#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1rnh n LYS 3 N 0.00 0.00 -2.04 1.96 4.81 -1.26 -5.14 118.16 116.49 1rnh n LYS 3 Ca 0.00 0.00 -0.32 0.00 -0.87 0.00 0.00 58.31 57.12 1rnh n LYS 3 Cb 0.00 0.00 0.01 0.00 0.02 0.00 0.00 35.03 35.06 1rnh n LYS 3 CO 0.00 0.00 0.00 -0.65 1.17 0.00 0.00 177.40 177.92 1rnh s GLN 4 N 0.00 3.39 -0.08 1.64 -0.21 -1.26 -4.21 119.66 118.92 1rnh s GLN 4 Ca 0.00 1.12 0.01 0.00 0.02 0.00 0.00 55.36 56.51 1rnh s GLN 4 Cb 0.00 -2.05 0.02 0.00 1.00 0.00 0.00 33.01 31.98 1rnh s GLN 4 CO 0.00 -0.75 -0.10 0.08 -2.12 0.00 0.00 175.29 172.40 1rnh s VAL 5 N -2.58 1.07 -0.22 1.09 1.01 -0.81 -4.54 120.40 115.43 1rnh s VAL 5 Ca 0.62 -0.39 -0.07 0.00 0.00 0.00 0.00 61.98 62.14 1rnh s VAL 5 Cb -0.15 -1.02 -0.04 0.00 0.00 0.00 0.00 36.38 35.17 1rnh s VAL 5 CO 0.39 0.36 0.07 -1.61 0.00 0.00 0.00 175.10 174.30 1rnh s GLU 6 N 1.11 3.82 -0.02 2.72 2.02 -0.93 -1.34 118.70 126.08 1rnh s GLU 6 Ca -0.06 -0.41 0.07 0.00 0.02 0.00 0.00 54.97 54.59 1rnh s GLU 6 Cb -0.14 -3.28 -0.02 0.00 0.10 0.00 0.00 34.13 30.79 1rnh s GLU 6 CO -0.02 0.05 -0.24 0.42 0.02 0.00 0.00 175.26 175.49 1rnh s ILE 7 N 0.99 1.92 -0.06 -1.63 1.01 0.12 -0.69 121.20 122.86 1rnh s ILE 7 Ca 0.04 -1.04 0.04 0.00 0.00 0.00 0.00 60.65 59.70 1rnh s ILE 7 Cb -0.14 -1.60 -0.00 0.00 0.01 0.00 0.00 42.46 40.73 1rnh s ILE 7 CO 0.03 0.54 -0.20 -0.36 0.00 0.00 0.00 174.94 174.96 1rnh s PHE 8 N -0.53 2.01 0.06 3.97 0.08 -0.32 -1.38 117.98 121.87 1rnh s PHE 8 Ca 0.08 -0.65 0.01 0.00 0.12 0.00 0.00 56.93 56.50 1rnh s PHE 8 Cb -0.10 -1.35 -0.03 0.00 -0.57 0.00 0.00 43.02 40.97 1rnh s PHE 8 CO -0.01 -0.23 -0.06 0.95 -0.10 0.00 0.00 175.22 175.77 1rnh s THR 9 N 0.11 0.51 -0.06 0.64 -4.23 -0.73 -1.66 115.64 110.23 1rnh s THR 9 Ca -0.08 -1.41 -0.30 0.00 -1.18 0.00 0.00 61.69 58.72 1rnh s THR 9 Cb -0.14 -1.01 0.08 0.00 1.34 0.00 0.00 72.50 72.77 1rnh s THR 9 CO 0.04 -0.62 0.72 -0.62 -0.54 0.00 0.00 174.62 173.61 1rnh s ASP 10 N -2.18 -0.61 0.00 3.99 3.68 -0.47 -4.54 116.67 116.54 1rnh s ASP 10 Ca -0.02 0.63 -0.13 0.00 2.13 0.00 0.00 52.55 55.17 1rnh s ASP 10 Cb -0.03 0.51 0.02 0.00 -1.45 0.00 0.00 42.92 41.96 1rnh s ASP 10 CO -0.02 -0.59 0.26 -0.83 0.13 0.00 0.00 175.17 174.12 1rnh s GLY 11 N -1.26 -0.09 0.17 2.66 0.00 -1.26 -1.19 107.32 106.35 1rnh s GLY 11 Ca -0.09 0.13 -0.24 0.00 0.00 0.00 0.00 44.72 44.52 1rnh s GLY 11 CO 0.08 -0.07 0.73 -1.35 0.00 0.00 0.00 173.10 172.49 1rnh s SER 12 N -1.51 -0.39 -0.17 1.64 1.04 0.13 -4.40 113.70 110.04 1rnh s SER 12 Ca -0.12 -0.24 0.01 0.00 0.48 0.00 0.00 55.95 56.09 1rnh s SER 12 Cb -0.05 0.59 0.02 0.00 0.10 0.00 0.00 66.02 66.68 1rnh s SER 12 CO 0.02 -1.02 -0.20 0.00 0.98 0.00 0.00 173.24 173.02 1rnh h LEU 14 N 7.77 -1.07 -9.03 0.00 -0.00 -1.63 -3.42 115.31 107.94 1rnh h LEU 14 Ca -0.42 0.09 -0.68 0.00 -0.00 0.00 0.00 57.88 56.87 1rnh h LEU 14 Cb 1.15 0.35 -0.20 0.00 -0.00 0.00 0.00 40.66 41.97 1rnh h LEU 14 CO 0.61 -0.51 -0.81 -0.83 -0.00 0.00 0.00 178.44 176.90 1rnh s GLY 15 N -1.84 1.64 -0.13 0.83 0.00 -1.26 -5.05 107.32 101.50 1rnh s GLY 15 Ca -0.13 -1.32 -0.01 0.00 0.00 0.00 0.00 44.72 43.26 1rnh s GLY 15 CO 0.45 -1.27 -0.03 0.21 0.00 0.00 0.00 173.10 172.47 1rnh s ASN 16 N -1.91 2.35 0.44 1.64 3.04 -1.26 -1.20 114.94 118.04 1rnh s ASN 16 Ca 0.16 -0.45 -0.24 0.00 0.04 0.00 0.00 52.86 52.38 1rnh s ASN 16 Cb -0.10 -0.71 -0.08 0.00 -1.54 0.00 0.00 41.25 38.82 1rnh s ASN 16 CO 0.08 -0.19 1.23 -2.16 -3.04 0.00 0.00 177.10 173.02 1rnh s PRO 17 N 1.78 3.80 0.00 0.43 0.04 -1.26 -5.05 135.00 134.74 1rnh s PRO 17 Ca 0.03 1.96 0.00 0.00 0.04 0.00 0.00 61.00 63.03 1rnh s PRO 17 Cb -0.14 -2.54 0.00 0.00 0.04 0.00 0.00 34.50 31.85 1rnh s PRO 17 CO -0.07 -0.57 0.00 0.41 0.04 0.00 0.00 177.00 176.80 1rnh n GLY 18 N 0.59 0.74 3.77 0.56 0.00 -0.34 -4.89 105.19 105.62 1rnh n GLY 18 Ca 0.06 -0.68 -0.41 0.00 0.00 0.00 0.00 46.02 44.99 1rnh n GLY 18 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 1rnh s PRO 19 N -0.08 4.24 0.28 1.61 0.02 -1.15 0.20 135.00 140.12 1rnh s PRO 19 Ca 0.00 2.30 -0.01 0.00 0.02 0.00 0.00 61.00 63.31 1rnh s PRO 19 Cb 0.00 -3.00 0.00 0.00 0.02 0.00 0.00 34.50 31.52 1rnh s PRO 19 CO 0.00 -0.32 0.39 0.41 -0.33 0.00 0.00 177.00 177.15 1rnh n GLY 20 N 0.69 2.35 3.82 0.52 0.00 -0.97 -1.59 105.19 110.02 1rnh n GLY 20 Ca 0.01 -1.59 -0.03 0.00 0.00 0.00 0.00 46.02 44.41 1rnh n GLY 20 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1rnh s GLY 21 N -2.77 -0.03 0.16 -0.02 0.00 0.20 -1.31 107.32 103.55 1rnh s GLY 21 Ca 0.24 -0.13 0.02 0.00 0.00 0.00 0.00 44.72 44.85 1rnh s GLY 21 CO 0.17 1.22 -0.00 -2.52 0.00 0.00 0.00 173.10 171.97 1rnh s TYR 22 N -2.64 1.16 -0.03 1.90 -0.85 -1.04 0.19 117.35 116.04 1rnh s TYR 22 Ca 0.17 -1.01 -0.02 0.00 -0.52 0.00 0.00 57.07 55.69 1rnh s TYR 22 Cb -0.02 -0.66 0.02 0.00 0.38 0.00 0.00 41.96 41.68 1rnh