#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1goa n LEU 2 N 0.00 0.00 0.02 4.03 -0.00 -1.26 -5.07 117.00 114.72 1goa n LEU 2 Ca 0.00 0.09 0.00 0.00 -0.00 0.00 0.00 56.01 56.10 1goa n LEU 2 Cb 0.00 -0.81 0.00 0.00 -0.00 0.00 0.00 43.42 42.61 1goa n LEU 2 CO 0.00 0.00 0.00 0.29 -0.00 0.00 0.00 177.39 177.68 1goa n LYS 3 N -0.41 0.00 0.00 1.47 4.01 -1.26 -5.14 118.16 116.83 1goa n LYS 3 Ca 0.00 0.00 0.00 0.00 -0.51 0.00 0.00 58.31 57.80 1goa n LYS 3 Cb 0.00 -0.03 0.00 0.00 -0.51 0.00 0.00 35.03 34.49 1goa n LYS 3 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 1goa n GLN 4 N -2.67 0.00 -3.64 1.97 0.00 -1.26 -4.67 117.38 107.12 1goa n GLN 4 Ca 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 57.00 56.93 1goa n GLN 4 Cb 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 30.24 30.17 1goa n GLN 4 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.06 177.20 1goa s VAL 5 N 3.96 0.00 -0.14 -0.39 -7.23 -1.12 -4.75 120.40 110.73 1goa s VAL 5 Ca 0.00 0.00 -0.04 0.00 -1.81 0.00 0.00 61.98 60.13 1goa s VAL 5 Cb 0.00 -1.00 -0.03 0.00 0.56 0.00 0.00 36.38 35.91 1goa s VAL 5 CO 0.00 0.00 -0.00 -1.61 -0.31 0.00 0.00 175.10 173.18 1goa s GLU 6 N 1.47 3.57 -0.06 4.82 2.02 -1.19 -2.12 118.70 127.21 1goa s GLU 6 Ca -0.09 -0.44 0.06 0.00 0.02 0.00 0.00 54.97 54.51 1goa s GLU 6 Cb -0.05 -2.96 -0.01 0.00 0.10 0.00 0.00 34.13 31.21 1goa s GLU 6 CO -0.17 0.37 -0.24 0.42 0.02 0.00 0.00 175.26 175.66 1goa s ILE 7 N 0.04 1.97 -0.07 -1.63 1.01 -0.00 -1.27 121.20 121.24 1goa s ILE 7 Ca 0.02 -1.01 0.04 0.00 0.00 0.00 0.00 60.65 59.69 1goa s ILE 7 Cb -0.13 -1.67 0.00 0.00 0.01 0.00 0.00 42.46 40.67 1goa s ILE 7 CO 0.02 0.55 -0.18 -0.36 0.00 0.00 0.00 174.94 174.97 1goa s PHE 8 N -0.09 1.90 0.04 3.97 0.08 0.44 -0.09 117.98 124.22 1goa s PHE 8 Ca -0.05 -0.67 -0.00 0.00 0.12 0.00 0.00 56.93 56.33 1goa s PHE 8 Cb -0.14 -1.30 -0.03 0.00 -0.57 0.00 0.00 43.02 40.98 1goa s PHE 8 CO 0.04 -0.28 -0.04 0.95 -0.10 0.00 0.00 175.22 175.80 1goa s THR 9 N 0.33 0.23 -0.00 0.64 -4.23 -1.06 -0.98 115.64 110.56 1goa s THR 9 Ca -0.12 -1.34 -0.28 0.00 -1.18 0.00 0.00 61.69 58.78 1goa s THR 9 Cb -0.15 -0.87 0.07 0.00 1.34 0.00 0.00 72.50 72.89 1goa s THR 9 CO 0.05 -0.71 0.63 -0.62 -0.54 0.00 0.00 174.62 173.43 1goa s ASP 10 N -2.14 -0.59 -0.11 3.99 3.68 -0.84 -4.34 116.67 116.33 1goa s ASP 10 Ca -0.05 0.50 -0.16 0.00 2.13 0.00 0.00 52.55 54.97 1goa s ASP 10 Cb -0.02 0.53 0.04 0.00 -1.45 0.00 0.00 42.92 42.02 1goa s ASP 10 CO -0.05 -0.68 0.41 -0.83 0.13 0.00 0.00 175.17 174.16 1goa s GLY 11 N -1.56 -0.29 0.19 2.66 0.00 -1.26 -0.11 107.32 106.95 1goa s GLY 11 Ca -0.08 0.94 -0.19 0.00 0.00 0.00 0.00 44.72 45.39 1goa s GLY 11 CO 0.04 0.75 0.54 -1.35 0.00 0.00 0.00 173.10 173.08 1goa s SER 12 N -0.36 -0.31 0.02 1.64 1.04 -0.21 -4.30 113.70 111.21 1goa s SER 12 Ca -0.05 -0.38 0.05 0.00 0.48 0.00 0.00 55.95 56.05 1goa s SER 12 Cb -0.03 0.58 -0.02 0.00 0.10 0.00 0.00 66.02 66.65 1goa s SER 12 CO 0.02 -1.03 -0.15 0.00 0.98 0.00 0.00 173.24 173.06 1goa n LEU 14 N 2.30 5.57 0.00 0.00 4.32 0.04 -4.70 117.00 124.53 1goa n LEU 14 Ca -0.16 -4.85 0.00 0.00 -0.02 0.00 0.00 56.01 50.98 1goa n LEU 14 Cb 0.55 -1.51 0.00 0.00 -1.62 0.00 0.00 43.42 40.84 1goa n LEU 14 CO 0.24 1.19 0.00 0.61 -1.22 0.00 0.00 177.39 178.20 1goa n GLY 15 N 3.00 1.82 2.83 -0.72 0.00 -1.26 -4.15 105.19 106.71 1goa n GLY 15 Ca 0.29 -1.49 -0.29 0.00 0.00 0.00 0.00 46.02 44.53 1goa n GLY 15 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1goa s ASN 16 N -0.05 3.47 0.39 1.61 2.47 -1.26 -1.75 114.94 119.82 1goa s ASN 16 Ca 0.00 -1.09 -0.24 0.00 0.42 0.00 0.00 52.86 51.95 1goa s ASN 16 Cb 0.00 -0.90 -0.09 0.00 -1.45 0.00 0.00 41.25 38.81 1goa s ASN 16 CO 0.00 -0.29 1.05 -2.16 -3.72 0.00 0.00 177.10 171.98 1goa s PRO 17 N 1.61 4.19 -0.01 0.43 0.05 -1.26 -5.04 135.00 134.97 1goa s PRO 17 Ca -0.02 1.51 -0.10 0.00 0.05 0.00 0.00 61.00 62.44 1goa s PRO 17 Cb -0.18 -2.57 0.03 0.00 0.05 0.00 0.00 34.50 31.84 1goa s PRO 17 CO -0.09 -0.12 0.45 0.41 0.05 0.00 0.00 177.00 177.70 1goa n GLY 18 N 0.36 0.44 3.77 0.56 0.00 -0.72 -4.96 105.19 104.65 1goa n GLY 18 Ca 0.05 -0.90 -0.40 0.00 0.00 0.00 0.00 46.02 44.77 1goa n GLY 18 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1goa s PRO 19 N -2.00 4.11 0.21 1.61 0.04 -1.22 -1.86 135.00 135.88 1goa s PRO 19 Ca 0.11 2.30 -0.00 0.00 0.04 0.00 0.00 61.00 63.44 1goa s PRO 19 Cb -0.00 -2.91 -0.04 0.00 0.04 0.00 0.00 34.50 31.59 1goa s PRO 19 CO -0.00 -0.42 0.11 0.20 0.04 0.00 0.00 177.00 176.93 1goa s GLY 20 N -0.49 1.46 0.29 0.56 0.00 -0.42 -0.78 107.32 107.93 1goa s GLY 20 Ca 0.53 -1.71 -0.11 0.00 0.00 0.00 0.00 44.72 43.43 1goa s GLY 20 CO 0.54 -1.44 0.53 -0.32 0.00 0.00 0.00 173.10 172.41 1goa s GLY 21 N -3.18 0.70 0.17 0.20 0.00 0.15 -0.07 107.32 105.28 1goa s GLY 21 Ca 0.37 -0.98 0.00 0.00 0.00 0.00 0.00 44.72 44.11 1goa s GLY 21 CO 0.11 -0.64 0.05 -2.52 0.00 0.00 0.00 173.10 170.10 1goa s TYR 22 N -3.57 1.11 -0.10 1.90 -0.85 -0.70 -1.04 117.35 114.10 1goa s TYR 22 Ca 0.23 -1.17 -0.05 0.00 -0.52 0.00 0.00 57.07 55.55 1goa s TYR 22 Cb -0.01 -0.62 0.04 0.00 