 CO 0.00 -0.46 1.36 0.08 -1.08 0.00 0.00 175.30 175.21 2or8 s VAL 54 N -3.18 3.29 -0.12 4.99 1.01 -1.26 -2.27 120.40 122.87 2or8 s VAL 54 Ca -0.01 0.96 0.06 0.00 0.00 0.00 0.00 61.98 62.98 2or8 s VAL 54 Cb -0.00 -3.62 -0.08 0.00 0.00 0.00 0.00 36.38 32.68 2or8 s VAL 54 CO -0.08 0.09 0.17 0.35 0.00 0.00 0.00 175.10 175.64 2or8 n THR 55 N 3.57 0.00 -3.75 3.92 -2.24 0.31 -4.93 114.28 111.15 2or8 n THR 55 Ca 0.10 -0.23 -0.13 0.00 -2.27 0.00 0.00 64.05 61.51 2or8 n THR 55 Cb 0.42 0.63 -0.14 0.00 -2.10 0.00 0.00 70.33 69.14 2or8 n THR 55 CO 0.00 0.00 0.00 -0.47 -0.57 0.00 0.00 175.07 174.03 2or8 s TYR 56 N -2.04 -0.17 -0.22 4.78 5.04 -1.08 -4.96 117.35 118.70 2or8 s TYR 56 Ca -0.00 0.49 -0.04 0.00 -2.44 0.00 0.00 57.07 55.08 2or8 s TYR 56 Cb 0.04 -0.07 0.08 0.00 0.35 0.00 0.00 41.96 42.35 2or8 s TYR 56 CO 0.24 -0.17 0.09 -1.14 -1.34 0.00 0.00 175.55 173.24 2or8 s GLN 57 N 1.13 0.24 0.43 4.97 0.74 -1.26 -2.36 119.66 123.55 2or8 s GLN 57 Ca -0.09 -0.35 0.10 0.00 0.05 0.00 0.00 55.36 55.07 2or8 s GLN 57 Cb -0.11 -1.67 0.95 0.00 1.10 0.00 0.00 33.01 33.28 2or8 s GLN 57 CO -0.06 -0.80 2.03 -0.22 -0.55 0.00 0.00 175.29 175.69 2or8 h LYS 58 N 8.36 0.45 -2.77 1.67 1.63 -1.38 -3.44 116.57 121.10 2or8 h LYS 58 Ca -0.17 -0.03 -0.10 0.00 -0.85 0.00 0.00 60.65 59.50 2or8 h LYS 58 Cb 1.09 -0.10 -0.20 0.00 -0.60 0.00 0.00 32.23 32.42 2or8 h LYS 58 CO 0.36 0.30 -0.17 0.45 -3.45 0.00 0.00 179.45 176.94 2or8 s SER 59 N -6.53 -0.32 0.26 4.20 0.15 -1.26 -5.03 113.70 105.17 2or8 s SER 59 Ca -0.08 0.31 0.20 0.00 0.70 0.00 0.00 55.95 57.08 2or8 s SER 59 Cb 0.18 0.42 0.98 0.00 -1.71 0.00 0.00 66.02 65.89 2or8 s SER 59 CO 0.73 -0.45 1.61 -1.54 1.20 0.00 0.00 173.24 174.79 2or8 n SER 60 N 1.36 0.52 0.00 5.45 3.41 -1.26 -1.70 113.62 121.40 2or8 n SER 60 Ca -0.20 0.69 0.12 0.00 -0.26 0.00 0.00 58.87 59.23 2or8 n SER 60 Cb 0.56 -0.78 0.59 0.00 -0.26 0.00 0.00 64.21 64.32 2or8 n SER 60 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 2or8 n ARG 61 N -2.15 0.16 -3.77 4.33 1.74 -1.26 -4.67 116.66 111.04 2or8 n ARG 61 Ca 0.00 0.05 -0.36 0.00 -0.77 0.00 0.00 57.85 56.77 2or8 n ARG 61 Cb 0.11 -1.50 -0.13 0.00 -1.02 0.00 0.00 32.46 29.92 2or8 n ARG 61 CO 0.00 0.00 0.00 0.71 -1.52 0.00 0.00 177.63 176.82 2or8 s TYR 62 N -2.82 3.07 0.02 -1.55 1.51 -0.69 -0.98 117.35 115.92 2or8 s