#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1t1t s ILE 2 N 0.00 2.52 -0.05 -0.18 2.07 -0.45 -4.75 121.20 120.36 1t1t s ILE 2 Ca 0.00 -2.27 0.02 0.00 -1.41 0.00 0.00 60.65 56.99 1t1t s ILE 2 Cb 0.00 -2.49 0.01 0.00 0.13 0.00 0.00 42.46 40.11 1t1t s ILE 2 CO 0.00 -0.32 -0.09 -1.81 -1.91 0.00 0.00 174.94 170.80 1t1t s ASP 3 N -3.57 1.37 0.09 4.50 1.01 -1.26 0.14 116.67 118.95 1t1t s ASP 3 Ca 0.31 -0.22 -0.14 0.00 0.71 0.00 0.00 52.55 53.21 1t1t s ASP 3 Cb -0.03 -0.58 0.05 0.00 1.01 0.00 0.00 42.92 43.38 1t1t s ASP 3 CO 0.16 0.02 0.67 0.61 0.21 0.00 0.00 175.17 176.84 1t1t n GLY 4 N 3.74 0.78 3.23 0.21 0.00 -1.04 -5.02 105.19 107.09 1t1t n GLY 4 Ca -0.23 -1.05 -0.41 0.00 0.00 0.00 0.00 46.02 44.34 1t1t n GLY 4 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1t1t s TYR 5 N -3.38 3.40 0.33 1.61 1.51 -1.26 -1.87 117.35 117.69 1t1t s TYR 5 Ca 0.15 -1.77 -0.28 0.00 -1.01 0.00 0.00 57.07 54.16 1t1t s TYR 5 Cb -0.02 -3.43 -0.10 0.00 -0.11 0.00 0.00 41.96 38.31 1t1t s TYR 5 CO 0.03 -0.97 1.19 -1.25 -1.11 0.00 0.00 175.55 173.44 1t1t s PRO 6 N 1.39 4.39 0.06 -1.71 0.04 0.21 -1.45 135.00 137.93 1t1t s PRO 6 Ca 0.05 1.97 0.00 0.00 0.04 0.00 0.00 61.00 63.06 1t1t s PRO 6 Cb -0.26 -3.02 0.00 0.00 0.04 0.00 0.00 34.50 31.27 1t1t s PRO 6 CO 0.00 -0.07 0.04 1.33 0.04 0.00 0.00 177.00 178.35 1t1t n VAL 7 N 0.77 0.00 0.00 -0.36 0.24 -0.37 -4.20 118.33 114.41 1t1t n VAL 7 Ca 0.01 -0.22 0.00 0.00 -2.04 0.00 0.00 64.34 62.08 1t1t n VAL 7 Cb 0.44 -0.44 0.00 0.00 -1.47 0.00 0.00 33.84 32.37 1t1t n VAL 7 CO 0.00 0.00 0.00 -0.67 -2.14 0.00 0.00 176.83 174.02 1t1t n ASP 8 N -1.97 0.00 -0.05 -1.34 2.03 -1.17 -4.92 116.55 109.13 1t1t n ASP 8 Ca -0.00 0.00 -0.20 0.00 0.52 0.00 0.00 54.79 55.11 1t1t n ASP 8 Cb 0.06 0.00 -0.13 0.00 -0.72 0.00 0.00 41.12 40.34 1t1t n ASP 8 CO 0.00 0.00 0.00 1.88 -1.92 0.00 0.00 177.20 177.16 1t1t h TYR 9 N 0.00 0.17 0.00 -0.67 -1.99 -2.00 -3.39 116.97 109.08 1t1t h TYR 9 Ca 0.00 -0.12 -0.00 0.00 2.00 0.00 0.00 58.73 60.60 1t1t h TYR 9 Cb 0.00 -0.01 -0.00 0.00 2.00 0.00 0.00 36.73 38.72 1t1t h TYR 9 CO 0.00 1.40 -0.08 0.91 -0.00 0.00 0.00 178.16 180.39 1t1t n TRP 10 N -4.28 0.00 -1.22 4.88 8.01 -1.26 -4.92 117.44 118.65 1t1t n TRP 10 Ca -0.24 -1.05 -0.10 0.00 -1.31 0.00 0.00 57.50 54.81 1t1t n TRP 10 Cb 0.72 -0.16 -0.04 0.00 -2.01 0.00 0.00 31.31 29.81 1t1t n TRP 10 