0.38 0.00 0.00 41.96 41.75 1goa s TYR 22 CO 0.12 -0.41 0.23 0.20 -1.52 0.00 0.00 175.55 174.17 1goa s GLY 23 N -3.14 -0.13 0.01 5.49 0.00 0.85 -3.45 107.32 106.95 1goa s GLY 23 Ca 0.28 0.92 0.01 0.00 0.00 0.00 0.00 44.72 45.93 1goa s GLY 23 CO 0.05 1.16 -0.03 0.00 0.00 0.00 0.00 173.10 174.28 1goa s ALA 24 N 1.15 0.19 -0.07 3.20 0.00 -0.76 -1.98 121.76 123.49 1goa s ALA 24 Ca -0.08 -0.35 0.05 0.00 0.00 0.00 0.00 51.96 51.57 1goa s ALA 24 Cb -0.10 0.04 -0.00 0.00 0.00 0.00 0.00 23.12 23.06 1goa s ALA 24 CO -0.07 -0.04 -0.22 0.42 0.00 0.00 0.00 175.76 175.84 1goa s ILE 25 N -0.72 1.88 -0.08 0.00 1.09 -0.15 -1.45 121.20 121.76 1goa s ILE 25 Ca -0.07 -0.94 0.02 0.00 -1.10 0.00 0.00 60.65 58.57 1goa s ILE 25 Cb -0.05 -1.61 0.01 0.00 -1.06 0.00 0.00 42.46 39.75 1goa s ILE 25 CO -0.00 0.52 -0.15 -0.22 -0.10 0.00 0.00 174.94 174.99 1goa s LEU 26 N 0.14 1.73 -0.37 2.97 0.20 -0.40 -0.42 118.68 122.53 1goa s LEU 26 Ca -0.11 -0.38 0.02 0.00 0.69 0.00 0.00 54.13 54.35 1goa s LEU 26 Cb -0.15 -1.00 0.11 0.00 -0.43 0.00 0.00 46.19 44.71 1goa s LEU 26 CO 0.06 0.05 0.11 -0.13 -0.29 0.00 0.00 176.35 176.14 1goa s ARG 27 N 0.71 1.66 0.00 1.98 0.52 -0.40 -0.23 118.95 123.19 1goa s ARG 27 Ca -0.13 -1.91 0.00 0.00 -0.52 0.00 0.00 55.73 53.17 1goa s ARG 27 Cb -0.16 -3.32 0.00 0.00 0.52 0.00 0.00 34.95 31.99 1goa s ARG 27 CO 0.03 -0.99 0.00 0.66 0.02 0.00 0.00 175.30 175.02 1goa n TYR 28 N 4.28 0.00 -2.21 -0.53 4.02 0.80 -3.15 117.16 120.37 1goa n TYR 28 Ca 0.02 0.00 -0.40 0.00 -0.01 0.00 0.00 57.90 57.51 1goa n TYR 28 Cb 0.41 0.00 -0.03 0.00 -0.02 0.00 0.00 39.34 39.70 1goa n TYR 28 CO 0.00 0.00 0.00 1.03 -1.01 0.00 0.00 176.86 176.88 1goa s ARG 29 N 0.14 2.94 -0.43 -0.72 1.81 -1.26 -3.67 118.95 117.76 1goa s ARG 29 Ca 0.00 0.48 0.00 0.00 -1.72 0.00 0.00 55.73 54.49 1goa s ARG 29 Cb 0.00 -4.27 0.00 0.00 -0.45 0.00 0.00 34.95 30.23 1goa s ARG 29 CO 0.00 -2.37 0.00 0.41 -0.68 0.00 0.00 175.30 172.66 1goa n GLY 30 N 5.52 0.39 3.37 -3.53 0.00 -1.26 -4.88 105.19 104.79 1goa n GLY 30 Ca 0.16 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.97 1goa n GLY 30 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1goa s ARG 31 N -1.72 1.38 -0.02 1.61 1.70 -1.24 -5.14 118.95 115.52 1goa s ARG 31 Ca 0.00 -1.58 0.00 0.00 -0.47 0.00 0.00 55.73 53.68 1goa s ARG 31 Cb 0.00 -1.30 0.03 0.00 -0.57 0.00 0.00 34.95 33.11 1goa s ARG 31 CO 0.00 0.23 0.03 -2.00 -1.08 0.00 0.00 175.30 172.48 1goa s GLU 32 N -3.40 -0.01 -0.06 3.89 2.12 -1.26 -0.14 118.70 119.84 1goa s GLU 32 Ca 0.22 0.18 0.04 0.00 0.36 0.00 0.00 54.97 55.77 1goa s GLU 32 Cb -0.03 -0.27 -0.02 0.00 0.26 0.00 0.00 34.13 34.07 1goa s GLU 32 CO 0.08 -0.16 -0.16 0.15 -0.54 0.00 0.00 175.26 174.62 1goa s LYS 33 N 1.06 2.57 0.20 4.30 -0.14 0.68 -4.97 119.74 123.44 1goa s LYS 33 Ca -0.09 -0.74 0.08 0.00 -1.36 0.00 0.00 55.97 53.87 1goa s LYS 33 Cb -0.13 -2.35 -0.04 0.00 -1.68 0.00 0.00 37.83 33.63 1goa s LYS 33 CO -0.03 0.54 -0.04 0.95 -0.76 0.00 0.00 175.35 176.02 1goa s THR 34 N -0.53 3.44 0.04 2.17 -4.23 -1.26 -1.27 115.64 113.99 1goa s THR 34 Ca 0.07 -1.64 0.02 0.00 -1.18 0.00 0.00 61.69 58.96 1goa s THR 34 Cb -0.11 -2.74 -0.02 0.00 1.34 0.00 0.00 72.50 70.96 1goa s THR 34 CO 0.01 -0.17 -0.07 -0.36 -0.54 0.00 0.00 174.62 173.49 1goa s PHE 35 N -1.86 0.61 -0.25 3.99 0.08 -0.53 -4.98 117.98 115.04 1goa s PHE 35 Ca 0.27 -0.54 -0.27 0.00 0.12 0.00 0.00 56.93 56.51 1goa s PHE 35 Cb -0.08 -0.37 0.15 0.00 -0.57 0.00 0.00 43.02 42.15 1goa s PHE 35 CO 0.17 -0.11 1.18 -1.12 -0.10 0.00 0.00 175.22 175.24 1goa s SER 36 N -1.66 -0.26 -0.14 1.36 0.01 -1.26 -1.83 113.70 109.91 1goa s SER 36 Ca -0.10 0.39 -0.30 0.00 1.31 0.00 0.00 55.95 57.25 1goa s SER 36 Cb -0.09 0.36 0.12 0.00 0.21 0.00 0.00 66.02 66.62 1goa s SER 36 CO -0.00 -0.16 0.99 0.00 0.41 0.00 0.00 173.24 174.48 1goa s ALA 37 N -0.50 -1.93 0.03 1.44 0.00 -1.22 -4.99 121.76 114.59 1goa s ALA 37 Ca 0.04 1.53 0.08 0.00 0.00 0.00 0.00 51.96 53.60 1goa s ALA 37 Cb -0.03 -0.58 -0.02 0.00 0.00 0.00 0.00 23.12 22.49 1goa s ALA 37 CO -0.06 -0.36 -0.22 0.20 0.00 0.00 0.00 175.76 175.32 1goa s GLY 38 N -1.28 1.17 -0.08 0.00 0.00 -1.26 -1.71 107.32 104.16 1goa s GLY 38 Ca -0.01 -1.08 0.04 0.00 0.00 0.00 0.00 44.72 43.67 1goa s GLY 38 CO 0.00 -0.98 -0.20 -0.19 0.00 0.00 0.00 173.10 171.74 1goa s TYR 39 N -0.74 2.60 0.23 1.90 1.51 0.89 -1.09 117.35 122.65 1goa s TYR 39 Ca 0.09 -0.60 -0.07 0.00 -1.01 0.00 0.00 57.07 55.48 1goa s TYR 39 Cb -0.09 -1.67 0.36 0.00 -0.11 0.00 0.00 41.96 40.45 1goa s TYR 39 CO 0.01 -0.14 1.75 1.15 -1.11 0.00 0.00 175.55 177.22 1goa h THR 40 N 5.02 0.76 -2.21 -0.71 2.02 -1.20 -1.11 112.91 115.48 1goa h THR 40 Ca -0.33 -0.17 0.01 0.00 0.77 0.00 0.00 66.41 66.69 1goa h THR 40 Cb 1.18 0.22 -0.23 0.00 -1.74 0.00 0.00 68.15 67.58 1goa h THR 40 CO 0.50 0.09 -0.22 -0.60 0.37 0.00 0.00 175.52 175.66 1goa s ARG 41 N -6.05 0.48 0.00 6.66 3.52 -1.26 -3.45 118.95 118.85 1goa s ARG 41 Ca -0.13 1.28 0.00 0.00 -0.13 0.00 0.00 55.73 56.75 1goa s ARG 41 Cb 0.19 0.63 0.00 0.00 -1.56 0.00 0.00 34.95 34.21 1goa s ARG 41 CO 0.76 -0.22 0.00 -2.37 -0.81 0.00 0.00 175.30 