s TYR 22 CO 0.04 -0.22 0.08 0.20 -1.52 0.00 0.00 175.55 174.14 1rnh s GLY 23 N -3.15 -0.02 -0.07 5.49 0.00 -0.33 -3.41 107.32 105.83 1rnh s GLY 23 Ca 0.22 0.34 -0.05 0.00 0.00 0.00 0.00 44.72 45.23 1rnh s GLY 23 CO 0.03 0.46 0.17 0.00 0.00 0.00 0.00 173.10 173.76 1rnh s ALA 24 N 0.49 -0.38 -0.14 3.20 0.00 -0.63 -1.37 121.76 122.93 1rnh s ALA 24 Ca -0.04 0.64 0.02 0.00 0.00 0.00 0.00 51.96 52.58 1rnh s ALA 24 Cb -0.05 -0.40 0.01 0.00 0.00 0.00 0.00 23.12 22.67 1rnh s ALA 24 CO -0.02 -0.13 -0.21 0.42 0.00 0.00 0.00 175.76 175.83 1rnh s ILE 25 N 0.68 2.21 -0.19 0.00 1.01 -0.66 -0.60 121.20 123.64 1rnh s ILE 25 Ca -0.05 -0.93 -0.02 0.00 0.00 0.00 0.00 60.65 59.65 1rnh s ILE 25 Cb -0.06 -1.89 -0.00 0.00 0.01 0.00 0.00 42.46 40.51 1rnh s ILE 25 CO -0.04 0.54 -0.09 -0.22 0.00 0.00 0.00 174.94 175.14 1rnh s LEU 26 N 0.78 2.71 -0.38 2.97 0.20 0.12 -1.17 118.68 123.90 1rnh s LEU 26 Ca -0.08 -0.43 -0.04 0.00 0.69 0.00 0.00 54.13 54.27 1rnh s LEU 26 Cb -0.16 -1.66 0.08 0.00 -0.43 0.00 0.00 46.19 44.02 1rnh s LEU 26 CO -0.01 0.02 0.16 -0.13 -0.29 0.00 0.00 176.35 176.11 1rnh s ARG 27 N 1.22 2.29 -0.26 1.98 0.52 0.13 -0.40 118.95 124.44 1rnh s ARG 27 Ca 0.02 -1.56 -0.01 0.00 -0.52 0.00 0.00 55.73 53.66 1rnh s ARG 27 Cb -0.14 -3.53 0.08 0.00 0.52 0.00 0.00 34.95 31.88 1rnh s ARG 27 CO -0.03 -0.91 0.05 -0.47 0.02 0.00 0.00 175.30 173.95 1rnh s TYR 28 N 1.25 1.68 -0.27 -0.53 5.04 -0.85 -2.19 117.35 121.49 1rnh s TYR 28 Ca 0.03 -1.49 -0.00 0.00 -2.44 0.00 0.00 57.07 53.17 1rnh s TYR 28 Cb -0.22 -1.50 0.00 0.00 0.35 0.00 0.00 41.96 40.59 1rnh s TYR 28 CO -0.01 -0.77 0.22 -2.13 -1.34 0.00 0.00 175.55 171.52 1rnh n ARG 29 N 4.86 -1.47 -4.18 4.97 0.00 -1.26 -3.91 116.66 115.67 1rnh n ARG 29 Ca -0.06 0.19 -0.34 0.00 -0.00 0.00 0.00 57.85 57.64 1rnh n ARG 29 Cb 0.44 -3.24 -0.03 0.00 0.00 0.00 0.00 32.46 29.63 1rnh n ARG 29 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 1rnh n GLY 30 N -1.02 -0.38 2.85 5.14 0.00 -1.26 -4.93 105.19 105.59 1rnh n GLY 30 Ca -0.06 0.14 -0.17 0.00 0.00 0.00 0.00 46.02 45.93 1rnh n GLY 30 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1rnh s ARG 31 N -6.89 0.06 0.10 1.61 3.00 -1.25 -5.15 118.95 110.44 1rnh s ARG 31 Ca 0.54 0.55 -0.13 0.00 -1.00 0.00 0.00 55.73 55.69 1rnh s ARG 31 Cb -0.30 -0.35 -0.06 0.00 0.00 0.00 0.00 34.95 34.24 1rnh s ARG 31 CO 0.93 -0.34 0.49 -1.21 0.00 0.00 0.00 175.30 175.16 1rnh s GLU 32 N 2.31 3.92 -0.04 5.12 2.02 -1.26 -2.01 118.70 128.76 1rnh s GLU 32 Ca 0.03 0.40 0.03 0.00 0.02 0.00 0.00 54.97 55.45 1rnh s GLU 32 Cb -0.12 -3.01 0.00 0.00 0.10 0.00 0.00 34.13 31.10 1rnh s GLU 32 CO -0.07 0.54 -0.13 0.15 0.02 0.00 0.00 175.26 175.78 1rnh s LYS 33 N -1.78 1.39 -0.05 1.61 1.02 0.47 -4.98 119.74 117.42 1rnh s LYS 33 Ca 0.34 -0.43 0.06 0.00 0.02 0.00 0.00 55.97 55.95 1rnh s LYS 33 Cb -0.15 -1.23 -0.02 0.00 -0.52 0.00 0.00 37.83 35.91 1rnh s LYS 33 CO 0.18 0.15 -0.22 0.99 -0.92 0.00 0.00 175.35 175.53 1rnh s THR 34 N 0.22 2.35 -0.07 2.17 2.01 -1.26 0.11 115.64 121.17 1rnh s THR 34 Ca -0.05 -0.97 0.04 0.00 0.31 0.00 0.00 61.69 61.01 1rnh s THR 34 Cb -0.11 -1.87 -0.00 0.00 0.01 0.00 0.00 72.50 70.53 1rnh s THR 34 CO 0.02 0.57 -0.20 -0.36 -0.69 0.00 0.00 174.62 173.96 1rnh s PHE 35 N -0.35 2.05 -0.10 4.92 0.08 0.23 -5.01 117.98 119.81 1rnh s PHE 35 Ca 0.02 -0.72 -0.17 0.00 0.12 0.00 0.00 56.93 56.18 1rnh s PHE 35 Cb -0.12 -1.39 0.04 0.00 -0.57 0.00 0.00 43.02 40.98 1rnh s PHE 35 CO 0.02 -0.28 0.43 0.45 -0.10 0.00 0.00 175.22 175.74 1rnh s SER 36 N 0.23 -0.40 -0.05 1.36 0.15 -1.26 -1.60 113.70 112.13 1rnh s SER 36 Ca -0.11 0.60 -0.31 0.00 0.70 0.00 0.00 55.95 56.83 1rnh s SER 36 Cb -0.15 0.66 0.07 0.00 -1.71 0.00 0.00 66.02 64.89 1rnh s SER 36 CO 0.05 -0.32 0.70 0.00 1.20 0.00 0.00 173.24 174.87 1rnh s ALA 37 N -0.49 -1.77 -0.00 5.45 0.00 -1.22 -5.02 121.76 118.71 1rnh s ALA 37 Ca -0.06 1.30 0.07 0.00 0.00 0.00 0.00 51.96 53.27 1rnh s ALA 37 Cb -0.03 -0.01 -0.03 0.00 0.00 0.00 0.00 23.12 23.05 1rnh s ALA 37 CO 0.03 -0.38 -0.22 0.20 0.00 0.00 0.00 175.76 175.39 1rnh s GLY 38 N -1.24 1.42 -0.02 0.00 0.00 -1.25 -2.50 107.32 103.73 1rnh s GLY 38 Ca -0.10 -1.13 0.07 0.00 0.00 0.00 0.00 44.72 43.56 1rnh s GLY 38 CO 0.09 -0.97 -0.24 -0.19 0.00 0.00 0.00 173.10 171.79 1rnh s TYR 39 N -0.74 2.40 0.27 1.90 2.02 -0.43 -1.05 117.35 121.73 1rnh s TYR 39 Ca 0.12 -0.38 -0.03 0.00 -0.37 0.00 0.00 57.07 56.41 1rnh s TYR 39 Cb -0.10 -1.51 0.36 0.00 -0.40 0.00 0.00 41.96 40.31 1rnh s TYR 39 CO 0.01 0.03 1.86 1.79 -1.57 0.00 0.00 175.55 177.67 1rnh h THR 40 N 4.42 1.23 -1.87 -0.71 1.35 -1.26 -2.57 112.91 113.50 1rnh h THR 40 Ca -0.44 -0.69 -0.05 0.00 -0.55 0.00 0.00 66.41 64.68 1rnh h THR 40 Cb 1.13 0.40 -0.26 0.00 -1.73 0.00 0.00 68.15 67.69 1rnh h THR 40 CO 0.47 0.28 -0.35 -0.60 -0.25 0.00 0.00 175.52 175.07 1rnh s ARG 41 N -5.49 