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 177.69 176.77 1t1t n ASN 11 N -1.37 -5.10 -0.08 -0.99 4.13 -1.26 -0.25 115.26 110.35 1t1t n ASN 11 Ca 0.16 0.24 -0.14 0.00 1.68 0.00 0.00 54.58 56.52 1t1t n ASN 11 Cb 0.65 -3.78 -0.09 0.00 -1.54 0.00 0.00 39.78 35.02 1t1t n ASN 11 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1t1t h LYS 13 N -1.00 -0.23 0.00 0.00 1.63 -2.00 -3.49 116.57 111.48 1t1t h LYS 13 Ca -0.13 0.02 0.00 0.00 -0.85 0.00 0.00 60.65 59.69 1t1t h LYS 13 Cb 0.90 0.05 0.00 0.00 -0.60 0.00 0.00 32.23 32.58 1t1t h LYS 13 CO -0.08 -0.10 0.00 0.54 -3.45 0.00 0.00 179.45 176.37 1t1t n ARG 14 N -5.16 0.00 -0.00 1.90 1.74 -1.26 -5.02 116.66 108.86 1t1t n ARG 14 Ca -0.09 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.00 1t1t n ARG 14 Cb 0.15 0.00 -0.01 0.00 -1.02 0.00 0.00 32.46 31.58 1t1t n ARG 14 CO 0.00 0.00 0.00 0.44 -1.52 0.00 0.00 177.63 176.55 1t1t n ILE 15 N 1.50 0.00 -3.79 0.55 -0.00 -1.26 -3.04 119.36 113.32 1t1t n ILE 15 Ca 0.00 -0.11 -0.28 0.00 -0.00 0.00 0.00 62.75 62.37 1t1t n ILE 15 Cb 0.00 0.58 -0.16 0.00 -0.00 0.00 0.00 39.64 40.06 1t1t n ILE 15 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.55 176.55 1t1t n TRP 17 N 4.98 -1.86 0.14 0.00 -0.00 -1.26 -4.88 117.44 114.58 1t1t n TRP 17 Ca -0.10 0.20 0.03 0.00 -0.00 0.00 0.00 57.50 57.63 1t1t n TRP 17 Cb 0.47 -1.65 0.04 0.00 -0.00 0.00 0.00 31.31 30.16 1t1t n TRP 17 CO 0.00 0.00 0.00 -0.92 -0.00 0.00 0.00 177.69 176.77 1t1t h TYR 18 N -1.63 0.00 -3.71 5.87 5.03 -1.99 -3.45 116.97 117.09 1t1t h TYR 18 Ca -0.46 0.00 -0.50 0.00 2.58 0.00 0.00 58.73 60.35 1t1t h TYR 18 Cb 1.31 0.00 -0.03 0.00 1.55 0.00 0.00 36.73 39.57 1t1t h TYR 18 CO 0.28 0.47 0.18 -0.80 -1.32 0.00 0.00 178.16 176.97 1t1t s ASN 19 N -6.45 7.08 0.00 -2.11 -0.87 -1.26 -4.94 114.94 106.39 1t1t s ASN 19 Ca 0.04 1.52 0.08 0.00 -1.57 0.00 0.00 52.86 52.93 1t1t s ASN 19 Cb 0.07 -2.46 0.46 0.00 -0.02 0.00 0.00 41.25 39.30 1t1t s ASN 19 CO 0.74 -0.06 1.30 -0.46 -2.57 0.00 0.00 177.10 176.05 1t1t n ASN 20 N 0.42 0.09 0.00 -1.22 0.23 -1.26 -3.55 115.26 109.96 1t1t n ASN 20 Ca 0.00 -1.77 0.00 0.00 -0.53 0.00 0.00 54.58 52.29 1t1t n ASN 20 Cb 0.51 -0.01 0.00 0.00 -2.08 0.00 0.00 39.78 38.20 1t1t n ASN 20 CO 0.00 0.00 0.00 1.17 -0.93 0.00 0.00 177.26 177.50 1t1t n LYS 21 N -0.57 3.32 0.14 -3.83 4.81 -1.26 -4.55 118.16 116.22 1t1t n LYS 