172.66 1goa n THR 42 N 5.38 0.00 -4.41 4.11 5.66 -0.78 -4.40 114.28 119.83 1goa n THR 42 Ca -0.11 0.00 -0.20 0.00 -3.05 0.00 0.00 64.05 60.69 1goa n THR 42 Cb 0.50 0.00 -0.10 0.00 -1.55 0.00 0.00 70.33 69.17 1goa n THR 42 CO 0.00 0.00 0.00 0.42 -3.05 0.00 0.00 175.07 172.44 1goa s THR 43 N -2.88 1.36 0.10 1.09 -4.23 -1.26 -2.38 115.64 107.44 1goa s THR 43 Ca 0.00 -2.06 -0.26 0.00 -1.18 0.00 0.00 61.69 58.19 1goa s THR 43 Cb 0.00 -2.53 -0.10 0.00 1.34 0.00 0.00 72.50 71.20 1goa s THR 43 CO 0.00 -0.21 1.66 0.78 -0.54 0.00 0.00 174.62 176.31 1goa h ASN 44 N 2.27 -0.54 -0.68 3.99 2.35 -1.92 -1.52 115.58 119.53 1goa h ASN 44 Ca -0.40 0.06 0.11 0.00 -0.55 0.00 0.00 56.30 55.52 1goa h ASN 44 Cb 1.23 0.20 -0.08 0.00 0.05 0.00 0.00 38.32 39.72 1goa h ASN 44 CO 0.68 -0.28 0.28 0.78 -1.65 0.00 0.00 177.43 177.23 1goa h ASN 45 N -0.39 0.31 -0.16 5.81 -0.26 -1.97 -0.59 115.58 118.33 1goa h ASN 45 Ca 0.02 0.08 -0.13 0.00 -0.56 0.00 0.00 56.30 55.71 1goa h ASN 45 Cb 0.40 0.04 -0.01 0.00 -1.06 0.00 0.00 38.32 37.69 1goa h ASN 45 CO -0.09 0.16 -0.35 0.03 -1.06 0.00 0.00 177.43 176.13 1goa h ARG 46 N 0.47 0.68 -0.29 0.81 3.08 -1.94 -2.37 114.38 114.82 1goa h ARG 46 Ca 0.35 -0.32 -0.12 0.00 0.07 0.00 0.00 59.98 59.96 1goa h ARG 46 Cb 0.44 -0.01 -0.00 0.00 0.08 0.00 0.00 29.97 30.48 1goa h ARG 46 CO -0.32 0.92 -0.27 0.52 -1.07 0.00 0.00 179.97 179.75 1goa h MET 47 N 0.57 0.69 -0.73 0.04 2.86 -0.30 -0.85 114.93 117.20 1goa h MET 47 Ca 0.06 -0.36 -0.03 0.00 -2.06 0.00 0.00 59.70 57.31 1goa h MET 47 Cb 0.86 0.01 -0.03 0.00 0.06 0.00 0.00 31.60 32.50 1goa h MET 47 CO 0.07 0.97 0.34 0.93 1.06 0.00 0.00 176.91 180.29 1goa h GLU 48 N 0.43 1.04 -0.09 1.72 5.08 -1.13 -2.56 114.58 119.08 1goa h GLU 48 Ca 0.05 -0.15 -0.08 0.00 -1.00 0.00 0.00 59.36 58.18 1goa h GLU 48 Cb 0.84 -0.19 0.00 0.00 0.50 0.00 0.00 28.75 29.90 1goa h GLU 48 CO 0.07 0.81 -0.25 1.25 -1.00 0.00 0.00 179.01 179.89 1goa h LEU 49 N 1.04 0.37 -1.08 1.33 6.46 -1.29 -3.30 115.31 118.84 1goa h LEU 49 Ca 0.25 -0.60 0.04 0.00 -0.12 0.00 0.00 57.88 57.45 1goa h LEU 49 Cb 0.11 -0.11 -0.06 0.00 -0.73 0.00 0.00 40.66 39.88 1goa h LEU 49 CO -0.03 0.90 0.62 -0.03 -0.62 0.00 0.00 178.44 179.28 1goa h MET 50 N -0.14 1.14 -0.44 1.25 4.05 -1.15 -1.59 114.93 118.06 1goa h MET 50 Ca -0.01 -0.07 0.07 0.00 -0.28 0.00 0.00 59.70 59.41 1goa h MET 50 Cb 0.86 -0.26 -0.06 0.00 -0.80 0.00 0.00 31.60 31.35 1goa h MET 50 CO 0.05 0.76 0.11 0.00 0.23 0.00 0.00 176.91 178.06 1goa h ALA 51 N 1.45 0.49 -0.46 0.39 0.00 -1.57 -0.82 119.26 118.75 1goa h ALA 51 Ca 0.38 0.08 -0.09 0.00 0.00 0.00 0.00 54.91 55.27 1goa h ALA 51 Cb 0.03 0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.90 1goa h ALA 51 CO -0.12 -0.29 -0.08 0.00 0.00 0.00 0.00 179.25 178.76 1goa h ALA 52 N 1.32 0.63 0.03 0.00 0.00 -1.39 -3.08 119.26 116.76 1goa h ALA 52 Ca 0.21 -0.32 0.01 0.00 0.00 0.00 0.00 54.91 54.82 1goa h ALA 52 Cb 0.25 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.86 1goa h ALA 52 CO -0.26 0.50 -0.10 0.82 0.00 0.00 0.00 179.25 180.21 1goa h ILE 53 N 0.71 0.75 -0.60 0.00 2.04 -1.02 -2.76 117.51 116.63 1goa h ILE 53 Ca 0.12 0.00 -0.06 0.00 1.00 0.00 0.00 64.86 65.92 1goa h ILE 53 Cb 0.61 0.75 -0.03 0.00 -0.74 0.00 0.00 36.82 37.42 1goa h ILE 53 CO 0.04 0.00 0.13 0.58 0.00 0.00 0.00 178.15 178.90 1goa h VAL 54 N -0.19 1.24 -0.08 1.67 2.07 -1.23 0.20 116.25 119.93 1goa h VAL 54 Ca 0.03 -0.90 -0.02 0.00 0.82 0.00 0.00 66.70 66.64 1goa h VAL 54 Cb 0.22 0.64 -0.00 0.00 -1.52 0.00 0.00 31.29 30.63 1goa h VAL 54 CO -0.08 0.34 -0.02 0.00 0.02 0.00 0.00 177.57 177.83 1goa h ALA 55 N 1.25 0.11 -0.20 1.67 0.00 -1.52 -2.95 119.26 117.62 1goa h ALA 55 Ca 0.19 -0.21 -0.12 0.00 0.00 0.00 0.00 54.91 54.78 1goa h ALA 55 Cb 0.34 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.09 1goa h ALA 55 CO 0.00 -0.17 -0.38 -0.07 0.00 0.00 0.00 179.25 178.63 1goa h LEU 56 N -0.16 0.47 -0.28 0.00 3.38 -1.44 -2.57 115.31 114.71 1goa h LEU 56 Ca 0.02 -0.20 0.00 0.00 0.09 0.00 0.00 57.88 57.79 1goa h LEU 56 Cb 0.41 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 41.03 1goa h LEU 56 CO 0.01 0.81 0.00 -0.62 0.09 0.00 0.00 178.44 178.73 1goa n GLU 57 N -4.04 0.13 0.22 1.13 1.02 0.68 -3.10 120.64 116.68 1goa n GLU 57 Ca -0.01 0.28 0.11 0.00 -0.02 0.00 0.00 57.16 57.52 1goa n GLU 57 Cb 0.48 -1.71 0.30 0.00 -0.02 0.00 0.00 31.44 30.49 1goa n GLU 57 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1goa h ALA 58 N 2.48 0.95 -2.59 0.62 0.00 -1.27 -3.45 119.26 116.00 1goa h ALA 58 Ca 0.00 -0.09 -0.52 0.00 0.00 0.00 0.00 54.91 54.30 1goa h ALA 58 Cb 0.43 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.18 1goa h ALA 58 CO 0.00 0.13 0.33 -0.51 0.00 0.00 0.00 179.25 179.20 1goa s LEU 59 N -6.31 4.50 0.00 0.00 1.43 -1.18 -4.95 118.68 112.17 1goa s LEU 59 Ca 0.04 1.74 0.00 0.00 -1.03 0.00 0.00 54.13 54.89 1goa s LEU 59 Cb 0.07 -3.53 0.00 0.00 0.03 0.00 0.00 46.19 42.76 1goa s LEU 59 CO 0.65 -0.05 0.90 0.29 0.23 0.00 0.00 176.35 178.38 1goa n LYS 60 N 2.75 2.29 -4.39 1.70 4.76 -1.26 -4.97 118.16 119.05 1goa n LYS 60 Ca 0.01 -1.31 -0.20 0.00 -2.87 0.00 