#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1lcl h LEU 3 N 0.00 -1.71 -9.65 1.04 3.38 -1.88 -3.42 115.31 103.07 1lcl h LEU 3 Ca 0.00 0.22 -0.65 0.00 0.09 0.00 0.00 57.88 57.54 1lcl h LEU 3 Cb 0.00 0.70 -0.08 0.00 0.09 0.00 0.00 40.66 41.36 1lcl h LEU 3 CO 0.00 -0.42 -0.55 -0.76 0.09 0.00 0.00 178.44 176.80 1lcl s LEU 4 N -10.37 4.06 0.52 1.67 1.43 -0.08 -5.03 118.68 110.88 1lcl s LEU 4 Ca -0.15 0.22 -0.21 0.00 -1.03 0.00 0.00 54.13 52.96 1lcl s LEU 4 Cb 0.09 -2.38 -0.06 0.00 0.03 0.00 0.00 46.19 43.86 1lcl s LEU 4 CO 0.62 0.27 1.15 -2.16 0.23 0.00 0.00 176.35 176.46 1lcl s PRO 5 N -1.80 3.48 -0.05 1.29 0.04 -1.26 -4.30 135.00 132.41 1lcl s PRO 5 Ca 0.24 1.68 0.02 0.00 0.04 0.00 0.00 61.00 62.98 1lcl s PRO 5 Cb -0.12 -2.15 0.01 0.00 0.04 0.00 0.00 34.50 32.28 1lcl s PRO 5 CO 0.15 -0.76 -0.10 0.08 0.04 0.00 0.00 177.00 176.42 1lcl s VAL 6 N -1.68 0.95 0.28 -0.36 1.01 -1.26 -3.07 120.40 116.26 1lcl s VAL 6 Ca 0.70 -0.39 -0.30 0.00 0.00 0.00 0.00 61.98 61.99 1lcl s VAL 6 Cb -0.26 -0.87 -0.12 0.00 0.00 0.00 0.00 36.38 35.12 1lcl s VAL 6 CO 0.30 0.31 1.49 -2.65 0.00 0.00 0.00 175.10 174.54 1lcl n PRO 7 N 3.74 2.37 -4.11 2.72 -0.02 -1.26 -5.02 135.00 133.42 1lcl n PRO 7 Ca -0.23 0.84 -0.34 0.00 -2.02 0.00 0.00 63.50 61.75 1lcl n PRO 7 Cb 0.52 -2.55 -0.11 0.00 -0.02 0.00 0.00 33.50 31.34 1lcl n PRO 7 CO 0.00 0.00 0.00 -0.47 1.98 0.00 0.00 175.50 177.01 1lcl s TYR 8 N -0.16 3.16 -0.07 6.00 5.04 0.39 -4.96 117.35 126.73 1lcl s TYR 8 Ca 0.65 -0.11 0.03 0.00 -2.44 0.00 0.00 57.07 55.19 1lcl s TYR 8 Cb -0.56 -2.06 0.01 0.00 0.35 0.00 0.00 41.96 39.69 1lcl s TYR 8 CO 0.51 0.03 -0.16 0.99 -1.34 0.00 0.00 175.55 175.58 1lcl s THR 9 N 0.52 1.43 -0.02 4.34 2.01 -1.26 -0.43 115.64 122.23 1lcl s THR 9 Ca 0.01 -0.66 0.00 0.00 0.31 0.00 0.00 61.69 61.36 1lcl s THR 9 Cb -0.13 -1.27 0.02 0.00 0.01 0.00 0.00 72.50 71.13 1lcl s THR 9 CO 0.02 0.42 0.01 -0.70 -0.69 0.00 0.00 174.62 173.68 1lcl s GLU 10 N 0.52 0.08 0.37 4.92 2.12 -0.48 -5.00 118.70 121.24 1lcl s GLU 10 Ca -0.15 0.10 -0.27 0.00 0.36 0.00 0.00 54.97 55.01 1lcl s GLU 10 Cb -0.16 -0.27 -0.09 0.00 0.26 0.00 0.00 34.13 33.87 1lcl s GLU 10 CO 0.05 -0.11 1.26 0.00 -0.54 0.00 0.00 175.26 175.92 1lcl s ALA 11 N 0.77 3.33 0.11 6.30 0.00 -1.26 -1.29 121.76 129.72 1lcl s ALA 11 Ca -0.07 1.16 -0.20 0.00 0.00 0.00 0.00 51.96 52.85 1lcl s ALA 11 Cb -0.10 -3.45 0.05 0.00 0.00 0.00 0.00 23.12 19.62 1lcl s ALA 11 CO -0.02 -0.64 0.48 0.00 0.00 0.00 0.00 175.76 175.58 1lcl s ALA 12 N -1.24 -1.21 -0.04 0.00 0.00 -0.05 -4.87 121.76 114.36 1lcl s ALA 12 Ca 0.53 0.28 0.04 0.00 0.00 0.00 0.00 51.96 52.81 1lcl s ALA 12 Cb -0.37 0.64 -0.00 0.00 0.00 0.00 0.00 23.12 23.39 1lcl s ALA 12 CO 0.47 -0.63 -0.14 -1.12 0.00 0.00 0.00 175.76 174.35 1lcl s SER 13 N -2.52 1.77 0.09 0.00 0.01 -1.26 -3.74 113.70 108.05 1lcl s SER 13 Ca -0.00 -0.28 0.06 0.00 1.31 0.00 0.00 55.95 57.03 1lcl s SER 13 Cb 0.00 -0.48 -0.03 0.00 0.21 0.00 0.00 66.02 65.72 1lcl s SER 13 CO -0.09 0.12 -0.16 -0.76 0.41 0.00 0.00 173.24 172.76 1lcl s LEU 14 N 0.10 2.31 0.33 2.44 1.43 -1.26 -5.01 118.68 119.03 1lcl s LEU 14 Ca -0.03 -0.68 -0.17 0.00 -1.03 0.00 0.00 54.13 52.22 1lcl s LEU 14 Cb -0.10 -0.62 0.03 0.00 0.03 0.00 0.00 46.19 45.53 1lcl s LEU 14 CO 0.01 -0.05 0.73 -0.94 0.23 0.00 0.00 176.35 176.33 1lcl s SER 15 N -1.94 -0.06 0.12 2.29 1.04 -1.26 -3.58 113.70 110.31 1lcl s SER 15 Ca 0.03 -0.93 -0.33 0.00 0.48 0.00 0.00 55.95 55.19 1lcl s SER 15 Cb -0.09 0.78 -0.13 0.00 0.10 0.00 0.00 66.02 66.68 1lcl s SER 15 CO 0.03 -1.50 1.68 0.41 0.98 0.00 0.00 173.24 174.85 1lcl n THR 16 N -0.49 0.15 0.00 2.02 -1.04 -1.26 -1.25 114.28 112.41 1lcl n THR 16 Ca -0.06 -0.03 0.00 0.00 -2.04 0.00 0.00 64.05 61.93 1lcl n THR 16 Cb 0.60 -1.73 0.00 0.00 -1.82 0.00 0.00 70.33 67.38 1lcl n THR 16 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1lcl n GLY 17 N 3.77 2.55 3.78 3.41 0.00 0.06 -4.92 105.19 113.84 1lcl n GLY 17 Ca 0.18 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.85 1lcl n GLY 17 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1lcl s SER 18 N -1.40 5.78 -0.01 1.61 0.01 -0.38 -4.80 113.70 114.51 1lcl s SER 18 Ca 0.00 2.15 0.02 0.00 1.31 0.00 0.00 55.95 59.43 1lcl s SER 18 Cb 0.00 -2.58 0.00 0.00 0.21 0.00 0.00 66.02 63.65 1lcl s SER 18 CO 0.00 -1.18 -0.05 -0.89 0.41 0.00 0.00 173.24 171.53 1lcl s THR 19 N -1.79 0.47 -0.20 1.44 2.01 -1.26 -1.08 115.64 115.23 1lcl s THR 19 Ca 0.72 -0.21 -0.03 0.00 0.31 0.00 0.00 61.69 62.49 1lcl s THR 19 Cb -0.23 -0.43 -0.00 0.00 0.01 0.00 0.00 72.50 71.85 1lcl s THR 19 CO 0.26 0.15 -0.08 -0.69 -0.69 0.00 0.00 174.62 173.58 1lcl s VAL 20 N 0.15 3.13 -0.15 3.82 1.01 -0.20 -0.61 