0.42 0.00 4.72 3.52 -1.26 -2.95 118.95 117.91 1rnh s ARG 41 Ca -0.11 0.90 0.00 0.00 -0.13 0.00 0.00 55.73 56.39 1rnh s ARG 41 Cb 0.16 0.16 0.00 0.00 -1.56 0.00 0.00 34.95 33.71 1rnh s ARG 41 CO 0.81 -0.47 0.00 -2.37 -0.81 0.00 0.00 175.30 172.45 1rnh n THR 42 N 5.40 0.00 -4.39 4.11 5.66 0.13 -4.46 114.28 120.73 1rnh n THR 42 Ca -0.05 0.00 -0.19 0.00 -3.05 0.00 0.00 64.05 60.75 1rnh n THR 42 Cb 0.50 0.00 -0.10 0.00 -1.55 0.00 0.00 70.33 69.18 1rnh n THR 42 CO 0.00 0.00 0.00 0.42 -3.05 0.00 0.00 175.07 172.44 1rnh s THR 43 N -2.47 1.03 0.06 1.09 -4.23 -1.26 -1.47 115.64 108.39 1rnh s THR 43 Ca 0.00 -2.02 -0.25 0.00 -1.18 0.00 0.00 61.69 58.25 1rnh s THR 43 Cb 0.00 -2.62 -0.17 0.00 1.34 0.00 0.00 72.50 71.05 1rnh s THR 43 CO 0.00 -0.10 1.58 -1.13 -0.54 0.00 0.00 174.62 174.43 1rnh h ASN 44 N 2.28 -0.12 -0.57 3.99 -0.73 -1.93 -3.13 115.58 115.37 1rnh h ASN 44 Ca -0.39 -0.11 0.04 0.00 1.87 0.00 0.00 56.30 57.70 1rnh h ASN 44 Cb 1.24 0.03 -0.04 0.00 0.27 0.00 0.00 38.32 39.82 1rnh h ASN 44 CO 0.66 0.04 0.33 0.78 -0.37 0.00 0.00 177.43 178.87 1rnh h ASN 45 N -0.27 0.52 0.00 1.15 -0.26 -1.97 -1.77 115.58 112.98 1rnh h ASN 45 Ca -0.01 0.01 0.00 0.00 -0.56 0.00 0.00 56.30 55.74 1rnh h ASN 45 Cb 0.22 -0.09 0.00 0.00 -1.06 0.00 0.00 38.32 37.39 1rnh h ASN 45 CO 0.02 0.36 0.00 0.54 -1.06 0.00 0.00 177.43 177.29 1rnh n ARG 46 N -4.79 0.27 0.00 0.81 1.74 -1.18 -2.12 116.66 111.38 1rnh n ARG 46 Ca 0.05 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.13 1rnh n ARG 46 Cb 0.11 -1.28 0.00 0.00 -1.02 0.00 0.00 32.46 30.27 1rnh n ARG 46 CO 0.00 0.00 0.00 0.39 -1.52 0.00 0.00 177.63 176.50 1rnh n GLU 48 N 0.68 0.00 0.00 5.56 1.02 -0.67 -4.65 120.64 122.59 1rnh n GLU 48 Ca 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.14 1rnh n GLU 48 Cb 0.11 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.53 1rnh n GLU 48 CO 0.00 0.00 0.00 -0.11 1.18 0.00 0.00 177.13 178.20 1rnh n LEU 49 N 0.00 1.70 0.00 -4.62 7.94 -0.90 -3.79 117.00 117.33 1rnh n LEU 49 Ca 0.00 -0.85 0.00 0.00 -1.11 0.00 0.00 56.01 54.05 1rnh n LEU 49 Cb 0.00 -0.32 0.00 0.00 0.53 0.00 0.00 43.42 43.63 1rnh n LEU 49 CO 0.00 0.29 0.00 0.00 -1.11 0.00 0.00 177.39 176.57 1rnh n ALA 51 N 0.59 0.00 0.02 1.96 0.00 -1.26 -1.90 120.51 119.93 1rnh n ALA 51 Ca 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 53.44 53.36 1rnh n ALA 51 Cb 0.29 0.00 0.08 0.00 0.00 0.00 0.00 19.45 19.82 1rnh n ALA 51 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1rnh h ALA 52 N 0.00 0.74 0.39 0.00 0.00 -1.93 -2.56 119.26 115.91 1rnh h ALA 52 Ca 0.00 -0.51 -0.02 0.00 0.00 0.00 0.00 54.91 54.38 1rnh h ALA 52 Cb 0.00 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.71 1rnh h ALA 52 CO 0.00 0.69 -0.19 0.82 0.00 0.00 0.00 179.25 180.58 1rnh h ILE 53 N 0.37 0.59 -0.56 0.00 2.04 -1.71 -2.67 117.51 115.57 1rnh h ILE 53 Ca 0.01 -0.40 0.11 0.00 1.00 0.00 0.00 64.86 65.57 1rnh h ILE 53 Cb 1.09 0.79 -0.09 0.00 -0.74 0.00 0.00 36.82 37.86 1rnh h ILE 53 CO 0.10 0.07 0.03 0.58 0.00 0.00 0.00 178.15 178.93 1rnh h VAL 54 N -0.76 0.57 -0.05 1.67 2.07 -1.84 -0.77 116.25 117.14 1rnh h VAL 54 Ca -0.05 -0.05 -0.01 0.00 0.82 0.00 0.00 66.70 67.41 1rnh h VAL 54 Cb 0.52 0.41 -0.00 0.00 -1.52 0.00 0.00 31.29 30.70 1rnh h VAL 54 CO 0.09 0.03 0.00 0.00 0.02 0.00 0.00 177.57 177.71 1rnh h ALA 55 N 1.50 0.07 -0.74 1.67 0.00 -1.43 -2.84 119.26 117.49 1rnh h ALA 55 Ca 0.29 -0.16 -0.01 0.00 0.00 0.00 0.00 54.91 55.03 1rnh h ALA 55 Cb 0.45 -0.02 -0.04 0.00 0.00 0.00 0.00 17.79 18.19 1rnh h ALA 55 CO -0.46 -0.28 0.41 -0.07 0.00 0.00 0.00 179.25 178.86 1rnh h LEU 56 N -0.19 0.92 -2.48 0.00 3.38 -1.26 -2.81 115.31 112.87 1rnh h LEU 56 Ca 0.01 -0.09 -0.00 0.00 0.09 0.00 0.00 57.88 57.89 1rnh h LEU 56 Cb 0.31 -0.23 -0.00 0.00 0.09 0.00 0.00 40.66 40.82 1rnh h LEU 56 CO 0.00 0.75 -0.02 -0.33 0.09 0.00 0.00 178.44 178.93 1rnh h GLU 57 N 1.02 0.00 0.00 1.13 5.08 -1.10 -2.19 114.58 118.52 1rnh h GLU 57 Ca 0.26 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.62 1rnh h GLU 57 Cb 0.02 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.27 1rnh h GLU 57 CO -0.04 0.02 -0.06 0.00 -1.00 0.00 0.00 179.01 177.93 1rnh n ALA 58 N -2.15 2.42 -2.61 3.43 0.00 -1.06 -4.69 120.51 115.85 1rnh n ALA 58 Ca -0.02 -0.10 -0.43 0.00 0.00 0.00 0.00 53.44 52.89 1rnh n ALA 58 Cb 0.14 -1.44 -0.04 0.00 0.00 0.00 0.00 19.45 18.12 1rnh n ALA 58 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1rnh s LEU 59 N -3.46 3.98 -0.48 0.00 1.43 -0.83 -4.92 118.68 114.41 1rnh s LEU 59 Ca 0.13 0.65 -0.00 0.00 -1.03 0.00 0.00 54.13 53.87 1rnh s LEU 59 Cb 0.17 -3.30 0.39 0.00 0.03 0.00 0.00 46.19 43.48 1rnh s LEU 59 CO 0.57 -0.85 1.95 0.29 0.23 0.00 0.00 176.35 178.54 1rnh n LYS 60 N 6.77 2.23 -3.64 1.70 5.02 -1.26 -4.86 118.16 124.12 1rnh n LYS 60 Ca 0.08 -2.50 -0.02 0.00 -2.02 0.00 0.00 