21 Ca 0.06 0.00 0.09 0.00 -0.87 0.00 0.00 58.31 57.60 1t1t n LYS 21 Cb 0.04 -0.64 0.50 0.00 0.02 0.00 0.00 35.03 34.95 1t1t n LYS 21 CO 0.00 0.00 0.00 0.98 1.17 0.00 0.00 177.40 179.55 1t1t n TYR 22 N -0.62 0.63 -0.08 5.64 4.19 -1.23 -1.78 117.16 123.90 1t1t n TYR 22 Ca 0.00 0.32 -0.08 0.00 3.31 0.00 0.00 57.90 61.45 1t1t n TYR 22 Cb 0.00 -1.02 -0.13 0.00 0.49 0.00 0.00 39.34 38.68 1t1t n TYR 22 CO 0.00 0.00 0.00 0.00 0.91 0.00 0.00 176.86 177.77 1t1t h ASN 24 N 0.00 -0.11 -0.83 0.00 -0.73 -1.32 0.17 115.58 112.75 1t1t h ASN 24 Ca -0.44 -0.47 0.10 0.00 1.87 0.00 0.00 56.30 57.36 1t1t h ASN 24 Cb 2.01 0.03 -0.08 0.00 0.27 0.00 0.00 38.32 40.55 1t1t h ASN 24 CO 0.02 0.48 0.47 -0.78 -0.37 0.00 0.00 177.43 177.26 1t1t h ASP 25 N -0.77 0.66 -0.16 1.15 3.58 -1.60 0.23 116.42 119.52 1t1t h ASP 25 Ca -0.01 0.05 -0.18 0.00 0.42 0.00 0.00 57.03 57.31 1t1t h ASP 25 Cb 0.57 -0.07 0.01 0.00 1.72 0.00 0.00 39.33 41.56 1t1t h ASP 25 CO 0.02 0.37 -0.60 0.25 -2.88 0.00 0.00 179.24 176.39 1t1t h LEU 26 N 0.77 0.81 -1.00 2.28 5.85 -1.70 -3.03 115.31 119.30 1t1t h LEU 26 Ca 0.41 -0.61 -0.00 0.00 0.84 0.00 0.00 57.88 58.52 1t1t h LEU 26 Cb 0.41 -0.24 -0.05 0.00 0.37 0.00 0.00 40.66 41.15 1t1t h LEU 26 CO -0.26 1.28 0.59 0.00 -0.34 0.00 0.00 178.44 179.71 1t1t h LYS 28 N 1.30 0.02 -0.42 0.00 1.79 -0.53 0.20 116.57 118.94 1t1t h LYS 28 Ca 0.34 -0.00 0.01 0.00 -2.18 0.00 0.00 60.65 58.82 1t1t h LYS 28 Cb -0.08 -0.00 -0.02 0.00 -1.58 0.00 0.00 32.23 30.54 1t1t h LYS 28 CO -0.07 0.10 0.28 0.78 -1.08 0.00 0.00 179.45 179.46 1t1t h GLY 29 N 0.28 0.57 -2.56 3.86 0.00 -1.05 0.18 103.07 104.35 1t1t h GLY 29 Ca 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 47.33 47.12 1t1t h GLY 29 CO 0.01 0.20 0.00 1.04 0.00 0.00 0.00 176.54 177.79 1t1t n LEU 30 N -4.48 3.91 -0.09 3.11 4.77 -0.19 -4.86 117.00 119.18 1t1t n LEU 30 Ca 0.03 -1.98 -0.01 0.00 -0.03 0.00 0.00 56.01 54.02 1t1t n LEU 30 Cb 0.07 -0.58 -0.00 0.00 -2.33 0.00 0.00 43.42 40.58 1t1t n LEU 30 CO 0.35 0.52 -0.01 1.17 -1.33 0.00 0.00 177.39 178.09 1t1t n LYS 31 N 0.49 -0.36 -2.90 3.23 3.00 0.62 -3.34 118.16 118.90 1t1t n LYS 31 Ca 0.18 0.25 -0.44 0.00 -0.00 0.00 0.00 58.31 58.30 1t1t n LYS 31 Cb 0.81 -3.64 -0.01 0.00 0.00 0.00 0.00 35.03 32.19 1t1t n LYS 31 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1t1t s ALA 32 N -1.90 3.80 0.00 3.14 0.00 