120.40 127.55 1lcl s VAL 20 Ca -0.02 -0.58 -0.01 0.00 0.00 0.00 0.00 61.98 61.37 1lcl s VAL 20 Cb -0.06 -2.40 -0.02 0.00 0.00 0.00 0.00 36.38 33.91 1lcl s VAL 20 CO -0.00 0.46 -0.10 -0.89 0.00 0.00 0.00 175.10 174.56 1lcl s THR 21 N 1.29 3.25 -0.09 3.92 2.01 0.28 -0.58 115.64 125.72 1lcl s THR 21 Ca 0.03 -0.58 0.02 0.00 0.31 0.00 0.00 61.69 61.48 1lcl s THR 21 Cb -0.14 -2.40 0.01 0.00 0.01 0.00 0.00 72.50 69.98 1lcl s THR 21 CO -0.04 0.50 -0.14 -0.63 -0.69 0.00 0.00 174.62 173.63 1lcl s ILE 22 N 0.55 1.32 -0.09 1.82 1.01 0.52 -1.32 121.20 125.01 1lcl s ILE 22 Ca -0.07 -0.56 0.04 0.00 0.00 0.00 0.00 60.65 60.06 1lcl s ILE 22 Cb -0.15 -1.21 0.00 0.00 0.01 0.00 0.00 42.46 41.11 1lcl s ILE 22 CO 0.03 0.40 -0.22 -0.75 0.00 0.00 0.00 174.94 174.40 1lcl s LYS 23 N 0.83 2.81 0.00 2.79 2.20 -0.17 -0.58 119.74 127.62 1lcl s LYS 23 Ca -0.11 -0.80 0.00 0.00 -0.36 0.00 0.00 55.97 54.70 1lcl s LYS 23 Cb -0.15 -2.14 0.00 0.00 -1.51 0.00 0.00 37.83 34.02 1lcl s LYS 23 CO 0.02 0.16 0.00 0.41 -0.36 0.00 0.00 175.35 175.57 1lcl n GLY 24 N 3.56 1.74 3.28 5.54 0.00 -0.94 -1.12 105.19 117.23 1lcl n GLY 24 Ca -0.20 -0.86 -0.13 0.00 0.00 0.00 0.00 46.02 44.83 1lcl n GLY 24 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1lcl s ARG 25 N -1.02 0.50 0.50 1.61 3.52 -0.53 -0.22 118.95 123.30 1lcl s ARG 25 Ca 0.00 0.42 -0.23 0.00 -0.13 0.00 0.00 55.73 55.79 1lcl s ARG 25 Cb 0.00 0.24 -0.06 0.00 -1.56 0.00 0.00 34.95 33.57 1lcl s ARG 25 CO 0.00 -0.08 1.28 -2.14 -0.81 0.00 0.00 175.30 173.56 1lcl s PRO 26 N -0.06 3.47 0.22 5.12 0.02 -1.26 -1.00 135.00 141.51 1lcl s PRO 26 Ca -0.02 2.07 0.11 0.00 0.02 0.00 0.00 61.00 63.17 1lcl s PRO 26 Cb -0.03 -2.38 0.04 0.00 0.02 0.00 0.00 34.50 32.16 1lcl s PRO 26 CO 0.01 -0.88 1.42 -0.07 -0.33 0.00 0.00 177.00 177.16 1lcl h LEU 27 N 1.82 0.00 -8.90 -5.54 3.38 -1.35 -3.45 115.31 101.28 1lcl h LEU 27 Ca -0.50 0.00 -0.36 0.00 0.09 0.00 0.00 57.88 57.11 1lcl h LEU 27 Cb 1.27 0.00 -0.14 0.00 0.09 0.00 0.00 40.66 41.88 1lcl h LEU 27 CO 0.59 0.73 -0.60 0.68 0.09 0.00 0.00 178.44 179.93 1lcl s VAL 28 N -3.00 0.50 0.65 1.22 -7.23 -1.26 -5.08 120.40 106.19 1lcl s VAL 28 Ca 0.02 -2.00 -0.17 0.00 -1.81 0.00 0.00 61.98 58.02 1lcl s VAL 28 Cb 0.10 -2.61 -0.01 0.00 0.56 0.00 0.00 36.38 34.42 1lcl s VAL 28 CO 0.78 0.00 1.20 0.00 -0.31 0.00 0.00 175.10 176.76 1lcl h PHE 30 N 0.36 0.22 -0.78 0.00 -1.00 -1.96 -1.55 116.94 112.24 1lcl h PHE 30 Ca -0.49 0.01 0.18 0.00 2.81 0.00 0.00 57.97 60.48 1lcl h PHE 30 Cb 1.29 -0.07 -0.05 0.00 3.61 0.00 0.00 35.95 40.73 1lcl h PHE 30 CO 0.48 0.12 0.53 1.25 -1.61 0.00 0.00 178.31 179.08 1lcl h LEU 31 N 0.22 0.27 -0.93 1.54 5.85 -1.91 0.68 115.31 121.04 1lcl h LEU 31 Ca 0.17 0.02 0.00 0.00 0.84 0.00 0.00 57.88 58.91 1lcl h LEU 31 Cb 0.39 -0.03 0.00 0.00 0.37 0.00 0.00 40.66 41.38 1lcl h LEU 31 CO -0.03 0.13 0.00 0.59 -0.34 0.00 0.00 178.44 178.79 1lcl n ASN 32 N -4.44 1.37 -3.58 1.25 3.02 -0.58 -4.97 115.26 107.33 1lcl n ASN 32 Ca 0.16 -1.82 -0.25 0.00 -0.03 0.00 0.00 54.58 52.63 1lcl n ASN 32 Cb 0.65 -0.13 0.03 0.00 -0.61 0.00 0.00 39.78 39.72 1lcl n ASN 32 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 1lcl n GLU 33 N 0.18 -1.33 -1.55 3.52 1.02 0.23 -4.99 120.64 117.72 1lcl n GLU 33 Ca 0.12 0.66 -0.31 0.00 -0.02 0.00 0.00 57.16 57.62 1lcl n GLU 33 Cb 0.25 -4.24 0.06 0.00 -0.02 0.00 0.00 31.44 27.49 1lcl n GLU 33 CO 0.00 0.00 0.00 -1.25 1.18 0.00 0.00 177.13 177.06 1lcl s PRO 34 N -5.33 2.80 0.32 3.49 0.04 -1.26 -4.79 135.00 130.26 1lcl s PRO 34 Ca 0.35 1.06 0.10 0.00 0.04 0.00 0.00 61.00 62.56 1lcl s PRO 34 Cb -0.12 -1.97 -0.05 0.00 0.04 0.00 0.00 34.50 32.40 1lcl s PRO 34 CO 0.84 -1.22 -0.07 0.71 0.04 0.00 0.00 177.00 177.30 1lcl s TYR 35 N -2.90 2.46 -0.02 0.56 1.51 -1.26 -1.45 117.35 116.24 1lcl s TYR 35 Ca 0.60 -0.40 0.00 0.00 -1.01 0.00 0.00 57.07 56.26 1lcl s TYR 35 Cb -0.15 -1.30 0.02 0.00 -0.11 0.00 0.00 41.96 40.42 1lcl s TYR 35 CO 0.52 0.59 0.00 -1.17 -1.11 0.00 0.00 175.55 174.38 1lcl s LEU 36 N -3.63 1.41 -0.02 -1.29 2.96 -0.45 -1.03 118.68 116.63 1lcl s LEU 36 Ca 0.33 -0.01 0.02 0.00 -0.22 0.00 0.00 54.13 54.24 1lcl s LEU 36 Cb -0.01 -0.13 0.01 0.00 0.50 0.00 0.00 46.19 46.55 1lcl s LEU 36 CO 0.17 -0.07 -0.05 -1.58 -1.32 0.00 0.00 176.35 173.50 1lcl s GLN 37 N 0.70 0.62 -0.15 1.98 0.74 -0.25 -0.57 119.66 122.72 1lcl s GLN 37 Ca -0.06 -0.16 0.00 0.00 0.05 0.00 0.00 55.36 55.19 1lcl s GLN 37 Cb -0.09 -0.62 0.03 0.00 1.10 0.00 0.00 33.01 33.42 1lcl s GLN 37 CO -0.02 0.03 -0.10 0.08 -0.55 0.00 0.00 175.29 174.74 1lcl s VAL 38 N 0.34 1.36 -0.11 1.34 1.01 0.08 -1.02 120.40 123.40 1lcl s VAL 38 Ca -0.04 -0.60 0.03 0.00 0.00 0.00 0.00 61.98 61.37 1lcl s