#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1s3t s TYR 6 N 0.00 2.93 -0.33 -2.53 6.14 -1.26 -4.97 117.35 117.33 1s3t s TYR 6 Ca 0.00 0.50 -0.15 0.00 0.64 0.00 0.00 57.07 58.06 1s3t s TYR 6 Cb 0.00 -4.07 -0.02 0.00 0.42 0.00 0.00 41.96 38.30 1s3t s TYR 6 CO 0.00 -3.94 0.35 0.42 0.64 0.00 0.00 175.55 173.02 1s3t s ILE 7 N 0.96 5.18 -0.37 3.14 1.01 -1.26 -5.04 121.20 124.82 1s3t s ILE 7 Ca 0.71 0.10 -0.16 0.00 0.00 0.00 0.00 60.65 61.30 1s3t s ILE 7 Cb -0.48 -3.80 0.00 0.00 0.01 0.00 0.00 42.46 38.20 1s3t s ILE 7 CO 0.34 -0.05 0.39 -0.69 0.00 0.00 0.00 174.94 174.93 1s3t s VAL 8 N 2.01 5.14 0.20 2.92 1.01 -1.26 -5.05 120.40 125.36 1s3t s VAL 8 Ca 0.12 -0.12 -0.33 0.00 0.00 0.00 0.00 61.98 61.65 1s3t s VAL 8 Cb -0.16 -3.91 -0.13 0.00 0.00 0.00 0.00 36.38 32.18 1s3t s VAL 8 CO 0.11 -0.22 1.56 -2.65 0.00 0.00 0.00 175.10 173.90 1s3t n PRO 9 N 5.45 2.25 -0.99 2.72 -0.02 -1.26 -2.42 135.00 140.74 1s3t n PRO 9 Ca -0.08 0.81 0.00 0.00 -2.02 0.00 0.00 63.50 62.20 1s3t n PRO 9 Cb 0.49 -2.56 0.00 0.00 -0.02 0.00 0.00 33.50 31.40 1s3t n PRO 9 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1s3t n GLY 10 N 3.11 0.36 3.75 -1.23 0.00 -1.26 -4.99 105.19 104.93 1s3t n GLY 10 Ca 0.15 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.81 1s3t n GLY 10 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1s3t s GLU 11 N -0.62 2.98 0.29 1.61 -1.05 -1.02 -5.03 118.70 115.85 1s3t s GLU 11 Ca 0.00 1.79 -0.19 0.00 -0.15 0.00 0.00 54.97 56.42 1s3t s GLU 11 Cb 0.00 -1.93 -0.09 0.00 -0.44 0.00 0.00 34.13 31.67 1s3t s GLU 11 CO 0.00 -1.19 0.78 0.71 0.95 0.00 0.00 175.26 176.51 1s3t s TYR 12 N -1.65 3.54 -0.50 4.83 2.02 -1.26 -5.05 117.35 119.28 1s3t s TYR 12 Ca 0.77 1.40 0.04 0.00 -0.37 0.00 0.00 57.07 58.91 1s3t s TYR 12 Cb -0.29 -2.65 0.13 0.00 -0.40 0.00 0.00 41.96 38.74 1s3t s TYR 12 CO 0.33 0.20 0.24 1.03 -1.57 0.00 0.00 175.55 175.78 1s3t s ARG 13 N -2.41 1.92 0.44 -0.62 3.00 -1.26 -5.12 118.95 114.90 1s3t s ARG 13 Ca 0.49 -2.54 -0.23 0.00 0.00 0.00 0.00 55.73 53.45 1s3t s ARG 13 Cb -0.14 -3.29 -0.08 0.00 0.00 0.00 0.00 34.95 31.43 1s3t s ARG 13 CO 0.19 -1.09 1.10 0.14 0.00 0.00 0.00 175.30 175.64 1s3t s VAL 14 N -0.17 3.47 1.14 3.52 -7.23 -1.26 -5.03 120.40 114.84 1s3t s VAL 14 Ca 0.16 1.09 -0.16 0.00 -1.81 0.00 0.00 61.98 61.26 1s3t s VAL 14 Cb -0.25 -3.54 0.26 0.00 0.56 0.00 0.00 36.38 33.40 1s3t s VAL 14 CO -0.01 -0.03 1.07 0.00 -0.31 0.00 0.00 175.10 175.82 1s3t s ALA 15 N -1.66 0.43 0.48 1.32 0.00 -1.26 -5.03 121.76 116.05 1s3t s ALA 15 Ca 0.62 -0.59 -0.09 0.00 0.00 0.00 0.00 51.96 51.89 1s3t s ALA 15 Cb -0.24 -3.03 -0.05 0.00 0.00 0.00 0.00 23.12 19.80 1s3t s ALA 15 CO 0.29 -3.44 0.84 -1.21 0.00 0.00 0.00 175.76 172.25 1s3t s GLU 16 N -5.06 3.68 0.00 0.00 2.02 -1.26 -4.98 118.70 113.10 1s3t s GLU 16 Ca 0.68 0.47 0.00 0.00 0.02 0.00 0.00 54.97 56.14 1s3t s GLU 16 Cb -0.16 -2.30 0.00 0.00 0.10 0.00 0.00 34.13 31.77 1s3t s GLU 16 CO 0.58 -0.22 0.00 0.41 0.02 0.00 0.00 175.26 176.05 1s3t n GLY 17 N -1.93 -0.08 3.20 -1.39 0.00 -1.26 -5.08 105.19 98.66 1s3t n GLY 17 Ca 0.03 -2.27 -0.12 0.00 0.00 0.00 0.00 46.02 43.65 1s3t n GLY 17 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1s3t s GLU 18 N -0.12 0.93 -0.30 1.61 2.02 -1.26 -5.13 118.70 116.44 1s3t s GLU 18 Ca 0.00 -1.37 -0.08 0.00 0.02 0.00 0.00 54.97 53.54 1s3t s GLU 18 Cb 0.00 -0.39 0.00 0.00 0.10 0.00 0.00 34.13 33.84 1s3t s GLU 18 CO 0.00 0.03 0.10 0.42 0.02 0.00 0.00 175.26 175.83 1s3t s ILE 19 N -3.44 4.15 -0.22 -1.63 -1.09 -1.26 -5.07 121.20 112.63 1s3t s ILE 19 Ca 0.13 -0.62 -0.29 0.00 -2.23 0.00 0.00 60.65 57.65 1s3t s ILE 19 Cb 0.04 -3.14 0.01 0.00 -1.58 0.00 0.00 42.46 37.79 1s3t s ILE 19 CO -0.02 0.07 1.01 -0.70 -1.23 0.00 0.00 174.94 174.07 1s3t s GLU 20 N 1.53 4.26 0.29 2.79 2.12 -1.26 -5.05 118.70 123.39 1s3t s GLU 20 Ca 0.03 1.31 -0.17 0.00 0.36 0.00 0.00 54.97 56.50 1s3t s GLU 20 Cb -0.17 -3.64 -0.09 0.00 0.26 0.00 0.00 34.13 30.50 1s3t s GLU 20 CO 0.04 -0.60 0.75 0.96 -0.54 0.00 0.00 175.26 