0.00 58.31 53.94 1goa n LYS 60 Cb 0.49 -0.98 -0.15 0.00 -1.84 0.00 0.00 35.03 32.55 1goa n LYS 60 CO 0.00 0.00 0.00 -1.83 -1.37 0.00 0.00 177.40 174.20 1goa s GLU 61 N -0.81 0.96 -0.08 1.97 -1.05 -1.26 -5.10 118.70 113.32 1goa s GLU 61 Ca 0.00 -0.30 -0.37 0.00 -0.15 0.00 0.00 54.97 54.15 1goa s GLU 61 Cb 0.00 -0.89 -0.14 0.00 -0.44 0.00 0.00 34.13 32.65 1goa s GLU 61 CO 0.00 0.11 1.68 0.72 0.95 0.00 0.00 175.26 178.72 1goa n HIS 62 N 3.30 2.06 -4.60 4.83 8.25 -1.26 -4.96 115.22 122.84 1goa n HIS 62 Ca -0.18 0.35 -0.27 0.00 -0.26 0.00 0.00 57.72 57.36 1goa n HIS 62 Cb 0.54 -2.51 -0.11 0.00 1.12 0.00 0.00 29.99 29.04 1goa n HIS 62 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1goa s GLU 64 N -3.70 2.72 -0.04 0.00 2.12 -1.26 -1.44 118.70 117.10 1goa s GLU 64 Ca 0.35 -1.32 0.01 0.00 0.36 0.00 0.00 54.97 54.36 1goa s GLU 64 Cb 0.09 -3.81 -0.03 0.00 0.26 0.00 0.00 34.13 30.64 1goa s GLU 64 CO 0.18 -0.88 -0.03 0.08 -0.54 0.00 0.00 175.26 174.07 1goa s VAL 65 N 1.50 4.02 -0.26 3.70 1.01 0.23 -2.77 120.40 127.82 1goa s VAL 65 Ca 0.03 -0.48 0.02 0.00 0.00 0.00 0.00 61.98 61.54 1goa s VAL 65 Cb -0.22 -2.72 0.05 0.00 0.00 0.00 0.00 36.38 33.50 1goa s VAL 65 CO 0.04 0.51 -0.09 -0.51 0.00 0.00 0.00 175.10 175.05 1goa s ILE 66 N -0.94 2.39 -0.35 2.22 1.10 -0.90 -0.08 121.20 124.63 1goa s ILE 66 Ca 0.15 -1.50 -0.11 0.00 -0.51 0.00 0.00 60.65 58.68 1goa s ILE 66 Cb -0.11 -2.36 0.01 0.00 0.15 0.00 0.00 42.46 40.14 1goa s ILE 66 CO 0.05 0.00 0.21 -0.22 -2.11 0.00 0.00 174.94 172.87 1goa s LEU 67 N 1.16 4.54 -0.29 8.50 0.20 -0.04 -0.82 118.68 131.92 1goa s LEU 67 Ca -0.07 -0.73 -0.08 0.00 0.69 0.00 0.00 54.13 53.94 1goa s LEU 67 Cb -0.19 -2.05 -0.00 0.00 -0.43 0.00 0.00 46.19 43.51 1goa s LEU 67 CO -0.05 -0.31 0.11 -0.55 -0.29 0.00 0.00 176.35 175.26 1goa s SER 68 N 1.62 5.29 0.07 3.68 0.15 0.88 -0.48 113.70 124.90 1goa s SER 68 Ca 0.04 -0.54 -0.06 0.00 0.70 0.00 0.00 55.95 56.10 1goa s SER 68 Cb -0.18 -1.94 -0.02 0.00 -1.71 0.00 0.00 66.02 62.18 1goa s SER 68 CO 0.08 -0.16 0.10 0.28 1.20 0.00 0.00 173.24 174.74 1goa s THR 69 N 1.57 0.17 -1.73 6.45 -1.32 -0.50 -2.57 115.64 117.71 1goa s THR 69 Ca 0.04 -1.37 0.15 0.00 -1.21 0.00 0.00 61.69 59.29 1goa s THR 69 Cb -0.17 -1.33 0.18 0.00 -1.51 0.00 0.00 72.50 69.67 1goa s THR 69 CO 0.04 -0.76 1.04 -0.90 -2.21 0.00 0.00 174.62 171.84 1goa n ASP 70 N 0.13 2.44 -4.74 8.08 3.85 -1.26 -2.28 116.55 122.77 1goa n ASP 70 Ca -0.15 -1.69 -0.42 0.00 -0.71 0.00 0.00 54.79 51.81 1goa n ASP 70 Cb 0.61 -0.06 -0.02 0.00 -1.35 0.00 0.00 41.12 40.30 1goa n ASP 70 CO 0.00 0.00 0.00 -0.55 -1.01 0.00 0.00 177.20 175.64 1goa s SER 71 N -1.19 6.42 0.17 -1.12 0.15 -1.26 -4.88 113.70 111.98 1goa s SER 71 Ca 0.20 2.86 0.10 0.00 0.70 0.00 0.00 55.95 59.81 1goa s SER 71 Cb 0.13 -2.62 -0.12 0.00 -1.71 0.00 0.00 66.02 61.70 1goa s SER 71 CO 0.19 -0.91 1.33 -0.61 1.20 0.00 0.00 173.24 174.43 1goa h GLN 72 N 5.80 0.00 0.09 5.44 4.15 -1.97 -3.11 115.11 125.51 1goa h GLN 72 Ca -0.45 0.00 -0.00 0.00 0.77 0.00 0.00 58.65 58.97 1goa h GLN 72 Cb 1.21 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.90 1goa h GLN 72 CO 0.87 0.84 -0.04 -0.92 -1.93 0.00 0.00 178.83 177.64 1goa h TYR 73 N 0.00 -0.11 -0.58 3.99 3.20 -1.96 -1.23 116.97 120.28 1goa h TYR 73 Ca -0.01 -0.00 -0.01 0.00 3.14 0.00 0.00 58.73 61.84 1goa h TYR 73 Cb 1.65 0.04 -0.03 0.00 1.54 0.00 0.00 36.73 39.93 1goa h TYR 73 CO 0.00 0.33 0.32 0.28 -1.64 0.00 0.00 178.16 177.44 1goa h VAL 74 N -0.60 1.19 -0.55 1.81 2.07 -1.93 -2.76 116.25 115.48 1goa h VAL 74 Ca -0.01 -0.49 0.07 0.00 0.82 0.00 0.00 66.70 67.09 1goa h VAL 74 Cb 0.49 0.46 -0.06 0.00 -1.52 0.00 0.00 31.29 30.66 1goa h VAL 74 CO 0.02 0.21 0.23 -0.09 0.02 0.00 0.00 177.57 177.95 1goa h ARG 75 N 0.78 0.41 0.24 1.57 2.43 -1.56 0.18 114.38 118.45 1goa h ARG 75 Ca 0.20 -0.02 -0.01 0.00 -0.81 0.00 0.00 59.98 59.34 1goa h ARG 75 Cb 0.05 -0.09 -0.00 0.00 -0.42 0.00 0.00 29.97 29.50 1goa h ARG 75 CO -0.03 0.27 -0.15 1.96 -1.51 0.00 0.00 179.97 180.51 1goa h GLN 76 N 0.43 -0.37 0.43 0.20 4.20 -1.11 0.86 115.11 119.75 1goa h GLN 76 Ca 0.26 0.03 -0.01 0.00 0.06 0.00 0.00 58.65 58.98 1goa h GLN 76 Cb 0.27 0.08 -0.01 0.00 0.30 0.00 0.00 27.48 28.13 1goa h GLN 76 CO -0.24 -0.25 -0.27 0.78 -0.67 0.00 0.00 178.83 178.18 1goa h GLY 77 N -0.38 -0.71 0.94 3.46 0.00 -1.15 -0.19 103.07 105.02 1goa h GLY 77 Ca -0.02 0.30 -0.03 0.00 0.00 0.00 0.00 47.33 47.58 1goa h GLY 77 CO 0.02 -0.27 -0.30 -2.22 0.00 0.00 0.00 176.54 173.78 1goa h ILE 78 N -0.68 0.37 -0.72 2.60 1.08 -0.61 -0.35 117.51 119.20 1goa h ILE 78 Ca -0.05 -0.11 -0.00 0.00 -0.39 0.00 0.00 64.86 64.31 1goa h ILE 78 Cb 0.56 0.41 -0.03 0.00 -3.07 0.00 0.00 36.82 34.68 1goa h ILE 78 CO 0.04 0.02 0.43 0.71 -0.69 0.00 0.00 178.15 178.66 1goa h THR 79 N -0.90 1.21 -0.05 -0.27 1.35 -0.84 -2.79 112.91 110.61 1goa h THR 79 Ca -0.08 -0.45 0.00 0.00 -0.55 0.00 0.00 66.41 65.32 1goa h THR 79 Cb 0.66 0.21 0.00 0.00 -1.73 0.00 0.00 68.15 67.29 1goa h THR 79 CO 0.14 0.21 0.00 0.00 -0.25 0.00 0.00 175.52 175.62 1goa n GLN 80 N -4.53 1.18 -3.84 4.72 6.02 -0.09 -4.97 117.38 115.87 