VAL 38 Cb -0.08 -1.37 0.01 0.00 0.00 0.00 0.00 36.38 34.94 1lcl s VAL 38 CO -0.00 0.33 -0.20 -1.81 0.00 0.00 0.00 175.10 173.41 1lcl s ASP 39 N 1.56 2.81 -0.43 3.32 1.01 -0.42 -0.86 116.67 123.67 1lcl s ASP 39 Ca 0.03 -0.51 -0.16 0.00 0.71 0.00 0.00 52.55 52.62 1lcl s ASP 39 Cb -0.14 -1.29 0.03 0.00 1.01 0.00 0.00 42.92 42.54 1lcl s ASP 39 CO -0.09 0.10 0.36 -0.36 0.21 0.00 0.00 175.17 175.39 1lcl s PHE 40 N 0.60 3.22 0.25 4.23 0.08 -0.18 -1.29 117.98 124.89 1lcl s PHE 40 Ca -0.13 -0.61 -0.01 0.00 0.12 0.00 0.00 56.93 56.30 1lcl s PHE 40 Cb -0.17 -2.80 -0.04 0.00 -0.57 0.00 0.00 43.02 39.44 1lcl s PHE 40 CO 0.04 -0.67 0.46 -1.01 -0.10 0.00 0.00 175.22 173.94 1lcl s HIS 41 N 1.80 3.48 -0.41 0.36 3.76 0.39 -0.34 115.29 124.34 1lcl s HIS 41 Ca 0.07 0.39 0.23 0.00 -0.15 0.00 0.00 55.06 55.60 1lcl s HIS 41 Cb -0.20 -1.90 0.25 0.00 1.11 0.00 0.00 32.58 31.85 1lcl s HIS 41 CO 0.10 0.29 1.38 1.79 -0.85 0.00 0.00 174.74 177.45 1lcl h THR 42 N 1.33 0.00 -3.95 1.30 1.35 -1.50 0.19 112.91 111.63 1lcl h THR 42 Ca -0.48 -0.90 -0.31 0.00 -0.55 0.00 0.00 66.41 64.16 1lcl h THR 42 Cb 1.20 1.67 -0.15 0.00 -1.73 0.00 0.00 68.15 69.14 1lcl h THR 42 CO 0.66 0.00 -0.62 -1.61 -0.25 0.00 0.00 175.52 173.69 1lcl s GLU 43 N -3.25 1.30 0.13 4.72 0.41 -1.26 -4.20 118.70 116.55 1lcl s GLU 43 Ca 0.04 -1.69 0.19 0.00 -0.41 0.00 0.00 54.97 53.11 1lcl s GLU 43 Cb 0.08 -0.14 0.80 0.00 -1.78 0.00 0.00 34.13 33.09 1lcl s GLU 43 CO 0.71 -0.28 1.58 -1.33 -0.49 0.00 0.00 175.26 175.45 1lcl n MET 44 N -0.38 0.10 -3.42 1.61 2.81 -1.26 -4.45 117.12 112.14 1lcl n MET 44 Ca -0.01 0.35 -0.37 0.00 -1.81 0.00 0.00 57.70 55.86 1lcl n MET 44 Cb 0.66 -1.69 -0.06 0.00 -0.71 0.00 0.00 33.22 31.41 1lcl n MET 44 CO 0.00 0.00 0.00 -1.59 1.51 0.00 0.00 175.97 175.89 1lcl s LYS 45 N -3.17 3.97 0.58 0.03 -2.85 -1.26 -5.00 119.74 112.05 1lcl s LYS 45 Ca 0.05 0.46 0.36 0.00 -1.00 0.00 0.00 55.97 55.84 1lcl s LYS 45 Cb 0.09 -3.08 1.76 0.00 -2.06 0.00 0.00 37.83 34.54 1lcl s LYS 45 CO 0.32 0.58 2.15 1.05 0.10 0.00 0.00 175.35 179.55 1lcl h GLU 46 N 4.08 0.00 -0.00 1.78 4.11 -2.01 -2.07 114.58 120.46 1lcl h GLU 46 Ca -0.50 0.00 0.00 0.00 0.07 0.00 0.00 59.36 58.93 1lcl h GLU 46 Cb 1.20 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.45 1lcl h GLU 46 CO 0.64 0.04 -0.06 0.39 0.07 0.00 0.00 179.01 180.09 1lcl n GLU 47 N -3.26 0.87 -1.10 1.06 4.71 -1.26 -4.90 120.64 116.76 1lcl n GLU 47 Ca -0.01 -0.27 -0.29 0.00 -0.01 0.00 0.00 57.16 56.58 1lcl n GLU 47 Cb 0.20 -1.49 0.18 0.00 -1.01 0.00 0.00 31.44 29.32 1lcl n GLU 47 CO 0.00 0.00 0.00 -1.54 0.09 0.00 0.00 177.13 175.68 1lcl s SER 48 N -2.31 2.49 0.75 1.62 1.04 -0.78 -4.94 113.70 111.57 1lcl s SER 48 Ca 0.34 1.25 -0.15 0.00 0.48 0.00 0.00 55.95 57.87 1lcl s SER 48 Cb 0.21 -1.93 0.05 0.00 0.10 0.00 0.00 66.02 64.45 1lcl s SER 48 CO 0.43 -3.22 1.23 -1.81 0.98 0.00 0.00 173.24 170.86 1lcl s ASP 49 N -3.35 3.98 -0.22 7.02 1.01 -1.26 -4.79 116.67 119.05 1lcl s ASP 49 Ca 0.66 2.45 0.02 0.00 0.71 0.00 0.00 52.55 56.38 1lcl s ASP 49 Cb -0.19 -2.60 0.04 0.00 1.01 0.00 0.00 42.92 41.18 1lcl s ASP 49 CO 0.58 -2.42 -0.15 -0.63 0.21 0.00 0.00 175.17 172.77 1lcl s ILE 50 N -1.89 2.17 0.15 0.77 1.01 -0.31 -1.59 121.20 121.51 1lcl s ILE 50 Ca 0.76 -1.29 -0.10 0.00 0.00 0.00 0.00 60.65 60.03 1lcl s ILE 50 Cb -0.32 -2.11 -0.06 0.00 0.01 0.00 0.00 42.46 39.98 1lcl s ILE 50 CO 0.46 0.24 1.45 0.58 0.00 0.00 0.00 174.94 177.68 1lcl h VAL 51 N 6.36 1.28 -2.81 2.92 2.07 -0.95 -0.88 116.25 124.23 1lcl h VAL 51 Ca -0.32 -1.66 -0.30 0.00 0.82 0.00 0.00 66.70 65.24 1lcl h VAL 51 Cb 1.09 1.54 -0.35 0.00 -1.52 0.00 0.00 31.29 32.04 1lcl h VAL 51 CO 0.55 0.54 -0.62 0.12 0.02 0.00 0.00 177.57 178.18 1lcl s PHE 52 N -4.23 -0.25 -0.21 1.57 5.36 -1.22 -4.67 117.98 114.33 1lcl s PHE 52 Ca -0.10 0.47 -0.06 0.00 -0.96 0.00 0.00 56.93 56.28 1lcl s PHE 52 Cb 0.11 -0.28 -0.03 0.00 -0.34 0.00 0.00 43.02 42.48 1lcl s PHE 52 CO 0.88 -0.44 0.03 -1.58 -1.46 0.00 0.00 175.22 172.65 1lcl s HIS 53 N 2.32 3.08 -0.21 10.12 5.65 -0.06 -1.02 115.29 135.18 1lcl s HIS 53 Ca 0.04 -0.38 -0.01 0.00 0.25 0.00 0.00 55.06 54.97 1lcl s HIS 53 Cb -0.14 -2.12 0.06 0.00 -1.18 0.00 0.00 32.58 29.20 1lcl s HIS 53 CO -0.09 -0.22 -0.02 0.12 -0.65 0.00 0.00 174.74 173.88 1lcl s PHE 54 N 1.08 1.80 -0.12 3.88 5.36 -0.04 -2.13 117.98 127.82 1lcl s PHE 54 Ca 0.03 -1.33 0.01 0.00 -0.96 0.00 0.00 56.93 54.68 1lcl s PHE 54 Cb -0.14 -1.34 0.02 0.00 -0.34 0.00 0.00 43.02 41.21 1lcl s PHE 54 CO 0.02 -0.69 -0.16 -1.14 -1.46 0.00 0.00 175.22 171.79 1lcl s GLN 55 N 1.60 2.37 -0.18 10.12 0.74 -0.16 -0.74 119.66 133.41 1lcl s GLN 55 Ca -0.03 -0.61 -0.05 0.00 0.05 0.00 0.00 55.36 54.72 1lcl s