#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1neu s VAL 2 N 0.00 0.01 -0.12 9.51 0.11 -1.08 -5.04 120.40 123.79 1neu s VAL 2 Ca 0.00 -0.06 -0.00 0.00 -2.93 0.00 0.00 61.98 58.99 1neu s VAL 2 Cb 0.00 -0.43 -0.02 0.00 -1.53 0.00 0.00 36.38 34.40 1neu s VAL 2 CO 0.00 -0.03 -0.10 -0.69 -3.33 0.00 0.00 175.10 170.95 1neu s VAL 3 N -0.01 3.34 -0.06 2.04 1.01 -1.26 -1.98 120.40 123.47 1neu s VAL 3 Ca -0.02 -0.57 0.02 0.00 0.00 0.00 0.00 61.98 61.42 1neu s VAL 3 Cb -0.02 -2.41 -0.03 0.00 0.00 0.00 0.00 36.38 33.92 1neu s VAL 3 CO 0.01 0.53 -0.11 -0.31 0.00 0.00 0.00 175.10 175.22 1neu s TYR 4 N 0.07 2.80 0.20 5.22 2.02 -0.30 -4.81 117.35 122.55 1neu s TYR 4 Ca -0.04 -0.13 -0.08 0.00 -0.37 0.00 0.00 57.07 56.45 1neu s TYR 4 Cb -0.14 -1.68 -0.01 0.00 -0.40 0.00 0.00 41.96 39.72 1neu s TYR 4 CO 0.04 0.20 0.31 0.95 -1.57 0.00 0.00 175.55 175.48 1neu s THR 5 N -0.66 0.03 0.58 -0.71 -4.23 -1.26 -2.57 115.64 106.82 1neu s THR 5 Ca 0.10 -1.54 -0.10 0.00 -1.18 0.00 0.00 61.69 58.97 1neu s THR 5 Cb -0.11 -2.11 -0.04 0.00 1.34 0.00 0.00 72.50 71.57 1neu s THR 5 CO 0.01 -0.14 0.98 -1.81 -0.54 0.00 0.00 174.62 173.12 1neu s ASP 6 N -3.03 6.26 -0.04 3.99 1.01 -1.26 -5.01 116.67 118.58 1neu s ASP 6 Ca 0.24 1.32 -0.23 0.00 0.71 0.00 0.00 52.55 54.60 1neu s ASP 6 Cb 0.03 -2.43 -0.26 0.00 1.01 0.00 0.00 42.92 41.28 1neu s ASP 6 CO 0.06 -0.79 0.99 -0.09 0.21 0.00 0.00 175.17 175.55 1neu h ARG 7 N -0.14 0.27 -3.96 8.23 2.43 -1.95 -3.36 114.38 115.90 1neu h ARG 7 Ca -0.45 -0.34 -0.14 0.00 -0.81 0.00 0.00 59.98 58.25 1neu h ARG 7 Cb 1.19 0.11 -0.18 0.00 -0.42 0.00 0.00 29.97 30.67 1neu h ARG 7 CO 0.62 1.07 -0.61 -1.21 -1.51 0.00 0.00 179.97 178.33 1neu s GLU 8 N -2.88 0.52 -0.00 0.20 2.02 -1.26 -1.52 118.70 115.78 1neu s GLU 8 Ca -0.15 -0.83 0.00 0.00 0.02 0.00 0.00 54.97 54.02 1neu s GLU 8 Cb 0.01 0.19 -0.00 0.00 0.10 0.00 0.00 34.13 34.44 1neu s GLU 8 CO 0.79 -0.11 -0.01 0.14 0.02 0.00 0.00 175.26 176.08 1neu s VAL 9 N -2.62 0.11 -0.07 2.63 -7.23 0.21 -4.88 120.40 108.54 1neu s VAL 9 Ca -0.05 -0.07 0.01 0.00 -1.81 0.00 0.00 61.98 60.06 1neu s VAL 9 Cb -0.01 -0.10 -0.03 0.00 0.56 0.00 0.00 36.38 36.80 1neu s VAL 9 CO -0.05 0.02 -0.09 -0.31 -0.31 0.00 0.00 175.10 174.36 1neu s TYR 10 N -0.05 2.86 0.06 2.82 2.02 -1.26 -1.74 117.35 122.05 1neu s TYR 10 Ca 0.00 -0.12 0.01 0.00 -0.37 0.00 0.00 57.07 56.60 1neu s TYR 10 Cb -0.01 -1.72 -0.03 0.00 -0.40 0.00 0.00 41.96 39.80 1neu s TYR 10 CO -0.00 0.21 -0.06 0.20 -1.57 0.00 0.00 175.55 174.33 1neu s GLY 11 N -0.59 0.54 0.09 0.71 0.00 -0.29 -4.97 107.32 102.81 1neu s GLY 11 Ca 0.09 -0.98 -0.06 0.00 0.00 0.00 0.00 44.72 43.76 1neu s GLY 11 CO 0.02 -1.06 0.34 0.00 0.00 0.00 0.00 173.10 172.39 1neu s ALA 12 N -2.46 3.81 0.48 3.20 0.00 -1.26 -1.14 121.76 124.39 1neu s ALA 12 Ca -0.02 -0.55 -0.24 0.00 0.00 0.00 0.00 51.96 51.15 1neu s ALA 12 Cb -0.03 -2.12 -0.07 0.00 0.00 0.00 0.00 23.12 20.90 1neu s ALA 12 CO -0.03 0.66 1.40 0.08 0.00 0.00 0.00 175.76 177.87 1neu s VAL 13 N -1.50 2.09 0.00 0.00 1.01 -0.94 -2.01 120.40 119.05 1neu s VAL 13 Ca 0.35 0.07 0.00 0.00 0.00 0.00 0.00 61.98 62.41 1neu s VAL 13 Cb -0.13 -3.04 0.00 0.00 0.00 0.00 0.00 36.38 33.21 1neu s VAL 13 CO 0.21 0.01 0.00 0.61 0.00 0.00 0.00 175.10 175.93 1neu n GLY 14 N 0.62 0.45 0.26 4.51 0.00 0.89 -4.89 105.19 107.04 1neu n GLY 14 Ca 0.06 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 46.07 1neu n GLY 14 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1neu n SER 15 N -0.21 1.28 -4.37 1.61 2.88 -0.85 -4.66 113.62 109.31 1neu n SER 15 Ca 0.00 -1.14 -0.19 0.00 -1.33 0.00 0.00 58.87 56.22 1neu n SER 15 Cb 0.11 0.00 -0.10 0.00 -0.75 0.00 0.00 64.21 63.47 1neu n SER 15 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1neu