175.86 1s3t s ILE 21 N 3.09 4.61 -1.45 -3.70 -4.36 -1.26 -4.31 121.20 113.83 1s3t s ILE 21 Ca 0.43 1.12 -0.10 0.00 -0.26 0.00 0.00 60.65 61.84 1s3t s ILE 21 Cb -0.15 -3.71 0.05 0.00 1.25 0.00 0.00 42.46 39.90 1s3t s ILE 21 CO 0.07 -0.04 1.00 0.59 0.24 0.00 0.00 174.94 176.80 1s3t n ASN 22 N 0.05 -4.57 -4.77 4.36 5.03 -1.26 -4.88 115.26 109.22 1s3t n ASN 22 Ca 0.01 -0.72 -0.41 0.00 0.87 0.00 0.00 54.58 54.34 1s3t n ASN 22 Cb 0.52 -4.24 -0.02 0.00 -1.02 0.00 0.00 39.78 35.03 1s3t n ASN 22 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 1s3t s ALA 23 N -3.36 3.50 0.00 5.41 0.00 -1.26 -2.83 121.76 123.22 1s3t s ALA 23 Ca 0.53 1.27 0.00 0.00 0.00 0.00 0.00 51.96 53.75 1s3t s ALA 23 Cb -0.26 -3.48 0.00 0.00 0.00 0.00 0.00 23.12 19.38 1s3t s ALA 23 CO 0.80 -0.65 0.00 0.41 0.00 0.00 0.00 175.76 176.32 1s3t n GLY 24 N 0.85 0.74 3.88 0.00 0.00 -1.26 -5.03 105.19 104.37 1s3t n GLY 24 Ca 0.00 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.69 1s3t n GLY 24 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1s3t s ARG 25 N -0.11 3.36 0.27 1.61 0.52 -1.13 -5.07 118.95 118.42 1s3t s ARG 25 Ca 0.00 -0.34 -0.30 0.00 -0.52 0.00 0.00 55.73 54.57 1s3t s ARG 25 Cb 0.00 -3.06 -0.11 0.00 0.52 0.00 0.00 34.95 32.30 1s3t s ARG 25 CO 0.00 0.68 1.57 -2.00 0.02 0.00 0.00 175.30 175.56 1s3t s GLU 26 N -1.84 4.16 0.06 3.54 -6.30 -1.26 -4.84 118.70 112.22 1s3t s GLU 26 Ca 0.26 2.51 0.05 0.00 -2.50 0.00 0.00 54.97 55.29 1s3t s GLU 26 Cb -0.12 -3.05 -0.04 0.00 0.00 0.00 0.00 34.13 30.92 1s3t s GLU 26 CO 0.17 -0.59 -0.04 0.15 0.02 0.00 0.00 175.26 174.97 1s3t s LYS 27 N -0.33 2.48 -0.05 4.30 1.02 -1.26 -2.98 119.74 122.91 1s3t s LYS 27 Ca 0.63 -0.83 -0.02 0.00 0.02 0.00 0.00 55.97 55.77 1s3t s LYS 27 Cb -0.46 -2.49 0.04 0.00 -0.52 0.00 0.00 37.83 34.39 1s3t s LYS 27 CO 0.46 0.56 0.10 0.99 -0.92 0.00 0.00 175.35 176.53 1s3t s THR 28 N -1.20 -0.06 -0.21 2.17 2.01 -0.58 -4.97 115.64 112.81 1s3t s THR 28 Ca 0.22 0.20 -0.09 0.00 0.31 0.00 0.00 61.69 62.34 1s3t s THR 28 Cb -0.11 -0.17 -0.04 0.00 0.01 0.00 0.00 72.50 72.18 1s3t s THR 28 CO 0.14 0.08 0.11 -0.89 -0.69 0.00 0.00 174.62 173.37 1s3t s THR 29 N 1.17 5.04 0.08 -0.82 2.01 -1.26 0.24 115.64 122.10 1s3t s THR 29 Ca -0.09 0.06 0.01 0.00 0.31 0.00 0.00 61.69 61.99 1s3t s THR 29 Cb -0.12 -3.31 -0.04 0.00 0.01 0.00 0.00 72.50 69.03 1s3t s THR 29 CO -0.05 0.41 -0.06 0.27 -0.69 0.00 0.00 174.62 174.50 1s3t s ILE 30 N 0.72 0.53 -0.07 1.82 -4.36 -0.76 -5.00 121.20 114.09 1s3t s ILE 30 Ca 0.06 -1.82 -0.12 0.00 -0.26 0.00 0.00 60.65 58.51 1s3t s ILE 30 Cb -0.13 -1.53 -0.05 0.00 1.25 0.00 0.00 42.46 42.00 1s3t s ILE 30 CO 0.02 -0.87 0.29 0.00 0.24 0.00 0.00 174.94 174.62 1s3t s ARG 31 N -3.66 3.81 -0.02 0.37 1.04 -1.26 -1.12 118.95 118.11 1s3t s ARG 31 Ca 0.08 0.15 0.00 0.00 -1.04 0.00 0.00 55.73 54.93 1s3t s ARG 31 Cb 0.05 -3.25 0.02 0.00 -2.04 0.00 0.00 34.95 29.73 1s3t s ARG 31 CO -0.06 0.63 0.00 0.08 -0.04 0.00 0.00 175.30 175.92 1s3t s VAL 32 N -0.76 0.12 -0.02 4.99 1.01 -0.27 -4.53 120.40 120.93 1s3t s VAL 32 Ca 0.19 0.09 0.05 0.00 0.00 0.00 0.00 61.98 62.31 1s3t s VAL 32 Cb -0.14 -0.21 -0.01 0.00 0.00 0.00 0.00 36.38 36.02 1s3t s VAL 32 CO 0.08 0.12 -0.16 -0.94 0.00 0.00 0.00 175.10 174.20 1s3t s SER 33 N 0.87 1.93 -0.64 3.32 1.04 -0.48 -1.55 113.70 118.19 1s3t s SER 33 Ca -0.08 -0.30 -0.24 0.00 0.48 0.00 0.00 55.95 55.80 1s3t s SER 33 Cb -0.12 -0.35 0.05 0.00 0.10 0.00 0.00 66.02 65.70 1s3t s SER 33 CO -0.02 0.17 1.02 0.21 0.98 0.00 0.00 173.24 175.61 1s3t s ASN 34 N -0.18 6.22 0.00 7.02 2.47 -0.07 -0.44 114.94 129.95 1s3t s ASN 34 Ca 0.02 -0.69 0.30 0.00 0.42 0.00 0.00 52.86 52.91 1s3t s ASN 34 Cb -0.08 -2.45 1.43 0.00 -1.45 0.00 0.00 41.25 38.70 1s3t s ASN 34 CO 0.00 -1.46 1.99 0.35 -3.72 0.00 0.00 177.10 174.26 1s3t n THR 35 N 6.10 0.00 -2.27 -5.21 -2.24 -0.66 -1.45 114.28 108.55 1s3t n THR 35 Ca -0.01 -0.02 -0.26 0.00 -2.27 0.00 0.00 64.05 61.50 1s3t n THR 35 Cb 0.47 -0.35 0.09 0.00 -2.10 0.00 0.00 70.33 68.44 1s3t n THR 35 