TYR 62 Ca 0.17 -0.54 -0.02 0.00 -1.01 0.00 0.00 57.07 55.67 2or8 s TYR 62 Cb 0.17 -2.23 -0.02 0.00 -0.11 0.00 0.00 41.96 39.78 2or8 s TYR 62 CO 0.43 -0.40 0.02 -0.80 -1.11 0.00 0.00 175.55 173.69 2or8 s ASN 63 N 1.59 0.21 -0.48 2.29 0.01 -0.68 -4.87 114.94 113.01 2or8 s ASN 63 Ca 0.06 -0.48 -0.04 0.00 -0.71 0.00 0.00 52.86 51.69 2or8 s ASN 63 Cb -0.15 0.14 0.13 0.00 0.41 0.00 0.00 41.25 41.77 2or8 s ASN 63 CO 0.03 -0.36 0.30 -0.76 -1.51 0.00 0.00 177.10 174.80 2or8 s LEU 64 N -1.61 5.37 0.27 0.60 1.02 -1.26 0.11 118.68 123.17 2or8 s LEU 64 Ca -0.13 -2.21 0.24 0.00 0.02 0.00 0.00 54.13 52.05 2or8 s LEU 64 Cb -0.07 -1.88 0.43 0.00 0.02 0.00 0.00 46.19 44.69 2or8 s LEU 64 CO -0.01 -0.54 1.52 0.11 0.02 0.00 0.00 176.35 177.45 2or8 h LYS 65 N 7.89 0.00 0.00 1.70 6.56 -1.91 -3.47 116.57 127.34 2or8 h LYS 65 Ca -0.12 0.00 -0.19 0.00 -1.06 0.00 0.00 60.65 59.28 2or8 h LYS 65 Cb 1.03 0.00 0.09 0.00 -0.57 0.00 0.00 32.23 32.78 2or8 h LYS 65 CO 0.73 0.00 0.14 0.41 -2.06 0.00 0.00 179.45 178.67 2or8 n GLY 66 N 1.22 -1.84 3.56 3.86 0.00 -1.26 -4.90 105.19 105.84 2or8 n GLY 66 Ca 0.04 -1.60 -0.40 0.00 0.00 0.00 0.00 46.02 44.06 2or8 n GLY 66 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2or8 s HIS 67 N -2.17 2.52 0.08 1.61 3.76 -1.26 -4.87 115.29 114.96 2or8 s HIS 67 Ca 0.34 -0.87 -0.27 0.00 -0.15 0.00 0.00 55.06 54.12 2or8 s HIS 67 Cb -0.02 -4.65 -0.16 0.00 1.11 0.00 0.00 32.58 28.86 2or8 s HIS 67 CO 0.25 -1.88 1.70 0.82 -0.85 0.00 0.00 174.74 174.78 2or8 h ILE 68 N 6.56 0.75 0.00 0.60 2.04 -1.87 -2.00 117.51 123.59 2or8 h ILE 68 Ca 0.25 -0.00 0.00 0.00 1.00 0.00 0.00 64.86 66.10 2or8 h ILE 68 Cb 0.98 0.75 0.00 0.00 -0.74 0.00 0.00 36.82 37.81 2or8 h ILE 68 CO 1.41 0.00 0.00 -1.54 0.00 0.00 0.00 178.15 178.03 2or8 n SER 69 N -5.24 0.36 0.11 1.72 3.41 -1.26 -0.86 113.62 111.86 2or8 n SER 69 Ca -0.09 0.65 0.06 0.00 -0.26 0.00 0.00 58.87 59.23 2or8 n SER 69 Cb 0.16 -0.70 0.01 0.00 -0.26 0.00 0.00 64.21 63.41 2or8 n SER 69 CO 0.00 0.00 0.00 -0.33 -0.16 0.00 0.00 175.04 174.55 2or8 h GLU 70 N 0.00 0.00 0.00 4.33 4.39 -1.70 -3.47 114.58 118.13 2or8 h GLU 70 Ca 0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 2or8 h GLU 70 Cb 0.06 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.71 2or8 h GLU 70 CO 0.00 0.19 0.00 0.41 -1.16 0.00 0.00 179.01 178.45 