s GLN 16 N -2.15 1.40 -0.06 -1.46 -2.07 -1.26 -0.53 119.66 113.53 1neu s GLN 16 Ca 0.02 -1.68 -0.07 0.00 -1.82 0.00 0.00 55.36 51.81 1neu s GLN 16 Cb -0.00 -0.97 0.02 0.00 -1.09 0.00 0.00 33.01 30.97 1neu s GLN 16 CO 0.01 0.04 0.18 0.54 -1.32 0.00 0.00 175.29 174.74 1neu s VAL 17 N -3.13 0.01 -0.18 3.63 0.11 -0.62 -4.86 120.40 115.36 1neu s VAL 17 Ca 0.26 -0.10 -0.09 0.00 -2.93 0.00 0.00 61.98 59.12 1neu s VAL 17 Cb 0.03 -0.29 -0.05 0.00 -1.53 0.00 0.00 36.38 34.55 1neu s VAL 17 CO 0.09 -0.06 0.11 0.28 -3.33 0.00 0.00 175.10 172.19 1neu s THR 18 N -0.13 5.26 -0.49 5.04 -1.32 -1.26 -1.44 115.64 121.29 1neu s THR 18 Ca -0.02 0.13 -0.16 0.00 -1.21 0.00 0.00 61.69 60.43 1neu s THR 18 Cb -0.02 -3.38 0.09 0.00 -1.51 0.00 0.00 72.50 67.68 1neu s THR 18 CO 0.00 0.47 0.44 -0.76 -2.21 0.00 0.00 174.62 172.56 1neu s LEU 19 N 0.14 5.77 0.29 9.08 1.43 -0.11 -5.01 118.68 130.27 1neu s LEU 19 Ca 0.08 -1.45 -0.29 0.00 -1.03 0.00 0.00 54.13 51.44 1neu s LEU 19 Cb -0.11 -2.20 -0.09 0.00 0.03 0.00 0.00 46.19 43.81 1neu s LEU 19 CO -0.01 -0.72 1.06 -2.28 0.23 0.00 0.00 176.35 174.64 1neu s HIS 20 N 1.67 3.60 -0.17 0.29 5.65 -1.26 -2.60 115.29 122.47 1neu s HIS 20 Ca 0.04 1.73 -0.10 0.00 0.25 0.00 0.00 55.06 56.98 1neu s HIS 20 Cb -0.26 -3.20 0.06 0.00 -1.18 0.00 0.00 32.58 28.00 1neu s HIS 20 CO 0.06 -0.38 0.42 0.00 -0.65 0.00 0.00 174.74 174.18 1neu s SER 22 N 1.33 -0.29 0.05 0.00 1.04 -1.06 -1.00 113.70 113.77 1neu s SER 22 Ca -0.09 -0.38 0.01 0.00 0.48 0.00 0.00 55.95 55.97 1neu s SER 22 Cb -0.08 0.55 -0.03 0.00 0.10 0.00 0.00 66.02 66.56 1neu s SER 22 CO -0.12 -0.99 -0.06 0.72 0.98 0.00 0.00 173.24 173.77 1neu s PHE 23 N -3.84 0.62 0.03 5.02 -0.71 -0.87 -1.15 117.98 117.07 1neu s PHE 23 Ca 0.07 -0.62 0.01 0.00 -1.04 0.00 0.00 56.93 55.34 1neu s PHE 23 Cb -0.00 -0.38 -0.02 0.00 -1.21 0.00 0.00 43.02 41.41 1neu s PHE 23 CO -0.07 -0.14 -0.04 -0.46 -1.34 0.00 0.00 175.22 173.17 1neu s TRP 24 N -1.97 0.39 -0.03 3.49 -0.00 -0.84 -4.84 118.94 115.14 1neu s TRP 24 Ca -0.06 -0.53 -0.05 0.00 -0.00 0.00 0.00 56.10 55.47 1neu s TRP 24 Cb -0.06 -0.26 0.01 0.00 -0.00 0.00 0.00 33.47 33.16 1neu s TRP 24 CO -0.02 -0.16 0.11 0.45 -0.00 0.00 0.00 176.95 177.33 1neu s SER 25 N -1.51 -0.05 0.52 5.86 0.15 -1.26 -2.29 113.70 115.11 1neu s SER 25 Ca -0.14 0.05 0.31 0.00 0.70 0.00 0.00 55.95 56.87 1neu s SER 25 Cb -0.10 0.22 1.12 0.00 -1.71 0.00 0.00 66.02 65.56 1neu s SER 25 CO -0.01 -0.15 1.89 0.77 1.20 0.00 0.00 173.24 176.94 1neu h SER 26 N 5.39 0.00 -2.04 5.45 4.64 -2.01 -3.45 113.55 121.53 1neu h SER 26 Ca -0.27 0.00 -0.52 0.00 -0.47 0.00 0.00 61.79 60.53 1neu h SER 26 Cb 1.20 0.00 -0.06 0.00 -0.31 0.00 0.00 62.40 63.23 1neu h SER 26 CO 0.42 0.00 -0.53 -1.61 -0.87 0.00 0.00 176.83 174.25 1neu s GLU 27 N -3.55 2.66 0.37 4.77 8.01 -1.26 -5.09 118.70 124.60 1neu s GLU 27 Ca 0.03 -1.27 -0.28 0.00 0.01 0.00 0.00 54.97 53.45 1neu s GLU 27 Cb 0.08 -2.40 -0.11 0.00 -4.31 0.00 0.00 34.13 27.39 1neu s GLU 27 CO 0.57 0.26 1.48 -0.46 0.01 0.00 0.00 175.26 177.11 1neu s TRP 28 N -2.27 2.64 -0.03 1.61 -0.00 -1.26 -5.02 118.94 114.61 1neu s TRP 28 Ca 0.36 1.17 -0.01 0.00 -0.00 0.00 0.00 56.10 57.62 1neu s TRP 28 Cb -0.06 -4.00 0.03 0.00 -0.00 0.00 0.00 33.47 29.44 1neu s TRP 28 CO 0.24 -2.92 0.06 0.08 -0.00 0.00 0.00 176.95 174.41 1neu s VAL 29 N -1.06 -0.05 0.99 5.86 1.01 -1.26 -5.14 120.40 120.76 1neu s VAL 29 Ca 0.53 0.17 -0.12 0.00 0.00 0.00 0.00 61.98 62.56 1neu s VAL 29 Cb -0.46 -0.12 0.19 0.00 0.00 0.00 0.00 36.38 35.99 1neu s VAL 29 CO 0.61 0.07 1.08 -0.94 0.00 0.00 0.00 175.10 175.93 1neu s SER 30 N 0.91 2.60 -0.03 3.32 1.04 -1.26 -4.94 113.70 115.35 1neu s SER 30 Ca -0.07 1.37 0.05 0.00 0.48 0.00 0.00 55.95 57.78 1neu s SER 30 