#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1gob s LEU 2 N 0.00 4.36 0.50 -0.89 1.43 -1.26 -4.96 118.68 117.87 1gob s LEU 2 Ca 0.00 1.66 0.30 0.00 -1.03 0.00 0.00 54.13 55.06 1gob s LEU 2 Cb 0.00 -3.57 1.04 0.00 0.03 0.00 0.00 46.19 43.69 1gob s LEU 2 CO 0.00 -0.27 1.86 0.11 0.23 0.00 0.00 176.35 178.28 1gob h LYS 3 N 6.81 0.00 -6.23 1.70 1.79 -1.99 -3.45 116.57 115.21 1gob h LYS 3 Ca -0.41 0.00 -0.69 0.00 -2.18 0.00 0.00 60.65 57.37 1gob h LYS 3 Cb 1.22 0.00 -0.28 0.00 -1.58 0.00 0.00 32.23 31.59 1gob h LYS 3 CO 0.76 0.00 -0.83 -1.14 -1.08 0.00 0.00 179.45 177.15 1gob s GLN 4 N -3.51 2.49 0.17 3.15 0.74 -1.26 -4.86 119.66 116.59 1gob s GLN 4 Ca 0.03 -0.81 -0.30 0.00 0.05 0.00 0.00 55.36 54.33 1gob s GLN 4 Cb 0.08 -2.26 -0.07 0.00 1.10 0.00 0.00 33.01 31.86 1gob s GLN 4 CO 0.57 0.51 1.07 0.08 -0.55 0.00 0.00 175.29 176.97 1gob s VAL 5 N -0.45 3.99 -0.11 1.34 1.01 0.17 -4.93 120.40 121.42 1gob s VAL 5 Ca 0.05 1.72 0.04 0.00 0.00 0.00 0.00 61.98 63.79 1gob s VAL 5 Cb -0.12 -4.10 0.00 0.00 0.00 0.00 0.00 36.38 32.17 1gob s VAL 5 CO 0.01 0.30 -0.23 -1.61 0.00 0.00 0.00 175.10 173.57 1gob s GLU 6 N -0.36 2.95 -0.01 2.72 2.02 -1.00 -0.19 118.70 124.84 1gob s GLU 6 Ca 0.48 -0.84 0.07 0.00 0.02 0.00 0.00 54.97 54.70 1gob s GLU 6 Cb -0.28 -2.27 -0.02 0.00 0.10 0.00 0.00 34.13 31.66 1gob s GLU 6 CO 0.34 0.13 -0.21 0.42 0.02 0.00 0.00 175.26 175.96 1gob s ILE 7 N 0.46 1.67 -0.08 -1.63 1.01 -0.60 -0.79 121.20 121.25 1gob s ILE 7 Ca -0.16 -0.95 0.00 0.00 0.00 0.00 0.00 60.65 59.54 1gob s ILE 7 Cb -0.17 -1.40 0.02 0.00 0.01 0.00 0.00 42.46 40.92 1gob s ILE 7 CO 0.07 0.43 -0.06 -0.36 0.00 0.00 0.00 174.94 175.02 1gob s PHE 8 N -0.54 1.08 0.16 3.97 0.08 -0.17 -2.07 117.98 120.48 1gob s PHE 8 Ca 0.08 -0.42 0.07 0.00 0.12 0.00 0.00 56.93 56.78 1gob s PHE 8 Cb -0.08 -0.95 -0.04 0.00 -0.57 0.00 0.00 43.02 41.38 1gob s PHE 8 CO -0.00 -0.34 -0.15 0.95 -0.10 0.00 0.00 175.22 175.57 1gob s THR 9 N 1.39 1.55 0.09 0.64 -4.23 -0.99 -0.10 115.64 114.00 1gob s THR 9 Ca -0.02 -1.93 -0.25 0.00 -1.18 0.00 0.00 61.69 58.30 1gob s THR 9 Cb -0.13 -1.78 0.07 0.00 1.34 0.00 0.00 72.50 72.00 1gob s THR 9 CO -0.03 -0.46 0.62 -0.62 -0.54 0.00 0.00 174.62 173.58 1gob s ASP 10 N -2.80 -0.59 -0.01 3.99 3.68 -0.56 -4.61 116.67 115.78 1gob s ASP 10 Ca 0.15 0.24 -0.10 0.00 2.13 0.00 0.00 52.55 54.96 1gob s ASP 10 Cb -0.03 0.57 0.01 0.00 -1.45 0.00 0.00 42.92 42.02 1gob s ASP 10 CO 0.05 -0.84 0.21 -0.83 0.13 0.00 0.00 175.17 173.89 1gob s GLY 11 N -2.21 -0.05 -0.01 2.66 0.00 -1.26 -2.46 107.32 103.99 1gob s GLY 11 Ca -0.03 0.10 -0.15 0.00 0.00 0.00 0.00 44.72 44.63 1gob s GLY 11 CO -0.05 -0.07 0.33 -0.45 0.00 0.00 0.00 173.10 172.86 1gob s SER 12 N -1.27 -0.20 -0.20 1.64 0.15 -0.39 -4.78 113.70 108.64 1gob s SER 12 Ca -0.13 0.08 -0.11 0.00 0.70 0.00 0.00 55.95 56.48 1gob s SER 12 Cb -0.06 0.33 0.07 0.00 -1.71 0.00 0.00 66.02 64.64 1gob s SER 12 CO 0.03 -0.48 0.49 0.00 1.20 0.00 0.00 173.24 174.48 1gob n LEU 14 N 4.33 0.23 0.00 0.00 4.77 -0.59 -4.89 117.00 120.85 1gob n LEU 14 Ca -0.22 0.53 0.00 0.00 -0.03 0.00 0.00 56.01 56.29 1gob n LEU 14 Cb 0.56 -0.46 0.00 0.00 -2.33 0.00 0.00 43.42 41.19 1gob n LEU 14 CO 0.05 -0.09 0.00 0.61 -1.33 0.00 0.00 177.39 176.63 1gob n GLY 15 N 1.26 3.60 2.67 -0.72 0.00 -1.26 -4.93 105.19 105.80 1gob n GLY 15 Ca 0.06 -0.62 -0.10 0.00 0.00 0.00 0.00 46.02 45.36 1gob n GLY 15 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1gob n ASN 16 N 0.00 -2.59 -4.88 1.61 5.15 -1.26 -4.07 115.26 109.22 1gob n ASN 16 Ca 0.00 -3.05 -0.30 0.00 -0.60 0.00 0.00 54.58 50.63 1gob n ASN 16 Cb 0.00 1.38 -0.04 0.00 -0.53 0.00 0.00 39.78 40.59 1gob n ASN 16 CO 0.00 0.00 0.00 -2.16 1.40 0.00 0.00 177.26 176.50 1gob s PRO 17 N 0.51 3.77 0.31 1.20 0.04 -1.26 -5.09 135.00 134.48 1gob s PRO 17 Ca 0.32 0.35 -0.10 0.00 0.04 0.00 0.00 61.00 61.61 1gob s PRO 17 Cb 0.14 -2.48 0.01 0.00 0.04 0.00 0.00 34.50 32.21 1gob s PRO 17 CO -0.17 0.08 0.55 0.20 0.04 0.00 0.00 177.00 177.70 1gob s GLY 18 N -3.00 0.82 0.42 0.56 0.00 -0.82 -4.74 107.32 100.56 1gob s GLY 18 Ca 0.49 -1.06 -0.26 0.00 0.00 0.00 0.00 44.72 43.89 1gob s GLY 18 CO 0.29 -0.67 1.40 -4.14 0.00 0.00 0.00 173.10 169.97 1gob s PRO 19 N -3.30 3.87 0.25 2.90 0.02 -1.05 -1.18 135.00 136.52 1gob s PRO 19 Ca 0.23 2.36 -0.05 0.00 0.02 0.00 0.00 61.00 63.57 1gob s PRO 19 Cb -0.02 -2.76 -0.02 0.00 0.02 0.00 0.00 34.50 31.72 1gob s PRO 19 CO 0.14 -0.65 0.33 0.20 -0.33 0.00 0.00 177.00 176.69 1gob s GLY 20 N -0.50 1.22 0.36 0.52 0.00 -0.25 -1.54 107.32 107.13 1gob s GLY 20 Ca 0.58 -1.42 -0.09 0.00 0.00 0.00 0.00 44.72 43.78 1gob s GLY 20 CO 0.55 -1.07 0.63 -0.32 0.00 0.00 0.00 173.10 172.89 1gob s GLY 21 N -3.15 0.94 0.06 0.20 0.00 0.55 -0.29 107.32 105.63 1gob s GLY 21 Ca 0.32 -1.14 -0.17 0.00 0.00 0.00 0.00 44.72 43.73 1gob s GLY 21 CO 0.14 -0.66 0.40 -2.52 0.00 0.00 0.00 173.10 170.46 1gob s TYR 22 N -2.73 -0.24 -0.06 1.90 -0.85 -0.73 -1.26 117.35 113.39 1gob s TYR 22 Ca 0.23 0.15 -0.03 0.00 -0.52 0.00 0.00 57.07 56.90 1gob s TYR 22 Cb -0.03 0.22 0.03 0.00 0.38 0.00 0.00 41.96 42.56 