1goa n GLN 80 Ca 0.06 -0.28 -0.26 0.00 -0.01 0.00 0.00 57.00 56.52 1goa n GLN 80 Cb 0.06 -1.26 0.02 0.00 1.02 0.00 0.00 30.24 30.07 1goa n GLN 80 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1goa n GLY 80 N 0.82 -0.36 0.00 1.08 0.00 -0.83 -4.93 105.19 100.97 1goa n GLY 80 Ca 0.12 0.15 -0.00 0.00 0.00 0.00 0.00 46.02 46.29 1goa n GLY 80 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 173.32 174.81 1goa h TRP 81 N -1.92 -0.00 -0.91 1.61 -0.00 -1.36 -2.43 115.95 110.93 1goa h TRP 81 Ca -0.60 0.00 0.14 0.00 -0.00 0.00 0.00 58.89 58.43 1goa h TRP 81 Cb 1.37 0.00 -0.15 0.00 -0.00 0.00 0.00 29.16 30.39 1goa h TRP 81 CO 0.51 -0.00 -0.36 -0.89 -0.00 0.00 0.00 178.44 177.70 1goa n ILE 82 N -2.56 -0.48 0.12 1.49 5.41 -1.26 -0.78 119.36 121.29 1goa n ILE 82 Ca -0.00 2.13 -0.13 0.00 1.00 0.00 0.00 62.75 65.75 1goa n ILE 82 Cb 0.00 -2.81 -0.06 0.00 -0.71 0.00 0.00 39.64 36.07 1goa n ILE 82 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 176.55 177.00 1goa h HIS 83 N 0.00 -0.58 -0.11 1.39 3.86 -1.89 -1.17 115.15 116.66 1goa h HIS 83 Ca 0.31 0.01 0.03 0.00 -1.16 0.00 0.00 60.37 59.56 1goa h HIS 83 Cb 0.54 0.24 -0.06 0.00 1.06 0.00 0.00 27.41 29.18 1goa h HIS 83 CO -0.80 -0.32 -0.52 -0.91 0.86 0.00 0.00 177.93 176.24 1goa h ASN 84 N -0.42 -1.65 -0.26 2.45 2.35 -0.46 -3.00 115.58 114.59 1goa h ASN 84 Ca 0.02 0.20 0.04 0.00 -0.55 0.00 0.00 56.30 56.01 1goa h ASN 84 Cb 0.43 0.64 -0.04 0.00 0.05 0.00 0.00 38.32 39.41 1goa h ASN 84 CO -0.11 -0.49 0.02 -0.50 -1.65 0.00 0.00 177.43 174.70 1goa h TRP 85 N -0.59 0.03 -0.31 1.19 6.55 -0.97 -2.78 115.95 119.07 1goa h TRP 85 Ca 0.04 0.02 0.04 0.00 0.95 0.00 0.00 58.89 59.94 1goa h TRP 85 Cb 0.69 0.03 -0.02 0.00 -0.86 0.00 0.00 29.16 29.00 1goa h TRP 85 CO -0.56 -0.02 0.21 0.87 -1.05 0.00 0.00 178.44 177.90 1goa h LYS 86 N 0.11 0.23 -0.06 0.49 1.57 -1.14 0.41 116.57 118.18 1goa h LYS 86 Ca 0.12 -0.01 -0.22 0.00 -1.87 0.00 0.00 60.65 58.67 1goa h LYS 86 Cb 0.14 -0.05 0.00 0.00 0.08 0.00 0.00 32.23 32.41 1goa h LYS 86 CO -0.19 0.15 -0.85 0.87 -0.57 0.00 0.00 179.45 178.86 1goa h LYS 87 N 0.24 0.54 -0.92 3.15 1.57 -1.36 -3.29 116.57 116.51 1goa h LYS 87 Ca 0.13 -0.51 -0.30 0.00 -1.87 0.00 0.00 60.65 58.11 1goa h LYS 87 Cb 0.23 0.12 -0.18 0.00 0.08 0.00 0.00 32.23 32.49 1goa h LYS 87 CO -0.03 1.13 0.37 0.54 -0.57 0.00 0.00 179.45 180.90 1goa n ARG 88 N -3.83 2.48 -1.96 3.15 1.74 -0.34 -4.91 116.66 112.99 1goa n ARG 88 Ca -0.07 -2.33 -0.21 0.00 -0.77 0.00 0.00 57.85 54.47 1goa n ARG 88 Cb 0.78 -1.95 -0.05 0.00 -1.02 0.00 0.00 32.46 30.22 1goa n ARG 88 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1goa n GLY 89 N -0.44 0.88 2.26 -0.13 0.00 -0.56 -2.86 105.19 104.34 1goa n GLY 89 Ca 0.40 -0.01 -0.13 0.00 0.00 0.00 0.00 46.02 46.28 1goa n GLY 89 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 1goa n TRP 90 N -3.12 -0.57 -4.40 1.61 7.02 0.13 -5.00 117.44 113.11 1goa n TRP 90 Ca -0.23 0.00 -0.28 0.00 -1.02 0.00 0.00 57.50 55.97 1goa n TRP 90 Cb 0.69 -2.82 -0.12 0.00 -2.42 0.00 0.00 31.31 26.63 1goa n TRP 90 CO 0.00 0.00 0.00 0.15 -2.02 0.00 0.00 177.69 175.82 1goa s LYS 91 N -4.51 1.43 0.96 -0.99 1.02 -1.13 -1.11 119.74 115.40 1goa s LYS 91 Ca 0.00 -1.41 -0.16 0.00 0.02 0.00 0.00 55.97 54.42 1goa s LYS 91 Cb 0.00 -1.86 0.20 0.00 -0.52 0.00 0.00 37.83 35.65 1goa s LYS 91 CO 0.00 0.42 1.32 0.95 -0.92 0.00 0.00 175.35 177.12 1goa s THR 92 N -1.30 2.00 0.53 2.17 -4.23 0.14 -4.80 115.64 110.15 1goa s THR 92 Ca 0.16 -0.01 0.23 0.00 -1.18 0.00 0.00 61.69 60.90 1goa s THR 92 Cb -0.09 -2.99 0.36 0.00 1.34 0.00 0.00 72.50 71.11 1goa s THR 92 CO 0.07 0.00 2.04 0.00 -0.54 0.00 0.00 174.62 176.20 1goa h ALA 93 N -1.62 2.32 -0.96 3.99 0.00 -1.99 0.56 119.26 121.56 1goa h ALA 93 Ca -0.44 -0.01 -0.48 0.00 0.00 0.00 0.00 54.91 53.97 1goa h ALA 93 Cb 1.24 0.03 -0.29 0.00 0.00 0.00 0.00 17.79 18.77 1goa h ALA 93 CO 0.39 -0.45 0.60 -0.40 0.00 0.00 0.00 179.25 179.39 1goa n ASP 94 N -4.38 3.86 -1.89 0.00 5.68 -1.26 -4.92 116.55 113.64 1goa n ASP 94 Ca 0.06 -3.57 -0.19 0.00 -0.50 0.00 0.00 54.79 50.59 1goa n ASP 94 Cb 0.45 -0.83 -0.05 0.00 -1.14 0.00 0.00 41.12 39.55 1goa n ASP 94 CO 0.00 0.00 0.00 0.29 -1.33 0.00 0.00 177.20 176.16 1goa n LYS 95 N -1.03 -1.57 -3.70 0.11 4.76 0.19 -5.00 118.16 111.91 1goa n LYS 95 Ca 0.57 1.03 -0.27 0.00 -2.87 0.00 0.00 58.31 56.78 1goa n LYS 95 Cb 1.64 -5.50 -0.03 0.00 -1.84 0.00 0.00 35.03 29.29 1goa n LYS 95 CO 0.00 0.00 0.00 0.15 -1.37 0.00 0.00 177.40 176.18 1goa s LYS 96 N -4.17 3.52 0.32 1.97 1.02 -1.26 -4.80 119.74 116.34 1goa s LYS 96 Ca 0.00 -0.36 -0.29 0.00 0.02 0.00 0.00 55.97 55.34 1goa s LYS 96 Cb 0.00 -2.84 -0.11 0.00 -0.52 0.00 0.00 37.83 34.36 1goa s LYS 96 CO 0.00 0.40 1.51 -1.25 -0.92 0.00 0.00 175.35 175.09 1goa s PRO 97 N -3.36 4.16 0.79 -1.68 0.04 -1.26 0.26 135.00 133.95 1goa s PRO 97 Ca 0.38 2.51 -0.14 0.00 0.04 0.00 0.00 61.00 63.79 1goa s PRO 97 Cb -0.11 -3.02 0.07 0.00 0.04 0.00 0.00 34.50 31.49 1goa s PRO 97 CO 0.29 -0.53 1.21 0.14 0.04 0.00 0.00 177.00 178.16 1goa s VAL 98 N -0.51 2.04 0.17 -0.36 -7.23 -0.27 -4.75 120.40 109.48 1goa s VAL 