0.54 -4.31 121.76 123.03 1t1t s ALA 32 Ca 0.00 -3.19 0.00 0.00 0.00 0.00 0.00 51.96 48.77 1t1t s ALA 32 Cb 0.00 -4.17 0.00 0.00 0.00 0.00 0.00 23.12 18.95 1t1t s ALA 32 CO 0.00 -2.88 0.75 -0.25 0.00 0.00 0.00 175.76 173.39 1t1t n ASP 33 N 6.13 0.00 -4.56 0.00 8.00 -1.25 -3.19 116.55 121.69 1t1t n ASP 33 Ca 0.36 0.75 -0.27 0.00 0.71 0.00 0.00 54.79 56.34 1t1t n ASP 33 Cb 0.44 -0.25 -0.05 0.00 -0.02 0.00 0.00 41.12 41.24 1t1t n ASP 33 CO 0.00 0.00 0.00 -0.55 -0.39 0.00 0.00 177.20 176.26 1t1t s SER 34 N -2.69 5.15 -0.22 -2.24 0.15 -1.26 -4.72 113.70 107.87 1t1t s SER 34 Ca 0.00 -0.64 0.02 0.00 0.70 0.00 0.00 55.95 56.03 1t1t s SER 34 Cb 0.00 -2.56 0.04 0.00 -1.71 0.00 0.00 66.02 61.80 1t1t s SER 34 CO 0.00 -2.73 -0.12 -0.83 1.20 0.00 0.00 173.24 170.76 1t1t s GLY 35 N 8.04 1.43 0.09 9.45 0.00 -1.24 -1.90 107.32 123.18 1t1t s GLY 35 Ca 0.70 -1.41 0.04 0.00 0.00 0.00 0.00 44.72 44.05 1t1t s GLY 35 CO 0.00 0.60 -0.10 -2.52 0.00 0.00 0.00 173.10 171.08 1t1t s TYR 36 N 1.27 1.03 -0.26 1.90 1.13 -0.76 -3.25 117.35 118.41 1t1t s TYR 36 Ca -0.03 -0.64 -0.07 0.00 -1.41 0.00 0.00 57.07 54.93 1t1t s TYR 36 Cb -0.17 -0.57 -0.01 0.00 -1.10 0.00 0.00 41.96 40.11 1t1t s TYR 36 CO -0.08 -0.01 0.06 0.00 -2.51 0.00 0.00 175.55 173.01 1t1t s TRP 38 N 1.55 2.58 -0.87 0.00 -0.11 -1.03 -4.91 118.94 116.15 1t1t s TRP 38 Ca 0.05 -0.45 -0.18 0.00 1.22 0.00 0.00 56.10 56.74 1t1t s TRP 38 Cb -0.16 -4.40 -0.12 0.00 -1.50 0.00 0.00 33.47 27.30 1t1t s TRP 38 CO 0.02 -1.77 2.00 0.41 -4.62 0.00 0.00 176.95 172.99 1t1t n GLY 39 N 5.39 2.88 0.00 5.86 0.00 -1.26 -3.89 105.19 114.16 1t1t n GLY 39 Ca -0.00 -1.23 0.00 0.00 0.00 0.00 0.00 46.02 44.79 1t1t n GLY 39 CO 0.00 0.00 0.00 1.87 0.00 0.00 0.00 173.32 175.19 1t1t n TRP 40 N 6.68 0.00 -2.12 1.61 -0.00 -1.26 -5.03 117.44 117.33 1t1t n TRP 40 Ca 0.49 0.00 0.00 0.00 -0.00 0.00 0.00 57.50 58.00 1t1t n TRP 40 Cb 0.35 0.00 -0.00 0.00 -0.00 0.00 0.00 31.31 31.66 1t1t n TRP 40 CO 0.00 0.00 0.00 0.25 -0.00 0.00 0.00 177.69 177.94 1t1t n THR 41 N -0.14 0.00 -0.18 5.87 -2.24 -1.26 -4.84 114.28 111.49 1t1t n THR 41 Ca 0.00 -0.24 0.01 0.00 -2.27 0.00 0.00 64.05 61.55 1t1t n THR 41 Cb 0.00 0.54 0.02 0.00 -2.10 0.00 0.00 70.33 68.78 1t1t n THR 41 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 1t1t n LEU 42 N 0.12 1.94 0.00 3.22 4.77 -1.26 -5.11 117.00 120.68 1t1t n LEU 42 Ca -0.01 -2.03 0.00 0.00 -0.03 0.00 0.00 56.01 53.95 1t1t n LEU 42 Cb 0.77 -0.05 -0.00 0.00 -2.33 0.00 0.00 43.42 41.82 1t1t n LEU 42 CO -0.02 0.50 -0.00 -1.20 -1.33 0.00 0.00 177.39 175.34 1t1t n SER 43 N -0.58 -2.06 -4.82 -1.43 7.64 -1.25 -4.58 113.62 106.54 1t1t n SER 43 Ca 0.02 0.01 -0.33 0.00 1.01 0.00 0.00 58.87 59.58 1t1t n SER 43 Cb 0.31 -0.04 -0.04 0.00 -1.01 0.00 0.00 64.21 63.43 1t1t n SER 43 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1t1t s TYR 45 N -2.26 -0.46 0.01 0.00 5.04 -0.05 -3.31 117.35 116.33 1t1t s TYR 45 Ca 0.63 1.02 0.04 0.00 -2.44 0.00 0.00 57.07 56.32 1t1t s TYR 45 Cb -0.12 0.06 -0.01 0.00 0.35 0.00 0.00 41.96 42.23 1t1t s TYR 45 CO 0.22 -0.33 -0.13 0.00 -1.34 0.00 0.00 175.55 173.97 1t1t s GLN 47 N -0.68 3.12 0.00 0.00 1.11 -0.80 -2.49 119.66 119.91 1t1t s GLN 47 Ca 0.03 -0.78 0.00 0.00 0.01 0.00 0.00 55.36 54.61 1t1t s GLN 47 Cb -0.06 -2.44 0.00 0.00 -1.01 0.00 0.00 33.01 29.50 1t1t s GLN 47 CO 0.00 0.24 0.00 0.41 0.01 0.00 0.00 175.29 175.96 1t1t n GLY 48 N 3.39 0.93 1.91 3.09 0.00 0.37 -3.84 105.19 111.04 1t1t n GLY 48 Ca -0.18 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.73 1t1t n GLY 48 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1t1t n LEU 49 N 0.00 0.00 -4.90 0.99 4.77 -0.26 -2.35 117.00 115.25 1t1t n LEU 49 Ca 0.00 -1.30 -0.28 0.00 -0.03 0.00 0.00 56.01 54.40 1t1t n LEU 49 Cb 0.00 -0.14 0.00 0.00 -2.33 0.00 0.00 43.42 40.95 1t1t n LEU 49 CO 0.00 -0.54 0.49 -2.16 -1.33 0.00 0.00 177.39 173.85 1t1t s PRO 50 N -3.23 3.51 0.64 3.23 0.04 -1.21 -0.26 135.00 137.71 1t1t s PRO 50 Ca 0.25 0.26 0.43 0.00 0.04 0.00 0.00 61.00 61.98 1t1t s PRO 50 Cb -0.02 -2.33 2.33 0.00 0.04 0.00 0.00 34.50 34.52 1t1t s PRO 50 CO 0.16 -0.29 2.31 0.22 0.04 0.00 0.00 177.00 179.44 1t1t h ASP 51 N 0.12 0.00 -0.65 6.66 3.58 -1.96 0.17 116.42 124.34 1t1t h ASP 51 Ca -0.46 0.00 -0.10 0.00 0.42 0.00 0.00 57.03 56.88 1t1t h ASP 51 Cb 1.21 0.00 -0.06 0.00 1.72 0.00 0.00 39.33 42.20 1t1t h ASP 51 CO 0.62 0.00 0.13 -3.20 -2.88 0.00 0.00 179.24 173.91 1t1t n ASN 52 N -3.00 5.29 -4.77 2.28 5.15 -1.26 -4.98 115.26 113.97 1t1t n ASN 52 Ca -0.03 -3.05 -0.41 0.00 -0.60 0.00 0.00 54.58 50.49 1t1t n ASN 52 Cb 0.07 -0.72 -0.01 0.00 -0.53 0.00 0.00 39.78 38.60 1t1t n ASN 52 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1t1t s ALA 53 N -2.84 3.66 0.02 5.20 0.00 