2or8 n GLY 71 N 1.24 0.52 3.40 -3.84 0.00 -0.04 -4.38 105.19 102.08 2or8 n GLY 71 Ca -0.02 0.00 -0.45 0.00 0.00 0.00 0.00 46.02 45.55 2or8 n GLY 71 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2or8 s ASP 72 N -0.19 6.50 -0.63 1.61 -1.08 -1.07 -1.40 116.67 120.43 2or8 s ASP 72 Ca 0.00 -1.97 0.00 0.00 -0.52 0.00 0.00 52.55 50.06 2or8 s ASP 72 Cb 0.00 -2.32 0.42 0.00 -1.46 0.00 0.00 42.92 39.56 2or8 s ASP 72 CO 0.00 -0.97 1.78 1.33 0.52 0.00 0.00 175.17 177.82 2or8 n VAL 73 N 5.14 3.28 -2.37 1.11 0.24 -0.55 -3.75 118.33 121.43 2or8 n VAL 73 Ca 0.10 -3.78 -0.41 0.00 -2.04 0.00 0.00 64.34 58.21 2or8 n VAL 73 Cb 0.46 -1.19 -0.03 0.00 -1.47 0.00 0.00 33.84 31.61 2or8 n VAL 73 CO 0.00 0.00 0.00 -0.44 -2.14 0.00 0.00 176.83 174.25 2or8 s SER 74 N -2.14 7.08 -0.06 -1.34 0.01 -1.08 -4.59 113.70 111.59 2or8 s SER 74 Ca 0.57 2.22 -0.21 0.00 1.31 0.00 0.00 55.95 59.84 2or8 s SER 74 Cb 0.46 -2.60 -0.05 0.00 0.21 0.00 0.00 66.02 64.04 2or8 s SER 74 CO -0.14 -0.39 0.59 -0.22 0.41 0.00 0.00 173.24 173.49 2or8 s LEU 75 N -0.09 4.35 -0.13 2.44 2.96 -0.88 -3.94 118.68 123.38 2or8 s LEU 75 Ca 0.54 1.06 0.03 0.00 -0.22 0.00 0.00 54.13 55.53 2or8 s LEU 75 Cb -0.32 -2.90 0.01 0.00 0.50 0.00 0.00 46.19 43.48 2or8 s LEU 75 CO 0.36 0.01 -0.21 -0.89 -1.32 0.00 0.00 176.35 174.30 2or8 s THR 76 N 0.33 1.97 -0.34 3.68 2.01 0.12 -0.66 115.64 122.75 2or8 s THR 76 Ca 0.31 -0.93 -0.12 0.00 0.31 0.00 0.00 61.69 61.26 2or8 s THR 76 Cb -0.17 -1.74 -0.01 0.00 0.01 0.00 0.00 72.50 70.59 2or8 s THR 76 CO 0.15 0.53 0.22 -0.63 -0.69 0.00 0.00 174.62 174.21 2or8 s ILE 77 N 0.79 5.02 0.62 1.82 1.01 -0.00 -1.69 121.20 128.78 2or8 s ILE 77 Ca -0.08 -0.37 -0.17 0.00 0.00 0.00 0.00 60.65 60.03 2or8 s ILE 77 Cb -0.16 -3.62 -0.02 0.00 0.01 0.00 0.00 42.46 38.68 2or8 s ILE 77 CO -0.01 -0.04 1.13 -1.61 0.00 0.00 0.00 174.94 174.42 2or8 s GLU 78 N 1.67 2.92 -0.12 2.79 0.41 -0.15 -1.55 118.70 124.68 2or8 s GLU 78 Ca 0.05 1.53 -0.08 0.00 -0.41 0.00 0.00 54.97 56.06 2or8 s GLU 78 Cb -0.18 -1.95 0.01 0.00 -1.78 0.00 0.00 34.13 30.23 2or8 s GLU 78 CO 0.09 -1.18 0.16 0.09 -0.49 0.00 0.00 175.26 173.93 2or8 n ASN 79 N -2.03 -1.26 -4.81 -0.19 4.13 -1.26 -4.83 115.26 105.00 2or8 n ASN 79 Ca 0.11 -0.07 -0.31 0.00 1.68 0.00 0.00 54.58 55.99 2or8 n ASN 79 Cb 0.51 -0.37 0.05 0.00 -1.54 0.00 0.00 39.78 