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 1s3t s GLY 36 N -2.50 1.73 0.00 3.38 0.00 -1.26 -4.85 107.32 103.82 1s3t s GLY 36 Ca 0.30 -1.16 0.22 0.00 0.00 0.00 0.00 44.72 44.07 1s3t s GLY 36 CO 0.46 -0.68 1.51 2.09 0.00 0.00 0.00 173.10 176.49 1s3t n ASP 37 N -2.98 3.87 -4.22 1.64 5.68 -1.26 -3.25 116.55 116.03 1s3t n ASP 37 Ca 0.10 -2.00 -0.19 0.00 -0.50 0.00 0.00 54.79 52.21 1s3t n ASP 37 Cb 0.60 -0.46 -0.12 0.00 -1.14 0.00 0.00 41.12 40.01 1s3t n ASP 37 CO 0.00 0.00 0.00 -0.13 -1.33 0.00 0.00 177.20 175.74 1s3t s ARG 38 N -1.03 0.95 0.30 0.11 0.52 -1.26 -4.79 118.95 113.75 1s3t s ARG 38 Ca 0.47 -1.11 -0.29 0.00 -0.52 0.00 0.00 55.73 54.27 1s3t s ARG 38 Cb 0.25 -0.94 -0.10 0.00 0.52 0.00 0.00 34.95 34.68 1s3t s ARG 38 CO 0.32 0.20 1.32 -1.25 0.02 0.00 0.00 175.30 175.91 1s3t s PRO 39 N -2.19 4.36 -0.14 3.54 0.04 -1.26 -4.35 135.00 135.00 1s3t s PRO 39 Ca 0.04 2.19 0.02 0.00 0.04 0.00 0.00 61.00 63.30 1s3t s PRO 39 Cb -0.08 -3.10 0.01 0.00 0.04 0.00 0.00 34.50 31.37 1s3t s PRO 39 CO 0.03 -0.21 -0.22 0.42 0.04 0.00 0.00 177.00 177.06 1s3t s ILE 40 N -0.81 2.12 -0.08 0.56 1.01 -0.58 -5.01 121.20 118.41 1s3t s ILE 40 Ca 0.51 -0.96 0.05 0.00 0.00 0.00 0.00 60.65 60.25 1s3t s ILE 40 Cb -0.39 -1.85 -0.00 0.00 0.01 0.00 0.00 42.46 40.23 1s3t s ILE 40 CO 0.49 0.55 -0.24 -1.58 0.00 0.00 0.00 174.94 174.16 1s3t s GLN 41 N 0.75 2.87 -0.15 2.79 0.74 -1.26 -0.40 119.66 125.00 1s3t s GLN 41 Ca -0.08 -0.89 0.02 0.00 0.05 0.00 0.00 55.36 54.45 1s3t s GLN 41 Cb -0.16 -2.25 0.01 0.00 1.10 0.00 0.00 33.01 31.72 1s3t s GLN 41 CO -0.00 0.25 -0.20 0.08 -0.55 0.00 0.00 175.29 174.87 1s3t s VAL 42 N 0.16 1.99 0.83 1.34 1.01 0.35 -4.94 120.40 121.14 1s3t s VAL 42 Ca -0.13 -0.92 -0.12 0.00 0.00 0.00 0.00 61.98 60.81 1s3t s VAL 42 Cb -0.16 -1.78 0.09 0.00 0.00 0.00 0.00 36.38 34.53 1s3t s VAL 42 CO 0.07 0.53 1.10 -0.83 0.00 0.00 0.00 175.10 175.97 1s3t s GLY 43 N 1.05 1.62 0.54 4.51 0.00 -1.26 -0.92 107.32 112.85 1s3t s GLY 43 Ca -0.02 -0.17 0.27 0.00 0.00 0.00 0.00 44.72 44.80 1s3t s GLY 43 CO -0.07 0.28 2.12 1.48 0.00 0.00 0.00 173.10 176.92 1s3t h SER 44 N -1.26 0.00 0.00 1.64 4.64 -1.59 -3.27 113.55 113.71 1s3t h SER 44 Ca -0.48 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.84 1s3t h SER 44 Cb 1.28 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.37 1s3t h SER 44 CO 0.58 0.09 -0.00 1.41 -0.87 0.00 0.00 176.83 178.04 1s3t n HIS 45 N -3.76 0.00 -2.54 4.77 8.25 -1.26 -3.51 115.22 117.17 1s3t n HIS 45 Ca -0.02 -0.45 -0.42 0.00 -0.26 0.00 0.00 57.72 56.57 1s3t n HIS 45 Cb 0.19 -0.05 -0.03 0.00 1.12 0.00 0.00 29.99 31.23 1s3t n HIS 45 CO 0.00 0.00 0.00 -1.50 0.64 0.00 0.00 176.34 175.48 1s3t s ILE 46 N -0.90 4.33 -0.26 1.59 2.07 -1.23 -4.97 121.20 121.83 1s3t s ILE 46 Ca 0.00 1.70 -0.37 0.00 -1.41 0.00 0.00 60.65 60.57 1s3t s ILE 46 Cb 0.00 -4.09 -0.13 0.00 0.13 0.00 0.00 42.46 38.38 1s3t s ILE 46 CO 0.00 0.14 1.94 1.57 -1.91 0.00 0.00 174.94 176.68 1s3t n HIS 47 N 3.81 1.97 0.17 3.50 -0.00 -1.26 -4.54 115.22 118.87 1s3t n HIS 47 Ca 0.07 0.30 0.03 0.00 -0.00 0.00 0.00 57.72 58.12 1s3t n HIS 47 Cb 0.48 -2.54 0.38 0.00 -0.00 0.00 0.00 29.99 28.31 1s3t n HIS 47 CO 0.00 0.00 0.00 0.35 -0.00 0.00 0.00 176.34 176.69 1s3t h PHE 48 N 9.53 0.06 0.00 1.57 3.57 -0.91 -1.45 116.94 129.32 1s3t h PHE 48 Ca -0.40 -0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.09 1s3t h PHE 48 Cb 1.31 -0.02 0.00 0.00 2.79 0.00 0.00 35.95 40.03 1s3t h PHE 48 CO 0.87 0.36 0.00 -0.24 -2.23 0.00 0.00 178.31 177.06 1s3t h VAL 49 N 0.05 0.00 -0.62 1.41 3.04 -1.75 -2.95 116.25 115.43 1s3t h VAL 49 Ca 0.01 -0.18 0.00 0.00 -1.01 0.00 0.00 66.70 65.51 1s3t h VAL 49 Cb 0.56 0.97 0.00 0.00 -2.01 0.00 0.00 31.29 30.81 1s3t h VAL 49 CO 0.04 0.00 0.00 -0.62 -1.01 0.00 0.00 177.57 175.98 1s3t n GLU 50 N -2.62 2.54 -1.24 4.17 1.02 -0.54 -4.97 120.64 119.00 1s3t n GLU 50 Ca -0.00 -2.39 -0.30 0.00 -0.02 0.00 0.00 57.16 54.45 1s3t n GLU 50 Cb 0.16 -1.52 0.13 0.00 -0.02 0.00 0.00 31.44 30.19 1s3t n GLU 50 CO 0.00 0.00 0.00 