98 Ca 0.58 0.02 -0.31 0.00 -1.81 0.00 0.00 61.98 60.46 1goa s VAL 98 Cb -0.46 -2.48 -0.09 0.00 0.56 0.00 0.00 36.38 33.92 1goa s VAL 98 CO 0.53 -0.01 1.38 -0.75 -0.31 0.00 0.00 175.10 175.94 1goa s LYS 99 N -4.07 4.33 -1.45 4.82 2.20 -1.26 -2.59 119.74 121.73 1goa s LYS 99 Ca 0.74 2.11 -0.08 0.00 -0.36 0.00 0.00 55.97 58.38 1goa s LYS 99 Cb -0.30 -3.20 0.02 0.00 -1.51 0.00 0.00 37.83 32.84 1goa s LYS 99 CO 0.50 -0.38 0.92 0.09 -0.36 0.00 0.00 175.35 176.11 1goa n ASN 100 N 3.26 -5.98 0.06 1.43 3.02 -1.26 -4.91 115.26 110.88 1goa n ASN 100 Ca 0.09 -0.47 0.10 0.00 -0.03 0.00 0.00 54.58 54.27 1goa n ASN 100 Cb 0.42 -4.76 0.55 0.00 -0.61 0.00 0.00 39.78 35.38 1goa n ASN 100 CO 0.00 0.00 0.00 1.62 -2.62 0.00 0.00 177.26 176.26 1goa h VAL 101 N -2.07 0.96 -0.50 2.41 3.04 -1.86 -1.99 116.25 116.24 1goa h VAL 101 Ca -0.55 -0.09 0.01 0.00 -1.01 0.00 0.00 66.70 65.05 1goa h VAL 101 Cb 1.37 0.68 -0.02 0.00 -2.01 0.00 0.00 31.29 31.30 1goa h VAL 101 CO 0.58 0.05 0.33 -2.24 -1.01 0.00 0.00 177.57 175.28 1goa h ASP 102 N 0.26 0.57 -0.03 3.17 2.03 -1.91 -2.35 116.42 118.17 1goa h ASP 102 Ca 0.15 -0.01 -0.04 0.00 -0.73 0.00 0.00 57.03 56.40 1goa h ASP 102 Cb 0.27 -0.14 0.00 0.00 -0.83 0.00 0.00 39.33 38.63 1goa h ASP 102 CO -0.03 0.41 -0.13 -0.07 -1.03 0.00 0.00 179.24 178.40 1goa h LEU 103 N 0.68 0.16 -1.01 0.15 3.38 -1.83 -3.10 115.31 113.73 1goa h LEU 103 Ca 0.18 -0.66 0.10 0.00 0.09 0.00 0.00 57.88 57.59 1goa h LEU 103 Cb -0.08 -0.05 -0.08 0.00 0.09 0.00 0.00 40.66 40.55 1goa h LEU 103 CO -0.04 0.79 0.64 -0.50 0.09 0.00 0.00 178.44 179.42 1goa h TRP 104 N -0.47 1.17 -0.37 1.13 4.06 -1.38 0.39 115.95 120.48 1goa h TRP 104 Ca -0.01 0.03 -0.03 0.00 2.06 0.00 0.00 58.89 60.95 1goa h TRP 104 Cb 0.79 -0.38 -0.02 0.00 -1.00 0.00 0.00 29.16 28.56 1goa h TRP 104 CO 0.15 0.52 0.12 1.96 -3.56 0.00 0.00 178.44 177.64 1goa h GLN 105 N 1.07 0.56 -0.81 0.49 4.20 -1.53 0.40 115.11 119.49 1goa h GLN 105 Ca 0.47 -0.12 -0.01 0.00 0.06 0.00 0.00 58.65 59.06 1goa h GLN 105 Cb 0.36 -0.08 -0.04 0.00 0.30 0.00 0.00 27.48 28.02 1goa h GLN 105 CO -0.23 0.57 0.46 0.00 -0.67 0.00 0.00 178.83 178.96 1goa h ARG 106 N 0.44 1.10 0.67 1.46 3.08 -1.15 -1.08 114.38 118.92 1goa h ARG 106 Ca 0.12 -0.11 -0.03 0.00 0.07 0.00 0.00 59.98 60.03 1goa h ARG 106 Cb 0.23 -0.23 0.01 0.00 0.08 0.00 0.00 29.97 30.06 1goa h ARG 106 CO -0.01 0.79 -0.32 1.25 -1.07 0.00 0.00 179.97 180.61 1goa h LEU 107 N 1.12 -0.77 -0.88 3.04 5.85 -0.86 -2.65 115.31 120.17 1goa h LEU 107 Ca 0.29 -0.01 0.22 0.00 0.84 0.00 0.00 57.88 59.21 1goa h LEU 107 Cb -0.01 0.20 -0.16 0.00 0.37 0.00 0.00 40.66 41.06 1goa h LEU 107 CO -0.05 -0.43 -0.01 -0.78 -0.34 0.00 0.00 178.44 176.83 1goa h ASP 108 N -1.11 -0.47 -0.59 1.25 1.82 -0.74 -0.40 116.42 116.18 1goa h ASP 108 Ca -0.09 0.24 -0.00 0.00 -0.39 0.00 0.00 57.03 56.79 1goa h ASP 108 Cb 0.73 0.43 -0.03 0.00 0.68 0.00 0.00 39.33 41.14 1goa h ASP 108 CO 0.15 -0.27 0.36 0.00 -1.61 0.00 0.00 179.24 177.87 1goa h ALA 109 N 1.85 1.50 -0.20 -0.78 0.00 -1.13 -2.69 119.26 117.82 1goa h ALA 109 Ca 0.50 -0.07 -0.17 0.00 0.00 0.00 0.00 54.91 55.17 1goa h ALA 109 Cb 0.93 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 18.48 1goa h ALA 109 CO -0.81 0.43 -0.53 0.00 0.00 0.00 0.00 179.25 178.34 1goa h ALA 110 N 1.57 0.33 -0.27 0.00 0.00 -0.74 -3.28 119.26 116.87 1goa h ALA 110 Ca 0.22 -0.51 0.02 0.00 0.00 0.00 0.00 54.91 54.64 1goa h ALA 110 Cb -0.03 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 17.71 1goa h ALA 110 CO -0.04 0.53 0.18 -0.07 0.00 0.00 0.00 179.25 179.85 1goa h LEU 111 N 0.42 0.24 -0.00 0.00 4.07 -0.99 -0.52 115.31 118.53 1goa h LEU 111 Ca -0.01 -0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.94 1goa h LEU 111 Cb 1.15 -0.06 0.00 0.00 1.08 0.00 0.00 40.66 42.83 1goa h LEU 111 CO 0.12 0.17 -0.00 0.61 -1.08 0.00 0.00 178.44 178.25 1goa n GLY 112 N -1.52 -1.39 0.11 0.83 0.00 -1.06 -3.83 105.19 98.34 1goa n GLY 112 Ca 0.02 -0.12 -0.22 0.00 0.00 0.00 0.00 46.02 45.70 1goa n GLY 112 CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 1goa h GLN 113 N 0.00 0.03 -6.20 1.61 1.08 -1.21 -3.49 115.11 106.94 1goa h GLN 113 Ca 0.00 -0.05 -0.53 0.00 -1.45 0.00 0.00 58.65 56.62 1goa h GLN 113 Cb 0.39 0.02 -0.07 0.00 -0.05 0.00 0.00 27.48 27.77 1goa h GLN 113 CO 0.00 1.02 -0.58 -1.01 -0.95 0.00 0.00 178.83 177.32 1goa s HIS 114 N -2.38 2.95 -0.42 2.96 3.76 -1.05 -4.53 115.29 116.59 1goa s HIS 114 Ca -0.28 -0.15 -0.18 0.00 -0.15 0.00 0.00 55.06 54.30 1goa s HIS 114 Cb 0.06 -1.33 0.02 0.00 1.11 0.00 0.00 32.58 32.44 1goa s HIS 114 CO 0.61 0.56 0.50 -1.14 -0.85 0.00 0.00 174.74 174.43 1goa s GLN 115 N -3.72 3.20 -0.06 1.40 0.74 -0.52 -4.78 119.66 115.91 1goa s GLN 115 Ca 0.32 -0.59 0.01 0.00 0.05 0.00 0.00 55.36 55.15 1goa s GLN 115 Cb -0.07 -3.95 -0.03 0.00 1.10 0.00 0.00 33.01 30.06 1goa s GLN 115 CO 0.23 -0.88 -0.05 0.42 -0.55 0.00 0.00 175.29 174.46 1goa s ILE 116 N 2.36 3.83 -0.25 -2.34 1.01 -1.26 0.74 121.20 125.29 1goa s ILE 116 Ca 0.16 -0.47 0.01 0.00 0.00 0.00 0.00 60.65 60.35 1goa s ILE 116 Cb -0.16 -2.59 0.06 0.00 0.01 0.00 0.00 42.46 39.79 