58.31 53.85 1rnh n LYS 60 Cb 0.48 -1.98 -0.04 0.00 -0.02 0.00 0.00 35.03 33.47 1rnh n LYS 60 CO 0.00 0.00 0.00 -1.83 -0.52 0.00 0.00 177.40 175.05 1rnh s GLU 61 N -2.87 0.08 -0.11 1.97 -1.05 -1.26 -5.14 118.70 110.32 1rnh s GLU 61 Ca 0.49 0.02 -0.29 0.00 -0.15 0.00 0.00 54.97 55.04 1rnh s GLU 61 Cb 0.39 0.04 -0.06 0.00 -0.44 0.00 0.00 34.13 34.05 1rnh s GLU 61 CO 0.01 -0.02 2.05 -1.01 0.95 0.00 0.00 175.26 177.24 1rnh s HIS 62 N -0.97 1.30 0.28 4.83 3.76 -1.26 -4.99 115.29 118.24 1rnh s HIS 62 Ca 0.08 0.11 0.04 0.00 -0.15 0.00 0.00 55.06 55.15 1rnh s HIS 62 Cb -0.01 -4.07 -0.06 0.00 1.11 0.00 0.00 32.58 29.55 1rnh s HIS 62 CO -0.08 -4.61 0.01 0.00 -0.85 0.00 0.00 174.74 169.22 1rnh s GLU 64 N -3.85 3.27 0.04 0.00 2.02 -1.26 -0.31 118.70 118.62 1rnh s GLU 64 Ca 0.32 -0.59 0.08 0.00 0.02 0.00 0.00 54.97 54.80 1rnh s GLU 64 Cb 0.07 -3.91 -0.03 0.00 0.10 0.00 0.00 34.13 30.35 1rnh s GLU 64 CO 0.12 -0.77 -0.21 0.08 0.02 0.00 0.00 175.26 174.50 1rnh s VAL 65 N 2.20 2.60 -0.29 2.63 1.01 0.77 -1.92 120.40 127.40 1rnh s VAL 65 Ca 0.14 -1.26 -0.01 0.00 0.00 0.00 0.00 61.98 60.85 1rnh s VAL 65 Cb -0.16 -2.08 0.05 0.00 0.00 0.00 0.00 36.38 34.19 1rnh s VAL 65 CO 0.14 0.34 -0.02 -0.63 0.00 0.00 0.00 175.10 174.92 1rnh s ILE 66 N -0.90 2.85 -0.16 2.22 1.01 -0.45 -0.62 121.20 125.15 1rnh s ILE 66 Ca 0.14 -1.42 -0.02 0.00 0.00 0.00 0.00 60.65 59.35 1rnh s ILE 66 Cb -0.10 -2.64 -0.01 0.00 0.01 0.00 0.00 42.46 39.71 1rnh s ILE 66 CO 0.04 -0.09 -0.10 -0.22 0.00 0.00 0.00 174.94 174.58 1rnh s LEU 67 N 1.23 2.82 -0.19 2.97 0.20 0.62 -0.71 118.68 125.62 1rnh s LEU 67 Ca -0.06 -0.33 -0.01 0.00 0.69 0.00 0.00 54.13 54.42 1rnh s LEU 67 Cb -0.20 -1.67 -0.00 0.00 -0.43 0.00 0.00 46.19 43.90 1rnh s LEU 67 CO -0.02 0.11 -0.11 -0.55 -0.29 0.00 0.00 176.35 175.49 1rnh s SER 68 N 0.69 3.85 0.02 3.68 0.15 -0.48 0.50 113.70 122.10 1rnh s SER 68 Ca -0.05 -0.46 -0.20 0.00 0.70 0.00 0.00 55.95 55.94 1rnh s SER 68 Cb -0.15 -1.63 0.04 0.00 -1.71 0.00 0.00 66.02 62.57 1rnh s SER 68 CO 0.02 0.03 0.44 0.28 1.20 0.00 0.00 173.24 175.21 1rnh s THR 69 N 1.18 0.04 -0.95 6.45 -1.32 -0.64 -1.77 115.64 118.63 1rnh s THR 69 Ca 0.02 -0.37 0.16 0.00 -1.21 0.00 0.00 61.69 60.29 1rnh s THR 69 Cb -0.14 -0.88 0.53 0.00 -1.51 0.00 0.00 72.50 70.50 1rnh s THR 69 CO -0.04 -0.20 1.45 -0.90 -2.21 0.00 0.00 174.62 172.71 1rnh n ASP 70 N 0.74 3.87 -4.65 8.08 5.75 -1.26 -1.50 116.55 127.58 1rnh n ASP 70 Ca -0.19 -2.36 -0.43 0.00 -0.01 0.00 0.00 54.79 51.80 1rnh n ASP 70 Cb 0.58 -0.44 -0.02 0.00 -1.03 0.00 0.00 41.12 40.21 1rnh n ASP 70 CO 0.00 0.00 0.00 -0.55 -0.11 0.00 0.00 177.20 176.54 1rnh s SER 71 N -1.16 6.92 0.28 -1.12 0.15 -1.26 -4.91 113.70 112.60 1rnh s SER 71 Ca 0.39 1.32 0.04 0.00 0.70 0.00 0.00 55.95 58.41 1rnh s SER 71 Cb 0.25 -2.54 0.40 0.00 -1.71 0.00 0.00 66.02 62.42 1rnh s SER 71 CO 0.19 -0.84 1.68 -0.61 1.20 0.00 0.00 173.24 174.86 1rnh h GLN 72 N 8.21 0.34 -0.16 5.44 4.15 -1.96 -2.01 115.11 129.12 1rnh h GLN 72 Ca -0.23 -0.16 -0.02 0.00 0.77 0.00 0.00 58.65 59.01 1rnh h GLN 72 Cb 1.08 -0.00 -0.01 0.00 0.21 0.00 0.00 27.48 28.76 1rnh h GLN 72 CO 1.00 0.68 0.01 -0.92 -1.93 0.00 0.00 178.83 177.68 1rnh h TYR 73 N 0.29 0.30 -0.19 3.99 3.20 -1.98 0.54 116.97 123.12 1rnh h TYR 73 Ca 0.03 -0.05 -0.04 0.00 3.14 0.00 0.00 58.73 61.81 1rnh h TYR 73 Cb 0.82 -0.08 -0.01 0.00 1.54 0.00 0.00 36.73 39.00 1rnh h TYR 73 CO 0.02 0.48 -0.03 0.28 -1.64 0.00 0.00 178.16 177.27 1rnh h VAL 74 N 0.04 1.28 -0.42 1.81 2.07 -1.92 -1.76 116.25 117.35 1rnh h VAL 74 Ca 0.05 -0.98 0.06 0.00 0.82 0.00 0.00 66.70 66.66 1rnh h VAL 74 Cb 0.35 1.54 -0.06 0.00 -1.52 0.00 0.00 31.29 31.61 1rnh h VAL 74 CO 0.01 0.29 0.09 -0.09 0.02 0.00 0.00 177.57 177.89 1rnh h ARG 75 N 0.08 0.22 -0.34 1.57 2.43 -1.34 -0.26 114.38 116.75 1rnh h ARG 75 Ca 0.05 -0.01 -0.10 0.00 -0.81 0.00 0.00 59.98 59.10 1rnh h ARG 75 Cb 0.46 -0.05 -0.01 0.00 -0.42 0.00 0.00 29.97 29.95 1rnh h ARG 75 CO 0.02 0.15 -0.19 1.96 -1.51 0.00 0.00 179.97 180.39 1rnh h GLN 76 N 0.23 0.73 -0.09 0.20 1.08 -0.86 -1.46 115.11 114.93 1rnh h GLN 76 Ca 0.20 -0.33 -0.00 0.00 -1.45 0.00 0.00 58.65 57.07 1rnh h GLN 76 Cb 0.24 -0.01 -0.00 0.00 -0.05 0.00 0.00 27.48 27.65 1rnh h GLN 76 CO -0.25 0.94 0.06 0.78 -0.95 0.00 0.00 178.83 179.40 1rnh h GLY 77 N 0.50 0.14 0.94 3.46 0.00 -1.05 0.13 103.07 107.19 1rnh h GLY 77 Ca 0.07 -0.06 -0.02 0.00 0.00 0.00 0.00 47.33 47.32 1rnh h GLY 77 CO 0.06 0.06 -0.27 -2.22 0.00 0.00 0.00 176.54 174.17 1rnh h ILE 78 N 0.08 0.45 0.00 2.60 1.08 -1.03 0.14 117.51 120.84 1rnh h ILE 78 Ca 0.03 0.00 -0.13 0.00 -0.39 0.00 0.00 64.86 64.38 1rnh h ILE 78 Cb 0.05 0.45 -0.02 0.00 -3.07 0.00 0.00 36.82 34.23 1rnh h ILE 78 CO -0.01 0.00 -0.73 0.71 -0.69 0.00 0.00 178.15 177.44 1rnh h THR 79 N -0.70 0.85 0.00 -0.27 1.35 -1.27 -3.43 112.91 109.44 1rnh h THR 79 Ca -0.06 -2.26 0.00 0.00 -0.55 0.00 0.00 66.41 63.54 1rnh h THR 79 Cb 0.56 2.37 0.00 0.00 -1.73 0.00 0.00 68.15 69.35 1rnh h THR 79 CO 0.08 0.48 -0.83 0.00 -0.25 0.00 0.00 175.52 175.01 1rnh n GLN 80 N -3.16 0.00 -0.03 4.72 1.13 0.43 -4.98 117.38 115.49 1rnh n GLN 80 Ca -0.01 0.00 -0.20 0.00 -1.94 0.00 0.00 57.00 54.86 1rnh n GLN 80 Cb 0.77 -0.69 -0.14 0.00 0.11 0.00 0.00 30.24 30.29 1rnh n GLN 80 CO 0.00 0.00 0.00 0.91 -1.44 0.00 0.00 177.06 176.53 1rnh n TRP 81 N -2.59 0.93 -0.12 1.08 5.03 -0.98 -4.60 117.44 116.18 1rnh n TRP 81 Ca 0.00 0.20 -0.06 0.00 3.03 0.00 0.00 57.50 60.68 1rnh n TRP 81 Cb 0.41 -1.12 0.01 0.00 -1.03 0.00 0.00 31.31 29.58 1rnh n TRP 81 CO 0.00 0.00 0.00 0.97 -0.03 0.00 0.00 177.69 178.63 1rnh h ILE 82 N 0.05 0.34 -0.85 -0.99 6.09 -0.99 0.19 117.51 121.37 1rnh h ILE 82 Ca -0.46 0.00 0.16 0.00 -1.37 0.00 0.00 64.86 63.19 1rnh h ILE 82 Cb 2.01 0.34 -0.10 0.00 0.47 0.00 0.00 36.82 39.54 1rnh h ILE 82 CO 0.05 0.00 0.42 1.12 -3.07 0.00 0.00 178.15 176.66 1rnh h HIS 83 N -0.16 0.72 0.06 2.19 2.07 -1.82 -1.84 115.15 116.37 1rnh h HIS 83 Ca 0.20 0.04 -0.28 0.00 -2.85 0.00 0.00 60.37 57.47 1rnh h HIS 83 Cb 0.47 -0.19 0.02 0.00 2.57 0.00 0.00 27.41 30.28 1rnh h HIS 83 CO -0.48 0.14 -1.14 -0.91 -3.07 0.00 0.00 177.93 172.47 1rnh h ASN 84 N 0.57 0.86 -0.86 3.10 -0.26 -1.68 -3.10 115.58 114.21 1rnh h ASN 84 Ca 0.47 -0.75 0.07 0.00 -0.56 0.00 0.00 56.30 55.54 1rnh h ASN 84 Cb 0.71 -0.27 -0.07 0.00 -1.06 0.00 0.00 38.32 37.63 1rnh h ASN 84 CO -0.39 1.55 0.52 -0.50 -1.06 0.00 0.00 177.43 177.56 1rnh h TRP 85 N 0.32 0.96 -0.69 1.19 6.55 -0.20 -1.64 115.95 122.45 1rnh h TRP 85 Ca -0.16 0.03 -0.05 0.00 0.95 0.00 0.00 58.89 59.67 1rnh h TRP 85 Cb 1.81 -0.31 -0.03 0.00 -0.86 0.00 0.00 29.16 29.77 1rnh h TRP 85 CO 0.10 0.46 0.25 0.87 -1.05 0.00 0.00 178.44 179.07 1rnh h LYS 86 N 0.93 1.05 -0.32 0.49 1.57 -1.37 0.46 116.57 119.38 1rnh h LYS 86 Ca 0.39 -0.21 -0.03 0.00 -1.87 0.00 0.00 60.65 58.93 1rnh h LYS 86 Cb 0.24 -0.16 -0.02 0.00 0.08 0.00 0.00 32.23 32.37 1rnh h LYS 86 CO -0.20 0.89 0.08 0.87 -0.57 0.00 0.00 179.45 180.52 1rnh h LYS 87 N 0.99 0.46 -0.51 3.15 1.57 -1.34 -2.57 116.57 118.31 1rnh h LYS 87 Ca 0.23 -0.07 0.00 0.00 -1.87 0.00 0.00 60.65 58.94 1rnh h LYS 87 Cb 0.25 -0.08 0.00 0.00 0.08 0.00 0.00 32.23 32.48 1rnh h LYS 87 CO -0.01 0.43 0.00 0.54 -0.57 0.00 0.00 179.45 179.83 1rnh n ARG 88 N -4.36 2.29 -1.89 3.15 1.74 -0.67 -4.93 116.66 111.99 1rnh n ARG 88 Ca 0.01 -1.58 -0.12 0.00 -0.77 0.00 0.00 57.85 55.40 1rnh n ARG 88 Cb 0.17 -1.48 -0.02 0.00 -1.02 0.00 0.00 32.46 30.11 1rnh n ARG 88 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1rnh n GLY 89 N 0.96 0.43 3.30 -0.13 0.00 -0.97 -3.29 105.19 105.49 1rnh n GLY 89 Ca 0.14 -0.41 -0.21 0.00 0.00 0.00 0.00 46.02 45.54 1rnh n GLY 89 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 1rnh n TRP 90 N -3.48 -2.48 -4.22 1.61 7.02 0.16 -4.99 117.44 111.05 1rnh n TRP 90 Ca -0.13 0.87 -0.15 0.00 -1.02 0.00 0.00 57.50 57.07 1rnh n TRP 90 Cb 0.53 -4.49 -0.10 0.00 -2.42 0.00 0.00 31.31 24.83 1rnh n TRP 90 CO 0.00 0.00 0.00 0.15 -2.02 0.00 0.00 177.69 175.82 1rnh s LYS 91 N -6.13 0.97 0.26 -0.99 1.02 -1.21 -1.29 119.74 112.37 1rnh s LYS 91 Ca 0.50 -1.31 -0.01 0.00 0.02 0.00 0.00 55.97 55.17 1rnh s LYS 91 Cb -0.22 -0.61 0.05 0.00 -0.52 0.00 0.00 37.83 36.53 1rnh s LYS 91 CO 0.62 0.09 0.36 0.25 -0.92 0.00 0.00 175.35 175.75 1rnh n THR 92 N 0.19 0.00 0.30 2.17 -2.24 0.16 -4.81 114.28 110.04 1rnh n THR 92 Ca -0.13 -0.49 0.17 0.00 -2.27 0.00 0.00 64.05 61.33 1rnh n THR 92 Cb 0.59 -1.33 0.94 0.00 -2.10 0.00 0.00 70.33 68.43 1rnh n THR 92 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1rnh h ALA 93 N -0.77 1.23 -0.29 6.98 0.00 -1.99 0.11 119.26 124.52 1rnh h ALA 93 Ca -0.12 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.76 1rnh h ALA 93 Cb 0.41 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.19 1rnh h ALA 93 CO 0.12 0.04 0.00 -0.40 0.00 0.00 0.00 179.25 179.01 1rnh n ASP 94 N -3.46 2.08 -0.85 0.00 5.75 -1.26 -4.92 116.55 113.89 1rnh n ASP 94 Ca -0.02 -1.86 -0.11 0.00 -0.01 0.00 0.00 54.79 52.79 1rnh n ASP 94 Cb 0.14 -0.19 -0.05 0.00 -1.03 0.00 0.00 41.12 40.00 1rnh n ASP 94 CO 0.00 0.00 0.00 0.29 -0.11 0.00 0.00 177.20 177.38 1rnh n LYS 95 N 0.60 -0.78 -3.60 0.11 4.76 0.38 -5.01 118.16 114.62 1rnh n LYS 95 Ca 0.15 0.89 -0.30 0.00 -2.87 0.00 0.00 58.31 56.18 1rnh n LYS 95 Cb 0.37 -4.86 -0.04 0.00 -1.84 0.00 0.00 35.03 28.65 1rnh n LYS 95 CO 0.00 0.00 0.00 0.15 -1.37 0.00 0.00 177.40 176.18 1rnh s LYS 96 N -2.94 3.62 0.34 1.97 1.02 -1.26 -4.80 119.74 117.69 1rnh s LYS 96 Ca 0.00 -0.09 -0.28 0.00 0.02 0.00 0.00 55.97 55.62 1rnh s LYS 96 Cb 0.00 -2.79 -0.12 0.00 -0.52 0.00 0.00 37.83 34.40 1rnh s LYS 96 CO 0.00 0.40 1.37 -2.30 -0.92 0.00 0.00 175.35 173.90 1rnh n PRO 97 N -0.25 2.28 -1.74 -1.68 -0.02 -1.26 -0.67 135.00 131.66 1rnh n PRO 97 Ca -0.02 0.80 -0.39 0.00 -2.02 0.00 0.00 63.50 61.87 1rnh n PRO 97 Cb 0.53 -2.44 0.04 0.00 -0.02 0.00 0.00 33.50 31.61 1rnh n PRO 97 CO 0.00 0.00 0.00 0.28 1.98 0.00 0.00 175.50 177.76 1rnh n VAL 98 N 0.66 3.73 -1.72 -1.45 0.31 -0.41 -4.73 118.33 114.71 1rnh n VAL 98 Ca 0.05 -0.50 -0.42 0.00 -0.01 0.00 0.00 64.34 63.46 1rnh n VAL 98 Cb 0.36 -1.65 -0.03 0.00 -0.91 0.00 0.00 33.84 31.61 1rnh n VAL 98 CO 0.00 0.00 0.00 -0.75 -1.32 0.00 0.00 176.83 174.76 1rnh s LYS 99 N -2.83 4.12 -1.32 5.55 2.47 -1.26 -2.06 119.74 124.42 1rnh s LYS 99 Ca 0.71 2.62 -0.06 0.00 -1.56 0.00 0.00 55.97 57.68 1rnh s LYS 99 Cb -0.42 -3.15 0.01 0.00 -1.46 0.00 0.00 37.83 32.80 1rnh s LYS 99 CO 0.50 -0.77 0.80 0.09 0.16 0.00 0.00 175.35 176.12 1rnh n ASN 100 N 4.26 -5.83 -0.21 1.43 5.03 -1.26 -4.90 115.26 113.78 1rnh n ASN 100 Ca 0.16 -0.37 0.04 0.00 0.87 0.00 0.00 54.58 55.29 1rnh n ASN 100 Cb 0.35 -4.55 0.30 0.00 -1.02 0.00 0.00 39.78 34.86 1rnh n ASN 100 CO 0.00 0.00 0.00 1.62 -1.83 0.00 0.00 177.26 177.05 1rnh h VAL 101 N -1.83 1.09 -0.60 2.41 3.04 -1.78 0.62 116.25 119.20 1rnh h VAL 101 Ca -0.50 -0.30 0.11 0.00 -1.01 0.00 0.00 66.70 65.00 1rnh h VAL 101 Cb 1.33 0.12 -0.09 0.00 -2.01 0.00 0.00 31.29 30.64 1rnh h VAL 101 CO 0.51 0.16 0.11 -2.24 -1.01 0.00 0.00 177.57 175.10 1rnh h ASP 102 N 0.89 -0.03 0.02 3.17 -0.00 -1.90 0.11 116.42 118.67 1rnh h ASP 102 Ca 0.31 0.12 -0.11 0.00 -0.00 0.00 0.00 57.03 57.34 1rnh h ASP 102 Cb 0.12 0.17 0.01 0.00 -0.00 0.00 0.00 39.33 39.62 1rnh h ASP 102 CO -0.10 -0.01 -0.45 -0.07 -0.00 0.00 0.00 179.24 178.61 1rnh h LEU 103 N 0.24 0.37 -0.89 0.15 3.38 -1.73 -3.16 115.31 113.66 1rnh h LEU 103 Ca 0.31 -0.81 0.04 0.00 0.09 0.00 0.00 57.88 57.52 1rnh h LEU 103 Cb 0.47 -0.11 -0.06 0.00 0.09 0.00 0.00 40.66 41.05 1rnh h LEU 103 CO -0.41 1.13 0.57 -0.50 0.09 0.00 0.00 178.44 179.31 1rnh h TRP 104 N -0.35 1.06 -0.57 1.13 4.06 -0.60 -1.47 115.95 119.20 1rnh h TRP 104 Ca -0.06 0.03 -0.08 0.00 2.06 0.00 0.00 58.89 60.84 1rnh h TRP 104 Cb 1.22 -0.35 -0.02 0.00 -1.00 0.00 0.00 29.16 29.01 1rnh h TRP 104 CO 0.17 0.58 0.03 1.96 -3.56 0.00 0.00 178.44 177.63 1rnh h GLN 105 N 1.07 0.95 -0.58 0.49 4.20 -0.86 -1.37 115.11 119.02 1rnh h GLN 105 Ca 0.37 -0.26 -0.00 0.00 0.06 0.00 0.00 58.65 58.81 1rnh h GLN 105 Cb 0.07 -0.11 -0.03 0.00 0.30 0.00 0.00 27.48 27.72 1rnh h GLN 105 CO -0.14 0.92 0.35 0.00 -0.67 0.00 0.00 178.83 179.29 1rnh h ARG 106 N 0.88 0.79 -0.23 1.46 3.08 -1.43 -0.21 114.38 118.73 1rnh h ARG 106 Ca 0.17 -0.07 -0.06 0.00 0.07 0.00 0.00 59.98 60.08 1rnh h ARG 106 Cb 0.47 -0.16 -0.01 0.00 0.08 0.00 0.00 29.97 30.35 1rnh h ARG 106 CO 0.02 0.57 -0.11 1.25 -1.07 0.00 0.00 179.97 180.64 1rnh h LEU 107 N 0.78 0.50 -0.27 3.04 5.85 -1.12 -2.80 115.31 121.29 1rnh h LEU 107 Ca 0.21 -0.41 0.03 0.00 0.84 0.00 0.00 57.88 58.55 1rnh h LEU 107 Cb -0.01 -0.14 -0.03 0.00 0.37 0.00 0.00 40.66 40.85 1rnh h LEU 107 CO -0.04 0.79 0.09 -0.78 -0.34 0.00 0.00 178.44 178.16 1rnh h ASP 108 N 0.20 0.09 -0.34 1.25 1.82 -0.99 -0.62 116.42 117.84 1rnh h ASP 108 Ca 0.05 0.03 0.07 0.00 -0.39 0.00 0.00 57.03 56.79 1rnh h ASP 108 Cb 0.60 0.02 -0.06 0.00 0.68 0.00 0.00 39.33 40.57 1rnh h ASP 108 CO 0.03 0.09 -0.07 0.00 -1.61 0.00 0.00 179.24 177.68 1rnh h ALA 109 N 1.17 0.23 0.00 -0.78 0.00 -1.03 -2.64 119.26 116.21 1rnh h ALA 109 Ca 0.12 0.13 -0.07 0.00 0.00 0.00 0.00 54.91 55.08 1rnh h ALA 109 Cb 0.09 0.24 -0.01 0.00 0.00 0.00 0.00 17.79 18.11 1rnh h ALA 109 CO -0.13 -0.45 -0.34 0.00 0.00 0.00 0.00 179.25 178.33 1rnh h ALA 110 N 1.33 1.00 0.00 0.00 0.00 -1.26 -2.62 119.26 117.71 1rnh h ALA 110 Ca 0.16 -0.31 0.00 0.00 0.00 0.00 0.00 54.91 54.76 1rnh h ALA 110 Cb 0.24 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.98 1rnh h ALA 110 CO -0.34 0.43 0.00 1.25 0.00 0.00 0.00 179.25 180.59 1rnh h LEU 111 N 0.00 0.00 -0.08 0.00 5.85 -0.77 -3.00 115.31 117.31 1rnh h LEU 111 Ca -0.00 0.00 -0.05 0.00 0.84 0.00 0.00 57.88 58.66 1rnh h LEU 111 Cb 0.87 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.90 1rnh h LEU 111 CO 0.04 0.00 -0.25 1.23 -0.34 0.00 0.00 178.44 179.12 1rnh h GLY 112 N 3.99 0.00 -1.41 3.75 0.00 -1.17 -3.34 103.07 104.89 1rnh h GLY 112 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1rnh h GLY 112 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 176.54 175.48 1rnh n GLN 113 N -3.17 2.06 -4.02 4.80 1.13 -1.13 -4.98 117.38 112.06 1rnh n GLN 113 Ca 0.03 -1.58 -0.10 0.00 -1.94 0.00 0.00 57.00 53.41 1rnh n GLN 113 Cb 0.62 -1.45 -0.08 0.00 0.11 0.00 0.00 30.24 29.44 1rnh n GLN 113 CO 0.00 0.00 0.00 -1.01 -1.44 0.00 0.00 177.06 174.61 1rnh s HIS 114 N -1.75 0.54 -0.36 1.08 3.76 -1.25 -4.24 115.29 113.06 1rnh s HIS 114 Ca 0.34 -0.89 -0.11 0.00 -0.15 0.00 0.00 55.06 54.25 1rnh s HIS 114 Cb 0.20 -0.15 0.02 0.00 