0.14 1.18 0.00 0.00 177.13 178.45 1s3t s VAL 51 N -1.17 2.69 -0.12 2.62 -7.23 -1.12 -4.62 120.40 111.46 1s3t s VAL 51 Ca 0.44 0.22 -0.25 0.00 -1.81 0.00 0.00 61.98 60.58 1s3t s VAL 51 Cb 0.23 -2.74 -0.12 0.00 0.56 0.00 0.00 36.38 34.32 1s3t s VAL 51 CO 0.31 -0.29 0.75 -3.20 -0.31 0.00 0.00 175.10 172.36 1s3t n ASN 52 N -3.84 0.28 -0.33 4.85 2.85 -1.26 -4.82 115.26 112.99 1s3t n ASN 52 Ca 0.07 0.69 0.26 0.00 -0.11 0.00 0.00 54.58 55.49 1s3t n ASN 52 Cb 0.55 -0.53 0.50 0.00 1.24 0.00 0.00 39.78 41.54 1s3t n ASN 52 CO 0.00 0.00 0.00 0.11 -2.11 0.00 0.00 177.26 175.26 1s3t h LYS 53 N 2.23 0.24 -0.00 1.20 1.57 -1.90 -1.61 116.57 118.31 1s3t h LYS 53 Ca -0.28 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.48 1s3t h LYS 53 Cb 0.83 -0.05 0.00 0.00 0.08 0.00 0.00 32.23 33.09 1s3t h LYS 53 CO 0.46 0.16 -0.01 0.39 -0.57 0.00 0.00 179.45 179.88 1s3t n GLU 54 N -5.11 0.55 -2.54 3.15 1.02 -1.26 -1.81 120.64 114.63 1s3t n GLU 54 Ca 0.33 -0.01 -0.43 0.00 -0.02 0.00 0.00 57.16 57.03 1s3t n GLU 54 Cb 1.05 -1.50 -0.02 0.00 -0.02 0.00 0.00 31.44 30.95 1s3t n GLU 54 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 1s3t s LEU 55 N -2.46 4.15 -0.27 -4.62 1.43 -0.61 -1.65 118.68 114.65 1s3t s LEU 55 Ca 0.32 1.54 -0.12 0.00 -1.03 0.00 0.00 54.13 54.84 1s3t s LEU 55 Cb 0.21 -3.54 -0.05 0.00 0.03 0.00 0.00 46.19 42.84 1s3t s LEU 55 CO 0.45 -0.71 0.25 -0.22 0.23 0.00 0.00 176.35 176.34 1s3t s LEU 56 N 3.30 4.04 0.31 1.79 2.96 0.41 -4.34 118.68 127.16 1s3t s LEU 56 Ca 0.49 0.10 -0.18 0.00 -0.22 0.00 0.00 54.13 54.32 1s3t s LEU 56 Cb -0.18 -2.22 0.03 0.00 0.50 0.00 0.00 46.19 44.32 1s3t s LEU 56 CO 0.11 -0.08 0.72 0.72 -1.32 0.00 0.00 176.35 176.50 1s3t s PHE 57 N 1.78 -0.01 -0.76 5.38 -0.71 -1.25 -1.38 117.98 121.04 1s3t s PHE 57 Ca 0.10 -0.51 -0.25 0.00 -1.04 0.00 0.00 56.93 55.22 1s3t s PHE 57 Cb -0.16 0.69 -0.05 0.00 -1.21 0.00 0.00 43.02 42.29 1s3t s PHE 57 CO 0.10 -1.33 2.02 0.34 -1.34 0.00 0.00 175.22 175.01 1s3t s ASP 58 N -2.99 4.95 0.41 1.98 -1.08 -1.26 -4.08 116.67 114.60 1s3t s ASP 58 Ca 0.14 -0.10 0.11 0.00 -0.52 0.00 0.00 52.55 52.18 1s3t s ASP 58 Cb -0.05 -2.54 0.93 0.00 -1.46 0.00 0.00 42.92 39.79 1s3t s ASP 58 CO 0.09 -2.80 1.97 0.03 0.52 0.00 0.00 175.17 174.98 1s3t h ARG 59 N 13.39 0.52 -0.11 4.34 2.47 -1.57 0.53 114.38 133.94 1s3t h ARG 59 Ca -0.06 -0.03 0.03 0.00 -1.26 0.00 0.00 59.98 58.66 1s3t h ARG 59 Cb 1.08 -0.12 -0.00 0.00 -1.65 0.00 0.00 29.97 29.28 1s3t h ARG 59 CO 1.18 0.34 0.08 0.00 0.56 0.00 0.00 179.97 182.13 1s3t h ALA 60 N 1.66 2.05 -0.00 0.04 0.00 -1.88 -0.54 119.26 120.60 1s3t h ALA 60 Ca 0.30 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.20 1s3t h ALA 60 Cb 0.47 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.26 1s3t h ALA 60 CO -0.09 -0.14 -0.05 0.39 0.00 0.00 0.00 179.25 179.36 1s3t n GLU 61 N -4.43 0.16 0.00 0.00 -0.58 0.18 -2.99 120.64 112.98 1s3t n GLU 61 Ca -0.00 -0.02 0.12 0.00 -0.42 0.00 0.00 57.16 56.84 1s3t n GLU 61 Cb 0.20 -1.50 0.30 0.00 -0.57 0.00 0.00 31.44 29.87 1s3t n GLU 61 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1s3t n GLY 62 N 1.43 -1.27 3.70 0.62 0.00 -0.21 -4.86 105.19 104.60 1s3t n GLY 62 Ca 0.09 -0.32 -0.42 0.00 0.00 0.00 0.00 46.02 45.37 1s3t n GLY 62 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1s3t s ILE 63 N -2.99 4.01 -0.34 -0.61 1.01 -1.16 -2.55 121.20 118.56 1s3t s ILE 63 Ca 0.12 1.41 0.00 0.00 0.00 0.00 0.00 60.65 62.18 1s3t s ILE 63 Cb 0.18 -3.91 0.00 0.00 0.01 0.00 0.00 42.46 38.74 1s3t s ILE 63 CO 0.67 0.07 0.00 0.61 0.00 0.00 0.00 174.94 176.29 1s3t n GLY 64 N 3.32 0.63 3.19 6.18 0.00 -1.26 -5.01 105.19 112.24 1s3t n GLY 64 Ca 0.10 -0.63 -0.11 0.00 0.00 0.00 0.00 46.02 45.38 1s3t n GLY 64 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1s3t s ARG 65 N -1.84 0.98 0.24 1.61 0.52 -1.12 -0.96 118.95 118.39 1s3t s ARG 65 Ca 0.00 -1.46 -0.08 0.00 -0.52 0.00 0.00 55.73 53.66 1s3t s ARG 65 Cb 0.00 0.01 -0.02 0.00 0.52 0.00 0.00 34.95 35.47 1s3t s ARG 65 CO 0.00 -0.19 0.37 -0.98 