1gob s TYR 22 CO 0.16 -0.59 0.13 0.20 -1.52 0.00 0.00 175.55 173.93 1gob s GLY 23 N -2.15 -0.02 0.03 5.49 0.00 -1.03 -2.94 107.32 106.70 1gob s GLY 23 Ca -0.04 0.59 0.04 0.00 0.00 0.00 0.00 44.72 45.31 1gob s GLY 23 CO -0.04 0.87 -0.12 0.00 0.00 0.00 0.00 173.10 173.81 1gob s ALA 24 N 1.02 0.96 -0.10 3.20 0.00 -0.97 -1.49 121.76 124.38 1gob s ALA 24 Ca -0.08 -0.72 0.03 0.00 0.00 0.00 0.00 51.96 51.19 1gob s ALA 24 Cb -0.10 -0.14 0.01 0.00 0.00 0.00 0.00 23.12 22.89 1gob s ALA 24 CO -0.05 0.16 -0.18 0.42 0.00 0.00 0.00 175.76 176.11 1gob s ILE 25 N -0.81 1.64 -0.12 0.00 1.01 0.86 -2.39 121.20 121.38 1gob s ILE 25 Ca -0.00 -0.76 0.03 0.00 0.00 0.00 0.00 60.65 59.91 1gob s ILE 25 Cb -0.07 -1.46 0.00 0.00 0.01 0.00 0.00 42.46 40.94 1gob s ILE 25 CO 0.01 0.47 -0.21 -0.22 0.00 0.00 0.00 174.94 174.99 1gob s LEU 26 N 0.64 2.21 -0.52 2.97 2.96 -0.05 -1.00 118.68 125.89 1gob s LEU 26 Ca -0.14 -0.54 -0.04 0.00 -0.22 0.00 0.00 54.13 53.20 1gob s LEU 26 Cb -0.16 -1.46 0.14 0.00 0.50 0.00 0.00 46.19 45.20 1gob s LEU 26 CO 0.04 0.12 0.34 -0.13 -1.32 0.00 0.00 176.35 175.40 1gob s ARG 27 N 0.57 2.35 -0.08 1.98 0.52 0.03 -0.69 118.95 123.62 1gob s ARG 27 Ca -0.12 -2.14 0.01 0.00 -0.52 0.00 0.00 55.73 52.96 1gob s ARG 27 Cb -0.17 -3.72 0.02 0.00 0.52 0.00 0.00 34.95 31.61 1gob s ARG 27 CO 0.04 -1.14 -0.08 -0.47 0.02 0.00 0.00 175.30 173.67 1gob s TYR 28 N 0.63 1.22 0.00 -0.53 6.04 -1.10 -2.36 117.35 121.24 1gob s TYR 28 Ca 0.12 -0.49 0.00 0.00 0.04 0.00 0.00 57.07 56.74 1gob s TYR 28 Cb -0.22 -1.00 0.00 0.00 -1.04 0.00 0.00 41.96 39.70 1gob s TYR 28 CO -0.04 -0.34 0.00 0.54 -1.54 0.00 0.00 175.55 174.17 1gob n ARG 29 N 4.39 0.00 0.00 4.97 5.12 -1.26 -1.97 116.66 127.90 1gob n ARG 29 Ca -0.18 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 55.74 1gob n ARG 29 Cb 0.51 0.00 0.00 0.00 -1.16 0.00 0.00 32.46 31.81 1gob n ARG 29 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1gob n GLY 30 N 0.00 0.79 3.98 -0.13 0.00 -1.26 -4.49 105.19 104.08 1gob n GLY 30 Ca 0.00 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.84 1gob n GLY 30 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1gob s ARG 31 N -0.58 2.71 -0.31 1.61 0.52 -0.83 -5.10 118.95 116.95 1gob s ARG 31 Ca 0.00 -1.35 -0.02 0.00 -0.52 0.00 0.00 55.73 53.84 1gob s ARG 31 Cb 0.00 -2.66 0.10 0.00 0.52 0.00 0.00 34.95 32.92 1gob s ARG 31 CO 0.00 -0.32 0.13 -2.00 0.02 0.00 0.00 175.30 173.13 1gob s GLU 32 N -4.33 0.56 0.21 3.54 2.12 -1.26 -2.70 118.70 116.83 1gob s GLU 32 Ca 0.54 -0.96 -0.13 0.00 0.36 0.00 0.00 54.97 54.78 1gob s GLU 32 Cb -0.08 -1.68 -0.07 0.00 0.26 0.00 0.00 34.13 32.56 1gob s GLU 32 CO 0.32 -1.03 0.59 0.15 -0.54 0.00 0.00 175.26 174.75 1gob s LYS 33 N 1.67 3.94 -0.13 4.30 1.02 0.13 -4.91 119.74 125.76 1gob s LYS 33 Ca 0.11 0.46 -0.01 0.00 0.02 0.00 0.00 55.97 56.55 1gob s LYS 33 Cb -0.18 -2.75 0.03 0.00 -0.52 0.00 0.00 37.83 34.41 1gob s LYS 33 CO -0.26 0.37 -0.04 0.99 -0.92 0.00 0.00 175.35 175.49 1gob s THR 34 N -1.67 0.85 0.03 2.17 2.01 -1.26 -0.88 115.64 116.89 1gob s THR 34 Ca 0.44 -0.32 0.01 0.00 0.31 0.00 0.00 61.69 62.13 1gob s THR 34 Cb -0.13 -1.00 -0.04 0.00 0.01 0.00 0.00 72.50 71.35 1gob s THR 34 CO 0.20 0.22 0.10 -0.36 -0.69 0.00 0.00 174.62 174.08 1gob s PHE 35 N 1.76 3.30 -0.30 4.92 0.08 -1.01 -5.01 117.98 121.72 1gob s PHE 35 Ca 0.03 0.18 -0.22 0.00 0.12 0.00 0.00 56.93 57.04 1gob s PHE 35 Cb -0.14 -1.71 0.19 0.00 -0.57 0.00 0.00 43.02 40.80 1gob s PHE 35 CO -0.07 0.55 1.37 0.45 -0.10 0.00 0.00 175.22 177.42 1gob s SER 36 N -2.05 -0.08 -0.08 1.36 0.15 -1.26 -2.30 113.70 109.44 1gob s SER 36 Ca 0.27 0.14 -0.30 0.00 0.70 0.00 0.00 55.95 56.76 1gob s SER 36 Cb -0.12 0.40 0.11 0.00 -1.71 0.00 0.00 66.02 64.71 1gob s SER 36 CO 0.18 -0.02 0.96 0.00 1.20 0.00 0.00 173.24 175.56 1gob s ALA 37 N 0.34 -1.89 0.11 5.45 0.00 -1.15 -5.03 121.76 119.59 1gob s ALA 37 Ca 0.03 1.29 0.09 0.00 0.00 0.00 0.00 51.96 53.36 1gob s ALA 37 Cb -0.04 -0.06 -0.04 0.00 0.00 0.00 0.00 23.12 22.98 1gob s ALA 37 CO -0.14 -0.54 -0.21 0.20 0.00 0.00 0.00 175.76 175.07 1gob s GLY 38 N -1.93 1.31 -0.04 0.00 0.00 -1.26 -1.77 107.32 103.64 1gob s GLY 38 Ca 0.03 -1.31 0.04 0.00 0.00 0.00 0.00 44.72 43.48 1gob s GLY 38 CO -0.04 -1.32 -0.16 -0.19 0.00 0.00 0.00 173.10 171.38 1gob s TYR 39 N -1.27 1.61 0.20 1.90 1.51 0.60 -2.05 117.35 119.85 1gob s TYR 39 Ca 0.09 -0.43 -0.11 0.00 -1.01 0.00 0.00 57.07 55.61 1gob s TYR 39 Cb -0.09 -1.08 0.22 0.00 -0.11 0.00 0.00 41.96 40.90 1gob s TYR 39 CO 0.05 -0.13 1.76 1.79 -1.11 0.00 0.00 175.55 177.90 1gob h THR 40 N 5.17 0.83 -3.34 -0.71 1.35 -1.64 -0.64 112.91 113.93 1gob h THR 40 Ca -0.33 -0.14 -0.31 0.00 -0.55 0.00 0.00 66.41 65.08 1gob h THR 40 Cb 1.17 0.37 -0.35 0.00 -1.73 0.00 0.00 68.15 67.61 1gob h THR 40 CO 0.48 0.08 -0.69 -0.60 -0.25 0.00 0.00 175.52 174.54 1gob s ARG 41 N -6.11 -0.01 0.00 4.72 3.52 -1.26 -2.53 118.95 117.28 1gob s ARG 41 Ca -0.13 0.34 0.00 0.00 -0.13 0.00 0.00 55.73 55.81 1gob s ARG 41 Cb 0.16 -0.31 0.00 0.00 -1.56 0.00 0.00 34.95 33.24 1gob s ARG 41 CO 0.74 -0.23 0.00 -2.37 -0.81 0.00 0.00 175.30 