1goa s ILE 116 CO 0.15 0.57 -0.05 -0.75 0.00 0.00 0.00 174.94 174.86 1goa s LYS 117 N -0.90 1.71 0.19 2.79 2.36 0.88 -4.96 119.74 121.81 1goa s LYS 117 Ca 0.13 -1.12 -0.24 0.00 -2.55 0.00 0.00 55.97 52.19 1goa s LYS 117 Cb -0.11 -2.67 -0.08 0.00 -1.05 0.00 0.00 37.83 33.92 1goa s LYS 117 CO 0.02 -0.63 0.78 -1.58 1.55 0.00 0.00 175.35 175.50 1goa s TRP 118 N 1.31 3.83 -0.19 4.03 0.52 -1.26 -0.86 118.94 126.32 1goa s TRP 118 Ca -0.05 1.60 -0.02 0.00 0.02 0.00 0.00 56.10 57.65 1goa s TRP 118 Cb -0.19 -2.75 0.06 0.00 -1.15 0.00 0.00 33.47 29.43 1goa s TRP 118 CO -0.07 0.45 0.00 -2.00 0.02 0.00 0.00 176.95 175.36 1goa s GLU 119 N -1.41 0.95 -0.28 4.98 2.12 0.37 -4.91 118.70 120.51 1goa s GLU 119 Ca 0.39 -0.51 -0.17 0.00 0.36 0.00 0.00 54.97 55.04 1goa s GLU 119 Cb -0.21 -2.11 -0.03 0.00 0.26 0.00 0.00 34.13 32.04 1goa s GLU 119 CO 0.25 -0.58 0.46 -1.58 -0.54 0.00 0.00 175.26 173.27 1goa s TRP 120 N 1.74 3.24 0.13 5.30 0.52 -1.26 -1.41 118.94 127.20 1goa s TRP 120 Ca -0.01 0.45 0.03 0.00 0.02 0.00 0.00 56.10 56.59 1goa s TRP 120 Cb -0.17 -2.71 -0.04 0.00 -1.15 0.00 0.00 33.47 29.40 1goa s TRP 120 CO -0.07 -0.32 0.17 0.14 0.02 0.00 0.00 176.95 176.89 1goa s VAL 121 N 2.24 4.80 -0.27 4.03 -7.23 -0.97 -4.98 120.40 118.02 1goa s VAL 121 Ca 0.18 -0.83 -0.04 0.00 -1.81 0.00 0.00 61.98 59.48 1goa s VAL 121 Cb -0.16 -3.41 0.09 0.00 0.56 0.00 0.00 36.38 33.46 1goa s VAL 121 CO 0.10 -0.02 0.12 -0.75 -0.31 0.00 0.00 175.10 174.24 1goa s LYS 122 N -2.90 0.22 0.00 4.82 2.47 -1.26 -4.25 119.74 118.83 1goa s LYS 122 Ca 0.32 -0.50 0.00 0.00 -1.56 0.00 0.00 55.97 54.23 1goa s LYS 122 Cb -0.11 -1.35 0.00 0.00 -1.46 0.00 0.00 37.83 34.90 1goa s LYS 122 CO 0.25 -0.95 0.00 0.41 0.16 0.00 0.00 175.35 175.22 1goa n GLY 123 N 5.22 1.35 0.08 5.54 0.00 -1.26 -4.81 105.19 111.31 1goa n GLY 123 Ca -0.06 -1.56 0.12 0.00 0.00 0.00 0.00 46.02 44.52 1goa n GLY 123 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1goa n HIS 124 N 1.51 0.59 -1.82 1.61 8.25 -1.26 -4.62 115.22 119.47 1goa n HIS 124 Ca 0.00 0.20 -0.41 0.00 -0.26 0.00 0.00 57.72 57.26 1goa n HIS 124 Cb 0.00 -0.83 -0.03 0.00 1.12 0.00 0.00 29.99 30.25 1goa n HIS 124 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1goa s ALA 125 N -3.15 2.46 -0.15 -1.41 0.00 -1.26 -1.11 121.76 117.14 1goa s ALA 125 Ca 0.08 0.19 -0.00 0.00 0.00 0.00 0.00 51.96 52.22 1goa s ALA 125 Cb 0.12 -4.15 0.00 0.00 0.00 0.00 0.00 23.12 19.09 1goa s ALA 125 CO 0.45 -3.26 0.05 0.41 0.00 0.00 0.00 175.76 173.41 1goa n GLY 126 N 5.67 0.53 2.53 0.00 0.00 -1.26 -5.00 105.19 107.66 1goa n GLY 126 Ca 0.27 -0.71 -0.17 0.00 0.00 0.00 0.00 46.02 45.40 1goa n GLY 126 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1goa n HIS 127 N -3.43 -2.10 0.04 1.61 -0.00 -0.27 -5.03 115.22 106.05 1goa n HIS 127 Ca -0.01 -2.53 -0.15 0.00 -0.00 0.00 0.00 57.72 55.03 1goa n HIS 127 Cb 0.51 0.74 -0.05 0.00 -0.00 0.00 0.00 29.99 31.19 1goa n HIS 127 CO 0.00 0.00 0.00 -1.00 -0.00 0.00 0.00 176.34 175.34 1goa h PRO 128 N 5.18 0.54 -0.31 -0.41 0.13 -1.95 -1.55 132.00 133.63 1goa h PRO 128 Ca 0.15 -0.52 -0.01 0.00 -0.87 0.00 0.00 66.00 64.74 1goa h PRO 128 Cb 0.99 0.13 -0.02 0.00 0.13 0.00 0.00 31.00 32.24 1goa h PRO 128 CO 0.24 1.15 0.13 0.93 -0.23 0.00 0.00 178.00 180.22 1goa h GLU 129 N 0.33 0.43 -0.01 0.86 3.07 -1.95 0.20 114.58 117.50 1goa h GLU 129 Ca -0.07 -0.05 -0.21 0.00 -0.50 0.00 0.00 59.36 58.53 1goa h GLU 129 Cb 1.51 -0.09 0.02 0.00 -0.84 0.00 0.00 28.75 29.35 1goa h GLU 129 CO 0.16 0.36 -0.80 -0.91 -1.40 0.00 0.00 179.01 176.42 1goa h ASN 130 N 0.43 0.73 -0.48 1.42 4.21 -1.93 -2.40 115.58 117.56 1goa h ASN 130 Ca 0.11 -0.74 0.08 0.00 1.21 0.00 0.00 56.30 56.97 1goa h ASN 130 Cb 0.09 -0.22 -0.07 0.00 -1.12 0.00 0.00 38.32 36.99 1goa h ASN 130 CO -0.01 1.37 0.07 -0.33 -1.29 0.00 0.00 177.43 177.23 1goa h GLU 131 N 0.16 0.19 -0.37 0.81 5.08 -0.52 -2.25 114.58 117.68 1goa h GLU 131 Ca -0.10 -0.01 0.06 0.00 -1.00 0.00 0.00 59.36 58.32 1goa h GLU 131 Cb 1.48 -0.04 -0.06 0.00 0.50 0.00 0.00 28.75 30.63 1goa h GLU 131 CO 0.16 0.12 0.02 0.00 -1.00 0.00 0.00 179.01 178.32 1goa h ARG 132 N 0.19 0.13 -0.89 2.33 3.08 -0.62 -2.14 114.38 116.46 1goa h ARG 132 Ca 0.24 -0.01 0.06 0.00 0.07 0.00 0.00 59.98 60.35 1goa h ARG 132 Cb 0.33 -0.03 -0.06 0.00 0.08 0.00 0.00 29.97 30.30 1goa h ARG 132 CO -0.34 0.08 0.58 0.00 -1.07 0.00 0.00 179.97 179.23 1goa h ASP 134 N 1.02 0.66 -0.84 0.00 3.58 -0.84 0.59 116.42 120.58 1goa h ASP 134 Ca 0.38 -0.27 -0.03 0.00 0.42 0.00 0.00 57.03 57.54 1goa h ASP 134 Cb 0.19 -0.17 -0.04 0.00 1.72 0.00 0.00 39.33 41.03 1goa h ASP 134 CO -0.14 0.76 0.41 -0.33 -2.88 0.00 0.00 179.24 177.06 1goa h GLU 135 N 0.53 1.21 -0.28 0.28 5.08 -0.75 0.30 114.58 120.95 1goa h GLU 135 Ca 0.12 -0.17 -0.06 0.00 -1.00 0.00 0.00 59.36 58.25 1goa h GLU 135 Cb 0.39 -0.22 -0.01 0.00 0.50 0.00 0.00 28.75 29.41 1goa h GLU 135 CO 0.01 0.92 -0.05 -0.07 -1.00 0.00 0.00 179.01 178.82 1goa h LEU 136 N 1.20 0.54 0.09 1.33 3.38 -0.40 -2.37 115.31 119.07 1goa h LEU 136 Ca 0.29 -0.35 -0.00 0.00 0.09 0.00 0.00 57.88 57.90 1goa h LEU 136 Cb 0.11 