1.11 0.00 0.00 32.58 33.76 1rnh s HIS 114 CO 0.29 -0.70 0.20 -0.65 -0.85 0.00 0.00 174.74 173.03 1rnh s GLN 115 N -4.00 2.96 -0.12 1.40 -0.21 0.58 -4.96 119.66 115.31 1rnh s GLN 115 Ca 0.21 -0.99 -0.04 0.00 0.02 0.00 0.00 55.36 54.56 1rnh s GLN 115 Cb 0.04 -3.71 -0.03 0.00 1.00 0.00 0.00 33.01 30.30 1rnh s GLN 115 CO 0.02 -0.64 0.02 0.42 -2.12 0.00 0.00 175.29 172.99 1rnh s ILE 116 N 1.58 4.46 -0.20 1.08 1.01 -1.26 -0.16 121.20 127.71 1rnh s ILE 116 Ca 0.03 -0.18 0.00 0.00 0.00 0.00 0.00 60.65 60.51 1rnh s ILE 116 Cb -0.19 -2.92 0.02 0.00 0.01 0.00 0.00 42.46 39.38 1rnh s ILE 116 CO 0.07 0.56 -0.16 -0.75 0.00 0.00 0.00 174.94 174.66 1rnh s LYS 117 N -0.47 2.94 -0.15 2.79 2.20 0.20 -4.98 119.74 122.28 1rnh s LYS 117 Ca 0.09 -0.88 -0.12 0.00 -0.36 0.00 0.00 55.97 54.70 1rnh s LYS 117 Cb -0.12 -2.69 -0.05 0.00 -1.51 0.00 0.00 37.83 33.47 1rnh s LYS 117 CO 0.02 -0.26 0.26 -1.58 -0.36 0.00 0.00 175.35 173.43 1rnh s TRP 118 N 1.29 3.50 -0.30 4.03 0.52 -1.26 -0.28 118.94 126.44 1rnh s TRP 118 Ca 0.03 0.59 -0.01 0.00 0.02 0.00 0.00 56.10 56.73 1rnh s TRP 118 Cb -0.14 -2.26 0.05 0.00 -1.15 0.00 0.00 33.47 29.97 1rnh s TRP 118 CO -0.10 0.35 -0.01 -2.00 0.02 0.00 0.00 176.95 175.20 1rnh s GLU 119 N 0.11 2.38 -0.40 4.98 2.12 0.18 -4.91 118.70 123.16 1rnh s GLU 119 Ca 0.16 -1.30 -0.21 0.00 0.36 0.00 0.00 54.97 53.98 1rnh s GLU 119 Cb -0.13 -3.15 0.01 0.00 0.26 0.00 0.00 34.13 31.12 1rnh s GLU 119 CO 0.04 -0.63 0.65 -1.58 -0.54 0.00 0.00 175.26 173.20 1rnh s TRP 120 N 1.22 3.10 0.00 5.30 0.52 -1.26 -1.62 118.94 126.21 1rnh s TRP 120 Ca -0.05 0.17 -0.17 0.00 0.02 0.00 0.00 56.10 56.08 1rnh s TRP 120 Cb -0.20 -3.27 -0.06 0.00 -1.15 0.00 0.00 33.47 28.79 1rnh s TRP 120 CO -0.02 -0.76 0.47 0.08 0.02 0.00 0.00 176.95 176.75 1rnh s VAL 121 N 2.81 4.96 -0.25 4.03 1.01 -0.56 -4.97 120.40 127.43 1rnh s VAL 121 Ca 0.24 0.98 0.01 0.00 0.00 0.00 0.00 61.98 63.21 1rnh s VAL 121 Cb -0.14 -3.79 0.07 0.00 0.00 0.00 0.00 36.38 32.52 1rnh s VAL 121 CO 0.17 0.53 -0.02 -1.59 0.00 0.00 0.00 175.10 174.19 1rnh s LYS 122 N -0.82 1.43 0.00 2.72 0.00 -1.26 -4.09 119.74 117.72 1rnh s LYS 122 Ca 0.26 -1.02 0.00 0.00 0.00 0.00 0.00 55.97 55.21 1rnh s LYS 122 Cb -0.17 -2.54 0.00 0.00 0.00 0.00 0.00 37.83 35.12 1rnh s LYS 122 CO 0.15 -0.67 0.00 0.41 0.00 0.00 0.00 175.35 175.24 1rnh n GLY 123 N 4.69 0.14 0.13 0.59 0.00 -1.26 -4.83 105.19 104.65 1rnh n GLY 123 Ca -0.09 -1.62 0.02 0.00 0.00 0.00 0.00 46.02 44.33 1rnh n GLY 123 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 173.32 173.77 1rnh h HIS 124 N 0.00 0.00 -2.71 1.61 3.86 -1.96 -3.44 115.15 112.51 1rnh h HIS 124 Ca 0.00 0.00 -0.54 0.00 -1.16 0.00 0.00 60.37 58.67 1rnh h HIS 124 Cb 0.00 0.00 0.01 0.00 1.06 0.00 0.00 27.41 28.48 1rnh h HIS 124 CO 0.00 0.51 0.99 0.00 0.86 0.00 0.00 177.93 180.29 1rnh s ALA 125 N -2.96 3.64 0.00 2.45 0.00 -1.26 -1.67 121.76 121.96 1rnh s ALA 125 Ca 0.03 1.07 0.00 0.00 0.00 0.00 0.00 51.96 53.06 1rnh s ALA 125 Cb 0.08 -3.69 0.00 0.00 0.00 0.00 0.00 23.12 19.51 1rnh s ALA 125 CO 0.76 -1.15 0.00 0.41 0.00 0.00 0.00 175.76 175.78 1rnh n GLY 126 N 3.97 0.76 2.47 0.00 0.00 -1.26 -4.98 105.19 106.16 1rnh n GLY 126 Ca 0.16 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.91 1rnh n GLY 126 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1rnh n HIS 127 N -2.26 1.73 -0.18 1.61 -0.00 -0.67 -4.97 115.22 110.49 1rnh n HIS 127 Ca 0.00 -3.89 0.02 0.00 -0.00 0.00 0.00 57.72 53.85 1rnh n HIS 127 Cb 0.00 -0.37 0.30 0.00 -0.00 0.00 0.00 29.99 29.91 1rnh n HIS 127 CO 0.00 0.00 0.00 -1.00 -0.00 0.00 0.00 176.34 175.34 1rnh h PRO 128 N 4.69 0.87 -0.36 -0.41 0.13 -1.94 -1.96 132.00 133.01 1rnh h PRO 128 Ca 0.17 -0.05 -0.13 0.00 -0.87 0.00 0.00 66.00 65.12 1rnh h PRO 128 Cb 0.78 -0.20 -0.01 0.00 0.13 0.00 0.00 31.00 31.71 1rnh h PRO 128 CO 0.63 0.57 -0.31 0.93 -0.23 0.00 0.00 178.00 179.60 1rnh h GLU 129 N 0.89 0.78 -0.53 0.86 3.07 -1.93 -2.41 114.58 115.31 1rnh h GLU 129 Ca 0.27 -0.36 -0.06 0.00 -0.50 0.00 0.00 59.36 58.71 1rnh h GLU 129 Cb -0.02 -0.01 -0.02 0.00 -0.84 0.00 0.00 28.75 27.86 1rnh h GLU 129 CO -0.07 0.98 0.11 -0.91 -1.40 0.00 0.00 179.01 177.72 1rnh h ASN 130 N 0.66 0.83 -0.47 1.42 4.21 -1.86 -1.23 115.58 119.13 1rnh h ASN 130 Ca 0.07 -0.25 -0.01 0.00 1.21 0.00 0.00 56.30 57.33 1rnh h ASN 130 Cb 0.84 -0.22 -0.02 0.00 -1.12 0.00 0.00 38.32 37.80 1rnh h ASN 130 CO 0.07 0.86 0.27 -0.08 -1.29 0.00 0.00 177.43 177.27 1rnh h GLU 131 N 0.75 0.65 -0.99 0.81 4.81 -1.18 -2.39 114.58 117.05 1rnh h GLU 131 Ca 0.16 -0.07 0.03 0.00 -0.13 0.00 0.00 59.36 59.36 1rnh h GLU 131 Cb 0.37 -0.13 -0.06 0.00 0.63 0.00 0.00 28.75 29.57 1rnh h GLU 131 CO 0.01 0.50 0.65 -0.09 -0.73 0.00 0.00 179.01 179.35 1rnh h ARG 132 N 0.63 1.23 -0.74 1.92 2.43 -1.30 -0.74 114.38 117.81 1rnh h ARG 132 Ca 0.17 -0.07 -0.03 0.00 -0.81 0.00 