172.62 1gob n THR 42 N 4.68 0.00 -4.43 4.11 5.66 -0.32 -4.36 114.28 119.62 1gob n THR 42 Ca -0.17 0.00 -0.21 0.00 -3.05 0.00 0.00 64.05 60.62 1gob n THR 42 Cb 0.50 0.00 -0.10 0.00 -1.55 0.00 0.00 70.33 69.18 1gob n THR 42 CO 0.00 0.00 0.00 0.42 -3.05 0.00 0.00 175.07 172.44 1gob s THR 43 N -2.22 1.68 0.20 1.09 -4.23 -1.26 -1.94 115.64 108.95 1gob s THR 43 Ca 0.00 -2.14 -0.06 0.00 -1.18 0.00 0.00 61.69 58.31 1gob s THR 43 Cb 0.00 -2.44 0.02 0.00 1.34 0.00 0.00 72.50 71.42 1gob s THR 43 CO 0.00 -0.31 1.59 -1.13 -0.54 0.00 0.00 174.62 174.23 1gob h ASN 44 N 2.28 0.84 -0.24 3.99 -1.24 -1.87 -2.00 115.58 117.34 1gob h ASN 44 Ca -0.40 -0.32 -0.09 0.00 0.71 0.00 0.00 56.30 56.20 1gob h ASN 44 Cb 1.23 -0.23 -0.02 0.00 0.73 0.00 0.00 38.32 40.04 1gob h ASN 44 CO 0.67 1.05 -0.13 0.78 -1.29 0.00 0.00 177.43 178.51 1gob h ASN 45 N 0.70 0.64 0.75 1.15 -0.26 -1.96 -1.72 115.58 114.87 1gob h ASN 45 Ca 0.09 -0.19 -0.15 0.00 -0.56 0.00 0.00 56.30 55.50 1gob h ASN 45 Cb 0.80 -0.17 -0.02 0.00 -1.06 0.00 0.00 38.32 37.86 1gob h ASN 45 CO 0.07 0.79 -0.69 0.03 -1.06 0.00 0.00 177.43 176.57 1gob h ARG 46 N 0.59 0.00 -0.16 0.81 3.08 -1.93 -2.83 114.38 113.94 1gob h ARG 46 Ca 0.10 0.00 -0.21 0.00 0.07 0.00 0.00 59.98 59.94 1gob h ARG 46 Cb 0.57 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.62 1gob h ARG 46 CO 0.04 0.69 -0.73 0.52 -1.07 0.00 0.00 179.97 179.42 1gob h MET 47 N 0.00 0.71 0.00 0.04 2.86 -1.15 -1.11 114.93 116.28 1gob h MET 47 Ca -0.01 -0.56 -0.05 0.00 -2.06 0.00 0.00 59.70 57.03 1gob h MET 47 Cb 1.25 0.11 -0.01 0.00 0.06 0.00 0.00 31.60 33.01 1gob h MET 47 CO 0.09 1.17 -0.22 0.93 1.06 0.00 0.00 176.91 179.95 1gob h GLU 48 N 0.50 0.00 0.08 1.72 5.08 -1.32 -2.17 114.58 118.46 1gob h GLU 48 Ca -0.04 0.00 -0.33 0.00 -1.00 0.00 0.00 59.36 58.00 1gob h GLU 48 Cb 1.34 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 30.56 1gob h GLU 48 CO 0.15 0.22 -1.79 -0.07 -1.00 0.00 0.00 179.01 176.51 1gob h LEU 49 N 0.00 0.26 -0.62 1.33 3.38 -1.49 -3.36 115.31 114.82 1gob h LEU 49 Ca -0.00 -0.52 -0.01 0.00 0.09 0.00 0.00 57.88 57.44 1gob h LEU 49 Cb 0.58 -0.09 -0.03 0.00 0.09 0.00 0.00 40.66 41.21 1gob h LEU 49 CO 0.03 1.46 0.36 -0.03 0.09 0.00 0.00 178.44 180.35 1gob h MET 50 N 0.05 0.85 -0.58 1.13 4.05 -0.97 -2.38 114.93 117.08 1gob h MET 50 Ca -0.33 -0.09 0.06 0.00 -0.28 0.00 0.00 59.70 59.06 1gob h MET 50 Cb 2.02 -0.17 -0.09 0.00 -0.80 0.00 0.00 31.60 32.56 1gob h MET 50 CO 0.10 0.63 -0.56 0.00 0.23 0.00 0.00 176.91 177.31 1gob h ALA 51 N 1.18 -0.71 -0.09 0.39 0.00 -1.53 -1.35 119.26 117.15 1gob h ALA 51 Ca 0.22 0.03 -0.00 0.00 0.00 0.00 0.00 54.91 55.16 1gob h ALA 51 Cb 0.01 1.19 -0.00 0.00 0.00 0.00 0.00 17.79 18.99 1gob h ALA 51 CO -0.04 -1.03 0.04 0.00 0.00 0.00 0.00 179.25 178.23 1gob h ALA 52 N 0.12 0.11 0.10 0.00 0.00 -1.68 -2.96 119.26 114.95 1gob h ALA 52 Ca 0.10 -0.06 0.02 0.00 0.00 0.00 0.00 54.91 54.96 1gob h ALA 52 Cb 0.55 -0.03 -0.05 0.00 0.00 0.00 0.00 17.79 18.25 1gob h ALA 52 CO -0.69 -0.34 -0.51 0.82 0.00 0.00 0.00 179.25 178.53 1gob h ILE 53 N 0.03 0.03 -0.52 0.00 2.04 -1.08 -0.27 117.51 117.74 1gob h ILE 53 Ca 0.03 0.00 0.11 0.00 1.00 0.00 0.00 64.86 66.00 1gob h ILE 53 Cb 0.10 0.03 -0.03 0.00 -0.74 0.00 0.00 36.82 36.18 1gob h ILE 53 CO -0.00 0.00 0.36 0.58 0.00 0.00 0.00 178.15 179.08 1gob h VAL 54 N -0.72 0.84 0.02 1.67 2.07 -1.29 -1.33 116.25 117.51 1gob h VAL 54 Ca 0.00 -0.07 -0.09 0.00 0.82 0.00 0.00 66.70 67.36 1gob h VAL 54 Cb 0.74 0.61 0.01 0.00 -1.52 0.00 0.00 31.29 31.13 1gob h VAL 54 CO -0.30 0.04 -0.35 0.00 0.02 0.00 0.00 177.57 176.98 1gob h ALA 55 N 1.74 0.02 0.00 1.67 0.00 -1.30 -3.32 119.26 118.07 1gob h ALA 55 Ca 0.25 -0.51 -0.06 0.00 0.00 0.00 0.00 54.91 54.58 1gob h ALA 55 Cb 0.68 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.49 1gob h ALA 55 CO -0.04 0.15 -0.29 -0.07 0.00 0.00 0.00 179.25 179.00 1gob h LEU 56 N -0.47 0.00 -0.02 0.00 3.38 -0.66 -2.80 115.31 114.74 1gob h LEU 56 Ca -0.05 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.92 1gob h LEU 56 Cb 1.13 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.88 1gob h LEU 56 CO 0.07 0.29 -0.00 -0.62 0.09 0.00 0.00 178.44 178.26 1gob n GLU 57 N -3.92 0.99 0.10 1.13 1.02 -0.53 -2.74 120.64 116.69 1gob n GLU 57 Ca -0.02 -0.02 0.12 0.00 -0.02 0.00 0.00 57.16 57.22 1gob n GLU 57 Cb 0.36 -1.50 0.05 0.00 -0.02 0.00 0.00 31.44 30.33 1gob n GLU 57 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1gob h ALA 58 N 3.98 0.54 -2.14 0.62 0.00 -1.59 -3.45 119.26 117.23 1gob h ALA 58 Ca 0.00 0.00 -0.57 0.00 0.00 0.00 0.00 54.91 54.34 1gob h ALA 58 Cb 0.02 0.00 -0.04 0.00 0.00 0.00 0.00 17.79 17.77 1gob h ALA 58 CO 0.00 0.00 0.90 -0.51 0.00 0.00 0.00 179.25 179.64 1gob s LEU 59 N -5.16 4.16 -0.17 0.00 1.43 -1.11 -4.95 118.68 112.89 1gob s LEU 59 Ca 0.01 1.66 0.16 0.00 -1.03 0.00 0.00 54.13 54.93 1gob s LEU 59 Cb 0.10 -3.54 0.69 0.00 0.03 0.00 0.00 46.19 43.47 1gob s LEU 59 CO 0.77 -0.78 1.61 0.29 0.23 0.00 0.00 176.35 178.47 1gob n LYS 60 N 6.64 3.95 -3.75 1.70 4.76 -1.26 -4.97 118.16 125.23 1gob n LYS 60 Ca 0.14 -2.93 -0.09 0.00 -2.87 0.00 0.00 58.31 52.55 1gob n LYS 60 Cb 0.45 -1.98 -0.04 0.00 -1.84 0.00 0.00 35.03 31.62 1gob n LYS 60 CO 0.00 0.00 0.00 -1.83 -1.37 0.00 0.00 177.40 174.20 1gob s GLU 61 N -2.36 1.40 -0.02 1.97 1.03 -1.26 -5.12 118.70 114.35 1gob s GLU 61 Ca 0.49 -0.88 -0.30 0.00 0.03 0.00 0.00 54.97 54.31 1gob s GLU 61 Cb 0.35 0.52 -0.07 0.00 -0.80 0.00 0.00 34.13 34.13 1gob s GLU 61 CO 0.17 -0.60 1.82 -1.01 -1.33 0.00 0.00 175.26 174.32 1gob s HIS 62 N -3.88 1.61 0.41 4.83 3.76 -1.26 -4.98 115.29 115.78 1gob s HIS 62 Ca 0.10 -0.12 0.04 0.00 -0.15 0.00 0.00 55.06 54.92 1gob s HIS 62 Cb -0.01 -4.09 -0.05 0.00 1.11 0.00 0.00 32.58 29.55 1gob s HIS 62 CO -0.02 -4.71 0.05 0.00 -0.85 0.00 0.00 174.74 169.20 1gob s GLU 64 N -3.80 2.26 -0.04 0.00 2.02 -1.25 0.67 118.70 118.55 1gob s GLU 64 Ca 0.26 -1.86 -0.03 0.00 0.02 0.00 0.00 54.97 53.35 1gob s GLU 64 Cb 0.06 -3.75 -0.04 0.00 0.10 0.00 0.00 34.13 30.50 1gob s GLU 64 CO 0.13 -1.13 0.15 0.08 0.02 0.00 0.00 175.26 174.51 1gob s VAL 65 N 1.13 5.33 -0.16 2.63 1.01 0.21 0.43 120.40 130.98 1gob s VAL 65 Ca 0.08 -0.11 0.00 0.00 0.00 0.00 0.00 61.98 61.96 1gob s VAL 65 Cb -0.24 -3.44 0.03 0.00 0.00 0.00 0.00 36.38 32.73 1gob s VAL 65 CO -0.03 0.41 -0.13 -0.51 0.00 0.00 0.00 175.10 174.84 1gob s ILE 66 N -1.22 1.58 -0.12 2.22 2.07 0.73 -0.78 121.20 125.68 1gob s ILE 66 Ca 0.23 -0.71 0.01 0.00 -1.41 0.00 0.00 60.65 58.77 1gob s ILE 66 Cb -0.12 -1.52 -0.01 0.00 0.13 0.00 0.00 42.46 40.93 1gob s ILE 66 CO 0.14 0.40 -0.15 -0.22 -1.91 0.00 0.00 174.94 173.20 1gob s LEU 67 N 1.47 2.62 -0.23 8.50 0.20 -0.24 -1.55 118.68 129.46 1gob s LEU 67 Ca 0.04 -0.36 0.01 0.00 0.69 0.00 0.00 54.13 54.50 1gob s LEU 67 Cb -0.13 -1.58 0.03 0.00 -0.43 0.00 0.00 46.19 44.08 1gob s LEU 67 CO -0.10 0.17 -0.12 -0.55 -0.29 0.00 0.00 176.35 175.45 1gob s SER 68 N 0.34 3.93 -0.01 3.68 0.15 -0.88 0.28 113.70 121.18 1gob s SER 68 Ca -0.12 -0.93 -0.17 0.00 0.70 0.00 0.00 55.95 55.43 1gob s SER 68 Cb -0.16 -1.57 0.03 0.00 -1.71 0.00 0.00 66.02 62.61 1gob s SER 68 CO 0.06 -0.10 0.36 0.28 1.20 0.00 0.00 173.24 175.05 1gob s THR 69 N 1.25 0.05 -1.62 6.45 -1.32 -0.87 -2.35 115.64 117.24 1gob s THR 69 Ca -0.01 -0.43 0.17 0.00 -1.21 0.00 0.00 61.69 60.21 1gob s THR 69 Cb -0.16 -0.71 0.44 0.00 -1.51 0.00 0.00 72.50 70.55 1gob s THR 69 CO -0.08 -0.24 1.36 -0.90 -2.21 0.00 0.00 174.62 172.55 1gob n ASP 70 N 1.12 3.34 -4.64 8.08 5.75 -1.26 -2.20 116.55 126.73 1gob n ASP 70 Ca -0.21 -1.96 -0.42 0.00 -0.01 0.00 0.00 54.79 52.19 1gob n ASP 70 Cb 0.57 -0.31 -0.03 0.00 -1.03 0.00 0.00 41.12 40.31 1gob n ASP 70 CO 0.00 0.00 0.00 -0.55 -0.11 0.00 0.00 177.20 176.54 1gob s SER 71 N -1.08 6.31 0.08 -1.12 0.15 -1.26 -4.70 113.70 112.08 1gob s SER 71 Ca 0.35 2.13 -0.04 0.00 0.70 0.00 0.00 55.95 59.08 1gob s SER 71 Cb 0.19 -2.53 -0.27 0.00 -1.71 0.00 0.00 66.02 61.70 1gob s SER 71 CO 0.25 -1.24 1.15 -0.61 1.20 0.00 0.00 173.24 173.99 1gob h GLN 72 N 11.16 0.28 -0.08 5.44 4.15 -1.96 -2.67 115.11 131.42 1gob h GLN 72 Ca -0.41 -0.46 0.04 0.00 0.77 0.00 0.00 58.65 58.59 1gob h GLN 72 Cb 1.20 0.17 -0.06 0.00 0.21 0.00 0.00 27.48 29.00 1gob h GLN 72 CO 0.97 1.21 -0.32 -0.92 -1.93 0.00 0.00 178.83 177.83 1gob h TYR 73 N 0.08 -0.89 -0.68 3.99 3.20 -2.00 -0.86 116.97 119.82 1gob h TYR 73 Ca -0.13 0.04 -0.06 0.00 3.14 0.00 0.00 58.73 61.71 1gob h TYR 73 Cb 1.94 0.41 -0.03 0.00 1.54 0.00 0.00 36.73 40.59 1gob h TYR 73 CO 0.06 -0.41 0.18 0.28 -1.64 0.00 0.00 178.16 176.64 1gob h VAL 74 N -0.43 1.26 -0.03 1.81 2.07 -1.94 -2.70 116.25 116.29 1gob h VAL 74 Ca 0.08 -0.92 0.03 0.00 0.82 0.00 0.00 66.70 66.71 1gob h VAL 74 Cb 0.55 0.57 -0.04 0.00 -1.52 0.00 0.00 31.29 30.85 1gob h VAL 74 CO -0.32 0.35 -0.20 -0.09 0.02 0.00 0.00 177.57 177.33 1gob h ARG 75 N 1.00 -0.29 -0.57 1.57 2.43 -1.14 0.60 114.38 117.98 1gob h ARG 75 Ca 0.21 0.02 0.04 0.00 -0.81 0.00 0.00 59.98 59.44 1gob h ARG 75 Cb 0.34 0.07 -0.04 0.00 -0.42 0.00 0.00 29.97 29.92 1gob h ARG 75 CO -0.00 -0.19 0.33 1.96 -1.51 0.00 0.00 179.97 180.56 1gob h GLN 76 N -0.30 0.63 -0.21 0.20 4.20 -1.15 0.81 115.11 119.29 1gob h GLN 76 Ca 0.07 -0.04 -0.20 0.00 0.06 0.00 0.00 58.65 58.54 1gob h GLN 76 Cb 0.39 -0.14 0.01 0.00 0.30 0.00 0.00 27.48 28.04 1gob h GLN 76 CO -0.21 0.42 -0.65 0.00 -0.67 0.00 0.00 178.83 177.72 1gob h ALA 77 N 1.27 0.36 -0.29 3.87 0.00 -1.36 0.51 119.26 123.62 1gob h ALA 77 Ca 0.24 -0.55 -0.19 0.00 0.00 0.00 0.00 54.91 54.41 1gob h ALA 77 Cb 0.07 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.82 1gob h ALA 77 CO -0.12 0.65 -0.54 0.82 0.00 0.00 0.00 179.25 180.05 1gob h ILE 78 N 0.56 1.27 0.15 0.00 1.08 -0.64 0.18 117.51 120.12 1gob h ILE 78 Ca -0.02 -1.72 -0.24 0.00 -0.39 0.00 0.00 64.86 62.48 1gob h ILE 78 Cb 1.27 1.62 0.02 0.00 -3.07 0.00 0.00 36.82 36.66 1gob h ILE 78 CO 0.14 0.56 -1.12 0.71 -0.69 0.00 0.00 178.15 177.75 1gob h THR 79 N 0.68 1.32 0.00 -0.27 1.35 0.62 -3.43 112.91 113.18 1gob h THR 79 Ca 0.02 -2.52 0.00 0.00 -0.55 0.00 0.00 66.41 63.35 1gob h THR 79 Cb 1.15 3.03 0.00 0.00 -1.73 0.00 0.00 68.15 70.60 1gob h THR 79 CO 0.12 0.73 0.00 