0.02 0.00 0.00 175.30 174.52 1s3t s ARG 66 N -3.98 1.46 0.33 3.54 1.70 -0.61 -0.63 118.95 120.77 1s3t s ARG 66 Ca 0.23 -1.41 -0.29 0.00 -0.47 0.00 0.00 55.73 53.79 1s3t s ARG 66 Cb 0.07 0.40 -0.11 0.00 -0.57 0.00 0.00 34.95 34.75 1s3t s ARG 66 CO 0.02 -0.57 1.46 -0.51 -1.08 0.00 0.00 175.30 174.62 1s3t s LEU 67 N -3.08 4.36 -1.30 -1.89 1.43 -1.23 0.08 118.68 117.05 1s3t s LEU 67 Ca 0.28 2.90 -0.09 0.00 -1.03 0.00 0.00 54.13 56.19 1s3t s LEU 67 Cb 0.02 -3.65 0.15 0.00 0.03 0.00 0.00 46.19 42.74 1s3t s LEU 67 CO 0.11 -0.78 1.98 -3.20 0.23 0.00 0.00 176.35 174.68 1s3t n ASN 68 N 1.12 5.46 -4.22 2.29 5.15 -0.07 -4.56 115.26 120.43 1s3t n ASN 68 Ca 0.03 -3.10 -0.13 0.00 -0.60 0.00 0.00 54.58 50.78 1s3t n ASN 68 Cb 0.40 -1.47 -0.10 0.00 -0.53 0.00 0.00 39.78 38.07 1s3t n ASN 68 CO 0.00 0.00 0.00 0.27 1.40 0.00 0.00 177.26 178.93 1s3t s ILE 69 N 0.33 1.01 0.28 -1.44 -4.36 -1.26 -4.92 121.20 110.84 1s3t s ILE 69 Ca 0.42 -1.97 -0.29 0.00 -0.26 0.00 0.00 60.65 58.55 1s3t s ILE 69 Cb 0.11 -1.74 -0.14 0.00 1.25 0.00 0.00 42.46 41.95 1s3t s ILE 69 CO -0.01 -0.76 1.14 -2.65 0.24 0.00 0.00 174.94 172.90 1s3t n PRO 70 N -0.05 1.61 -1.67 0.37 -0.02 -1.26 -4.80 135.00 129.18 1s3t n PRO 70 Ca -0.12 0.57 -0.61 0.00 -2.02 0.00 0.00 63.50 61.32 1s3t n PRO 70 Cb 0.60 -2.04 -0.08 0.00 -0.02 0.00 0.00 33.50 31.97 1s3t n PRO 70 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 1s3t n SER 71 N 1.30 1.39 0.00 2.55 2.88 -1.26 -2.05 113.62 118.44 1s3t n SER 71 Ca 0.09 1.14 0.00 0.00 -1.33 0.00 0.00 58.87 58.77 1s3t n SER 71 Cb 0.32 -1.01 0.00 0.00 -0.75 0.00 0.00 64.21 62.77 1s3t n SER 71 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1s3t n GLY 72 N 3.36 0.83 4.02 0.46 0.00 -1.26 -5.06 105.19 107.55 1s3t n GLY 72 Ca 0.26 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 46.08 1s3t n GLY 72 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1s3t s THR 73 N -2.67 2.29 0.02 2.61 -4.23 -0.87 -4.90 115.64 107.89 1s3t s THR 73 Ca 0.00 -0.92 -0.06 0.00 -1.18 0.00 0.00 61.69 59.53 1s3t s THR 73 Cb 0.00 -2.37 -0.00 0.00 1.34 0.00 0.00 72.50 71.46 1s3t s THR 73 CO 0.00 0.00 0.11 0.00 -0.54 0.00 0.00 174.62 174.19 1s3t s ALA 74 N -2.70 -0.20 -0.12 3.99 0.00 -1.26 -1.54 121.76 119.92 1s3t s ALA 74 Ca 0.61 -0.33 -0.10 0.00 0.00 0.00 0.00 51.96 52.14 1s3t s ALA 74 Cb -0.06 0.17 -0.05 0.00 0.00 0.00 0.00 23.12 23.18 1s3t s ALA 74 CO 0.39 -0.25 0.22 0.00 0.00 0.00 0.00 175.76 176.11 1s3t s ALA 75 N -1.89 3.75 -0.12 0.00 0.00 -0.10 -4.88 121.76 118.53 1s3t s ALA 75 Ca -0.11 -0.54 -0.02 0.00 0.00 0.00 0.00 51.96 51.29 1s3t s ALA 75 Cb -0.05 -2.17 -0.03 0.00 0.00 0.00 0.00 23.12 20.87 1s3t s ALA 75 CO -0.01 0.39 -0.04 0.50 0.00 0.00 0.00 175.76 176.60 1s3t s ARG 76 N -0.45 3.28 -0.29 0.00 3.52 -1.26 -0.50 118.95 123.24 1s3t s ARG 76 Ca 0.15 -0.51 0.03 0.00 -0.13 0.00 0.00 55.73 55.27 1s3t s ARG 76 Cb -0.13 -2.79 0.08 0.00 -1.56 0.00 0.00 34.95 30.55 1s3t s ARG 76 CO 0.04 0.44 -0.03 -0.06 -0.81 0.00 0.00 175.30 174.89 1s3t s PHE 77 N -0.20 3.32 0.82 5.12 0.40 0.47 -5.00 117.98 122.92 1s3t s PHE 77 Ca 0.03 -2.52 -0.11 0.00 -0.60 0.00 0.00 56.93 53.74 1s3t s PHE 77 Cb -0.13 -2.29 0.09 0.00 0.51 0.00 0.00 43.02 41.20 1s3t s PHE 77 CO 0.02 -0.90 1.10 -1.21 0.70 0.00 0.00 175.22 174.94 1s3t s GLU 78 N 1.07 1.81 0.05 0.44 0.41 -1.26 -1.52 118.70 119.69 1s3t s GLU 78 Ca 0.00 1.22 -0.35 0.00 -0.41 0.00 0.00 54.97 55.43 1s3t s GLU 78 Cb -0.19 -1.84 -0.14 0.00 -1.78 0.00 0.00 34.13 30.17 1s3t s GLU 78 CO -0.07 -1.97 1.60 -2.30 -0.49 0.00 0.00 175.26 172.02 1s3t n PRO 79 N -3.75 1.81 -0.65 0.39 -0.02 -1.26 -1.10 135.00 130.42 1s3t n PRO 79 Ca 0.09 0.65 0.00 0.00 -2.02 0.00 0.00 63.50 62.23 1s3t n PRO 79 Cb 0.53 -2.40 0.00 0.00 -0.02 0.00 0.00 33.50 31.61 1s3t n PRO 79 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1s3t n GLY 80 N 3.47 1.41 3.73 -1.23 0.00 -0.53 -5.01 105.19 107.03 1s3t n GLY 80 Ca 0.19 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.80 1s3t n GLY 80 