Cb -0.10 -2.05 0.20 0.00 0.10 0.00 0.00 66.02 64.17 1neu s SER 30 CO -0.03 -3.17 1.01 -0.90 0.98 0.00 0.00 173.24 171.13 1neu n ASP 31 N -4.22 1.66 -4.07 7.02 5.75 -1.26 -4.50 116.55 116.93 1neu n ASP 31 Ca 0.06 -2.12 -0.43 0.00 -0.01 0.00 0.00 54.79 52.29 1neu n ASP 31 Cb 0.56 -0.33 0.00 0.00 -1.03 0.00 0.00 41.12 40.32 1neu n ASP 31 CO 0.00 0.00 0.00 -0.67 -0.11 0.00 0.00 177.20 176.42 1neu n ASP 32 N 0.13 5.08 -4.24 -1.12 -0.08 -1.26 -4.88 116.55 110.18 1neu n ASP 32 Ca 0.07 -3.05 -0.18 0.00 -1.51 0.00 0.00 54.79 50.12 1neu n ASP 32 Cb 0.33 -1.52 -0.11 0.00 2.34 0.00 0.00 41.12 42.16 1neu n ASP 32 CO 0.00 0.00 0.00 0.27 0.12 0.00 0.00 177.20 177.59 1neu s ILE 33 N 0.99 1.34 0.11 5.18 -4.36 -1.26 -4.68 121.20 118.52 1neu s ILE 33 Ca 0.41 -1.69 0.09 0.00 -0.26 0.00 0.00 60.65 59.20 1neu s ILE 33 Cb 0.06 -1.51 -0.04 0.00 1.25 0.00 0.00 42.46 42.22 1neu s ILE 33 CO 0.00 -0.39 -0.24 -0.94 0.24 0.00 0.00 174.94 173.61 1neu s SER 34 N -2.40 2.90 -0.07 4.36 1.04 -0.47 -4.51 113.70 114.54 1neu s SER 34 Ca 0.08 -0.71 0.04 0.00 0.48 0.00 0.00 55.95 55.84 1neu s SER 34 Cb -0.05 -0.18 0.00 0.00 0.10 0.00 0.00 66.02 65.89 1neu s SER 34 CO 0.03 0.12 -0.20 -0.36 0.98 0.00 0.00 173.24 173.81 1neu s PHE 35 N -1.11 2.08 -0.07 5.02 0.08 -0.85 -1.93 117.98 121.21 1neu s PHE 35 Ca 0.10 -0.75 0.02 0.00 0.12 0.00 0.00 56.93 56.42 1neu s PHE 35 Cb -0.10 -1.41 0.02 0.00 -0.57 0.00 0.00 43.02 40.96 1neu s PHE 35 CO 0.05 -0.30 -0.10 0.99 -0.10 0.00 0.00 175.22 175.76 1neu s THR 36 N 0.27 0.99 -0.20 0.64 2.01 -0.67 -0.94 115.64 117.74 1neu s THR 36 Ca -0.12 -0.37 -0.06 0.00 0.31 0.00 0.00 61.69 61.44 1neu s THR 36 Cb -0.15 -0.94 -0.03 0.00 0.01 0.00 0.00 72.50 71.39 1neu s THR 36 CO 0.05 0.33 0.03 0.26 -0.69 0.00 0.00 174.62 174.60 1neu s TRP 37 N 0.86 3.11 0.11 4.92 0.52 -0.17 -1.45 118.94 126.84 1neu s TRP 37 Ca -0.11 -0.27 0.10 0.00 0.02 0.00 0.00 56.10 55.83 1neu s TRP 37 Cb -0.15 -2.10 -0.04 0.00 -1.15 0.00 0.00 33.47 30.03 1neu s TRP 37 CO 0.01 -0.13 -0.23 1.03 0.02 0.00 0.00 176.95 177.66 1neu s ARG 38 N 0.88 1.66 -0.06 4.98 0.52 -0.58 -0.24 118.95 126.12 1neu s ARG 38 Ca 0.02 -1.22 0.05 0.00 -0.52 0.00 0.00 55.73 54.06 1neu s ARG 38 Cb -0.14 -2.02 -0.00 0.00 0.52 0.00 0.00 34.95 33.31 1neu s ARG 38 CO 0.02 0.48 -0.20 -0.47 0.02 0.00 0.00 175.30 175.15 1neu s TYR 39 N -1.05 2.01 -0.22 -0.53 5.04 0.12 -0.99 117.35 121.73 1neu s TYR 39 Ca 0.15 -0.63 0.01 0.00 -2.44 0.00 0.00 57.07 54.16 1neu s TYR 39 Cb -0.10 -1.35 0.05 0.00 0.35 0.00 0.00 41.96 40.91 1neu s TYR 39 CO 0.07 -0.22 -0.07 -1.14 -1.34 0.00 0.00 175.55 172.85 1neu s GLN 40 N 0.06 1.72 0.70 4.97 0.74 -0.37 -0.91 119.66 126.57 1neu s GLN 40 Ca -0.06 -0.91 -0.16 0.00 0.05 0.00 0.00 55.36 54.28 1neu s GLN 40 Cb -0.13 -2.49 0.02 0.00 1.10 0.00 0.00 33.01 31.51 1neu s GLN 40 CO 0.04 -0.54 1.20 -1.25 -0.55 0.00 0.00 175.29 174.19 1neu s PRO 41 N 1.41 2.33 -0.01 1.67 0.04 -1.26 -1.00 135.00 138.18 1neu s PRO 41 Ca -0.04 1.75 -0.35 0.00 0.04 0.00 0.00 61.00 62.40 1neu s PRO 41 Cb -0.18 -1.86 -0.14 0.00 0.04 0.00 0.00 34.50 32.37 1neu s PRO 41 CO -0.07 -1.69 1.68 -1.91 0.04 0.00 0.00 177.00 175.05 1neu n GLU 42 N -2.51 1.87 -0.85 4.56 2.13 -0.92 -0.74 120.64 124.17 1neu n GLU 42 Ca 0.13 0.68 0.00 0.00 0.66 0.00 0.00 57.16 58.63 1neu n GLU 42 Cb 0.50 -2.45 0.00 0.00 0.27 0.00 0.00 31.44 29.76 1neu n GLU 42 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1neu n GLY 43 N 3.77 0.68 3.85 8.31 0.00 -1.26 -5.01 105.19 115.53 1neu n GLY 43 Ca 0.21 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.98 1neu n GLY 43 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1neu s GLY 44 N -1.96 2.33 0.00 -0.02 0.00 0.08 -5.07 107.32 102.69 1neu s GLY 44 Ca 0.00 -1.58 0.00 0.00 