GLN 55 Cb -0.18 -2.03 -0.03 0.00 1.10 0.00 0.00 33.01 31.87 1lcl s GLN 55 CO -0.07 -0.10 -0.01 0.08 -0.55 0.00 0.00 175.29 174.65 1lcl s VAL 56 N 1.08 4.04 -0.52 1.34 1.01 0.27 -0.59 120.40 127.02 1lcl s VAL 56 Ca -0.04 -0.29 -0.10 0.00 0.00 0.00 0.00 61.98 61.55 1lcl s VAL 56 Cb -0.14 -2.80 0.13 0.00 0.00 0.00 0.00 36.38 33.56 1lcl s VAL 56 CO -0.04 0.46 0.41 0.00 0.00 0.00 0.00 175.10 175.93 1lcl n PHE 58 N 4.77 1.75 0.00 0.00 3.72 -0.53 -0.80 117.46 126.36 1lcl n PHE 58 Ca -0.06 0.57 0.00 0.00 -0.05 0.00 0.00 57.45 57.91 1lcl n PHE 58 Cb 0.41 -2.39 0.00 0.00 -0.94 0.00 0.00 39.48 36.56 1lcl n PHE 58 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1lcl n GLY 59 N 3.16 2.32 0.73 1.37 0.00 -1.26 -4.59 105.19 106.92 1lcl n GLY 59 Ca 0.21 0.00 -0.00 0.00 0.00 0.00 0.00 46.02 46.23 1lcl n GLY 59 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1lcl n ARG 60 N -2.00 0.01 -3.83 1.61 3.00 0.02 -5.10 116.66 110.37 1lcl n ARG 60 Ca 0.00 0.00 -0.08 0.00 -0.01 0.00 0.00 57.85 57.77 1lcl n ARG 60 Cb 0.00 -0.17 0.00 0.00 0.00 0.00 0.00 32.46 32.29 1lcl n ARG 60 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 177.63 176.65 1lcl s ARG 61 N -1.08 2.00 -0.03 5.56 1.70 -1.00 -4.80 118.95 121.31 1lcl s ARG 61 Ca -0.00 -1.21 0.04 0.00 -0.47 0.00 0.00 55.73 54.08 1lcl s ARG 61 Cb 0.00 0.61 -0.00 0.00 -0.57 0.00 0.00 34.95 34.99 1lcl s ARG 61 CO 0.01 -0.93 -0.15 0.08 -1.08 0.00 0.00 175.30 173.23 1lcl s VAL 62 N -3.04 1.21 -0.06 4.99 1.01 0.20 -0.73 120.40 123.98 1lcl s VAL 62 Ca 0.14 -0.61 0.06 0.00 0.00 0.00 0.00 61.98 61.56 1lcl s VAL 62 Cb -0.05 -1.03 -0.01 0.00 0.00 0.00 0.00 36.38 35.28 1lcl s VAL 62 CO 0.09 0.35 -0.24 -0.69 0.00 0.00 0.00 175.10 174.62 1lcl s VAL 63 N -0.02 1.95 0.06 2.92 1.01 0.24 -0.74 120.40 125.82 1lcl s VAL 63 Ca -0.01 -1.00 0.06 0.00 0.00 0.00 0.00 61.98 61.03 1lcl s VAL 63 Cb -0.09 -1.66 -0.03 0.00 0.00 0.00 0.00 36.38 34.60 1lcl s VAL 63 CO 0.01 0.54 -0.17 -0.04 0.00 0.00 0.00 175.10 175.44 1lcl s MET 64 N -0.05 1.02 0.04 2.72 -1.94 0.18 -0.98 119.30 120.28 1lcl s MET 64 Ca -0.06 -0.93 -0.07 0.00 -1.71 0.00 0.00 55.69 52.92 1lcl s MET 64 Cb -0.14 -1.11 0.02 0.00 2.01 0.00 0.00 34.83 35.62 1lcl s MET 64 CO 0.04 0.26 0.34 -1.71 -0.01 0.00 0.00 175.02 173.95 1lcl n ASN 65 N 1.54 -0.48 -3.97 3.03 2.85 -0.90 -0.61 115.26 116.71 1lcl n ASN 65 Ca -0.19 -1.21 -0.09 0.00 -0.11 0.00 0.00 54.58 52.98 1lcl n ASN 65 Cb 0.54 0.76 -0.11 0.00 1.24 0.00 0.00 39.78 42.22 1lcl n ASN 65 CO 0.00 0.00 0.00 -0.94 -2.11 0.00 0.00 177.26 174.21 1lcl s SER 66 N -1.78 0.23 -0.27 1.20 1.04 -1.26 -0.88 113.70 111.98 1lcl s SER 66 Ca 0.08 -0.50 0.01 0.00 0.48 0.00 0.00 55.95 56.03 1lcl s SER 66 Cb -0.01 0.11 0.05 0.00 0.10 0.00 0.00 66.02 66.28 1lcl s SER 66 CO 0.01 -0.32 -0.08 -0.60 0.98 0.00 0.00 173.24 173.23 1lcl s ARG 67 N -1.57 2.35 -0.13 4.02 3.52 -0.34 -1.04 118.95 125.77 1lcl s ARG 67 Ca -0.15 -1.29 0.01 0.00 -0.13 0.00 0.00 55.73 54.18 1lcl s ARG 67 Cb -0.09 -2.96 -0.01 0.00 -1.56 0.00 0.00 34.95 30.34 1lcl s ARG 67 CO -0.01 -0.56 -0.17 -1.21 -0.81 0.00 0.00 175.30 172.54 1lcl s GLU 68 N 1.16 3.23 -1.54 5.12 2.02 0.86 -1.16 118.70 128.38 1lcl s GLU 68 Ca -0.07 -0.76 -0.13 0.00 0.02 0.00 0.00 54.97 54.03 1lcl s GLU 68 Cb -0.19 -2.54 0.09 0.00 0.10 0.00 0.00 34.13 31.58 1lcl s GLU 68 CO -0.04 0.12 0.87 0.66 0.02 0.00 0.00 175.26 176.89 1lcl n TYR 69 N 3.75 -2.08 -0.97 1.61 4.01 -1.26 -1.12 117.16 121.10 1lcl n TYR 69 Ca -0.19 0.86 0.00 0.00 -0.16 0.00 0.00 57.90 58.42 1lcl n TYR 69 Cb 0.52 -3.76 0.00 0.00 -0.31 0.00 0.00 39.34 35.79 1lcl n TYR 69 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1lcl n GLY 70 N -1.64 0.91 3.36 2.72 0.00 -1.26 -5.02 105.19 104.26 1lcl n GLY 70 Ca -0.01 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.69 1lcl n GLY 70 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1lcl s ALA 71 N -3.70 2.43 0.23 4.61 0.00 -0.27 -5.08 121.76 119.98 1lcl s ALA 71 Ca 0.00 -0.99 -0.30 0.00 0.00 0.00 0.00 51.96 50.67 1lcl s ALA 71 Cb 0.00 -0.89 -0.09 0.00 0.00 0.00 0.00 23.12 22.14 1lcl s ALA 71 CO 0.00 0.42 1.22 -1.58 0.00 0.00 0.00 175.76 175.82 1lcl s TRP 72 N -0.23 3.36 0.00 0.00 0.52 -1.26 -0.10 118.94 121.23 1lcl s TRP 72 Ca -0.00 1.44 0.00 0.00 0.02 0.00 0.00 56.10 57.56 1lcl s TRP 72 Cb -0.13 -3.47 0.00 0.00 -1.15 0.00 0.00 33.47 28.71 1lcl s TRP 72 CO 0.03 -1.31 0.00 1.63 0.02 0.00 0.00 176.95 177.32 1lcl n LYS 73 N 1.97 3.74 -2.29 4.98 4.76 -0.20 -4.92 118.16 126.20 1lcl n LYS 73 Ca 0.03 0.00 -0.43 0.00 -2.87 0.00 0.00 58.31 55.04 1lcl n LYS 73 Cb 0.44 0.00 -0.02 0.00 -1.84 0.00 0.00 35.03 33.60 1lcl n LYS 73 CO 0.00 0.00 0.00 -1.14 -1.37 0.00 0.00 177.40 174.89 