0.00 -0.25 0.00 0.00 175.52 176.12 1gob n GLN 80 N -3.99 2.75 0.02 4.72 6.02 0.18 -4.96 117.38 122.12 1gob n GLN 80 Ca -0.18 -0.25 -0.02 0.00 -0.01 0.00 0.00 57.00 56.54 1gob n GLN 80 Cb 0.90 -0.74 -0.01 0.00 1.02 0.00 0.00 30.24 31.41 1gob n GLN 80 CO 0.00 0.00 0.00 0.91 -1.01 0.00 0.00 177.06 176.96 1gob n TRP 81 N -0.46 0.00 -0.27 1.08 8.01 -0.87 -4.81 117.44 120.12 1gob n TRP 81 Ca 0.00 0.00 0.11 0.00 -1.31 0.00 0.00 57.50 56.30 1gob n TRP 81 Cb 0.00 -0.10 0.21 0.00 -2.01 0.00 0.00 31.31 29.42 1gob n TRP 81 CO 0.00 0.00 0.00 1.51 -1.01 0.00 0.00 177.69 178.19 1gob n ILE 82 N -3.60 -0.33 -0.12 -0.99 3.06 0.57 0.22 119.36 118.17 1gob n ILE 82 Ca -0.03 1.75 -0.05 0.00 -2.50 0.00 0.00 62.75 61.92 1gob n ILE 82 Cb 0.16 -2.53 0.02 0.00 0.54 0.00 0.00 39.64 37.82 1gob n ILE 82 CO 0.00 0.00 0.00 -0.74 -2.50 0.00 0.00 176.55 173.31 1gob h HIS 83 N 0.00 -0.33 0.00 9.51 2.76 -1.87 0.04 115.15 125.26 1gob h HIS 83 Ca 0.46 0.04 -0.06 0.00 -2.20 0.00 0.00 60.37 58.61 1gob h HIS 83 Cb 0.93 0.21 -0.01 0.00 1.55 0.00 0.00 27.41 30.09 1gob h HIS 83 CO -0.43 -0.22 -0.30 -0.91 -1.30 0.00 0.00 177.93 174.77 1gob h ASN 84 N -0.05 0.00 0.03 3.26 2.35 -0.55 -3.14 115.58 117.48 1gob h ASN 84 Ca 0.20 0.00 -0.15 0.00 -0.55 0.00 0.00 56.30 55.80 1gob h ASN 84 Cb 0.36 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.72 1gob h ASN 84 CO -0.45 0.30 -0.49 -0.50 -1.65 0.00 0.00 177.43 174.64 1gob h TRP 85 N 0.00 0.64 0.43 1.19 6.55 -0.37 -2.87 115.95 121.51 1gob h TRP 85 Ca -0.00 -0.21 -0.02 0.00 0.95 0.00 0.00 58.89 59.61 1gob h TRP 85 Cb 0.58 -0.13 0.00 0.00 -0.86 0.00 0.00 29.16 28.75 1gob h TRP 85 CO 0.00 0.90 -0.21 0.87 -1.05 0.00 0.00 178.44 178.96 1gob h LYS 86 N 0.41 -0.55 -1.03 0.49 1.57 -1.26 1.03 116.57 117.23 1gob h LYS 86 Ca 0.02 0.04 0.33 0.00 -1.87 0.00 0.00 60.65 59.17 1gob h LYS 86 Cb 1.00 0.13 -0.15 0.00 0.08 0.00 0.00 32.23 33.29 1gob h LYS 86 CO 0.09 -0.37 0.60 0.87 -0.57 0.00 0.00 179.45 180.07 1gob h LYS 87 N -0.91 0.29 -0.00 3.15 1.57 -1.64 0.96 116.57 119.99 1gob h LYS 87 Ca -0.06 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.70 1gob h LYS 87 Cb 0.44 -0.07 0.00 0.00 0.08 0.00 0.00 32.23 32.68 1gob h LYS 87 CO 0.10 0.19 -0.09 0.54 -0.57 0.00 0.00 179.45 179.62 1gob n ARG 88 N -5.00 0.80 -1.78 3.15 1.74 -1.08 -4.91 116.66 109.57 1gob n ARG 88 Ca 0.32 -0.27 0.00 0.00 -0.77 0.00 0.00 57.85 57.13 1gob n ARG 88 Cb 1.03 -1.49 0.00 0.00 -1.02 0.00 0.00 32.46 30.97 1gob n ARG 88 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1gob n GLY 89 N 1.24 0.51 2.70 -0.13 0.00 0.33 -3.83 105.19 106.01 1gob n GLY 89 Ca 0.16 -0.82 -0.14 0.00 0.00 0.00 0.00 46.02 45.22 1gob n GLY 89 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 1gob n TRP 90 N -3.70 -1.61 -4.31 1.61 7.02 0.36 -5.03 117.44 111.78 1gob n TRP 90 Ca 0.00 0.54 -0.22 0.00 -1.02 0.00 0.00 57.50 56.80 1gob n TRP 90 Cb 0.44 -3.34 -0.12 0.00 -2.42 0.00 0.00 31.31 25.87 1gob n TRP 90 CO 0.00 0.00 0.00 0.15 -2.02 0.00 0.00 177.69 175.82 1gob s LYS 91 N -5.67 1.21 0.97 -0.99 1.02 -1.25 -2.99 119.74 112.05 1gob s LYS 91 Ca 0.31 -1.32 -0.15 0.00 0.02 0.00 0.00 55.97 54.83 1gob s LYS 91 Cb -0.14 -1.31 0.19 0.00 -0.52 0.00 0.00 37.83 36.05 1gob s LYS 91 CO 0.39 0.28 1.25 0.95 -0.92 0.00 0.00 175.35 177.29 1gob s THR 92 N -1.81 1.94 0.20 2.17 -4.23 0.65 -4.87 115.64 109.68 1gob s THR 92 Ca 0.12 0.00 0.36 0.00 -1.18 0.00 0.00 61.69 60.99 1gob s THR 92 Cb -0.07 -2.89 0.40 0.00 1.34 0.00 0.00 72.50 71.28 1gob s THR 92 CO 0.06 0.00 2.06 0.00 -0.54 0.00 0.00 174.62 176.19 1gob h ALA 93 N -1.68 1.00 -0.57 3.99 0.00 -2.01 -1.98 119.26 118.01 1gob h ALA 93 Ca -0.45 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.46 1gob h ALA 93 Cb 1.27 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.06 1gob h ALA 93 CO 0.45 0.00 0.00 -0.40 0.00 0.00 0.00 179.25 179.30 1gob n ASP 94 N -3.04 5.27 -1.15 0.00 3.85 -1.26 -4.91 116.55 115.31 1gob n ASP 94 Ca -0.00 -2.78 -0.15 0.00 -0.71 0.00 0.00 54.79 51.15 1gob n ASP 94 Cb 0.25 -0.64 -0.06 0.00 -1.35 0.00 0.00 41.12 39.31 1gob n ASP 94 CO 0.00 0.00 0.00 0.29 -1.01 0.00 0.00 177.20 176.48 1gob n LYS 95 N 0.68 -1.05 -3.50 0.11 4.76 -0.74 -5.02 118.16 113.40 1gob n LYS 95 Ca 0.27 1.03 -0.19 0.00 -2.87 0.00 0.00 58.31 56.54 1gob n LYS 95 Cb 1.07 -5.16 -0.01 0.00 -1.84 0.00 0.00 35.03 29.09 1gob n LYS 95 CO 0.00 0.00 0.00 0.15 -1.37 0.00 0.00 177.40 176.18 1gob s LYS 96 N -3.27 2.99 0.38 1.97 1.02 -1.26 -4.80 119.74 116.77 1gob s LYS 96 Ca 0.00 -1.11 -0.27 0.00 0.02 0.00 0.00 55.97 54.62 1gob s LYS 96 Cb 0.00 -2.73 -0.09 0.00 -0.52 0.00 0.00 37.83 34.49 1gob s LYS 96 CO 0.00 0.03 1.24 -2.14 -0.92 0.00 0.00 175.35 173.55 1gob s PRO 97 N -4.15 4.13 0.90 -1.68 0.02 -1.26 -0.25 135.00 132.70 1gob s PRO 97 Ca 0.45 2.02 -0.10 0.00 0.02 0.00 0.00 61.00 63.39 1gob s PRO 97 Cb -0.09 -2.82 0.14 0.00 0.02 0.00 0.00 34.50 31.75 1gob s PRO 97 CO 0.30 -0.31 1.14 0.14 -0.33 0.00 0.00 177.00 177.95 1gob s VAL 98 N -1.28 2.18 0.39 3.83 -7.23 -1.16 -4.76 120.40 112.37 1gob s VAL 98 Ca 0.54 0.06 -0.27 0.00 -1.81 0.00 0.00 61.98 60.51 1gob