0.00 0.00 0.00 44.72 43.14 1neu s GLY 44 CO 0.00 -1.89 0.43 0.54 0.00 0.00 0.00 173.10 172.18 1neu n ARG 45 N -1.57 -0.09 -3.31 2.90 1.74 -1.26 -4.84 116.66 110.24 1neu n ARG 45 Ca -0.01 -0.50 -0.38 0.00 -0.77 0.00 0.00 57.85 56.19 1neu n ARG 45 Cb 0.64 -0.82 -0.06 0.00 -1.02 0.00 0.00 32.46 31.20 1neu n ARG 45 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 1neu s ASP 46 N -0.14 6.68 -0.42 0.55 1.01 -1.26 -5.07 116.67 118.02 1neu s ASP 46 Ca 0.00 0.81 -0.11 0.00 0.71 0.00 0.00 52.55 53.96 1neu s ASP 46 Cb 0.00 -2.29 0.07 0.00 1.01 0.00 0.00 42.92 41.71 1neu s ASP 46 CO 0.00 -0.02 0.28 0.00 0.21 0.00 0.00 175.17 175.65 1neu s ALA 47 N 0.71 3.34 -0.12 5.23 0.00 -1.26 -4.19 121.76 125.47 1neu s ALA 47 Ca 0.26 -2.09 -0.14 0.00 0.00 0.00 0.00 51.96 49.99 1neu s ALA 47 Cb -0.15 -2.73 -0.05 0.00 0.00 0.00 0.00 23.12 20.19 1neu s ALA 47 CO 0.10 -1.64 0.33 0.42 0.00 0.00 0.00 175.76 174.98 1neu s ILE 48 N 1.48 5.25 0.07 0.00 -1.09 -0.09 -4.75 121.20 122.07 1neu s ILE 48 Ca 0.03 0.63 -0.31 0.00 -2.23 0.00 0.00 60.65 58.78 1neu s ILE 48 Cb -0.23 -3.66 -0.06 0.00 -1.58 0.00 0.00 42.46 36.94 1neu s ILE 48 CO 0.04 0.43 1.20 -0.94 -1.23 0.00 0.00 174.94 174.44 1neu s SER 49 N 0.10 7.08 -0.00 3.58 1.04 -1.26 0.11 113.70 124.34 1neu s SER 49 Ca 0.19 2.02 0.04 0.00 0.48 0.00 0.00 55.95 58.69 1neu s SER 49 Cb -0.14 -2.58 -0.06 0.00 0.10 0.00 0.00 66.02 63.34 1neu s SER 49 CO 0.06 -0.47 0.13 2.30 0.98 0.00 0.00 173.24 176.25 1neu n ILE 50 N 3.87 0.00 -3.64 -1.02 -5.35 0.67 -4.92 119.36 108.98 1neu n ILE 50 Ca 0.09 -0.20 -0.15 0.00 -0.27 0.00 0.00 62.75 62.22 1neu n ILE 50 Cb 0.46 0.60 -0.08 0.00 -1.74 0.00 0.00 39.64 38.89 1neu n ILE 50 CO 0.00 0.00 0.00 0.12 -1.76 0.00 0.00 176.55 174.91 1neu s PHE 51 N -2.01 -0.59 -0.04 4.28 5.36 -1.19 -2.21 117.98 121.58 1neu s PHE 51 Ca -0.01 1.26 -0.05 0.00 -0.96 0.00 0.00 56.93 57.17 1neu s PHE 51 Cb 0.03 0.26 0.01 0.00 -0.34 0.00 0.00 43.02 42.98 1neu s PHE 51 CO 0.18 -0.41 0.14 -1.58 -1.46 0.00 0.00 175.22 172.09 1neu s HIS 52 N -0.37 -0.12 -0.04 10.12 5.65 -0.30 -1.00 115.29 129.23 1neu s HIS 52 Ca -0.05 0.29 0.01 0.00 0.25 0.00 0.00 55.06 55.57 1neu s HIS 52 Cb -0.03 0.03 0.02 0.00 -1.18 0.00 0.00 32.58 31.42 1neu s HIS 52 CO 0.04 -0.11 -0.05 -0.47 -0.65 0.00 0.00 174.74 173.50 1neu s TYR 53 N -0.15 0.79 -0.11 3.88 6.14 -0.12 0.29 117.35 128.07 1neu s TYR 53 Ca -0.02 -0.22 -0.30 0.00 0.64 0.00 0.00 57.07 57.17 1neu s TYR 53 Cb -0.02 -0.66 0.10 0.00 0.42 0.00 0.00 41.96 41.80 1neu s TYR 53 CO 0.00 -0.17 0.87 0.00 0.64 0.00 0.00 175.55 176.89 1neu s ALA 54 N 0.76 -1.87 -1.59 3.97 0.00 -0.69 -2.00 121.76 120.35 1neu s ALA 54 Ca -0.11 1.46 -0.11 0.00 0.00 0.00 0.00 51.96 53.20 1neu s ALA 54 Cb -0.13 -0.39 0.09 0.00 0.00 0.00 0.00 23.12 22.69 1neu s ALA 54 CO 0.01 -0.35 0.64 1.63 0.00 0.00 0.00 175.76 177.69 1neu n LYS 55 N 0.75 -3.27 -0.84 0.00 4.76 -1.26 -0.82 118.16 117.48 1neu n LYS 55 Ca -0.13 0.39 0.00 0.00 -2.87 0.00 0.00 58.31 55.69 1neu n LYS 55 Cb 0.58 -4.87 0.00 0.00 -1.84 0.00 0.00 35.03 28.90 1neu n LYS 55 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1neu n GLY 56 N -1.66 0.64 3.38 0.72 0.00 -1.26 -5.01 105.19 102.00 1neu n GLY 56 Ca -0.07 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.62 1neu n GLY 56 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1neu s GLN 57 N -0.36 3.31 0.09 1.61 1.11 0.00 -5.13 119.66 120.30 1neu s GLN 57 Ca 0.00 -0.68 -0.11 0.00 0.01 0.00 0.00 55.36 54.57 1neu s GLN 57 Cb 0.00 -2.61 -0.06 0.00 -1.01 0.00 0.00 33.01 29.33 1neu s GLN 57 CO 0.00 0.25 0.44 -1.25 0.01 0.00 0.00 175.29 174.74 1neu s PRO 58 N 0.25 3.83 -0.12 2.91 0.05 -1.26 -1.70 135.00 138.96 1neu s PRO 58 Ca -0.09 0.28 -0.01 0.00 0.05 0.00 0.00 61.00 61.23 1neu