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1s3t s GLU 81 N -0.11 4.70 -0.12 1.61 2.12 -0.26 -4.72 118.70 121.91 1s3t s GLU 81 Ca 0.00 1.45 0.03 0.00 0.36 0.00 0.00 54.97 56.81 1s3t s GLU 81 Cb 0.00 -3.38 0.01 0.00 0.26 0.00 0.00 34.13 31.02 1s3t s GLU 81 CO 0.00 0.21 -0.21 -2.00 -0.54 0.00 0.00 175.26 172.73 1s3t s GLU 82 N -0.01 2.83 0.17 4.30 2.12 -1.26 -0.89 118.70 125.97 1s3t s GLU 82 Ca 0.47 -0.79 -0.15 0.00 0.36 0.00 0.00 54.97 54.86 1s3t s GLU 82 Cb -0.23 -2.26 0.02 0.00 0.26 0.00 0.00 34.13 31.91 1s3t s GLU 82 CO 0.30 0.03 0.43 0.00 -0.54 0.00 0.00 175.26 175.47 1s3t s MET 83 N 0.72 1.26 0.17 4.30 0.23 -0.60 -4.98 119.30 120.41 1s3t s MET 83 Ca -0.10 -0.94 -0.20 0.00 -1.03 0.00 0.00 55.69 53.42 1s3t s MET 83 Cb -0.16 0.47 -0.08 0.00 -1.53 0.00 0.00 34.83 33.53 1s3t s MET 83 CO 0.01 -0.51 0.68 -1.21 -2.03 0.00 0.00 175.02 171.96 1s3t s GLU 84 N -3.89 4.26 0.13 3.16 2.02 -1.26 -1.11 118.70 122.01 1s3t s GLU 84 Ca 0.10 0.85 0.07 0.00 0.02 0.00 0.00 54.97 56.01 1s3t s GLU 84 Cb 0.01 -3.03 -0.04 0.00 0.10 0.00 0.00 34.13 31.17 1s3t s GLU 84 CO -0.03 0.49 -0.16 0.14 0.02 0.00 0.00 175.26 175.72 1s3t s VAL 85 N -1.36 1.50 -0.17 2.63 -7.23 -0.28 -4.97 120.40 110.52 1s3t s VAL 85 Ca 0.38 -1.77 -0.07 0.00 -1.81 0.00 0.00 61.98 58.71 1s3t s VAL 85 Cb -0.18 -1.63 -0.04 0.00 0.56 0.00 0.00 36.38 35.09 1s3t s VAL 85 CO 0.21 -0.36 0.08 -0.70 -0.31 0.00 0.00 175.10 174.02 1s3t s GLU 86 N -2.66 3.87 0.17 4.82 2.12 -1.26 -1.82 118.70 123.94 1s3t s GLU 86 Ca 0.11 -0.30 0.05 0.00 0.36 0.00 0.00 54.97 55.19 1s3t s GLU 86 Cb -0.05 -3.21 -0.04 0.00 0.26 0.00 0.00 34.13 31.09 1s3t s GLU 86 CO 0.04 0.38 0.15 -0.51 -0.54 0.00 0.00 175.26 174.78 1s3t s LEU 87 N 0.09 3.84 0.33 2.70 1.43 0.14 -0.90 118.68 126.31 1s3t s LEU 87 Ca 0.06 -0.12 0.05 0.00 -1.03 0.00 0.00 54.13 53.09 1s3t s LEU 87 Cb -0.12 -2.44 -0.07 0.00 0.03 0.00 0.00 46.19 43.59 1s3t s LEU 87 CO 0.00 0.06 0.02 0.28 0.23 0.00 0.00 176.35 176.95 1s3t s THR 88 N -1.78 1.45 0.23 5.49 -1.32 0.11 -1.52 115.64 118.31 1s3t s THR 88 Ca 0.31 -2.03 -0.30 0.00 -1.21 0.00 0.00 61.69 58.47 1s3t s THR 88 Cb -0.10 -2.76 -0.09 0.00 -1.51 0.00 0.00 72.50 68.05 1s3t s THR 88 CO 0.24 -0.07 1.00 -1.61 -2.21 0.00 0.00 174.62 171.97 1s3t s GLU 89 N -3.82 4.77 0.62 7.08 0.41 -1.16 -1.57 118.70 125.03 1s3t s GLU 89 Ca 0.35 1.59 -0.19 0.00 -0.41 0.00 0.00 54.97 56.30 1s3t s GLU 89 Cb 0.08 -3.27 -0.02 0.00 -1.78 0.00 0.00 34.13 29.14 1s3t s GLU 89 CO 0.15 0.38 1.31 1.28 -0.49 0.00 0.00 175.26 177.89 1s3t n LEU 90 N 1.61 5.91 0.00 1.80 4.77 -0.13 -4.81 117.00 126.15 1s3t n LEU 90 Ca -0.01 0.87 0.00 0.00 -0.03 0.00 0.00 56.01 56.84 1s3t n LEU 90 Cb 0.47 -1.56 0.00 0.00 -2.33 0.00 0.00 43.42 39.99 1s3t n LEU 90 CO 0.51 -0.87 0.00 0.61 -1.33 0.00 0.00 177.39 176.31 1s3t n GLY 91 N 0.88 4.86 7.00 -0.72 0.00 -1.26 -4.84 105.19 111.11 1s3t n GLY 91 Ca 0.14 -1.90 0.00 0.00 0.00 0.00 0.00 46.02 44.27 1s3t n GLY 91 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1s3t n GLY 92 N 5.00 3.21 0.00 -0.02 0.00 -1.26 -1.97 105.19 110.15 1s3t n GLY 92 Ca 0.00 -0.17 0.15 0.00 0.00 0.00 0.00 46.02 46.01 1s3t n GLY 92 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1s3t n ASN 93 N 3.11 0.01 -3.86 1.61 3.02 -1.26 -4.93 115.26 112.96 1s3t n ASN 93 Ca 0.00 -0.54 -0.29 0.00 -0.03 0.00 0.00 54.58 53.72 1s3t n ASN 93 Cb 0.00 -0.15 0.00 0.00 -0.61 0.00 0.00 39.78 39.02 1s3t n ASN 93 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 1s3t n ARG 94 N -1.15 -2.44 -4.41 3.52 1.74 -0.83 -4.91 116.66 108.18 1s3t n ARG 94 Ca 0.19 0.41 -0.22 0.00 -0.77 0.00 0.00 57.85 57.45 1s3t n ARG 94 Cb 0.18 -4.28 -0.13 0.00 -1.02 0.00 0.00 32.46 27.21 1s3t n ARG 94 CO 0.00 0.00 0.00 -1.21 -1.52 0.00 0.00 177.63 174.90 1s3t s GLU 95 N -6.40 1.08 -0.03 5.56 2.02 -1.26 -2.11 118.70 117.57 1s3t s GLU 95 Ca 0.19 -0.89 0.02 0.00 0.02 0.00 0.00 54.97 54.32 1s3t s GLU 95 Cb -0.07 -1.16 0.01 0.00 0.10 0.00 0.00 34.13 33.00 1s3t s GLU 95 CO 0.88 0.28 -0.08 0.08 0.02 0.00 0.00 175.26 176.44 1s3t s VAL 96 N -0.92 0.75 0.11 2.63 1.01 -0.47 -4.93 120.40 118.58 1s3t s VAL 96 Ca 0.04 -0.32 0.07 0.00 0.00 0.00 0.00 61.98 61.77 1s3t s VAL 96 Cb -0.09 -0.68 -0.04 0.00 0.00 0.00 0.00 36.38 35.57 1s3t s VAL 96 CO 0.02 0.24 -0.18 -0.36 0.00 0.00 0.00 175.10 174.82 1s3t s PHE 97 N 0.34 1.63 0.00 5.22 0.08 -1.26 -1.07 117.98 122.92 1s3t s PHE 97 Ca -0.05 -0.46 0.00 0.00 0.12 0.00 0.00 56.93 56.54 1s3t s PHE 97 Cb -0.10 -0.87 0.00 0.00 -0.57 0.00 0.00 43.02 41.48 1s3t s PHE 97 CO 0.01 0.19 0.00 0.41 -0.10 0.00 0.00 175.22 175.73 1s3t n GLY 98 N 0.89 2.63 7.00 4.36 0.00 -1.26 -4.91 105.19 113.91 1s3t n GLY 98 Ca -0.18 -0.40 0.00 0.00 0.00 0.00 0.00 46.02 45.44 1s3t n GLY 98 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1s3t n ILE 99 N 0.00 0.00 -0.01 -0.61 5.41 -1.26 -1.37 119.36 121.52 1s3t n ILE 99 Ca 0.00 0.00 0.10 0.00 1.00 0.00 0.00 62.75 63.85 1s3t n ILE 99 Cb 0.00 0.00 0.22 0.00 -0.71 0.00 0.00 39.64 39.15 1s3t n ILE 99 CO 0.00 0.00 0.00 -1.20 0.00 0.00 0.00 176.55 175.35 1s3t n SER 100 N 8.75 3.35 -2.78 4.38 7.64 -1.26 -4.97 113.62 128.73 1s3t n SER 100 Ca 0.00 -1.95 -0.22 0.00 1.01 0.00 0.00 58.87 57.72 1s3t n SER 100 Cb 0.00 -0.30 0.02 0.00 -1.01 0.00 0.00 64.21 62.93 1s3t n SER 100 CO 0.00 0.00 0.00 0.47 -3.01 0.00 0.00 175.04 172.50 1s3t n ASP 101 N 1.22 -6.01 0.07 6.43 8.00 -0.47 -4.91 116.55 120.89 1s3t n ASP 101 Ca 0.18 -0.21 0.11 0.00 0.71 0.00 0.00 54.79 55.58 1s3t n ASP 101 Cb 0.54 -4.88 -0.03 0.00 -0.02 0.00 0.00 41.12 36.73 1s3t n ASP 101 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 1s3t n LEU 102 N -3.67 0.64 0.02 0.64 4.77 -1.26 -4.74 117.00 113.39 1s3t n LEU 102 Ca -0.15 0.23 -0.01 0.00 -0.03 0.00 0.00 56.01 56.06 1s3t n LEU 102 Cb 0.64 -0.05 -0.00 0.00 -2.33 0.00 0.00 43.42 41.68 1s3t n LEU 102 CO 0.41 -0.13 -0.05 0.41 -1.33 0.00 0.00 177.39 176.70 1s3t n THR 103 N -2.53 0.75 -4.14 -5.08 -1.04 -1.26 -4.23 114.28 96.75 1s3t n THR 103 Ca -0.01 0.25 -0.30 0.00 -2.04 0.00 0.00 64.05 61.95 1s3t n THR 103 Cb 0.55 -1.43 -0.06 0.00 -1.82 0.00 0.00 70.33 67.57 1s3t n THR 103 CO 0.00 0.00 0.00 0.59 -0.64 0.00 0.00 175.07 175.02 1s3t n ASN 104 N -3.16 -0.09 0.00 8.00 3.02 -0.42 -4.72 115.26 117.88 1s3t n ASN 104 Ca -0.01 -1.17 0.00 0.00 -0.03 0.00 0.00 54.58 53.37 1s3t n ASN 104 Cb 0.04 -2.22 0.00 0.00 -0.61 0.00 0.00 39.78 36.98 1s3t n ASN 104 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1s3t n GLY 105 N -2.29 -0.40 3.77 7.41 0.00 -0.23 -4.96 105.19 108.49 1s3t n GLY 105 Ca -0.30 -0.72 -0.40 0.00 0.00 0.00 0.00 46.02 44.60 1s3t n GLY 105 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1s3t s SER 106 N -4.00 6.62 0.00 1.61 0.15 -1.26 -1.36 113.70 115.46 1s3t s SER 106 Ca 0.00 2.68 0.18 0.00 0.70 0.00 0.00 55.95 59.51 1s3t s SER 106 Cb 0.00 -2.65 0.87 0.00 -1.71 0.00 0.00 66.02 62.53 1s3t s SER 106 CO 0.00 -0.64 1.56 1.33 1.20 0.00 0.00 173.24 176.69 1s3t n VAL 107 N 0.57 0.55 0.32 4.45 0.24 -0.90 -3.20 118.33 120.37 1s3t n VAL 107 Ca 0.01 0.14 0.15 0.00 -2.04 0.00 0.00 64.34 62.60 1s3t n VAL 107 Cb 0.42 -0.84 0.53 0.00 -1.47 0.00 0.00 33.84 32.49 1s3t n VAL 107 CO 0.00 0.00 0.00 0.44 -2.14 0.00 0.00 176.83 175.13 1s3t h ASP 108 N 0.00 0.00 -0.22 -1.34 3.32 -1.90 -3.38 116.42 112.90 1s3t h ASP 108 Ca 0.00 0.00 -0.71 0.00 0.02 0.00 0.00 57.03 56.34 1s3t h ASP 108 Cb 0.21 0.00 -0.04 0.00 0.22 0.00 0.00 39.33 39.72 1s3t h ASP 108 CO 0.00 0.00 3.11 0.59 -1.72 0.00 0.00 179.24 181.22 1s3t n ASN 109 N -2.87 5.10 -0.16 6.45 3.02 -1.19 -4.75 115.26 120.86 1s3t n ASN 109 Ca 0.02 -2.83 -0.09 0.00 -0.03 0.00 0.00 54.58 51.64 1s3t n ASN 109 Cb 0.34 -1.61 0.00 0.00 -0.61 0.00 0.00 39.78 37.91 1s3t n ASN 109 CO 0.00 0.00 0.00 0.11 -2.62 0.00 0.00 177.26 174.75 1s3t h LYS 110 N 5.73 0.75 -0.74 3.52 1.57 -1.90 -2.16 116.57 123.34 1s3t h LYS 110 Ca 0.61 -0.19 -0.03 0.00 -1.87 0.00 0.00 60.65 59.17 1s3t h LYS 110 Cb 0.56 -0.10 -0.03 0.00 0.08 0.00 0.00 32.23 32.74 1s3t h LYS 110 CO 1.82 0.75 0.33 1.05 -0.57 0.00 0.00 179.45 182.84 1s3t h GLU 111 N 0.63 1.08 -0.42 3.15 4.11 -1.96 -0.70 114.58 120.47 1s3t h GLU 111 Ca 0.14 -0.17 -0.11 0.00 0.07 0.00 0.00 59.36 59.29 1s3t h GLU 111 Cb 0.34 -0.19 -0.01 0.00 0.50 0.00 0.00 28.75 29.39 1s3t h GLU 111 CO 0.00 0.86 -0.16 1.25 0.07 0.00 0.00 179.01 181.04 1s3t h LEU 112 N 1.05 0.87 -0.37 3.06 5.85 -1.91 -1.15 115.31 122.71 1s3t h LEU 112 Ca 0.25 -0.39 -0.00 0.00 0.84 0.00 0.00 57.88 58.58 1s3t h LEU 112 Cb 0.15 -0.24 -0.02 0.00 0.37 0.00 0.00 40.66 40.93 1s3t h LEU 112 CO -0.03 1.06 0.22 0.40 -0.34 0.00 0.00 178.44 179.75 1s3t h ILE 113 N 0.67 1.13 -0.50 4.05 2.04 -1.15 -2.23 117.51 121.53 1s3t h ILE 113 Ca 0.10 -0.31 -0.09 0.00 1.00 0.00 0.00 64.86 65.56 1s3t h ILE 113 Cb 0.71 0.66 -0.02 0.00 -0.74 0.00 0.00 36.82 37.43 1s3t h ILE 113 CO 0.05 0.13 -0.03 -0.07 0.00 0.00 0.00 178.15 178.23 1s3t h LEU 114 N 0.48 0.84 -0.37 1.44 3.38 -0.97 -0.63 115.31 119.48 1s3t h LEU 114 Ca 0.13 -0.23 -0.05 0.00 0.09 0.00 0.00 57.88 57.83 1s3t h LEU 114 Cb 0.02 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 40.53 1s3t h LEU 114 CO -0.02 0.92 0.05 1.56 0.09 0.00 0.00 178.44 181.03 1s3t h GLN 115 N 0.79 0.62 -0.66 1.13 4.20 -1.11 0.43 115.11 120.52 1s3t h GLN 115 Ca 0.14 -0.17 -0.02 0.00 0.06 0.00 0.00 58.65 58.66 1s3t h GLN 115 Cb 0.52 -0.07 -0.03 0.00 0.30 0.00 0.00 27.48 28.20 1s3t h GLN 115 CO 0.03 0.69 0.33 0.00 -0.67 0.00 0.00 178.83 179.21 1s3t h ARG 116 N 0.46 0.94 -0.62 1.46 3.08 -1.23 -1.68 114.38 116.79 1s3t h ARG 116 Ca 0.11 -0.13 -0.01 0.00 0.07 0.00 0.00 59.98 60.02 1s3t h ARG 116 Cb 0.38 -0.17 -0.03 0.00 0.08 0.00 0.00 29.97 30.23 1s3t h ARG 116 CO 0.01 0.74 0.35 0.00 -1.07 0.00 0.00 179.97 180.00 1s3t h ALA 117 N 1.15 0.79 -0.36 0.04 0.00 -0.84 -2.33 119.26 117.71 1s3t h ALA 117 Ca 0.23 -0.09 -0.05 0.00 0.00 0.00 0.00 54.91 55.00 1s3t h ALA 117 Cb 0.10 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.63 1s3t h ALA 117 CO -0.03 0.29 0.03 -0.22 0.00 0.00 0.00 179.25 179.32 1s3t h LYS 118 N 0.84 0.61 -0.40 0.00 3.11 -0.75 -0.70 116.57 119.27 1s3t h LYS 118 Ca 0.22 -0.18 -0.03 0.00 -2.81 0.00 0.00 60.65 57.85 1s3t h LYS 118 Cb 0.02 -0.06 -0.02 0.00 -1.00 0.00 0.00 32.23 31.16 1s3t h LYS 118 CO -0.04 0.70 0.12 0.93 -2.81 0.00 0.00 179.45 178.35 1s3t h GLU 119 N 0.43 0.59 -0.01 1.90 5.08 -1.12 -2.40 114.58 119.05 1s3t h GLU 119 Ca 0.10 -0.09 0.00 0.00 -1.00 0.00 0.00 59.36 58.37 1s3t h GLU 119 Cb 0.41 -0.10 0.00 0.00 0.50 0.00 0.00 28.75 29.56 1s3t h GLU 119 CO 0.01 0.52 -0.26 1.28 -1.00 0.00 0.00 179.01 179.56 1s3t n LEU 120 N -4.34 0.93 0.00 1.33 4.77 -0.89 -4.96 117.00 113.84 1s3t n LEU 120 Ca 0.03 -0.21 0.00 0.00 -0.03 0.00 0.00 56.01 55.79 1s3t n LEU 120 Cb 0.18 -0.14 0.00 0.00 -2.33 0.00 0.00 43.42 41.13 1s3t n LEU 120 CO 0.38 0.18 0.00 0.61 -1.33 0.00 0.00 177.39 177.22 1s3t n GLY 121 N 1.35 0.74 3.64 -0.72 0.00 -0.78 -5.03 105.19 104.39 1s3t n GLY 121 Ca 0.12 -0.69 -0.43 0.00 0.00 0.00 0.00 46.02 45.02 1s3t n GLY 121 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1s3t s TYR 122 N -2.00 2.57 0.25 1.61 1.51 -0.34 -4.80 117.35 116.15 1s3t s TYR 122 Ca 0.00 0.80 -0.30 0.00 -1.01 0.00 0.00 57.07 56.56 1s3t s TYR 122 Cb 0.00 -3.81 -0.09 0.00 -0.11 0.00 0.00 41.96 37.94 1s3t s TYR 122 CO 0.00 -2.09 1.33 0.15 -1.11 0.00 0.00 175.55 173.83 1s3t s LYS 123 N 4.08 4.36 0.00 -0.62 1.02 -0.75 -4.03 119.74 123.80 1s3t s LYS 123 Ca 0.60 2.14 0.00 0.00 0.02 0.00 0.00 55.97 58.73 1s3t s LYS 123 Cb -0.21 -3.14 0.00 0.00 -0.52 0.00 0.00 37.83 33.96 1s3t s LYS 123 CO 0.22 -0.26 0.00 0.41 -0.92 0.00 0.00 175.35 174.81 1s3t n GLY 124 N 1.91 1.62 3.66 -3.33 0.00 -1.26 -3.80 105.19 103.99 1s3t n GLY 124 Ca 0.05 -0.11 -0.42 0.00 0.00 0.00 0.00 46.02 45.53 1s3t n GLY 124 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1s3t s VAL 125 N -2.00 4.81 0.00 1.61 1.01 -1.26 -1.62 120.40 122.95 1s3t s VAL 125 Ca 0.00 1.74 0.00 0.00 0.00 0.00 0.00 61.98 63.72 1s3t s VAL 125 Cb 0.00 -4.19 0.00 0.00 0.00 0.00 0.00 36.38 32.19 1s3t s VAL 125 CO 0.00 -0.07 0.00 -0.62 0.00 0.00 0.00 175.10 174.41