0.00 59.98 59.23 1rnh h ARG 132 Cb 0.03 -0.28 -0.03 0.00 -0.42 0.00 0.00 29.97 29.27 1rnh h ARG 132 CO -0.03 0.81 0.33 0.00 -1.51 0.00 0.00 179.97 179.57 1rnh h ASP 134 N 1.06 0.74 -0.41 0.00 3.58 -0.72 0.62 116.42 121.29 1rnh h ASP 134 Ca 0.25 -0.12 -0.02 0.00 0.42 0.00 0.00 57.03 57.56 1rnh h ASP 134 Cb 0.15 -0.19 -0.02 0.00 1.72 0.00 0.00 39.33 40.99 1rnh h ASP 134 CO -0.03 0.66 0.19 -0.33 -2.88 0.00 0.00 179.24 176.85 1rnh h GLU 135 N 0.77 0.59 -0.53 0.28 5.08 -0.64 -1.49 114.58 118.64 1rnh h GLU 135 Ca 0.20 -0.09 0.00 0.00 -1.00 0.00 0.00 59.36 58.47 1rnh h GLU 135 Cb 0.11 -0.10 -0.03 0.00 0.50 0.00 0.00 28.75 29.23 1rnh h GLU 135 CO -0.03 0.53 0.34 -0.07 -1.00 0.00 0.00 179.01 178.79 1rnh h LEU 136 N 0.52 0.62 0.20 1.33 3.38 -0.53 -2.33 115.31 118.50 1rnh h LEU 136 Ca 0.14 -0.03 0.01 0.00 0.09 0.00 0.00 57.88 58.09 1rnh h LEU 136 Cb 0.14 -0.16 -0.04 0.00 0.09 0.00 0.00 40.66 40.70 1rnh h LEU 136 CO -0.02 0.47 -0.40 0.00 0.09 0.00 0.00 178.44 178.58 1rnh h ALA 137 N 1.18 -0.76 -0.71 1.53 0.00 0.65 -2.03 119.26 119.13 1rnh h ALA 137 Ca 0.19 -0.09 -0.01 0.00 0.00 0.00 0.00 54.91 55.00 1rnh h ALA 137 Cb -0.06 0.65 -0.03 0.00 0.00 0.00 0.00 17.79 18.35 1rnh h ALA 137 CO -0.04 -0.98 0.40 0.00 0.00 0.00 0.00 179.25 178.63 1rnh h ARG 138 N -0.69 0.97 -0.46 0.00 3.08 -1.26 -2.65 114.38 113.38 1rnh h ARG 138 Ca 0.01 -0.10 -0.11 0.00 0.07 0.00 0.00 59.98 59.85 1rnh h ARG 138 Cb 0.68 -0.20 -0.02 0.00 0.08 0.00 0.00 29.97 30.52 1rnh h ARG 138 CO -0.19 0.70 -0.17 0.00 -1.07 0.00 0.00 179.97 179.25 1rnh h ALA 139 N 1.46 0.85 -0.44 0.04 0.00 -1.26 -3.04 119.26 116.86 1rnh h ALA 139 Ca 0.25 -0.36 -0.10 0.00 0.00 0.00 0.00 54.91 54.70 1rnh h ALA 139 Cb 0.00 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.61 1rnh h ALA 139 CO -0.04 0.64 -0.13 0.00 0.00 0.00 0.00 179.25 179.72 1rnh h ALA 140 N 1.03 0.61 0.00 0.00 0.00 -1.16 -3.30 119.26 116.44 1rnh h ALA 140 Ca 0.12 -0.34 0.00 0.00 0.00 0.00 0.00 54.91 54.69 1rnh h ALA 140 Cb 0.70 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.33 1rnh h ALA 140 CO 0.05 0.51 0.00 0.00 0.00 0.00 0.00 179.25 179.82 1rnh n ALA 141 N -2.47 1.54 -0.02 0.00 0.00 -1.02 -2.71 120.51 115.83 1rnh n ALA 141 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.43 1rnh n ALA 141 Cb 0.39 -1.25 0.00 0.00 0.00 0.00 0.00 19.45 18.59 1rnh n ALA 141 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 1rnh n ASN 143 N 1.24 0.00 -4.73 0.00 4.05 -1.24 -4.36 115.26 110.21 1rnh n ASN 143 Ca 0.00 -0.02 -0.42 0.00 0.45 0.00 0.00 54.58 54.59 1rnh n ASN 143 Cb 0.01 0.00 -0.02 0.00 1.23 0.00 0.00 39.78 41.01 1rnh n ASN 143 CO 0.00 0.00 0.00 -0.81 -3.05 0.00 0.00 177.26 173.40 1rnh n PRO 144 N 0.10 2.63 0.00 1.20 -0.04 -1.10 -4.64 135.00 133.14 1rnh n PRO 144 Ca 0.00 0.94 0.00 0.00 -0.04 0.00 0.00 63.50 64.40 1rnh n PRO 144 Cb 0.00 -2.71 0.00 0.00 -0.04 0.00 0.00 33.50 30.75 1rnh n PRO 144 CO 0.00 0.00 0.00 2.41 -0.04 0.00 0.00 175.50 177.87 1rnh n THR 145 N 2.21 0.00 -4.10 0.52 -1.04 -0.21 -4.78 114.28 106.88 1rnh n THR 145 Ca 0.09 -0.02 -0.22 0.00 -2.04 0.00 0.00 64.05 61.86 1rnh n THR 145 Cb 0.36 0.30 -0.05 0.00 -1.82 0.00 0.00 70.33 69.12 1rnh n THR 145 CO 0.00 0.00 0.00 -0.76 -0.64 0.00 0.00 175.07 173.67 1rnh s LEU 146 N -1.36 3.68 -0.12 -4.42 1.02 -0.69 -4.96 118.68 111.83 1rnh s LEU 146 Ca 0.00 -0.36 -0.06 0.00 0.02 0.00 0.00 54.13 53.73 1rnh s LEU 146 Cb 0.00 -2.22 -0.04 0.00 0.02 0.00 0.00 46.19 43.95 1rnh s LEU 146 CO 0.00 -0.09 0.11 -1.61 0.02 0.00 0.00 176.35 174.79 1rnh s GLU 147 N -3.84 3.43 -1.11 1.70 8.01 -1.26 -0.78 118.70 124.85 1rnh s GLU 147 Ca 0.34 -0.19 -0.09 0.00 0.01 0.00 0.00 54.97 55.04 1rnh s GLU 147 Cb -0.07 -3.14 0.28 0.00 -4.31 0.00 0.00 34.13 26.89 1rnh s GLU 147 CO 0.24 0.72 1.10 0.34 0.01 0.00 0.00 175.26 177.67 1rnh s ASP 148 N -0.87 7.27 0.00 -0.19 2.15 -1.26 -4.87 116.67 118.89 1rnh s ASP 148 Ca 0.14 -3.63 0.15 0.00 0.43 0.00 0.00 52.55 49.64 1rnh s ASP 148 Cb -0.12 -2.19 0.65 0.00 -0.30 0.00 0.00 42.92 40.96 1rnh s ASP 148 CO 0.03 -0.27 1.45 0.35 -0.17 0.00 0.00 175.17 176.56 1rnh n THR 149 N 2.65 0.91 1.19 1.71 -2.24 -1.26 -1.72 114.28 115.52 1rnh n THR 149 Ca 0.24 0.23 0.12 0.00 -2.27 0.00 0.00 64.05 62.37 1rnh n THR 149 Cb 0.39 -0.98 0.27 0.00 -2.10 0.00 0.00 70.33 67.91 1rnh n THR 149 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1rnh n GLY 150 N -0.01 -0.24 3.71 3.38 0.00 -1.26 -4.87 105.19 105.91 1rnh n GLY 150 Ca 0.04 -0.50 -0.42 0.00 0.00 0.00 0.00 46.02 45.15 1rnh n GLY 150 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1rnh s TYR 151 N -2.40 3.65 -2.00 1.61 5.04 -0.70 -4.97 117.35 117.59 1rnh s TYR 151 Ca 0.25 1.66 0.23 0.00 -2.44 0.00 0.00 57.07 56.77 1rnh s TYR 151 Cb 0.19 -3.15 1.37 0.00 0.35 0.00 0.00 41.96 40.72 1rnh s TYR 151 CO 0.50 -0.15 1.74 0.00 -1.34 0.00 0.00 175.55 176.30