s PRO 58 Cb -0.15 -3.00 0.03 0.00 0.05 0.00 0.00 34.50 31.43 1neu s PRO 58 CO 0.05 0.55 -0.04 0.71 0.05 0.00 0.00 177.00 178.32 1neu s TYR 59 N -1.39 1.31 -0.11 0.56 2.02 0.15 -4.99 117.35 114.90 1neu s TYR 59 Ca 0.34 -0.71 -0.01 0.00 -0.37 0.00 0.00 57.07 56.32 1neu s TYR 59 Cb -0.14 -1.14 -0.03 0.00 -0.40 0.00 0.00 41.96 40.25 1neu s TYR 59 CO 0.18 -0.51 -0.07 0.42 -1.57 0.00 0.00 175.55 174.00 1neu s ILE 60 N 1.76 3.62 0.22 2.71 1.01 -1.26 -1.15 121.20 128.12 1neu s ILE 60 Ca 0.03 -0.48 -0.30 0.00 0.00 0.00 0.00 60.65 59.90 1neu s ILE 60 Cb -0.14 -2.52 -0.09 0.00 0.01 0.00 0.00 42.46 39.72 1neu s ILE 60 CO -0.07 0.55 1.28 1.51 0.00 0.00 0.00 174.94 178.20 1neu s ASP 61 N -0.22 6.93 0.00 3.58 1.47 -0.94 -4.93 116.67 122.56 1neu s ASP 61 Ca 0.03 2.41 0.07 0.00 1.18 0.00 0.00 52.55 56.24 1neu s ASP 61 Cb -0.13 -2.62 0.21 0.00 -0.34 0.00 0.00 42.92 40.04 1neu s ASP 61 CO 0.03 -0.48 1.17 -0.62 0.68 0.00 0.00 175.17 175.95 1neu n GLU 62 N 2.25 2.91 -0.01 2.11 1.02 -1.26 -4.46 120.64 123.20 1neu n GLU 62 Ca 0.04 -1.87 0.01 0.00 -0.02 0.00 0.00 57.16 55.32 1neu n GLU 62 Cb 0.43 -1.18 -0.04 0.00 -0.02 0.00 0.00 31.44 30.63 1neu n GLU 62 CO 0.00 0.00 0.00 1.55 1.18 0.00 0.00 177.13 179.86 1neu n VAL 63 N 0.19 0.11 -1.59 2.62 3.14 -1.26 -4.88 118.33 116.66 1neu n VAL 63 Ca 0.08 -0.14 0.00 0.00 -2.96 0.00 0.00 64.34 61.32 1neu n VAL 63 Cb 0.37 -0.06 0.00 0.00 -1.06 0.00 0.00 33.84 33.08 1neu n VAL 63 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 1neu n GLY 64 N 2.40 1.35 0.37 7.55 0.00 -1.26 -4.93 105.19 110.67 1neu n GLY 64 Ca -0.03 -1.95 0.15 0.00 0.00 0.00 0.00 46.02 44.18 1neu n GLY 64 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1neu h THR 65 N -0.00 0.82 -0.30 2.61 1.03 -1.98 -2.28 112.91 112.80 1neu h THR 65 Ca 0.00 -0.12 -0.01 0.00 -0.01 0.00 0.00 66.41 66.28 1neu h THR 65 Cb 0.00 0.46 -0.00 0.00 -1.07 0.00 0.00 68.15 67.53 1neu h THR 65 CO 0.00 0.06 0.00 0.49 -0.01 0.00 0.00 175.52 176.06 1neu n PHE 66 N -4.46 1.10 -1.77 0.00 3.72 -1.26 -5.01 117.46 109.78 1neu n PHE 66 Ca 0.12 -0.88 -0.41 0.00 -0.05 0.00 0.00 57.45 56.22 1neu n PHE 66 Cb 0.48 -0.35 -0.01 0.00 -0.94 0.00 0.00 39.48 38.66 1neu n PHE 66 CO 0.00 0.00 0.00 -1.59 -0.05 0.00 0.00 176.76 175.12 1neu s LYS 67 N -2.84 4.11 -0.17 -1.08 -2.85 -0.86 -1.25 119.74 114.80 1neu s LYS 67 Ca 0.44 2.60 0.00 0.00 -1.00 0.00 0.00 55.97 58.01 1neu s LYS 67 Cb 0.35 -3.00 0.00 0.00 -2.06 0.00 0.00 37.83 33.12 1neu s LYS 67 CO 0.09 -0.62 0.00 0.39 0.10 0.00 0.00 175.35 175.31 1neu n GLU 68 N 1.69 -0.81 -0.33 1.78 1.02 -1.26 -4.83 120.64 117.88 1neu n GLU 68 Ca 0.06 0.32 0.04 0.00 -0.02 0.00 0.00 57.16 57.56 1neu n GLU 68 Cb 0.38 -4.00 0.05 0.00 -0.02 0.00 0.00 31.44 27.85 1neu n GLU 68 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 1neu n ARG 69 N -1.55 0.49 -5.16 3.49 1.74 -0.38 -5.00 116.66 110.30 1neu n ARG 69 Ca -0.02 -1.61 -0.32 0.00 -0.77 0.00 0.00 57.85 55.13 1neu n ARG 69 Cb 0.23 -0.89 -0.16 0.00 -1.02 0.00 0.00 32.46 30.62 1neu n ARG 69 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 1neu s ILE 70 N -1.11 2.29 -0.07 0.55 1.01 -1.23 -0.89 121.20 121.74 1neu s ILE 70 Ca 0.12 -0.97 0.02 0.00 0.00 0.00 0.00 60.65 59.82 1neu s ILE 70 Cb 0.11 -1.86 0.01 0.00 0.01 0.00 0.00 42.46 40.73 1neu s ILE 70 CO 0.01 0.57 -0.13 -1.58 0.00 0.00 0.00 174.94 173.81 1neu s GLN 71 N -0.09 1.78 -0.17 2.79 0.74 -0.83 -4.98 119.66 118.90 1neu s GLN 71 Ca -0.05 -0.43 -0.27 0.00 0.05 0.00 0.00 55.36 54.66 1neu s GLN 71 Cb -0.14 -1.47 -0.01 0.00 1.10 0.00 0.00 33.01 32.49 1neu s GLN 71 CO 0.04 0.02 0.90 -0.46 -0.55 0.00 0.00 175.29 175.24 1neu s TRP 72 N 0.70 3.42 -0.05 1.67 -0.11 -1.26 -1.41 118.94 121.89 1neu s TRP 72 Ca -0.14 1.35 0.08 0.00 1.22 