s VAL 98 Cb -0.35 -2.13 -0.09 0.00 0.56 0.00 0.00 36.38 34.36 1gob s VAL 98 CO 0.45 -0.08 1.29 -0.75 -0.31 0.00 0.00 175.10 175.70 1gob s LYS 99 N -4.66 4.08 -1.52 4.82 2.20 -1.26 -2.79 119.74 120.60 1gob s LYS 99 Ca 0.66 2.13 0.00 0.00 -0.36 0.00 0.00 55.97 58.41 1gob s LYS 99 Cb -0.22 -2.83 0.00 0.00 -1.51 0.00 0.00 37.83 33.27 1gob s LYS 99 CO 0.58 -0.39 0.00 0.09 -0.36 0.00 0.00 175.35 175.26 1gob n ASN 100 N 0.29 -4.81 0.04 1.43 3.02 -1.26 -4.85 115.26 109.13 1gob n ASN 100 Ca 0.03 0.17 0.21 0.00 -0.03 0.00 0.00 54.58 54.96 1gob n ASN 100 Cb 0.43 -4.11 0.73 0.00 -0.61 0.00 0.00 39.78 36.23 1gob n ASN 100 CO 0.00 0.00 0.00 1.62 -2.62 0.00 0.00 177.26 176.26 1gob h VAL 101 N 0.00 0.47 -0.63 2.41 3.04 -1.89 -1.18 116.25 118.47 1gob h VAL 101 Ca -0.38 0.00 -0.08 0.00 -1.01 0.00 0.00 66.70 65.23 1gob h VAL 101 Cb 1.24 0.65 -0.03 0.00 -2.01 0.00 0.00 31.29 31.15 1gob h VAL 101 CO 0.48 0.00 0.08 -2.24 -1.01 0.00 0.00 177.57 174.87 1gob h ASP 102 N 0.00 1.02 0.28 3.17 2.03 -1.88 -2.51 116.42 118.53 1gob h ASP 102 Ca 0.24 -0.25 -0.34 0.00 -0.73 0.00 0.00 57.03 55.95 1gob h ASP 102 Cb 1.15 -0.27 -0.01 0.00 -0.83 0.00 0.00 39.33 39.37 1gob h ASP 102 CO -0.00 1.03 -1.75 -0.07 -1.03 0.00 0.00 179.24 177.42 1gob h LEU 103 N 0.98 0.43 -1.52 0.15 3.38 -1.64 -2.97 115.31 114.13 1gob h LEU 103 Ca 0.19 -0.73 -0.04 0.00 0.09 0.00 0.00 57.88 57.39 1gob h LEU 103 Cb 0.46 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 41.06 1gob h LEU 103 CO 0.02 1.62 -0.17 -0.50 0.09 0.00 0.00 178.44 179.50 1gob h TRP 104 N 0.08 0.09 0.17 1.13 -0.00 -1.36 0.43 115.95 116.48 1gob h TRP 104 Ca -0.33 -0.01 -0.28 0.00 -0.00 0.00 0.00 58.89 58.27 1gob h TRP 104 Cb 2.05 -0.03 0.03 0.00 -0.00 0.00 0.00 29.16 31.21 1gob h TRP 104 CO 0.07 0.26 -1.20 1.96 -0.00 0.00 0.00 178.44 179.54 1gob h GLN 105 N 0.08 0.51 0.15 0.49 4.20 -1.59 0.54 115.11 119.50 1gob h GLN 105 Ca 0.02 -0.78 -0.01 0.00 0.06 0.00 0.00 58.65 57.94 1gob h GLN 105 Cb 0.36 0.28 0.00 0.00 0.30 0.00 0.00 27.48 28.42 1gob h GLN 105 CO 0.02 1.36 -0.07 -0.09 -0.67 0.00 0.00 178.83 179.38 1gob h ARG 106 N 0.05 -0.20 -0.73 1.46 2.43 -1.33 -0.90 114.38 115.17 1gob h ARG 106 Ca -0.20 0.01 -0.02 0.00 -0.81 0.00 0.00 59.98 58.97 1gob h ARG 106 Cb 1.91 0.05 -0.03 0.00 -0.42 0.00 0.00 29.97 31.48 1gob h ARG 106 CO 0.23 -0.03 0.38 1.25 -1.51 0.00 0.00 179.97 180.29 1gob h LEU 107 N -0.33 0.92 -1.68 3.80 5.85 -0.22 -2.31 115.31 121.33 1gob h LEU 107 Ca -0.02 -0.08 -0.03 0.00 0.84 0.00 0.00 57.88 58.58 1gob h LEU 107 Cb 0.26 -0.23 -0.00 0.00 0.37 0.00 0.00 40.66 41.05 1gob h LEU 107 CO 0.03 0.75 -0.16 -0.78 -0.34 0.00 0.00 178.44 177.95 1gob h ASP 108 N 1.02 0.00 -0.19 1.25 1.82 -0.42 -0.22 116.42 119.69 1gob h ASP 108 Ca 0.26 -0.00 -0.14 0.00 -0.39 0.00 0.00 57.03 56.76 1gob h ASP 108 Cb 0.06 -0.00 0.00 0.00 0.68 0.00 0.00 39.33 40.07 1gob h ASP 108 CO -0.04 0.16 -0.41 0.00 -1.61 0.00 0.00 179.24 177.34 1gob h ALA 109 N 1.84 0.30 -0.30 -0.78 0.00 -0.62 -2.93 119.26 116.76 1gob h ALA 109 Ca -0.00 -0.46 -0.15 0.00 0.00 0.00 0.00 54.91 54.29 1gob h ALA 109 Cb 0.28 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.02 1gob h ALA 109 CO 0.02 0.41 -0.43 0.00 0.00 0.00 0.00 179.25 179.25 1gob h ALA 110 N 0.58 0.67 0.00 0.00 0.00 -1.12 -2.90 119.26 116.49 1gob h ALA 110 Ca 0.00 -0.47 -0.05 0.00 0.00 0.00 0.00 54.91 54.39 1gob h ALA 110 Cb 1.02 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.70 1gob h ALA 110 CO 0.09 0.67 -0.24 -0.07 0.00 0.00 0.00 179.25 179.70 1gob h LEU 111 N 0.61 0.00 -1.63 0.00 3.38 -1.11 -3.11 115.31 113.45 1gob h LEU 111 Ca 0.04 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.99 1gob h LEU 111 Cb 0.99 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.73 1gob h LEU 111 CO 0.09 0.24 -0.02 1.23 0.09 0.00 0.00 178.44 180.08 1gob h GLY 112 N 0.91 0.22 0.22 0.83 0.00 -1.31 -2.94 103.07 101.00 1gob h GLY 112 Ca -0.00 -0.11 0.00 0.00 0.00 0.00 0.00 47.33 47.22 1gob h GLY 112 CO 0.03 0.10 0.00 -1.06 0.00 0.00 0.00 176.54 175.62 1gob n GLN 113 N -4.39 1.34 -4.27 4.80 1.13 -1.18 -4.96 117.38 109.85 1gob n GLN 113 Ca -0.01 -0.50 -0.15 0.00 -1.94 0.00 0.00 57.00 54.41 1gob n GLN 113 Cb 0.18 -1.48 -0.10 0.00 0.11 0.00 0.00 30.24 28.95 1gob n GLN 113 CO 0.00 0.00 0.00 -1.01 -1.44 0.00 0.00 177.06 174.61 1gob s HIS 114 N -1.99 1.32 -0.46 1.08 3.76 -1.11 -4.16 115.29 113.73 1gob s HIS 114 Ca 0.42 -1.02 -0.19 0.00 -0.15 0.00 0.00 55.06 54.12 1gob s HIS 114 Cb 0.21 -0.76 0.04 0.00 1.11 0.00 0.00 32.58 33.18 1gob s HIS 114 CO 0.34 -0.19 0.56 -0.65 -0.85 0.00 0.00 174.74 173.95 1gob s GLN 115 N -3.92 3.15 -0.23 1.40 -0.21 0.21 -4.98 119.66 115.08 1gob s GLN 115 Ca 0.27 -0.72 -0.06 0.00 0.02 0.00 0.00 55.36 54.87 1gob s GLN 115 Cb 0.06 -4.01 -0.02 0.00 1.00 0.00 0.00 33.01 30.03 1gob s GLN 115 CO 0.06 -1.03 0.02 0.42 -2.12 0.00 0.00 175.29 172.64 1gob s ILE 116 N 2.48 3.97 -0.17 1.08 -1.09 -1.26 0.65 121.20 126.86 1gob s ILE 116 Ca 0.16 -0.29 0.00 0.00 -2.23 0.00 0.00 60.65 58.29 1gob s ILE 116 Cb -0.17 -2.83 0.01 0.00 -1.58 0.00 0.00 42.46 37.89 1gob s ILE 116 CO 0.14 