1lcl s GLN 74 N 3.16 4.02 0.26 1.97 0.74 -1.26 -4.86 119.66 123.69 1lcl s GLN 74 Ca 0.00 1.61 -0.30 0.00 0.05 0.00 0.00 55.36 56.72 1lcl s GLN 74 Cb 0.00 -3.90 -0.09 0.00 1.10 0.00 0.00 33.01 30.12 1lcl s GLN 74 CO 0.00 -1.00 1.02 -1.14 -0.55 0.00 0.00 175.29 173.63 1lcl s GLN 75 N 4.07 4.74 -0.12 1.67 0.74 -1.26 -4.68 119.66 124.82 1lcl s GLN 75 Ca 0.62 1.66 0.01 0.00 0.05 0.00 0.00 55.36 57.70 1lcl s GLN 75 Cb -0.23 -3.23 -0.01 0.00 1.10 0.00 0.00 33.01 30.64 1lcl s GLN 75 CO 0.23 0.36 -0.16 0.08 -0.55 0.00 0.00 175.29 175.24 1lcl s VAL 76 N -1.17 2.79 -0.03 1.34 1.01 0.22 -4.97 120.40 119.58 1lcl s VAL 76 Ca 0.43 -0.76 0.07 0.00 0.00 0.00 0.00 61.98 61.72 1lcl s VAL 76 Cb -0.29 -2.14 -0.02 0.00 0.00 0.00 0.00 36.38 33.92 1lcl s VAL 76 CO 0.37 0.54 -0.23 -0.70 0.00 0.00 0.00 175.10 175.07 1lcl s GLU 77 N 0.30 2.24 0.03 2.72 2.12 -1.26 -0.65 118.70 124.20 1lcl s GLU 77 Ca -0.12 -0.87 0.04 0.00 0.36 0.00 0.00 54.97 54.38 1lcl s GLU 77 Cb -0.16 -2.13 -0.02 0.00 0.26 0.00 0.00 34.13 32.08 1lcl s GLU 77 CO 0.06 0.56 -0.12 0.45 -0.54 0.00 0.00 175.26 175.67 1lcl s SER 78 N -0.60 1.45 0.00 -1.70 0.15 0.08 -4.99 113.70 108.09 1lcl s SER 78 Ca 0.09 -0.39 0.21 0.00 0.70 0.00 0.00 55.95 56.56 1lcl s SER 78 Cb -0.10 -0.10 0.07 0.00 -1.71 0.00 0.00 66.02 64.18 1lcl s SER 78 CO -0.00 0.04 1.08 0.29 1.20 0.00 0.00 173.24 175.84 1lcl n LYS 79 N 2.13 1.66 -1.80 5.44 4.76 -1.26 -0.62 118.16 128.46 1lcl n LYS 79 Ca -0.17 -1.32 -0.42 0.00 -2.87 0.00 0.00 58.31 53.53 1lcl n LYS 79 Cb 0.55 -1.40 -0.03 0.00 -1.84 0.00 0.00 35.03 32.31 1lcl n LYS 79 CO 0.00 0.00 0.00 1.21 -1.37 0.00 0.00 177.40 177.24 1lcl s ASN 80 N -2.03 6.45 -0.40 4.39 2.47 -1.26 -4.86 114.94 119.70 1lcl s ASN 80 Ca 0.20 2.80 0.03 0.00 0.42 0.00 0.00 52.86 56.31 1lcl s ASN 80 Cb 0.17 -2.60 0.16 0.00 -1.45 0.00 0.00 41.25 37.53 1lcl s ASN 80 CO 0.39 -0.92 0.32 -0.32 -3.72 0.00 0.00 177.10 172.85 1lcl s MET 81 N 1.02 0.83 0.43 0.43 -2.45 -1.26 -4.72 119.30 113.58 1lcl s MET 81 Ca 0.72 -1.96 0.27 0.00 -1.25 0.00 0.00 55.69 53.48 1lcl s MET 81 Cb -0.48 -1.39 0.85 0.00 1.25 0.00 0.00 34.83 35.07 1lcl s MET 81 CO 0.33 -1.36 1.78 -1.35 1.05 0.00 0.00 175.02 175.48 1lcl h PRO 82 N 5.89 0.00 -6.94 4.11 0.11 -1.96 -3.46 132.00 129.75 1lcl h PRO 82 Ca 0.23 0.00 -0.53 0.00 0.11 0.00 0.00 66.00 65.81 1lcl h PRO 82 Cb 0.92 0.00 0.09 0.00 0.11 0.00 0.00 31.00 32.12 1lcl h PRO 82 CO 0.35 0.00 0.66 -0.06 -0.21 0.00 0.00 178.00 178.74 1lcl s PHE 83 N -3.38 2.76 -0.14 0.65 0.08 -1.26 -5.01 117.98 111.68 1lcl s PHE 83 Ca 0.05 1.35 -0.05 0.00 0.12 0.00 0.00 56.93 58.40 1lcl s PHE 83 Cb 0.08 -3.77 -0.04 0.00 -0.57 0.00 0.00 43.02 38.72 1lcl s PHE 83 CO 0.58 -2.34 0.03 -0.65 -0.10 0.00 0.00 175.22 172.74 1lcl s GLN 84 N -2.16 3.55 0.17 0.44 -1.52 -1.26 -4.90 119.66 113.97 1lcl s GLN 84 Ca 0.55 -0.39 -0.34 0.00 -1.95 0.00 0.00 55.36 53.24 1lcl s GLN 84 Cb -0.41 -3.01 -0.14 0.00 -0.22 0.00 0.00 33.01 29.24 1lcl s GLN 84 CO 0.53 0.44 1.59 -3.47 -0.25 0.00 0.00 175.29 174.14 1lcl n ASP 85 N 2.97 3.20 0.00 5.90 -0.08 -1.26 -1.86 116.55 125.42 1lcl n ASP 85 Ca -0.18 1.08 0.00 0.00 -1.51 0.00 0.00 54.79 54.19 1lcl n ASP 85 Cb 0.53 -1.45 0.00 0.00 2.34 0.00 0.00 41.12 42.54 1lcl n ASP 85 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1lcl n GLY 86 N 3.43 0.25 3.77 0.27 0.00 -1.26 -5.00 105.19 106.65 1lcl n GLY 86 Ca 0.17 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.92 1lcl n GLY 86 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1lcl s GLN 87 N -1.01 2.79 0.40 1.61 -1.52 -0.78 -4.98 119.66 116.18 1lcl s GLN 87 Ca 0.00 -0.88 -0.24 0.00 -1.95 0.00 0.00 55.36 52.29 1lcl s GLN 87 Cb 0.00 -2.60 -0.09 0.00 -0.22 0.00 0.00 33.01 30.10 1lcl s GLN 87 CO 0.00 0.49 1.04 -2.00 -0.25 0.00 0.00 175.29 174.57 1lcl s GLU 88 N -2.93 4.18 0.22 2.91 2.12 -1.26 -4.34 118.70 119.60 1lcl s GLU 88 Ca 0.30 1.47 0.09 0.00 0.36 0.00 0.00 54.97 57.19 1lcl s GLU 88 Cb -0.10 -2.52 -0.05 0.00 0.26 0.00 0.00 34.13 31.72 1lcl s GLU 88 CO 0.22 -0.12 -0.17 -0.59 -0.54 0.00 0.00 175.26 174.06 1lcl s PHE 89 N -1.70 1.93 -0.18 5.30 -0.12 0.69 -4.96 117.98 118.94 1lcl s PHE 89 Ca 0.58 -0.47 0.01 0.00 -0.05 0.00 0.00 56.93 57.00 1lcl s PHE 89 Cb -0.21 -0.89 0.03 0.00 -0.63 0.00 0.00 43.02 41.33 1lcl s PHE 89 CO 0.26 0.47 -0.12 -2.00 -0.05 0.00 0.00 175.22 173.78 1lcl s GLU 90 N -3.39 2.14 -0.19 1.99 2.12 -1.26 -2.22 118.70 117.89 1lcl s GLU 90 Ca 0.23 -0.72 -0.02 0.00 0.36 0.00 0.00 54.97 54.83 1lcl s GLU 90 Cb -0.03 -2.28 -0.00 0.00 0.26 0.00 0.00 34.13 32.07 1lcl s GLU 90 CO 0.09 -0.35 -0.11 -1.17 -0.54 0.00 0.00 175.26 173.19 1lcl s LEU 91 N 1.44 2.65 -0.12 2.70 2.96 0.25 -0.29 118.68 128.27 1lcl