0.00 0.00 56.10 58.61 1neu s TRP 72 Cb -0.16 -3.09 0.12 0.00 -1.50 0.00 0.00 33.47 28.84 1neu s TRP 72 CO 0.03 -0.28 1.00 1.33 -4.62 0.00 0.00 176.95 174.41 1neu n VAL 73 N 4.81 0.91 -2.43 5.86 0.24 -0.47 -4.98 118.33 122.28 1neu n VAL 73 Ca 0.07 -1.07 -0.22 0.00 -2.04 0.00 0.00 64.34 61.08 1neu n VAL 73 Cb 0.48 0.27 0.12 0.00 -1.47 0.00 0.00 33.84 33.24 1neu n VAL 73 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1neu n GLY 74 N -0.65 0.24 2.87 7.63 0.00 -0.89 -4.75 105.19 109.63 1neu n GLY 74 Ca 0.06 -1.96 -0.12 0.00 0.00 0.00 0.00 46.02 44.01 1neu n GLY 74 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1neu s ASP 75 N -4.79 0.65 0.43 1.61 -1.08 0.11 -4.96 116.67 108.65 1neu s ASP 75 Ca 0.61 -0.12 0.14 0.00 -0.52 0.00 0.00 52.55 52.66 1neu s ASP 75 Cb -0.03 0.92 1.03 0.00 -1.46 0.00 0.00 42.92 43.39 1neu s ASP 75 CO 0.41 -0.33 1.98 -0.65 0.52 0.00 0.00 175.17 177.10 1neu h PRO 76 N 8.21 0.40 -0.40 4.34 0.11 -1.95 0.68 132.00 143.38 1neu h PRO 76 Ca -0.16 -0.02 -0.02 0.00 0.11 0.00 0.00 66.00 65.91 1neu h PRO 76 Cb 1.13 -0.09 -0.02 0.00 0.11 0.00 0.00 31.00 32.14 1neu h PRO 76 CO 0.28 0.26 0.19 0.77 -0.21 0.00 0.00 178.00 179.29 1neu h SER 77 N 0.41 0.50 -0.66 -2.05 0.02 -1.92 -1.69 113.55 108.15 1neu h SER 77 Ca 0.28 -0.04 0.00 0.00 -0.84 0.00 0.00 61.79 61.19 1neu h SER 77 Cb 0.56 -0.13 0.00 0.00 0.14 0.00 0.00 62.40 62.97 1neu h SER 77 CO -0.08 0.44 0.00 0.79 -1.14 0.00 0.00 176.83 176.84 1neu n TRP 78 N -4.40 1.55 -2.88 3.45 7.02 0.16 -4.93 117.44 117.40 1neu n TRP 78 Ca 0.03 -0.61 -0.21 0.00 -1.02 0.00 0.00 57.50 55.69 1neu n TRP 78 Cb 0.12 -0.26 0.01 0.00 -2.42 0.00 0.00 31.31 28.77 1neu n TRP 78 CO 0.00 0.00 0.00 1.63 -2.02 0.00 0.00 177.69 177.30 1neu n LYS 79 N 1.16 -3.52 -4.61 -0.99 5.02 -0.64 -4.87 118.16 109.72 1neu n LYS 79 Ca 0.26 0.78 -0.33 0.00 -2.02 0.00 0.00 58.31 57.00 1neu n LYS 79 Cb 0.92 -5.53 -0.14 0.00 -0.02 0.00 0.00 35.03 30.26 1neu n LYS 79 CO 0.00 0.00 0.00 0.34 -0.52 0.00 0.00 177.40 177.22 1neu s ASP 80 N -2.47 4.28 -0.21 4.39 -1.08 -0.77 -2.06 116.67 118.76 1neu s ASP 80 Ca 0.22 -0.27 0.14 0.00 -0.52 0.00 0.00 52.55 52.12 1neu s ASP 80 Cb -0.10 -1.67 0.45 0.00 -1.46 0.00 0.00 42.92 40.13 1neu s ASP 80 CO 0.27 0.16 1.19 0.61 0.52 0.00 0.00 175.17 177.91 1neu n GLY 81 N 3.59 4.37 3.79 2.66 0.00 -0.17 -0.71 105.19 118.71 1neu n GLY 81 Ca -0.18 -1.62 -0.34 0.00 0.00 0.00 0.00 46.02 43.88 1neu n GLY 81 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1neu s SER 82 N -3.22 5.80 0.11 1.61 0.01 -1.24 -4.65 113.70 112.12 1neu s SER 82 Ca 0.40 2.01 0.01 0.00 1.31 0.00 0.00 55.95 59.68 1neu s SER 82 Cb 0.38 -2.56 -0.04 0.00 0.21 0.00 0.00 66.02 64.01 1neu s SER 82 CO -0.05 -1.16 -0.04 0.27 0.41 0.00 0.00 173.24 172.67 1neu s ILE 83 N -2.05 0.60 -0.08 1.44 -4.36 -1.07 -1.37 121.20 114.31 1neu s ILE 83 Ca 0.69 -1.93 0.04 0.00 -0.26 0.00 0.00 60.65 59.19 1neu s ILE 83 Cb -0.20 -1.77 -0.01 0.00 1.25 0.00 0.00 42.46 41.73 1neu s ILE 83 CO 0.29 -0.79 -0.21 -0.69 0.24 0.00 0.00 174.94 173.78 1neu s VAL 84 N -3.69 2.42 -0.27 8.37 1.01 -0.50 -0.93 120.40 126.81 1neu s VAL 84 Ca 0.14 -0.92 -0.10 0.00 0.00 0.00 0.00 61.98 61.10 1neu s VAL 84 Cb 0.06 -1.93 -0.04 0.00 0.00 0.00 0.00 36.38 34.47 1neu s VAL 84 CO -0.03 0.56 0.16 -0.63 0.00 0.00 0.00 175.10 175.16 1neu s ILE 85 N -0.10 5.02 0.21 2.22 -1.09 -0.52 -1.96 121.20 124.98 1neu s ILE 85 Ca -0.04 0.06 0.03 0.00 -2.23 0.00 0.00 60.65 58.47 1neu s ILE 85 Cb -0.14 -3.39 -0.03 0.00 -1.58 0.00 0.00 42.46 37.32 1neu s ILE 85 CO 0.04 0.27 0.35 -1.00 -1.23 0.00 0.00 174.94 173.37 1neu s HIS 86 N 1.72 3.47 -1.14 3.97 3.76 -0.07 -1.59 115.29 125.40 1neu s HIS 86 Ca 0.07 0.09 -0.25 0.00 -0.15 0.00 0.00 55.06 54.82 1neu s HIS 86 Cb -0.16 -1.66 0.01 0.00 1.11 0.00 0.00 32.58 31.89 1neu s HIS 86 CO 0.09 0.44 0.75 -1.71 -0.85 0.00 0.00 174.74 173.46 1neu n ASN 87 N -1.07 -4.99 -4.61 1.40 4.05 -0.92 -4.86 115.26 104.27 1neu n ASN 87 Ca -0.08 -1.09 -0.41 0.00 0.45 0.00 0.00 54.58 53.46 1neu n ASN 87 Cb 0.56 -2.78 0.02 0.00 1.23 0.00 0.00 39.78 38.80 1neu n ASN 87 CO 0.00 0.00 0.00 0.18 -3.05 0.00 0.00 177.26 174.39 1neu n LEU 88 N -4.37 2.74 -4.15 1.20 4.32 0.31 -4.63 117.00 112.43 1neu n LEU 88 Ca -0.10 0.98 -0.16 0.00 -0.02 0.00 0.00 56.01 56.71 1neu n LEU 88 Cb 0.58 -1.36 -0.12 0.00 -1.62 0.00 0.00 43.42 40.91 1neu n LEU 88 CO 0.69 -1.60 -0.43 -0.62 -1.22 0.00 0.00 177.39 174.21 1neu s ASP 89 N -0.84 1.43 0.32 -1.43 2.15 -1.26 -0.08 116.67 116.96 1neu s ASP 89 Ca 0.65 -0.65 0.07 0.00 0.43 0.00 0.00 52.55 53.06 1neu s ASP 89 Cb -0.53 -0.02 0.78 0.00 -0.30 0.00 0.00 42.92 42.86 1neu s ASP 89 CO 0.55 -0.15 1.80 1.88 -0.17 0.00 0.00 175.17 179.08 1neu h TYR 90 N 4.15 0.99 0.00 -5.34 0.05 -1.93 -1.03 116.97 113.86 1neu h TYR 90 Ca -0.39 0.03 0.00 0.00 0.05 0.00 0.00 58.73 58.42 1neu h TYR 90 Cb 1.19 -0.30 0.00 0.00 1.01 0.00 0.00 36.73 38.63 1neu h TYR 90 CO 0.64 0.25 0.00 -1.13 -1.05 0.00 0.00 178.16 176.87 1neu n SER 91 N -4.70 0.00 0.18 3.88 3.41 -1.26 -3.62 113.62 111.51 1neu n SER 91 Ca 0.22 -0.29 0.14 0.00 -0.26 0.00 0.00 58.87 58.68 1neu n SER 91 Cb 0.57 -0.18 0.56 0.00 -0.26 0.00 0.00 64.21 64.90 1neu n SER 91 CO 0.00 0.00 0.00 0.44 -0.16 0.00 0.00 175.04 175.32 1neu h ASP 92 N 0.00 0.00 -1.27 4.04 3.32 -1.59 -3.47 116.42 117.44 1neu h ASP 92 Ca 0.00 0.00 -0.68 0.00 0.02 0.00 0.00 57.03 56.37 1neu h ASP 92 Cb 0.13 0.00 0.10 0.00 0.22 0.00 0.00 39.33 39.78 1neu h ASP 92 CO 0.00 0.00 -0.29 0.59 -1.72 0.00 0.00 179.24 177.82 1neu n ASN 93 N -2.53 -0.51 0.00 6.45 5.03 -1.24 -4.88 115.26 117.58 1neu n ASN 93 Ca 0.02 1.14 0.00 0.00 0.87 0.00 0.00 54.58 56.61 1neu n ASN 93 Cb 0.26 -1.01 0.00 0.00 -1.02 0.00 0.00 39.78 38.00 1neu n ASN 93 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1neu n GLY 94 N 1.82 -2.23 3.41 7.41 0.00 -1.05 -2.17 105.19 112.38 1neu n GLY 94 Ca 0.17 -1.25 -0.33 0.00 0.00 0.00 0.00 46.02 44.61 1neu n GLY 94 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1neu s THR 95 N -2.38 3.23 -0.11 2.61 2.01 -0.17 -0.44 115.64 120.40 1neu s THR 95 Ca 0.00 -0.60 -0.02 0.00 0.31 0.00 0.00 61.69 61.38 1neu s THR 95 Cb 0.00 -2.36 -0.03 0.00 0.01 0.00 0.00 72.50 70.12 1neu s THR 95 CO 0.00 0.53 -0.03 -0.36 -0.69 0.00 0.00 174.62 174.06 1neu s PHE 96 N 0.23 3.04 -0.09 4.92 0.40 -0.01 -1.23 117.98 125.24 1neu s PHE 96 Ca -0.07 -0.05 0.04 0.00 -0.60 0.00 0.00 56.93 56.25 1neu s PHE 96 Cb -0.15 -1.84 0.00 0.00 0.51 0.00 0.00 43.02 41.54 1neu s PHE 96 CO 0.05 0.23 -0.22 0.99 0.70 0.00 0.00 175.22 176.97 1neu s THR 97 N -0.36 1.88 -0.22 0.64 2.01 -0.17 -1.14 115.64 118.28 1neu s THR 97 Ca 0.06 -0.92 -0.10 0.00 0.31 0.00 0.00 61.69 61.04 1neu s THR 97 Cb -0.12 -1.63 -0.05 0.00 0.01 0.00 0.00 72.50 70.71 1neu s THR 97 CO 0.02 0.52 0.13 0.00 -0.69 0.00 0.00 174.62 174.60 1neu s ASP 99 N 0.82 4.12 -0.19 0.00 -1.08 -0.53 -1.56 116.67 118.26 1neu s ASP 99 Ca 0.07 -0.88 -0.06 0.00 -0.52 0.00 0.00 52.55 51.16 1neu s ASP 99 Cb -0.13 -1.62 -0.03 0.00 -1.46 0.00 0.00 42.92 39.68 1neu s ASP 99 CO 0.02 -0.11 0.02 -0.69 0.52 0.00 0.00 175.17 174.93 1neu s VAL 100 N 1.30 4.28 0.15 1.11 1.01 -0.23 -1.67 120.40 126.34 1neu s VAL 100 Ca 0.00 -0.21 0.07 0.00 0.00 0.00 0.00 61.98 61.84 1neu s VAL 100 Cb -0.16 -2.92 -0.04 0.00 0.00 0.00 0.00 36.38 33.26 1neu s VAL 100 CO -0.06 0.45 -0.15 -0.54 0.00 0.00 0.00 175.10 174.80 1neu s LYS 101 N 0.64 1.13 -0.03 2.72 1.02 -0.82 -1.83 119.74 122.58 1neu s LYS 101 Ca 0.01 -1.35 0.06 0.00 0.02 0.00 0.00 55.97 