38.43 2or8 n ASN 79 CO 0.00 0.00 0.00 -0.94 0.28 0.00 0.00 177.26 176.60 2or8 s SER 80 N -0.60 5.33 0.13 6.41 1.04 -0.90 -4.79 113.70 120.33 2or8 s SER 80 Ca 0.08 1.70 -0.09 0.00 0.48 0.00 0.00 55.95 58.12 2or8 s SER 80 Cb -0.01 -2.51 -0.01 0.00 0.10 0.00 0.00 66.02 63.60 2or8 s SER 80 CO 0.21 -1.47 0.24 0.68 0.98 0.00 0.00 173.24 173.88 2or8 s VAL 81 N -2.87 0.10 0.39 5.02 -7.23 -1.26 -0.68 120.40 113.86 2or8 s VAL 81 Ca 0.60 -1.31 0.22 0.00 -1.81 0.00 0.00 61.98 59.68 2or8 s VAL 81 Cb -0.15 -1.64 0.40 0.00 0.56 0.00 0.00 36.38 35.55 2or8 s VAL 81 CO 0.51 -0.44 1.66 -0.33 -0.31 0.00 0.00 175.10 176.19 2or8 h GLU 82 N 2.63 0.21 0.00 4.82 3.07 -1.94 0.32 114.58 123.69 2or8 h GLU 82 Ca -0.33 -0.01 0.00 0.00 -0.50 0.00 0.00 59.36 58.52 2or8 h GLU 82 Cb 1.22 -0.05 0.00 0.00 -0.84 0.00 0.00 28.75 29.08 2or8 h GLU 82 CO 0.52 0.14 0.00 0.43 -1.40 0.00 0.00 179.01 178.70 2or8 n SER 83 N -4.85 0.00 0.03 1.42 7.64 -1.26 -1.95 113.62 114.65 2or8 n SER 83 Ca 0.33 -0.31 0.12 0.00 1.01 0.00 0.00 58.87 60.02 2or8 n SER 83 Cb 1.16 -0.09 0.19 0.00 -1.01 0.00 0.00 64.21 64.47 2or8 n SER 83 CO 0.00 0.00 0.00 0.47 -3.01 0.00 0.00 175.04 172.50 2or8 n ASP 84 N -1.09 0.59 -4.74 6.43 8.00 0.11 -4.90 116.55 120.96 2or8 n ASP 84 Ca 0.10 -0.07 -0.38 0.00 0.71 0.00 0.00 54.79 55.16 2or8 n ASP 84 Cb 0.07 0.27 0.05 0.00 -0.02 0.00 0.00 41.12 41.49 2or8 n ASP 84 CO 0.00 0.00 0.00 -1.20 -0.39 0.00 0.00 177.20 175.61 2or8 n SER 85 N -1.83 2.41 0.00 -2.24 7.64 -0.82 -4.88 113.62 113.89 2or8 n SER 85 Ca 0.04 0.91 0.00 0.00 1.01 0.00 0.00 58.87 60.83 2or8 n SER 85 Cb 0.39 -1.57 0.00 0.00 -1.01 0.00 0.00 64.21 62.03 2or8 n SER 85 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2or8 n GLY 86 N 0.83 0.62 3.85 0.23 0.00 0.27 -4.98 105.19 106.01 2or8 n GLY 86 Ca 0.13 -1.83 -0.37 0.00 0.00 0.00 0.00 46.02 43.95 2or8 n GLY 86 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2or8 s LEU 87 N 0.00 4.44 0.06 0.99 1.43 -1.26 -0.65 118.68 123.68 2or8 s LEU 87 Ca 0.00 0.88 0.05 0.00 -1.03 0.00 0.00 54.13 54.04 2or8 s LEU 87 Cb 0.00 -2.66 -0.03 0.00 0.03 0.00 0.00 46.19 43.54 2or8 s LEU 87 CO 0.00 0.29 -0.15 -0.31 0.23 0.00 0.00 176.35 176.41 2or8 s TYR 88 N -1.16 1.32 -0.09 0.29 1.51 0.29 0.15 117.35 119.65 2or8 s TYR 88 Ca 0.26 -0.40 0.04 0.00 -1.01 0.00 0.00 57.07 55.95 2or8 s TYR 