s LEU 91 Ca 0.01 -0.44 0.03 0.00 -0.22 0.00 0.00 54.13 53.51 1lcl s LEU 91 Cb -0.15 -1.64 0.00 0.00 0.50 0.00 0.00 46.19 44.91 1lcl s LEU 91 CO -0.09 0.03 -0.21 -0.44 -1.32 0.00 0.00 176.35 174.32 1lcl s SER 92 N 1.14 3.26 -0.26 3.68 0.01 -0.47 -0.35 113.70 120.71 1lcl s SER 92 Ca 0.01 -0.54 0.01 0.00 1.31 0.00 0.00 55.95 56.74 1lcl s SER 92 Cb -0.14 -1.46 0.05 0.00 0.21 0.00 0.00 66.02 64.67 1lcl s SER 92 CO -0.03 0.12 -0.09 -0.63 0.41 0.00 0.00 173.24 173.03 1lcl s ILE 93 N 0.56 2.46 -0.07 1.44 1.01 0.25 -0.45 121.20 126.40 1lcl s ILE 93 Ca -0.12 -1.41 -0.11 0.00 0.00 0.00 0.00 60.65 59.01 1lcl s ILE 93 Cb -0.17 -2.37 -0.05 0.00 0.01 0.00 0.00 42.46 39.89 1lcl s ILE 93 CO 0.04 0.05 0.26 -0.44 0.00 0.00 0.00 174.94 174.85 1lcl s SER 94 N 1.19 6.57 -0.49 3.58 0.01 0.49 -1.03 113.70 124.02 1lcl s SER 94 Ca -0.05 0.68 -0.16 0.00 1.31 0.00 0.00 55.95 57.72 1lcl s SER 94 Cb -0.19 -2.15 0.08 0.00 0.21 0.00 0.00 66.02 63.97 1lcl s SER 94 CO -0.05 0.36 0.46 -0.69 0.41 0.00 0.00 173.24 173.74 1lcl s VAL 95 N -0.98 5.15 0.56 3.43 1.01 -0.24 -1.22 120.40 128.11 1lcl s VAL 95 Ca 0.19 -0.99 0.02 0.00 0.00 0.00 0.00 61.98 61.19 1lcl s VAL 95 Cb -0.14 -4.20 0.04 0.00 0.00 0.00 0.00 36.38 32.09 1lcl s VAL 95 CO 0.08 -0.67 0.79 -0.76 0.00 0.00 0.00 175.10 174.53 1lcl s LEU 96 N 1.87 3.25 0.24 3.92 1.43 0.76 -0.76 118.68 129.40 1lcl s LEU 96 Ca 0.06 -0.10 -0.06 0.00 -1.03 0.00 0.00 54.13 53.00 1lcl s LEU 96 Cb -0.24 -2.72 0.29 0.00 0.03 0.00 0.00 46.19 43.55 1lcl s LEU 96 CO 0.07 -1.21 1.88 -0.65 0.23 0.00 0.00 176.35 176.68 1lcl h PRO 97 N 0.04 1.09 0.00 1.29 0.11 -1.97 -3.20 132.00 129.36 1lcl h PRO 97 Ca -0.41 -0.07 -0.05 0.00 0.11 0.00 0.00 66.00 65.58 1lcl h PRO 97 Cb 1.29 -0.25 -0.01 0.00 0.11 0.00 0.00 31.00 32.15 1lcl h PRO 97 CO 0.50 0.72 -1.91 -0.40 -0.21 0.00 0.00 178.00 176.71 1lcl n ASP 98 N -4.52 0.14 -3.39 -2.05 5.75 -1.26 -4.94 116.55 106.27 1lcl n ASP 98 Ca 0.12 0.05 -0.05 0.00 -0.01 0.00 0.00 54.79 54.90 1lcl n ASP 98 Cb 0.10 1.62 0.01 0.00 -1.03 0.00 0.00 41.12 41.82 1lcl n ASP 98 CO 0.00 0.00 0.00 -1.59 -0.11 0.00 0.00 177.20 175.50 1lcl s LYS 99 N -3.35 1.53 -0.06 0.11 -2.85 -1.21 -1.98 119.74 111.92 1lcl s LYS 99 Ca -0.07 -0.95 -0.13 0.00 -1.00 0.00 0.00 55.97 53.83 1lcl s LYS 99 Cb 0.12 0.45 -0.05 0.00 -2.06 0.00 0.00 37.83 36.29 1lcl s LYS 99 CO 0.88 -0.71 0.32 0.71 0.10 0.00 0.00 175.35 176.65 1lcl s TYR 100 N -2.58 3.64 -0.13 1.78 2.02 -0.38 -0.17 117.35 121.53 1lcl s TYR 100 Ca 0.17 0.80 0.02 0.00 -0.37 0.00 0.00 57.07 57.69 1lcl s TYR 100 Cb -0.03 -2.22 -0.00 0.00 -0.40 0.00 0.00 41.96 39.31 1lcl s TYR 100 CO 0.06 0.58 -0.18 -1.14 -1.57 0.00 0.00 175.55 173.30 1lcl s GLN 101 N -0.74 3.21 -0.24 -0.62 0.74 -0.35 -1.96 119.66 119.69 1lcl s GLN 101 Ca 0.20 -0.78 -0.05 0.00 0.05 0.00 0.00 55.36 54.79 1lcl s GLN 101 Cb -0.15 -2.50 -0.00 0.00 1.10 0.00 0.00 33.01 31.45 1lcl s GLN 101 CO 0.09 0.14 -0.01 0.08 -0.55 0.00 0.00 175.29 175.04 1lcl s VAL 102 N 0.49 3.54 -0.11 1.34 1.01 0.61 -0.38 120.40 126.90 1lcl s VAL 102 Ca -0.12 -0.54 -0.03 0.00 0.00 0.00 0.00 61.98 61.28 1lcl s VAL 102 Cb -0.16 -2.68 -0.03 0.00 0.00 0.00 0.00 36.38 33.50 1lcl s VAL 102 CO 0.05 0.33 0.03 -0.04 0.00 0.00 0.00 175.10 175.47 1lcl s MET 103 N 1.48 3.24 -0.23 2.72 1.00 0.40 -0.94 119.30 126.98 1lcl s MET 103 Ca 0.05 -0.37 0.01 0.00 0.00 0.00 0.00 55.69 55.38 1lcl s MET 103 Cb -0.15 -2.92 0.04 0.00 0.00 0.00 0.00 34.83 31.80 1lcl s MET 103 CO -0.02 0.62 -0.13 0.08 0.00 0.00 0.00 175.02 175.57 1lcl s VAL 104 N -0.63 2.30 -1.40 -6.03 1.01 -0.03 -1.37 120.40 114.25 1lcl s VAL 104 Ca 0.11 -1.24 -0.07 0.00 0.00 0.00 0.00 61.98 60.77 1lcl s VAL 104 Cb -0.12 -2.17 0.04 0.00 0.00 0.00 0.00 36.38 34.13 1lcl s VAL 104 CO 0.02 0.23 0.95 0.59 0.00 0.00 0.00 175.10 176.90 1lcl n ASN 105 N 4.56 -3.82 0.00 3.32 5.03 0.60 -1.59 115.26 123.35 1lcl n ASN 105 Ca -0.17 -0.72 0.00 0.00 0.87 0.00 0.00 54.58 54.55 1lcl n ASN 105 Cb 0.46 -4.31 0.00 0.00 -1.02 0.00 0.00 39.78 34.91 1lcl n ASN 105 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1lcl n GLY 106 N -1.67 0.78 3.48 7.41 0.00 -1.26 -5.02 105.19 108.90 1lcl n GLY 106 Ca -0.10 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.59 1lcl n GLY 106 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1lcl s GLN 107 N -0.14 3.63 0.14 1.61 0.74 -0.62 -5.05 119.66 119.96 1lcl s GLN 107 Ca 0.00 -0.54 -0.31 0.00 0.05 0.00 0.00 55.36 54.55 1lcl s GLN 107 Cb 0.00 -2.88 -0.10 0.00 1.10 0.00 0.00 33.01 31.13 1lcl s GLN 107 CO 0.00 0.22 1.66 0.45 -0.55 0.00 0.00 175.29 177.07 1lcl s SER 108 N 0.40 6.53 0.00 6.67 0.15 -1.26 -0.85 113.70 125.33 1lcl s SER 108 Ca -0.05 2.64 0.00 0.00 0.70 0.00 