0.38 -0.17 -0.75 -1.23 0.00 0.00 174.94 173.31 1gob s LYS 117 N 1.45 3.11 -0.06 2.79 2.20 0.04 -4.99 119.74 124.28 1gob s LYS 117 Ca 0.05 -0.79 -0.15 0.00 -0.36 0.00 0.00 55.97 54.72 1gob s LYS 117 Cb -0.15 -2.61 -0.05 0.00 -1.51 0.00 0.00 37.83 33.51 1gob s LYS 117 CO 0.01 -0.11 0.40 -1.58 -0.36 0.00 0.00 175.35 173.71 1gob s TRP 118 N 1.09 3.62 -0.26 4.03 0.52 -1.26 -1.07 118.94 125.61 1gob s TRP 118 Ca -0.00 0.88 0.02 0.00 0.02 0.00 0.00 56.10 57.02 1gob s TRP 118 Cb -0.14 -2.36 0.07 0.00 -1.15 0.00 0.00 33.47 29.89 1gob s TRP 118 CO -0.06 0.45 -0.05 -2.00 0.02 0.00 0.00 176.95 175.31 1gob s GLU 119 N -0.36 1.77 -0.86 4.98 2.12 0.79 -4.90 118.70 122.24 1gob s GLU 119 Ca 0.23 -1.22 -0.19 0.00 0.36 0.00 0.00 54.97 54.15 1gob s GLU 119 Cb -0.15 -2.74 0.13 0.00 0.26 0.00 0.00 34.13 31.63 1gob s GLU 119 CO 0.11 -0.65 1.03 -1.58 -0.54 0.00 0.00 175.26 173.63 1gob s TRP 120 N 1.25 3.13 0.58 5.30 0.23 -1.26 -2.04 118.94 126.12 1gob s TRP 120 Ca -0.04 -1.32 -0.04 0.00 -2.03 0.00 0.00 56.10 52.67 1gob s TRP 120 Cb -0.19 -4.21 0.02 0.00 0.03 0.00 0.00 33.47 29.12 1gob s TRP 120 CO -0.07 -1.44 0.87 0.14 0.96 0.00 0.00 176.95 177.41 1gob s VAL 121 N 2.58 3.36 -0.20 4.03 -7.23 -0.94 -5.00 120.40 117.00 1gob s VAL 121 Ca 0.28 -0.20 -0.10 0.00 -1.81 0.00 0.00 61.98 60.15 1gob s VAL 121 Cb -0.08 -3.33 -0.05 0.00 0.56 0.00 0.00 36.38 33.48 1gob s VAL 121 CO -0.06 -0.31 0.13 -0.54 -0.31 0.00 0.00 175.10 174.01 1gob s LYS 122 N -4.94 4.17 0.45 4.82 1.02 -1.26 -4.11 119.74 119.90 1gob s LYS 122 Ca 0.54 -0.23 0.24 0.00 0.02 0.00 0.00 55.97 56.55 1gob s LYS 122 Cb -0.10 -3.41 0.82 0.00 -0.52 0.00 0.00 37.83 34.62 1gob s LYS 122 CO 0.43 0.29 1.02 0.41 -0.92 0.00 0.00 175.35 176.58 1gob n GLY 123 N 3.54 -0.61 0.31 -3.33 0.00 -1.26 0.12 105.19 103.96 1gob n GLY 123 Ca -0.16 0.33 0.03 0.00 0.00 0.00 0.00 46.02 46.22 1gob n GLY 123 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 173.32 170.93 1gob n HIS 124 N -2.91 0.13 -2.79 1.61 1.44 -1.26 -4.72 115.22 106.71 1gob n HIS 124 Ca 0.21 -0.24 -0.11 0.00 -2.01 0.00 0.00 57.72 55.57 1gob n HIS 124 Cb 1.24 -0.02 0.04 0.00 0.12 0.00 0.00 29.99 31.37 1gob n HIS 124 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 1gob n ALA 125 N 0.23 2.43 -3.29 1.59 0.00 0.32 -5.11 120.51 116.68 1gob n ALA 125 Ca 0.05 -2.77 0.00 0.00 0.00 0.00 0.00 53.44 50.72 1gob n ALA 125 Cb 0.25 -0.96 0.00 0.00 0.00 0.00 0.00 19.45 18.74 1gob n ALA 125 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1gob n GLY 126 N -0.04 4.88 3.94 0.00 0.00 -1.18 -4.30 105.19 108.49 1gob n GLY 126 Ca 0.10 -2.12 -0.24 0.00 0.00 0.00 0.00 46.02 43.76 1gob n GLY 126 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1gob s HIS 127 N 0.31 3.04 -0.65 1.61 3.76 -1.26 -4.94 115.29 117.16 1gob s HIS 127 Ca 0.00 0.36 0.20 0.00 -0.15 0.00 0.00 55.06 55.47 1gob s HIS 127 Cb 0.00 -2.83 0.85 0.00 1.11 0.00 0.00 32.58 31.71 1gob s HIS 127 CO 0.00 -0.96 1.61 -0.35 -0.85 0.00 0.00 174.74 174.19 1gob n PRO 128 N -2.56 0.12 0.21 8.40 -0.04 -1.26 -1.86 135.00 138.01 1gob n PRO 128 Ca 0.06 0.38 0.12 0.00 -0.04 0.00 0.00 63.50 64.02 1gob n PRO 128 Cb 0.59 -1.75 0.17 0.00 -0.04 0.00 0.00 33.50 32.48 1gob n PRO 128 CO 0.00 0.00 0.00 0.93 -0.04 0.00 0.00 175.50 176.39 1gob h GLU 129 N 0.00 0.00 0.11 0.54 3.07 -1.99 -1.03 114.58 115.28 1gob h GLU 129 Ca 0.00 0.00 -0.28 0.00 -0.50 0.00 0.00 59.36 58.58 1gob h GLU 129 Cb 0.30 0.00 -0.00 0.00 -0.84 0.00 0.00 28.75 28.21 1gob h GLU 129 CO 0.00 0.00 -1.31 -0.91 -1.40 0.00 0.00 179.01 175.39 1gob h ASN 130 N 0.00 0.36 -0.15 1.42 4.21 -1.75 -2.94 115.58 116.72 1gob h ASN 130 Ca 0.00 -0.42 -0.15 0.00 1.21 0.00 0.00 56.30 56.94 1gob h ASN 130 Cb 0.99 -0.12 0.00 0.00 -1.12 0.00 0.00 38.32 38.08 1gob h ASN 130 CO 0.00 1.33 -0.49 -0.33 -1.29 0.00 0.00 177.43 176.66 1gob h GLU 131 N 0.06 0.59 0.00 0.81 5.08 -1.48 -1.81 114.58 117.84 1gob h GLU 131 Ca -0.16 -0.44 -0.04 0.00 -1.00 0.00 0.00 59.36 57.72 1gob h GLU 131 Cb 1.97 0.08 -0.01 0.00 0.50 0.00 0.00 28.75 31.29 1gob h GLU 131 CO 0.18 1.06 -0.21 -0.09 -1.00 0.00 0.00 179.01 178.95 1gob h ARG 132 N 0.24 0.00 0.65 2.33 2.43 -1.27 -1.96 114.38 116.80 1gob h ARG 132 Ca -0.02 0.00 -0.03 0.00 -0.81 0.00 0.00 59.98 59.12 1gob h ARG 132 Cb 1.11 0.00 0.01 0.00 -0.42 0.00 0.00 29.97 30.67 1gob h ARG 132 CO 0.10 0.21 -0.31 0.00 -1.51 0.00 0.00 179.97 178.46 1gob h ASP 134 N -1.10 0.25 -0.85 0.00 3.58 -1.23 -0.22 116.42 116.85 1gob h ASP 134 Ca -0.09 0.09 0.09 0.00 0.42 0.00 0.00 57.03 57.54 1gob h ASP 134 Cb 0.71 0.07 -0.07 0.00 1.72 0.00 0.00 39.33 41.76 1gob h ASP 134 CO 0.15 0.12 0.50 -0.33 -2.88 0.00 0.00 179.24 176.80 1gob h GLU 135 N 0.43 0.83 0.04 0.28 5.08 -1.31 0.08 114.58 120.01 1gob h GLU 135 Ca 0.36 -0.05 -0.26 0.00 -1.00 0.00 0.00 59.36 58.41 1gob h GLU 135 Cb 0.50 -0.19 0.01 0.00 0.50 0.00 0.00 28.75 29.58 1gob h GLU 135 CO -0.36 0.55 -1.08 -0.07 -1.00 0.00 0.00 179.01 177.06 1gob h LEU 136 N 0.86 0.72 -0.46 1.33 3.38 -0.63 -2.61 115.31 117.90 1gob h LEU 136 Ca 0.40 -0.62 0.07 0.00 0.09 0.00 0.00 57.88 57.83 1gob h LEU 136 Cb 0.32 -0.22 -0.06 0.00 0.09 0.00 0.00 40.66 40.78 1gob h LEU 136 CO -0.23 1.42 0.09 0.00 0.09 0.00 0.00 178.44 179.82 1gob h ALA 137 N 0.52 0.51 0.85 1.53 0.00 -0.54 0.09 119.26 122.21 1gob h ALA 137 Ca -0.13 0.09 -0.04 0.00 0.00 0.00 0.00 54.91 54.83 1gob h ALA 137 Cb 1.73 0.12 0.01 0.00 0.00 0.00 0.00 17.79 19.66 1gob h ALA 137 CO 0.20 -0.31 -0.41 0.00 0.00 0.00 0.00 179.25 178.73 1gob h ARG 138 N 0.23 -1.10 -0.85 0.00 3.08 -1.04 -2.56 114.38 112.14 1gob h ARG 138 Ca 0.23 0.08 0.16 0.00 0.07 0.00 0.00 59.98 60.51 1gob h ARG 138 Cb 0.29 0.25 -0.10 0.00 0.08 0.00 0.00 29.97 30.49 1gob h ARG 138 CO -0.29 -0.73 0.42 0.00 -1.07 0.00 0.00 179.97 178.29 1gob h ALA 139 N -1.24 1.30 0.12 0.04 0.00 -1.37 -2.04 119.26 116.07 1gob h ALA 139 Ca -0.12 0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1gob h ALA 139 Cb 0.88 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.70 1gob h ALA 139 CO 0.19 -0.16 -0.09 0.00 0.00 0.00 0.00 179.25 179.19 1gob h ALA 140 N 1.60 -0.20 -0.61 0.00 0.00 -0.93 -2.20 119.26 116.91 1gob h ALA 140 Ca 0.48 -0.03 0.18 0.00 0.00 0.00 0.00 54.91 55.54 1gob h ALA 140 Cb 0.75 0.13 -0.03 0.00 0.00 0.00 0.00 17.79 18.64 1gob h ALA 140 CO -0.41 -0.62 0.44 0.00 0.00 0.00 0.00 179.25 178.66 1gob h ALA 141 N 0.65 2.57 0.00 0.00 0.00 -0.95 0.70 119.26 122.22 1gob h ALA 141 Ca -0.00 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.89 1gob h ALA 141 Cb 0.20 0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.03 1gob h ALA 141 CO -0.01 -0.74 0.00 -1.33 0.00 0.00 0.00 179.25 177.17 1gob n MET 142 N -4.36 0.91 -2.70 0.00 2.81 -0.83 -4.25 117.12 108.71 1gob n MET 142 Ca 0.12 0.00 -0.06 0.00 -1.81 0.00 0.00 57.70 55.95 1gob n MET 142 Cb 0.68 -1.01 0.07 0.00 -0.71 0.00 0.00 33.22 32.25 1gob n MET 142 CO 0.00 0.00 0.00 -1.71 1.51 0.00 0.00 175.97 175.77 1gob n ASN 143 N -0.49 -1.94 -4.73 7.83 4.05 0.24 -5.09 115.26 115.12 1gob n ASN 143 Ca 0.00 -2.42 -0.42 0.00 0.45 0.00 0.00 54.58 52.20 1gob n ASN 143 Cb 0.00 1.19 -0.03 0.00 1.23 0.00 0.00 39.78 42.17 1gob n ASN 143 CO 0.00 0.00 0.00 -2.16 -3.05 0.00 0.00 177.26 172.05 1gob s PRO 144 N 0.34 4.23 0.00 1.20 0.04 -1.23 -4.69 135.00 134.90 1gob s PRO 144 Ca 0.28 2.35 0.00 0.00 0.04 0.00 0.00 61.00 63.68 1gob s PRO 144 Cb 0.22 -3.13 0.00 0.00 0.04 0.00 0.00 34.50 31.63 1gob s PRO 144 CO -0.15 -0.53 0.01 0.25 0.04 0.00 0.00 177.00 176.62 1gob n THR 145 N 3.17 0.00 -4.62 1.26 -2.24 -0.87 -4.81 114.28 106.16 1gob n THR 145 Ca 0.11 -0.42 -0.29 0.00 -2.27 0.00 0.00 64.05 61.18 1gob n THR 145 Cb 0.39 1.00 -0.10 0.00 -2.10 0.00 0.00 70.33 69.52 1gob n THR 145 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 1gob s LEU 146 N -1.65 2.80 -0.10 3.22 1.43 -0.97 -5.02 118.68 118.38 1gob s LEU 146 Ca 0.00 -1.40 0.04 0.00 -1.03 0.00 0.00 54.13 51.73 1gob s LEU 146 Cb 0.00 -0.89 0.00 0.00 0.03 0.00 0.00 46.19 45.33 1gob s LEU 146 CO 0.00 -0.52 -0.23 -0.70 0.23 0.00 0.00 176.35 175.14 1gob s GLU 147 N -3.74 2.92 -0.63 1.70 2.12 -1.26 -1.80 118.70 118.00 1gob s GLU 147 Ca 0.31 -0.83 -0.23 0.00 0.36 0.00 0.00 54.97 54.58 1gob s GLU 147 Cb 0.09 -2.24 0.06 0.00 0.26 0.00 0.00 34.13 32.30 1gob s GLU 147 CO 0.16 0.13 0.95 0.34 -0.54 0.00 0.00 175.26 176.30 1gob s ASP 148 N 0.46 6.20 0.00 -1.70 3.68 -1.26 -4.94 116.67 119.11 1gob s ASP 148 Ca -0.16 -0.86 0.00 0.00 2.13 0.00 0.00 52.55 53.65 1gob s ASP 148 Cb -0.17 -2.42 0.00 0.00 -1.45 0.00 0.00 42.92 38.88 1gob s ASP 148 CO 0.07 -1.39 0.59 0.41 0.13 0.00 0.00 175.17 174.98 1gob n THR 149 N 5.97 0.00 0.00 1.71 -1.04 -1.26 -3.27 114.28 116.39 1gob n THR 149 Ca -0.03 1.09 0.00 0.00 -2.04 0.00 0.00 64.05 63.08 1gob n THR 149 Cb 0.46 -2.02 0.00 0.00 -1.82 0.00 0.00 70.33 66.95 1gob n THR 149 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1gob n GLY 150 N -0.65 0.00 3.74 3.41 0.00 -1.26 -4.66 105.19 105.77 1gob n GLY 150 Ca 0.00 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.61 1gob n GLY 150 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1gob s TYR 151 N -0.92 3.69 -0.17 1.61 6.14 -1.20 -4.93 117.35 121.56 1gob s TYR 151 Ca 0.00 1.69 -0.08 0.00 0.64 0.00 0.00 57.07 59.32 1gob s TYR 151 Cb 0.00 -3.19 0.07 0.00 0.42 0.00 0.00 41.96 39.26 1gob s TYR 151 CO 0.00 -0.29 0.39 -0.65 0.64 0.00 0.00 175.55 175.64 1gob s GLN 152 N -0.52 0.34 0.56 4.97 -0.21 -1.26 -4.98 119.66 118.55 1gob s GLN 152 Ca 0.47 0.85 0.25 0.00 0.02 0.00 0.00 55.36 56.95 1gob s GLN 152 Cb -0.28 0.08 1.49 0.00 1.00 0.00 0.00 33.01 35.30 1gob s GLN 152 CO 0.34 -0.20 2.06 0.28 -2.12 0.00 0.00 175.29 175.65 1gob h VAL 153 N 5.83 0.64 -0.04 1.09 2.07 -2.00 -3.40 116.25 120.43 1gob h VAL 153 Ca -0.29 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.23 1gob h VAL 153 Cb 1.15 0.81 0.00 0.00 -1.52 0.00 0.00 31.29 31.73 1gob h VAL 153 CO 0.23 0.00 0.00 -0.62 0.02 0.00 0.00 177.57 177.20 1gob n GLU 154 N -4.12 2.11 0.00 1.57 4.71 -1.26 -5.20 120.64 118.44 1gob n GLU 154 Ca 0.04 0.00 0.00 0.00 -0.01 0.00 0.00 57.16 57.19 1gob n GLU 154 Cb 0.41 0.00 0.00 0.00 -1.01 0.00 0.00 31.44 30.84 1gob n GLU 154 CO 0.00 0.00 0.00 0.28 0.09 0.00 0.00 177.13 177.50