88 Cb -0.16 -0.76 -0.01 0.00 -0.11 0.00 0.00 41.96 40.93 2or8 s TYR 88 CO 0.14 0.07 -0.22 0.00 -1.11 0.00 0.00 175.55 174.43 2or8 s ARG 91 N 1.26 3.24 -0.31 0.00 3.52 -0.87 -0.92 118.95 124.88 2or8 s ARG 91 Ca -0.04 -0.77 -0.01 0.00 -0.13 0.00 0.00 55.73 54.78 2or8 s ARG 91 Cb -0.18 -2.49 0.06 0.00 -1.56 0.00 0.00 34.95 30.78 2or8 s ARG 91 CO -0.07 0.20 0.01 0.08 -0.81 0.00 0.00 175.30 174.70 2or8 s VAL 92 N 0.35 2.86 -1.04 7.11 1.01 0.13 -2.32 120.40 128.49 2or8 s VAL 92 Ca -0.14 -1.54 -0.24 0.00 0.00 0.00 0.00 61.98 60.06 2or8 s VAL 92 Cb -0.17 -2.71 -0.06 0.00 0.00 0.00 0.00 36.38 33.44 2or8 s VAL 92 CO 0.07 -0.18 1.94 -1.61 0.00 0.00 0.00 175.10 175.32 2or8 s GLU 93 N 1.20 2.55 0.53 2.72 2.02 -0.71 -1.49 118.70 125.52 2or8 s GLU 93 Ca -0.04 -0.72 -0.02 0.00 0.02 0.00 0.00 54.97 54.21 2or8 s GLU 93 Cb -0.20 -5.15 0.01 0.00 0.10 0.00 0.00 34.13 28.88 2or8 s GLU 93 CO -0.02 -3.65 0.79 0.96 0.02 0.00 0.00 175.26 173.36 2or8 s ILE 94 N 10.44 3.64 0.36 -1.63 -4.36 -1.26 -4.24 121.20 124.16 2or8 s ILE 94 Ca 0.69 -0.31 -0.26 0.00 -0.26 0.00 0.00 60.65 60.51 2or8 s ILE 94 Cb -0.04 -3.40 -0.12 0.00 1.25 0.00 0.00 42.46 40.15 2or8 s ILE 94 CO 0.06 -0.33 0.95 -2.65 0.24 0.00 0.00 174.94 173.20 2or8 n PRO 95 N -2.34 1.24 0.00 0.37 -0.02 -1.26 -4.72 135.00 128.27 2or8 n PRO 95 Ca 0.04 0.44 0.00 0.00 -2.02 0.00 0.00 63.50 61.96 2or8 n PRO 95 Cb 0.58 -1.88 0.00 0.00 -0.02 0.00 0.00 33.50 32.18 2or8 n PRO 95 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2or8 n GLY 96 N 1.28 3.54 3.63 -1.23 0.00 -1.26 -4.83 105.19 106.32 2or8 n GLY 96 Ca 0.10 -1.71 -0.43 0.00 0.00 0.00 0.00 46.02 43.98 2or8 n GLY 96 CO 0.00 0.00 0.00 0.86 0.00 0.00 0.00 173.32 174.18 2or8 s TRP 97 N -2.09 3.07 -1.24 1.61 -0.11 -1.26 -3.84 118.94 115.07 2or8 s TRP 97 Ca 0.00 1.11 -0.23 0.00 1.22 0.00 0.00 56.10 58.20 2or8 s TRP 97 Cb 0.00 -3.80 0.02 0.00 -1.50 0.00 0.00 33.47 28.19 2or8 s TRP 97 CO 0.00 -0.92 0.62 0.34 -4.62 0.00 0.00 176.95 172.38 2or8 n PHE 98 N 7.05 -1.58 -2.15 5.86 7.35 -1.26 -4.87 117.46 127.85 2or8 n PHE 98 Ca 0.12 0.33 -0.06 0.00 -0.76 0.00 0.00 57.45 57.08 2or8 n PHE 98 Cb 0.47 -3.12 0.08 0.00 0.35 0.00 0.00 39.48 37.26 2or8 n PHE 98 CO 0.00 0.00 0.00 -1.71 -0.76 0.00 0.00 176.76 174.29 2or8 n ASN 99 N -2.50 2.71 -4.78 -2.13 5.15 -1.25 -5.11 115.26 107.37 2or8 