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 40.71 1goa h LEU 136 CO -0.04 0.77 -0.04 0.00 0.09 0.00 0.00 178.44 179.22 1goa h ALA 137 N 0.79 -0.12 0.00 1.53 0.00 0.62 -1.64 119.26 120.45 1goa h ALA 137 Ca 0.07 -0.06 -0.07 0.00 0.00 0.00 0.00 54.91 54.86 1goa h ALA 137 Cb 0.52 0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.35 1goa h ALA 137 CO 0.03 -0.53 -0.33 0.00 0.00 0.00 0.00 179.25 178.41 1goa h ARG 138 N -0.19 0.00 0.03 0.00 3.08 -0.96 -2.57 114.38 113.78 1goa h ARG 138 Ca -0.01 0.00 -0.00 0.00 0.07 0.00 0.00 59.98 60.04 1goa h ARG 138 Cb 0.15 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.20 1goa h ARG 138 CO 0.02 0.33 -0.02 0.00 -1.07 0.00 0.00 179.97 179.24 1goa h ALA 139 N 1.67 -0.05 -0.53 0.04 0.00 -1.30 -3.26 119.26 115.83 1goa h ALA 139 Ca -0.00 -0.29 0.07 0.00 0.00 0.00 0.00 54.91 54.69 1goa h ALA 139 Cb 0.73 0.02 -0.06 0.00 0.00 0.00 0.00 17.79 18.47 1goa h ALA 139 CO 0.04 -0.22 0.21 0.00 0.00 0.00 0.00 179.25 179.28 1goa h ALA 140 N 0.26 0.67 -0.33 0.00 0.00 -1.16 -2.49 119.26 116.21 1goa h ALA 140 Ca -0.00 0.06 0.09 0.00 0.00 0.00 0.00 54.91 55.06 1goa h ALA 140 Cb 0.59 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.39 1goa h ALA 140 CO 0.01 -0.18 0.40 0.00 0.00 0.00 0.00 179.25 179.48 1goa h ALA 141 N 1.35 1.97 0.00 0.00 0.00 -1.53 0.18 119.26 121.23 1goa h ALA 141 Ca 0.26 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.16 1goa h ALA 141 Cb 0.27 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.08 1goa h ALA 141 CO -0.25 -0.57 0.00 0.52 0.00 0.00 0.00 179.25 178.95 1goa h MET 142 N 0.00 0.00 -2.00 0.00 2.86 -1.48 -3.38 114.93 110.93 1goa h MET 142 Ca 0.16 0.00 -0.54 0.00 -2.06 0.00 0.00 59.70 57.26 1goa h MET 142 Cb 0.96 0.00 -0.39 0.00 0.06 0.00 0.00 31.60 32.23 1goa h MET 142 CO -0.00 0.00 -1.13 0.09 1.06 0.00 0.00 176.91 176.92 1goa n ASN 143 N -2.90 0.35 -4.73 1.22 3.02 0.62 -5.11 115.26 107.74 1goa n ASN 143 Ca 0.04 -2.78 -0.42 0.00 -0.03 0.00 0.00 54.58 51.39 1goa n ASN 143 Cb 0.49 -0.63 -0.03 0.00 -0.61 0.00 0.00 39.78 39.00 1goa n ASN 143 CO 0.00 0.00 0.00 -2.16 -2.62 0.00 0.00 177.26 172.48 1goa s PRO 144 N -1.53 4.28 0.00 3.52 0.04 -1.21 -4.54 135.00 135.56 1goa s PRO 144 Ca 0.36 2.24 0.00 0.00 0.04 0.00 0.00 61.00 63.64 1goa s PRO 144 Cb 0.22 -3.16 0.00 0.00 0.04 0.00 0.00 34.50 31.61 1goa s PRO 144 CO -0.10 -0.44 0.00 0.25 0.04 0.00 0.00 177.00 176.75 1goa n THR 145 N 3.04 0.00 -4.40 1.26 -2.24 -0.25 -4.82 114.28 106.87 1goa n THR 145 Ca 0.09 -0.29 -0.24 0.00 -2.27 0.00 0.00 64.05 61.34 1goa n THR 145 Cb 0.41 0.80 -0.09 0.00 -2.10 0.00 0.00 70.33 69.34 1goa n THR 145 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 1goa s LEU 146 N -2.27 2.83 -0.14 3.22 1.43 -0.95 -5.00 118.68 117.80 1goa s LEU 146 Ca 0.00 -0.88 -0.04 0.00 -1.03 0.00 0.00 54.13 52.18 1goa s LEU 146 Cb 0.00 -1.34 -0.03 0.00 0.03 0.00 0.00 46.19 44.85 1goa s LEU 146 CO 0.00 0.02 -0.01 -1.61 0.23 0.00 0.00 176.35 174.98 1goa s GLU 147 N -3.58 3.48 -0.72 1.70 8.01 -1.26 -0.70 118.70 125.64 1goa s GLU 147 Ca 0.31 -0.45 -0.16 0.00 0.01 0.00 0.00 54.97 54.68 1goa s GLU 147 Cb -0.05 -2.92 0.16 0.00 -4.31 0.00 0.00 34.13 27.01 1goa s GLU 147 CO 0.17 0.41 0.72 0.34 0.01 0.00 0.00 175.26 176.91 1goa s ASP 148 N -0.07 6.49 0.30 -0.19 3.68 -1.26 -4.95 116.67 120.66 1goa s ASP 148 Ca 0.03 -2.15 -0.02 0.00 2.13 0.00 0.00 52.55 52.54 1goa s ASP 148 Cb -0.13 -2.25 0.44 0.00 -1.45 0.00 0.00 42.92 39.53 1goa s ASP 148 CO 0.02 -0.80 1.97 0.71 0.13 0.00 0.00 175.17 177.20 1goa h THR 149 N 5.41 1.21 0.00 1.71 1.35 -1.96 -2.19 112.91 118.44 1goa h THR 149 Ca -0.07 -0.39 0.00 0.00 -0.55 0.00 0.00 66.41 65.40 1goa h THR 149 Cb 1.06 -0.02 0.00 0.00 -1.73 0.00 0.00 68.15 67.47 1goa h THR 149 CO 0.93 0.21 0.00 0.61 -0.25 0.00 0.00 175.52 177.02 1goa n GLY 150 N -1.41 -0.82 3.60 5.82 0.00 -1.26 -4.66 105.19 106.46 1goa n GLY 150 Ca 0.09 -0.15 -0.43 0.00 0.00 0.00 0.00 46.02 45.53 1goa n GLY 150 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1goa s TYR 151 N -2.06 2.53 -0.07 1.61 6.14 -0.83 -4.96 117.35 119.71 1goa s TYR 151 Ca 0.36 0.67 -0.15 0.00 0.64 0.00 0.00 57.07 58.60 1goa s TYR 151 Cb 0.17 -4.37 -0.05 0.00 0.42 0.00 0.00 41.96 38.13 1goa s TYR 151 CO 0.30 -1.74 0.38 -1.14 0.64 0.00 0.00 175.55 173.98 1goa s GLN 152 N 4.82 4.05 -0.06 4.97 2.00 -1.26 -5.02 119.66 129.16 1goa s GLN 152 Ca 0.56 0.31 -0.09 0.00 -2.00 0.00 0.00 55.36 54.14 1goa s GLN 152 Cb -0.11 -3.31 -0.05 0.00 0.80 0.00 0.00 33.01 30.34 1goa s GLN 152 CO 0.32 0.49 0.37 0.28 -0.50 0.00 0.00 175.29 176.25 1goa h VAL 153 N 4.16 0.00 0.00 1.34 2.07 -1.99 -3.45 116.25 118.38 1goa h VAL 153 Ca -0.47 -0.71 0.00 0.00 0.82 0.00 0.00 66.70 66.34 1goa h VAL 153 Cb 1.20 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 30.97 1goa h VAL 153 CO 0.67 0.00 0.00 1.21 0.02 0.00 0.00 177.57 179.47 1goa n GLU 154 N -4.80 0.00 0.00 1.57 4.07 -1.26 -5.19 120.64 115.03 1goa n GLU 154 Ca -0.04 0.00 0.15 0.00 -0.06 0.00 0.00 57.16 57.21 1goa n GLU 154 Cb 0.12 0.00 0.77 0.00 -0.06 0.00 0.00 31.44 32.27 1goa n GLU 154 CO 0.00 0.00 0.00 0.28 -0.06 0.00 0.00 177.13 177.35