0.00 55.95 59.25 1lcl s SER 108 Cb -0.14 -2.58 0.00 0.00 -1.71 0.00 0.00 66.02 61.58 1lcl s SER 108 CO 0.03 -0.89 0.00 -1.20 1.20 0.00 0.00 173.24 172.38 1lcl n SER 109 N 4.67 2.76 -3.80 5.45 7.64 -0.12 -4.90 113.62 125.32 1lcl n SER 109 Ca 0.15 0.00 -0.11 0.00 1.01 0.00 0.00 58.87 59.92 1lcl n SER 109 Cb 0.38 0.24 -0.08 0.00 -1.01 0.00 0.00 64.21 63.74 1lcl n SER 109 CO 0.00 0.00 0.00 -0.31 -3.01 0.00 0.00 175.04 171.72 1lcl s TYR 110 N -1.57 -0.05 0.05 1.43 2.02 -1.04 -4.97 117.35 113.23 1lcl s TYR 110 Ca 0.00 -0.08 0.01 0.00 -0.37 0.00 0.00 57.07 56.63 1lcl s TYR 110 Cb 0.00 0.04 -0.03 0.00 -0.40 0.00 0.00 41.96 41.57 1lcl s TYR 110 CO 0.00 -0.44 -0.05 0.95 -1.57 0.00 0.00 175.55 174.44 1lcl s THR 111 N -2.25 0.40 -0.20 -0.71 -4.23 -1.26 -0.28 115.64 107.11 1lcl s THR 111 Ca -0.07 -1.42 -0.04 0.00 -1.18 0.00 0.00 61.69 58.97 1lcl s THR 111 Cb -0.02 -1.00 0.10 0.00 1.34 0.00 0.00 72.50 72.91 1lcl s THR 111 CO -0.02 -0.68 0.32 0.12 -0.54 0.00 0.00 174.62 173.82 1lcl s PHE 112 N -2.55 -0.59 0.35 3.99 5.36 -0.83 -4.97 117.98 118.75 1lcl s PHE 112 Ca -0.02 0.85 -0.28 0.00 -0.96 0.00 0.00 56.93 56.51 1lcl s PHE 112 Cb -0.02 -0.04 -0.11 0.00 -0.34 0.00 0.00 43.02 42.52 1lcl s PHE 112 CO -0.04 -0.55 1.39 -0.51 -1.46 0.00 0.00 175.22 174.05 1lcl s ASP 113 N 2.47 6.58 0.21 6.13 1.01 -1.26 -1.26 116.67 130.55 1lcl s ASP 113 Ca 0.06 2.85 -0.32 0.00 0.71 0.00 0.00 52.55 55.86 1lcl s ASP 113 Cb -0.14 -2.66 -0.11 0.00 1.01 0.00 0.00 42.92 41.02 1lcl s ASP 113 CO -0.12 -0.69 1.66 -1.00 0.21 0.00 0.00 175.17 175.23 1lcl s HIS 114 N -1.13 2.93 -0.19 4.23 3.76 -0.84 -4.88 115.29 119.17 1lcl s HIS 114 Ca 0.51 0.48 0.11 0.00 -0.15 0.00 0.00 55.06 56.01 1lcl s HIS 114 Cb -0.43 -4.07 -0.20 0.00 1.11 0.00 0.00 32.58 29.00 1lcl s HIS 114 CO 0.58 -3.96 -0.02 0.54 -0.85 0.00 0.00 174.74 171.02 1lcl n ARG 115 N 3.73 0.94 -4.26 1.40 1.74 -1.26 -4.97 116.66 113.98 1lcl n ARG 115 Ca 0.14 0.04 -0.19 0.00 -0.77 0.00 0.00 57.85 57.07 1lcl n ARG 115 Cb 0.36 -1.45 -0.13 0.00 -1.02 0.00 0.00 32.46 30.22 1lcl n ARG 115 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 1lcl s ILE 116 N -2.44 1.02 0.37 0.55 1.01 -1.26 -5.12 121.20 115.34 1lcl s ILE 116 Ca -0.16 -1.07 -0.28 0.00 0.00 0.00 0.00 60.65 59.15 1lcl s ILE 116 Cb 0.06 -0.96 -0.11 0.00 0.01 0.00 0.00 42.46 41.46 1lcl s ILE 116 CO 0.66 -0.10 1.47 2.29 0.00 0.00 0.00 174.94 179.26 1lcl n LYS 117 N 1.71 2.62 0.26 2.79 2.85 -1.26 -4.86 118.16 122.28 1lcl n LYS 117 Ca -0.19 0.92 0.15 0.00 -1.05 0.00 0.00 58.31 58.14 1lcl n LYS 117 Cb 0.55 -2.63 0.87 0.00 -0.65 0.00 0.00 35.03 33.16 1lcl n LYS 117 CO 0.00 0.00 0.00 -1.35 -0.05 0.00 0.00 177.40 176.00 1lcl h PRO 118 N 2.93 0.00 0.00 -1.58 0.11 -1.99 -1.03 132.00 130.44 1lcl h PRO 118 Ca -0.50 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.61 1lcl h PRO 118 Cb 1.25 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.36 1lcl h PRO 118 CO 0.64 0.00 0.00 0.39 -0.21 0.00 0.00 178.00 178.82 1lcl n GLU 119 N -3.87 0.13 0.12 1.05 4.71 -1.23 -1.57 120.64 119.97 1lcl n GLU 119 Ca -0.01 0.53 0.13 0.00 -0.01 0.00 0.00 57.16 57.79 1lcl n GLU 119 Cb 0.17 -1.84 0.38 0.00 -1.01 0.00 0.00 31.44 29.14 1lcl n GLU 119 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 1lcl h ALA 120 N 2.12 1.00 -2.54 0.62 0.00 -1.50 -3.46 119.26 115.49 1lcl h ALA 120 Ca 0.00 0.00 -0.53 0.00 0.00 0.00 0.00 54.91 54.38 1lcl h ALA 120 Cb 0.13 0.00 0.02 0.00 0.00 0.00 0.00 17.79 17.94 1lcl h ALA 120 CO 0.00 0.00 0.70 0.08 0.00 0.00 0.00 179.25 180.03 1lcl s VAL 121 N -3.14 3.40 0.00 0.00 1.01 -0.61 -4.40 120.40 116.66 1lcl s VAL 121 Ca 0.10 1.01 0.00 0.00 0.00 0.00 0.00 61.98 63.09 1lcl s VAL 121 Cb 0.11 -3.65 0.00 0.00 0.00 0.00 0.00 36.38 32.84 1lcl s VAL 121 CO 0.59 0.08 0.00 0.29 0.00 0.00 0.00 175.10 176.06 1lcl n LYS 122 N 3.88 4.34 -3.67 2.72 5.02 0.04 -4.45 118.16 126.04 1lcl n LYS 122 Ca 0.11 0.00 -0.15 0.00 -2.02 0.00 0.00 58.31 56.25 1lcl n LYS 122 Cb 0.43 -0.57 -0.08 0.00 -0.02 0.00 0.00 35.03 34.79 1lcl n LYS 122 CO 0.00 0.00 0.00 1.41 -0.52 0.00 0.00 177.40 178.29 1lcl s MET 123 N -1.10 0.78 -0.07 1.97 0.00 -1.09 -0.87 119.30 118.92 1lcl s MET 123 Ca 0.00 0.14 0.03 0.00 0.00 0.00 0.00 55.69 55.87 1lcl s MET 123 Cb 0.00 0.36 0.01 0.00 0.00 0.00 0.00 34.83 35.20 1lcl s MET 123 CO 0.00 -0.21 -0.17 0.08 0.00 0.00 0.00 175.02 174.72 1lcl s VAL 124 N -0.94 1.52 -0.11 10.11 1.01 -0.41 -0.46 120.40 131.13 1lcl s VAL 124 Ca -0.10 -0.72 0.03 0.00 0.00 0.00 0.00 61.98 61.20 1lcl s VAL 124 Cb -0.03 -1.34 0.00 0.00 0.00 0.00 0.00 36.38 35.01 1lcl s VAL 124 CO 0.05 0.44 -0.22 -1.58 0.00 0.00 0.00 175.10 173.79 1lcl s GLN 125 N 0.42 2.93 -0.16 2.72 0.74 -0.41 -1.39 119.66 124.51 1lcl s GLN 125 Ca -0.14 -0.83 0.01 0.00 0.05 0.00 0.00 55.36 54.44 1lcl s GLN 125 Cb -0.16 -2.26 0.01 0.00 1.10 0.00 0.00 33.01 31.70 1lcl s GLN 125 CO 0.05 0.12 -0.17 0.08 -0.55 0.00 0.00 175.29 174.82 1lcl s VAL 126 N 0.50 2.42 0.00 1.34 1.01 0.42 -1.30 120.40 124.80 1lcl s VAL 126 Ca -0.15 -0.84 0.00 0.00 0.00 0.00 0.00 61.98 60.98 1lcl s VAL 126 Cb -0.17 -2.02 0.00 0.00 0.00 0.00 0.00 36.38 34.19 1lcl s VAL 126 CO 0.06 0.52 0.00 -2.67 0.00 0.00 0.00 175.10 173.01 1lcl n TRP 127 N 4.28 -0.50 -1.99 5.22 4.27 -0.19 -0.47 117.44 128.07 1lcl n TRP 127 Ca -0.20 0.00 0.00 0.00 -3.89 0.00 0.00 57.50 53.41 1lcl n TRP 127 Cb 0.51 0.00 0.00 0.00 -1.36 0.00 0.00 31.31 30.46 1lcl n TRP 127 CO 0.00 0.00 0.00 0.54 -2.29 0.00 0.00 177.69 175.94 1lcl n ARG 128 N 0.00 0.00 -1.51 -2.67 5.12 -1.26 -1.09 116.66 115.25 1lcl n ARG 128 Ca 0.00 0.00 -0.39 0.00 -1.93 0.00 0.00 57.85 55.53 1lcl n ARG 128 Cb 0.00 0.00 -0.02 0.00 -1.16 0.00 0.00 32.46 31.28 1lcl n ARG 128 CO 0.00 0.00 0.00 -0.25 -1.93 0.00 0.00 177.63 175.45 1lcl n ASP 129 N 0.40 8.57 -4.12 0.55 8.00 -0.19 -4.89 116.55 124.86 1lcl n ASP 129 Ca 0.00 -2.73 -0.08 0.00 0.71 0.00 0.00 54.79 52.68 1lcl n ASP 129 Cb 0.00 -1.50 -0.10 0.00 -0.02 0.00 0.00 41.12 39.50 1lcl n ASP 129 CO 0.00 0.00 0.00 0.27 -0.39 0.00 0.00 177.20 177.08 1lcl s ILE 130 N 1.22 0.24 -0.04 0.53 -4.36 -1.26 -0.92 121.20 116.61 1lcl s ILE 130 Ca 0.65 -1.86 -0.01 0.00 -0.26 0.00 0.00 60.65 59.18 1lcl s ILE 130 Cb 0.18 -1.73 -0.04 0.00 1.25 0.00 0.00 42.46 42.13 1lcl s ILE 130 CO -0.07 -0.79 0.03 -0.94 0.24 0.00 0.00 174.94 173.41 1lcl s SER 131 N -2.98 5.37 -0.17 4.36 1.04 -0.17 -4.83 113.70 116.31 1lcl s SER 131 Ca 0.14 0.11 -0.00 0.00 0.48 0.00 0.00 55.95 56.67 1lcl s SER 131 Cb 0.08 -1.50 0.00 0.00 0.10 0.00 0.00 66.02 64.70 1lcl s SER 131 CO -0.05 0.32 -0.14 -0.22 0.98 0.00 0.00 173.24 174.13 1lcl s LEU 132 N -1.33 2.50 -0.10 2.42 2.96 -1.26 -1.46 118.68 122.41 1lcl s LEU 132 Ca 0.18 -0.48 0.15 0.00 -0.22 0.00 0.00 54.13 53.76 1lcl s LEU 132 Cb -0.12 -1.58 -0.22 0.00 0.50 0.00 0.00 46.19 44.77 1lcl s LEU 132 CO 0.08 0.05 0.18 0.35 -1.32 0.00 0.00 176.35 175.69 1lcl n THR 133 N 4.29 0.65 -3.74 3.68 -2.24 -0.28 -0.90 114.28 115.74 1lcl n THR 133 Ca -0.19 -0.56 -0.13 0.00 -2.27 0.00 0.00 64.05 60.90 1lcl n THR 133 Cb 0.51 -0.31 -0.11 0.00 -2.10 0.00 0.00 70.33 68.33 1lcl n THR 133 CO 0.00 0.00 0.00 -0.75 -0.57 0.00 0.00 175.07 173.75 1lcl s LYS 134 N -2.70 0.40 -0.05 -0.78 2.36 -0.89 -4.74 119.74 113.33 1lcl s LYS 134 Ca -0.07 0.54 -0.02 0.00 -2.55 0.00 0.00 55.97 53.86 1lcl s LYS 134 Cb 0.07 0.15 0.04 0.00 -1.05 0.00 0.00 37.83 37.04 1lcl s LYS 134 CO 0.67 -0.07 0.10 0.12 1.55 0.00 0.00 175.35 177.72 1lcl s PHE 135 N 0.42 -0.05 -0.10 4.03 5.36 -1.26 -1.00 117.98 125.38 1lcl s PHE 135 Ca -0.02 0.39 -0.09 0.00 -0.96 0.00 0.00 56.93 56.25 1lcl s PHE 135 Cb -0.04 -0.31 0.03 0.00 -0.34 0.00 0.00 43.02 42.36 1lcl s PHE 135 CO -0.02 -0.20 0.27 1.21 -1.46 0.00 0.00 175.22 175.03 1lcl s ASN 136 N 1.90 -0.29 -0.12 6.13 3.84 -0.43 -5.00 114.94 120.97 1lcl s ASN 136 Ca 0.00 0.56 0.02 0.00 0.21 0.00 0.00 52.86 53.65 1lcl s ASN 136 Cb -0.12 0.55 -0.00 0.00 -0.55 0.00 0.00 41.25 41.12 1lcl s ASN 136 CO -0.04 -0.11 -0.20 -0.69 -2.79 0.00 0.00 177.10 173.28 1lcl s VAL 137 N 0.31 2.43 -0.39 -5.21 1.01 -1.26 -0.56 120.40 116.73 1lcl s VAL 137 Ca -0.01 -0.88 -0.29 0.00 0.00 0.00 0.00 61.98 60.80 1lcl s VAL 137 Cb -0.03 -1.97 0.01 0.00 0.00 0.00 0.00 36.38 34.38 1lcl s VAL 137 CO -0.01 0.54 1.35 -0.44 0.00 0.00 0.00 175.10 176.54 1lcl s SER 138 N 0.43 6.46 -0.42 3.32 0.01 0.22 -4.91 113.70 118.81 1lcl s SER 138 Ca -0.14 0.89 0.05 0.00 1.31 0.00 0.00 55.95 58.06 1lcl s SER 138 Cb -0.17 -2.54 0.53 0.00 0.21 0.00 0.00 66.02 64.05 1lcl s SER 138 CO 0.06 -1.31 1.67 -1.22 0.41 0.00 0.00 173.24 172.84 1lcl n TYR 139 N 8.38 2.30 0.02 2.43 4.01 -1.26 -4.34 117.16 128.69 1lcl n TYR 139 Ca 0.15 -2.08 -0.11 0.00 -0.16 0.00 0.00 57.90 55.71 1lcl n TYR 139 Cb 0.48 -0.80 -0.14 0.00 -0.31 0.00 0.00 39.34 38.57 1lcl n TYR 139 CO 0.00 0.00 0.00 -0.07 -0.46 0.00 0.00 176.86 176.33 1lcl h LEU 140 N 1.40 0.11-10.36 7.72 4.07 -1.96 -3.47 115.31 112.81 1lcl h LEU 140 Ca 0.43 -0.17 -0.49 0.00 0.08 0.00 0.00 57.88 57.73 1lcl h LEU 140 Cb 1.75 -0.03 0.05 0.00 1.08 0.00 0.00 40.66 43.51 1lcl h LEU 140 CO 0.89 1.15 0.21 -0.54 -1.08 0.00 0.00 178.44 179.06 1lcl s LYS 141 N -2.63 3.34 0.00 1.13 1.02 -1.26 -5.20 119.74 116.13 1lcl s LYS 141 Ca -0.05 0.26 0.28 0.00 0.02 0.00 0.00 55.97 56.49 1lcl s LYS 141 Cb 0.08 -2.27 1.13 0.00 -0.52 0.00 0.00 37.83 36.25 1lcl s LYS 141 CO 0.83 -0.46 1.79 2.89 -0.92 0.00 0.00 175.35 179.48