0.59 -4.93 121.76 123.45 1t1t s ALA 53 Ca 0.54 1.59 -0.30 0.00 0.00 0.00 0.00 51.96 53.79 1t1t s ALA 53 Cb 0.42 -3.63 -0.04 0.00 0.00 0.00 0.00 23.12 19.87 1t1t s ALA 53 CO 0.15 -1.05 1.07 0.50 0.00 0.00 0.00 175.76 176.43 1t1t s ARG 54 N -1.42 4.50 0.35 0.00 3.52 -1.26 -5.02 118.95 119.61 1t1t s ARG 54 Ca 0.58 1.56 0.04 0.00 -0.13 0.00 0.00 55.73 57.78 1t1t s ARG 54 Cb -0.48 -3.43 -0.03 0.00 -1.56 0.00 0.00 34.95 29.46 1t1t s ARG 54 CO 0.57 -0.15 0.18 0.42 -0.81 0.00 0.00 175.30 175.51 1t1t s ILE 55 N 1.12 0.35 -0.57 4.11 -1.09 -1.26 -3.90 121.20 119.96 1t1t s ILE 55 Ca 0.54 -2.00 -0.07 0.00 -2.23 0.00 0.00 60.65 56.89 1t1t s ILE 55 Cb -0.24 -2.44 -0.07 0.00 -1.58 0.00 0.00 42.46 38.13 1t1t s ILE 55 CO 0.28 0.00 1.72 2.29 -1.23 0.00 0.00 174.94 178.00 1t1t n LYS 56 N -0.73 1.27 0.07 2.79 2.85 -0.53 -4.31 118.16 119.58 1t1t n LYS 56 Ca -0.00 -1.19 0.01 0.00 -1.05 0.00 0.00 58.31 56.08 1t1t n LYS 56 Cb 0.64 -2.37 -0.04 0.00 -0.65 0.00 0.00 35.03 32.61 1t1t n LYS 56 CO 0.00 0.00 0.00 -0.09 -0.05 0.00 0.00 177.40 177.26 1t1t h ARG 57 N 7.22 0.00 -5.81 -1.58 2.43 -1.94 -3.47 114.38 111.22 1t1t h ARG 57 Ca 0.32 0.00 -0.54 0.00 -0.81 0.00 0.00 59.98 58.96 1t1t h ARG 57 Cb 0.20 0.00 -0.14 0.00 -0.42 0.00 0.00 29.97 29.61 1t1t h ARG 57 CO 1.41 0.34 -0.72 -1.12 -1.51 0.00 0.00 179.97 178.37 1t1t s SER 58 N -5.97 3.13 0.00 -3.80 0.01 -1.26 -5.04 113.70 100.77 1t1t s SER 58 Ca -0.01 -1.09 0.00 0.00 1.31 0.00 0.00 55.95 56.16 1t1t s SER 58 Cb 0.08 -0.23 0.00 0.00 0.21 0.00 0.00 66.02 66.08 1t1t s SER 58 CO 0.79 -0.15 0.57 0.61 0.41 0.00 0.00 173.24 175.47 1t1t n GLY 59 N -0.57 -0.94 2.33 3.44 0.00 -1.26 -4.85 105.19 103.34 1t1t n GLY 59 Ca -0.06 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.64 1t1t n GLY 59 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1t1t n ARG 60 N 0.00 2.99 -2.61 1.61 3.00 -1.26 -4.99 116.66 115.40 1t1t n ARG 60 Ca 0.00 -3.63 -0.00 0.00 -0.01 0.00 0.00 57.85 54.21 1t1t n ARG 60 Cb 0.56 -2.28 -0.00 0.00 0.00 0.00 0.00 32.46 30.73 1t1t n ARG 60 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1t1t n ARG 62 N 2.25 1.63 0.00 0.00 1.74 0.66 -4.95 116.66 117.99 1t1t n ARG 62 Ca -0.03 -0.76 0.00 0.00 -0.77 0.00 0.00 57.85 56.29 1t1t n ARG 62 Cb 0.05 -1.60 0.00 0.00 -1.02 0.00 0.00 32.46 29.89 1t1t n ARG 62 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11