n ASN 99 Ca -0.15 -3.15 -0.41 0.00 -0.60 0.00 0.00 54.58 50.28 2or8 n ASN 99 Cb 0.60 -0.41 -0.00 0.00 -0.53 0.00 0.00 39.78 39.43 2or8 n ASN 99 CO 0.00 0.00 0.00 -1.81 1.40 0.00 0.00 177.26 176.85 2or8 s ASP 100 N -3.29 6.39 -0.50 1.20 1.11 -1.26 -4.60 116.67 115.71 2or8 s ASP 100 Ca 0.40 2.94 -0.25 0.00 0.18 0.00 0.00 52.55 55.82 2or8 s ASP 100 Cb 0.38 -2.66 0.03 0.00 1.07 0.00 0.00 42.92 41.74 2or8 s ASP 100 CO -0.04 -0.83 0.95 -1.58 1.18 0.00 0.00 175.17 174.85 2or8 s GLN 101 N -2.07 3.47 0.01 8.23 0.74 -0.55 -4.89 119.66 124.58 2or8 s GLN 101 Ca 0.53 0.03 0.04 0.00 0.05 0.00 0.00 55.36 56.01 2or8 s GLN 101 Cb -0.44 -3.97 -0.03 0.00 1.10 0.00 0.00 33.01 29.66 2or8 s GLN 101 CO 0.60 -1.35 -0.07 0.15 -0.55 0.00 0.00 175.29 174.07 2or8 s LYS 102 N 3.92 2.52 -0.09 1.67 1.02 -1.26 0.19 119.74 127.70 2or8 s LYS 102 Ca 0.35 -0.74 -0.03 0.00 0.02 0.00 0.00 55.97 55.57 2or8 s LYS 102 Cb -0.11 -2.48 0.05 0.00 -0.52 0.00 0.00 37.83 34.77 2or8 s LYS 102 CO 0.24 0.60 0.12 0.08 -0.92 0.00 0.00 175.35 175.46 2or8 s VAL 103 N -1.00 -0.19 -0.19 3.17 1.01 -0.09 -4.99 120.40 118.12 2or8 s VAL 103 Ca 0.17 0.26 -0.10 0.00 0.00 0.00 0.00 61.98 62.32 2or8 s VAL 103 Cb -0.11 -0.32 -0.05 0.00 0.00 0.00 0.00 36.38 35.90 2or8 s VAL 103 CO 0.08 0.06 0.14 -0.89 0.00 0.00 0.00 175.10 174.49 2or8 s THR 104 N 2.23 5.42 0.23 3.92 2.01 -1.26 -0.80 115.64 127.39 2or8 s THR 104 Ca 0.04 0.20 0.09 0.00 0.31 0.00 0.00 61.69 62.33 2or8 s THR 104 Cb -0.13 -3.47 -0.04 0.00 0.01 0.00 0.00 72.50 68.87 2or8 s THR 104 CO -0.06 0.46 -0.01 -0.36 -0.69 0.00 0.00 174.62 173.97 2or8 s PHE 105 N 0.18 2.75 -0.42 4.92 0.40 0.39 -1.52 117.98 124.68 2or8 s PHE 105 Ca 0.09 -0.19 0.02 0.00 -0.60 0.00 0.00 56.93 56.25 2or8 s PHE 105 Cb -0.11 -1.27 0.12 0.00 0.51 0.00 0.00 43.02 42.27 2or8 s PHE 105 CO -0.01 0.57 0.19 0.45 0.70 0.00 0.00 175.22 177.12 2or8 s SER 106 N -3.36 4.05 -0.00 1.36 0.15 0.63 -0.55 113.70 115.99 2or8 s SER 106 Ca 0.29 -2.46 -0.16 0.00 0.70 0.00 0.00 55.95 54.32 2or8 s SER 106 Cb -0.08 -1.24 -0.06 0.00 -1.71 0.00 0.00 66.02 62.94 2or8 s SER 106 CO 0.19 -0.30 0.45 -0.22 1.20 0.00 0.00 173.24 174.56 2or8 s LEU 107 N 0.52 4.46 -0.19 3.45 2.96 0.17 -1.99 118.68 128.05 2or8 s LEU 107 Ca 0.15 1.01 -0.04 0.00 -0.22 0.00 0.00 54.13 55.03 2or8 s LEU 107 Cb -0.23 -2.67 0.07 0.00 0.50 