54.70 1neu s LYS 101 Cb -0.14 -1.00 -0.08 0.00 -0.52 0.00 0.00 37.83 36.09 1neu s LYS 101 CO 0.02 0.19 0.08 0.09 -0.92 0.00 0.00 175.35 174.80 1neu n ASN 102 N 0.26 3.61 0.00 2.83 3.02 -1.26 -1.37 115.26 122.36 1neu n ASN 102 Ca -0.13 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.42 1neu n ASN 102 Cb 0.58 0.97 0.00 0.00 -0.61 0.00 0.00 39.78 40.72 1neu n ASN 102 CO 0.00 0.00 0.00 0.55 -2.62 0.00 0.00 177.26 175.19 1neu n VAL 107 N -1.95 0.00 -3.10 2.41 3.14 -1.26 -4.76 118.33 112.81 1neu n VAL 107 Ca -0.05 0.00 -0.00 0.00 -2.96 0.00 0.00 64.34 61.33 1neu n VAL 107 Cb 0.41 0.00 0.00 0.00 -1.06 0.00 0.00 33.84 33.19 1neu n VAL 107 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 1neu n GLY 108 N 0.00 2.15 3.23 7.55 0.00 -1.26 -5.08 105.19 111.78 1neu n GLY 108 Ca 0.00 -2.14 -0.30 0.00 0.00 0.00 0.00 46.02 43.58 1neu n GLY 108 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1neu s LYS 109 N -2.05 2.46 0.28 1.61 1.02 -0.76 -4.93 119.74 117.36 1neu s LYS 109 Ca 0.01 -0.83 0.10 0.00 0.02 0.00 0.00 55.97 55.26 1neu s LYS 109 Cb -0.00 -2.05 -0.05 0.00 -0.52 0.00 0.00 37.83 35.21 1neu s LYS 109 CO 0.01 0.32 -0.14 0.95 -0.92 0.00 0.00 175.35 175.56 1neu s THR 110 N -0.03 2.11 -0.13 2.17 -4.23 -1.26 -1.07 115.64 113.21 1neu s THR 110 Ca -0.06 -2.27 -0.20 0.00 -1.18 0.00 0.00 61.69 57.98 1neu s THR 110 Cb -0.14 -2.36 0.05 0.00 1.34 0.00 0.00 72.50 71.39 1neu s THR 110 CO 0.04 -0.37 0.50 -0.55 -0.54 0.00 0.00 174.62 173.70 1neu s SER 111 N -3.48 -0.49 0.27 3.99 0.15 -0.60 -4.87 113.70 108.67 1neu s SER 111 Ca 0.29 0.79 0.10 0.00 0.70 0.00 0.00 55.95 57.83 1neu s SER 111 Cb -0.01 0.81 -0.05 0.00 -1.71 0.00 0.00 66.02 65.06 1neu s SER 111 CO 0.13 -0.31 -0.16 0.00 1.20 0.00 0.00 173.24 174.10 1neu s GLN 112 N -0.31 1.58 -0.03 5.44 -2.07 -1.26 -0.64 119.66 122.38 1neu s GLN 112 Ca -0.05 -1.74 -0.02 0.00 -1.82 0.00 0.00 55.36 51.73 1neu s GLN 112 Cb -0.03 -1.52 0.01 0.00 -1.09 0.00 0.00 33.01 30.38 1neu s GLN 112 CO 0.03 0.24 0.07 0.54 -1.32 0.00 0.00 175.29 174.85 1neu s VAL 113 N -2.70 -0.01 -0.14 3.63 0.11 -0.29 -4.66 120.40 116.34 1neu s VAL 113 Ca 0.28 0.05 -0.06 0.00 -2.93 0.00 0.00 61.98 59.32 1neu s VAL 113 Cb -0.02 -0.11 -0.04 0.00 -1.53 0.00 0.00 36.38 34.68 1neu s VAL 113 CO 0.13 0.02 0.06 -0.89 -3.33 0.00 0.00 175.10 171.09 1neu s THR 114 N 0.30 4.82 -0.13 5.04 2.01 -0.58 -0.83 115.64 126.27 1neu s THR 114 Ca -0.02 -0.04 -0.05 0.00 0.31 0.00 0.00 61.69 61.89 1neu s THR 114 Cb -0.03 -3.12 -0.04 0.00 0.01 0.00 0.00 72.50 69.32 1neu s THR 114 CO -0.01 0.54 0.04 -0.22 -0.69 0.00 0.00 174.62 174.27 1neu s LEU 115 N -0.28 3.74 -0.08 4.42 2.96 0.41 -0.62 118.68 129.24 1neu s LEU 115 Ca 0.08 0.14 0.01 0.00 -0.22 0.00 0.00 54.13 54.14 1neu s LEU 115 Cb -0.12 -1.90 0.02 0.00 0.50 0.00 0.00 46.19 44.69 1neu s LEU 115 CO 0.02 0.29 -0.09 -0.31 -1.32 0.00 0.00 176.35 174.94 1neu s TYR 116 N -0.32 1.30 -0.10 5.38 2.02 -0.71 -2.54 117.35 122.38 1neu s TYR 116 Ca 0.08 -0.52 0.00 0.00 -0.37 0.00 0.00 57.07 56.26 1neu s TYR 116 Cb -0.12 -1.03 -0.02 0.00 -0.40 0.00 0.00 41.96 40.38 1neu s TYR 116 CO 0.02 -0.34 -0.10 0.14 -1.57 0.00 0.00 175.55 173.70 1neu s VAL 117 N 1.11 3.39 0.00 0.71 -7.23 -1.26 -1.14 120.40 115.99 1neu s VAL 117 Ca -0.07 -0.57 0.00 0.00 -1.81 0.00 0.00 61.98 59.53 1neu s VAL 117 Cb -0.14 -2.40 0.00 0.00 0.56 0.00 0.00 36.38 34.39 1neu s VAL 117 CO -0.01 0.56 0.00 0.49 -0.31 0.00 0.00 175.10 175.82 1neu n PHE 118 N 2.86 0.00 -0.20 2.82 3.01 -0.29 -4.91 117.46 120.75 1neu n PHE 118 Ca -0.18 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.28 1neu n PHE 118 Cb 0.53 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 40.00 1neu n PHE 118 CO 0.00 0.00 0.00 0.39 1.01 0.00 0.00 176.76 178.16