0.00 0.00 46.19 43.86 2or8 s LEU 107 CO -0.06 0.27 0.08 -1.58 -1.32 0.00 0.00 176.35 173.74 2or8 s GLN 108 N -0.83 0.29 -0.26 1.98 0.74 -0.98 -0.56 119.66 120.04 2or8 s GLN 108 Ca 0.25 -0.27 -0.08 0.00 0.05 0.00 0.00 55.36 55.31 2or8 s GLN 108 Cb -0.17 -1.87 -0.02 0.00 1.10 0.00 0.00 33.01 32.05 2or8 s GLN 108 CO 0.14 -0.71 0.08 0.08 -0.55 0.00 0.00 175.29 174.34 2or8 s VAL 109 N 2.03 4.31 0.24 1.34 1.01 -1.26 -1.87 120.40 126.19 2or8 s VAL 109 Ca 0.02 -0.27 0.09 0.00 0.00 0.00 0.00 61.98 61.82 2or8 s VAL 109 Cb -0.16 -3.07 -0.05 0.00 0.00 0.00 0.00 36.38 33.10 2or8 s VAL 109 CO -0.12 0.27 -0.16 -0.54 0.00 0.00 0.00 175.10 174.54 2or8 s LYS 110 N 1.60 1.48 0.61 2.72 1.02 -1.06 -4.15 119.74 121.95 2or8 s LYS 110 Ca 0.06 -1.67 -0.19 0.00 0.02 0.00 0.00 55.97 54.18 2or8 s LYS 110 Cb -0.16 -1.38 -0.03 0.00 -0.52 0.00 0.00 37.83 35.75 2or8 s LYS 110 CO 0.04 0.24 1.32 -2.14 -0.92 0.00 0.00 175.35 173.88 2or8 s PRO 111 N -3.60 2.80 0.25 -1.68 0.02 -1.26 -2.08 135.00 129.46 2or8 s PRO 111 Ca 0.26 2.12 0.13 0.00 0.02 0.00 0.00 61.00 63.52 2or8 s PRO 111 Cb -0.02 -2.01 0.14 0.00 0.02 0.00 0.00 34.50 32.63 2or8 s PRO 111 CO 0.10 -1.42 1.47 1.49 -0.33 0.00 0.00 177.00 178.32 2or8 h GLU 112 N 0.92 0.00 -3.31 5.54 4.81 -1.93 -3.45 114.58 117.15 2or8 h GLU 112 Ca -0.51 0.00 -0.21 0.00 -0.13 0.00 0.00 59.36 58.51 2or8 h GLU 112 Cb 1.32 0.00 -0.29 0.00 0.63 0.00 0.00 28.75 30.41 2or8 h GLU 112 CO 0.55 0.64 -0.57 -1.17 -0.73 0.00 0.00 179.01 177.73 2or8 s LEU 113 N -6.79 1.08 -0.29 1.64 1.98 -1.26 -5.13 118.68 109.90 2or8 s LEU 113 Ca 0.02 0.31 -0.01 0.00 -2.89 0.00 0.00 54.13 51.56 2or8 s LEU 113 Cb 0.10 0.45 0.09 0.00 0.66 0.00 0.00 46.19 47.48 2or8 s LEU 113 CO 0.76 -0.10 0.07 -0.69 -1.89 0.00 0.00 176.35 174.50 2or8 s VAL 114 N 0.62 1.01 0.57 1.68 1.01 -1.26 -5.13 120.40 118.90 2or8 s VAL 114 Ca -0.05 -1.34 -0.16 0.00 0.00 0.00 0.00 61.98 60.43 2or8 s VAL 114 Cb -0.06 -1.67 -0.14 0.00 0.00 0.00 0.00 36.38 34.51 2or8 s VAL 114 CO -0.03 -0.55 -0.26 -2.65 0.00 0.00 0.00 175.10 171.61 2or8 n PRO 115 N 4.81 0.00 0.00 2.72 -0.02 -1.26 -5.25 135.00 136.00 2or8 n PRO 115 Ca -0.04 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.44 2or8 n PRO 115 Cb 0.43 -0.92 0.00 0.00 -0.02 0.00 0.00 33.50 32.99 2or8 n PRO 115 CO 0.00 0.00 0.00 -2.13 1.98 0.00 0.00 175.50 175.35