#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 2.20 -0.02 -0.18 2.07 0.85 -4.84 121.20 121.28 1t1t s ILE 2 Ca 0.00 -2.19 -0.05 0.00 -1.41 0.00 0.00 60.65 57.00 1t1t s ILE 2 Cb 0.00 -2.65 0.00 0.00 0.13 0.00 0.00 42.46 39.94 1t1t s ILE 2 CO 0.00 -0.20 0.11 1.51 -1.91 0.00 0.00 174.94 174.45 1t1t s ASP 3 N -3.61 -0.04 0.00 4.50 -4.77 -1.26 -0.84 116.67 110.65 1t1t s ASP 3 Ca 0.32 0.02 0.00 0.00 -3.30 0.00 0.00 52.55 49.59 1t1t s ASP 3 Cb 0.03 0.22 0.00 0.00 -1.09 0.00 0.00 42.92 42.07 1t1t s ASP 3 CO 0.16 -0.17 0.00 0.61 0.70 0.00 0.00 175.17 176.47 1t1t n GLY 4 N 2.38 -0.68 3.16 2.12 0.00 -0.81 -5.00 105.19 106.36 1t1t n GLY 4 Ca -0.17 -0.48 -0.38 0.00 0.00 0.00 0.00 46.02 44.99 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 -3.84 3.51 0.36 1.61 1.51 -1.25 -1.52 117.35 117.72 1t1t s TYR 5 Ca 0.00 -2.24 -0.26 0.00 -1.01 0.00 0.00 57.07 53.57 1t1t s TYR 5 Cb 0.00 -3.35 -0.09 0.00 -0.11 0.00 0.00 41.96 38.41 1t1t s TYR 5 CO 0.00 -0.96 1.04 -1.25 -1.11 0.00 0.00 175.55 173.27 1t1t s PRO 6 N 1.02 4.35 0.11 -1.71 0.04 0.21 -1.84 135.00 137.18 1t1t s PRO 6 Ca 0.09 1.56 0.01 0.00 0.04 0.00 0.00 61.00 62.70 1t1t s PRO 6 Cb -0.23 -2.75 0.01 0.00 0.04 0.00 0.00 34.50 31.57 1t1t s PRO 6 CO -0.03 0.02 0.09 1.33 0.04 0.00 0.00 177.00 178.44 1t1t n VAL 7 N 0.35 0.00 0.00 -0.36 0.24 -0.23 -4.37 118.33 113.96 1t1t n VAL 7 Ca 0.03 -0.44 0.00 0.00 -2.04 0.00 0.00 64.34 61.89 1t1t n VAL 7 Cb 0.48 -0.44 0.00 0.00 -1.47 0.00 0.00 33.84 32.41 1t1t n VAL 7 CO 0.00 0.00 0.00 0.47 -2.14 0.00 0.00 176.83 175.16 1t1t n ASP 8 N -2.04 0.00 0.00 -1.34 8.00 -1.26 -4.95 116.55 114.95 1t1t n ASP 8 Ca -0.00 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.50 1t1t n ASP 8 Cb 0.13 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.23 1t1t n ASP 8 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1t1t n TYR 9 N -0.15 -0.04 -0.71 1.24 4.19 -1.26 -4.88 117.16 115.56 1t1t n TYR 9 Ca 0.00 0.00 0.07 0.00 3.31 0.00 0.00 57.90 61.28 1t1t n TYR 9 Cb 0.00 0.14 0.14 0.00 0.49 0.00 0.00 39.34 40.11 1t1t n TYR 9 CO 0.00 0.00 0.00 0.91 0.91 0.00 0.00 176.86 178.68 1t1t n TRP 10 N -1.77 0.31 -1.31 2.98 8.01 -1.26 -4.94 117.44 119.46 1t1t n TRP 10 Ca 0.00 -0.80 -0.12 0.00 -1.31 0.00 0.00 57.50 55.27 1t1t n TRP 10 Cb 0.00 -0.16 -0.05 0.00 -2.01 0.00 0.00 31.31 29.09 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 -0.74 -4.69 0.03 -0.99 3.02 -1.26 -0.25 115.26 110.37 1t1t n ASN 11 Ca 0.13 0.31 0.08 0.00 -0.03 0.00 0.00 54.58 55.07 1t1t n ASN 11 Cb 0.60 -3.79 0.35 0.00 -0.61 0.00 0.00 39.78 36.32 1t1t n ASN 11 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1t1t n LYS 13 N -1.66 3.06 -3.58 0.00 4.01 -1.26 -4.89 118.16 113.84 1t1t n LYS 13 Ca 0.03 -3.64 -0.26 0.00 -0.51 0.00 0.00 58.31 53.93 1t1t n LYS 13 Cb 0.19 -2.29 -0.02 0.00 -0.51 0.00 0.00 35.03 32.40 1t1t n LYS 13 CO 0.00 0.00 0.00 -2.13 -1.11 0.00 0.00 177.40 174.16 1t1t n ARG 14 N -0.84 -2.82 -0.90 1.97 3.00 -1.12 0.19 116.66 116.14 1t1t n ARG 14 Ca 0.55 0.34 0.00 0.00 -0.00 0.00 0.00 57.85 58.74 1t1t n ARG 14 Cb 0.78 -5.00 0.00 0.00 0.00 0.00 0.00 32.46 28.24 1t1t n ARG 14 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.63 176.74 1t1t n ILE 15 N -3.83 0.00 -3.46 5.15 5.41 -1.26 -4.44 119.36 116.93 1t1t n ILE 15 Ca 0.02 0.00 -0.13 0.00 1.00 0.00 0.00 62.75 63.65 1t1t n ILE 15 Cb 0.51 -0.75 -0.10 0.00 -0.71 0.00 0.00 39.64 38.58 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 5.35 0.00 0.15 0.00 -0.00 -1.25 -4.81 117.44 116.88 1t1t n TRP 17 Ca -0.05 0.00 0.00 0.00 -0.00 0.00 0.00 57.50 57.45 1t1t n TRP 17 Cb 0.50 0.00 0.00 0.00 -0.00 0.00 0.00 31.31 31.81 1t1t n TRP 17 CO 0.00 0.00 0.00 0.98 -0.00 0.00 0.00 177.69 178.67 1t1t n TYR 18 N 0.00 -3.86 -1.18 5.87 9.36 -1.26 -4.93 117.16 121.16 1t1t n TYR 18 Ca 0.00 1.00 -0.29 0.00 3.32 0.00 0.00 57.90 61.94 1t1t n TYR 18 Cb 0.00 2.68 0.19 0.00 -0.63 0.00 0.00 39.34 41.58 1t1t n TYR 18 CO 0.00 0.00 0.00 1.21 0.22 0.00 0.00 176.86 178.29 1t1t s ASN 19 N -1.60 2.35 -0.08 2.98 2.47 -1.26 -4.84 114.94 114.97 1t1t s ASN 19 Ca 0.00 1.07 -0.19 0.00 0.42 0.00 0.00 52.86 54.17 1t1t s ASN 19 Cb 0.00 -1.67 -0.15 0.00 -1.45 0.00 0.00 41.25 37.98 1t1t s ASN 19 CO 0.00 -3.29 0.67 -1.13 -3.72 0.00 0.00 177.10 169.64 1t1t h ASN 20 N -2.00 -0.12 1.01 -4.21 -1.24 -1.99 -3.26 115.58 103.77 1t1t h ASN 20 Ca -0.54 -0.41 0.00 0.00 0.71 0.00 0.00 56.30 56.06 1t1t h ASN 20 Cb 1.33 0.03 0.00 0.00 0.73 0.00 0.00 38.32 40.41 1t1t h ASN 20 CO 0.55 0.52 0.00 0.11 -1.29 0.00 0.00 177.43 177.32 1t1t h LYS 21 N -0.92 0.00 -0.15 6.67 1.57 -1.93 -2.96 116.57 118.85 1t1t h LYS 21 Ca -0.01 0.00 0.04 0.00 -1.87 0.00 0.00 60.65 58.81 1t1t h LYS 21 Cb 0.52 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.83 1t1t h LYS 21 CO 0.02 0.00 0.15 1.88 -0.57 0.00 0.00 179.45 180.93 1t1t h TYR 22 N 0.00 0.00 0.00 -1.35 -1.99 -1.93 -0.73 116.97 110.97 1t1t h TYR 22 Ca 0.00 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.73 1t1t h TYR 22 Cb 0.51 0.00 0.00 0.00 2.00 0.00 0.00 36.73 39.24 1t1t h TYR 22 CO 0.00 0.00 -1.61 0.00 -0.00 0.00 0.00 178.16 176.55 1t1t h ASN 24 N 0.00 0.95 -0.21 0.00 -1.24 -0.94 0.50 115.58 114.64 1t1t h ASN 24 Ca 0.00 -0.57 -0.01 0.00 0.71 0.00 0.00 56.30 56.43 1t1t h ASN 24 Cb 0.88 -0.28 -0.01 0.00 0.73 0.00 0.00 38.32 39.65 1t1t h ASN 24 CO 0.00 1.35 0.08 -0.78 -1.29 0.00 0.00 177.43 176.79 1t1t h ASP 25 N 0.60 0.28 -0.39 1.15 3.58 -1.66 0.19 116.42 120.17 1t1t h ASP 25 Ca -0.01 -0.16 -0.07 0.00 0.42 0.00 0.00 57.03 57.21 1t1t h ASP 25 Cb 1.23 -0.07 -0.01 0.00 1.72 0.00 0.00 39.33 42.19 1t1t h ASP 25 CO 0.13 0.37 -0.02 -0.07 -2.88 0.00 0.00 179.24 176.77 1t1t h LEU 26 N 0.18 0.70 -1.04 2.28 3.38 -1.72 -2.73 115.31 116.36 1t1t h LEU 26 Ca 0.07 -0.32 0.01 0.00 0.09 0.00 0.00 57.88 57.72 1t1t h LEU 26 Cb 0.17 -0.19 -0.05 0.00 0.09 0.00 0.00 40.66 40.68 1t1t h LEU 26 CO -0.01 0.85 0.62 0.00 0.09 0.00 0.00 178.44 179.99 1t1t h LYS 28 N 1.30 0.10 -0.15 0.00 1.57 -0.33 0.20 116.57 119.27 1t1t h LYS 28 Ca 0.35 -0.01 -0.02 0.00 -1.87 0.00 0.00 60.65 59.10 1t1t h LYS 28 Cb -0.13 -0.02 -0.01 0.00 0.08 0.00 0.00 32.23 32.15 1t1t h LYS 28 CO -0.07 0.07 -0.01 0.78 -0.57 0.00 0.00 179.45 179.64 1t1t h GLY 29 N 0.11 0.22 -2.43 3.86 0.00 -0.82 0.19 103.07 104.20 1t1t h GLY 29 Ca 0.03 -0.11 0.00 0.00 0.00 0.00 0.00 47.33 47.25 1t1t h GLY 29 CO -0.01 0.10 0.00 1.04 0.00 0.00 0.00 176.54 177.68 1t1t n LEU 30 N -4.40 3.68 -0.20 3.11 4.77 0.45 -4.85 117.00 119.57 1t1t n LEU 30 Ca -0.01 -1.86 -0.03 0.00 -0.03 0.00 0.00 56.01 54.08 1t1t n LEU 30 Cb 0.17 -0.58 -0.01 0.00 -2.33 0.00 0.00 43.42 40.67 1t1t n LEU 30 CO 0.36 0.49 -0.02 1.17 -1.33 0.00 0.00 177.39 178.05 1t1t n LYS 31 N 0.41 -0.66 -2.68 3.23 3.00 0.66 -3.57 118.16 118.56 1t1t n LYS 31 Ca 0.16 0.38 -0.43 0.00 -0.00 0.00 0.00 58.31 58.42 1t1t n LYS 31 Cb 0.77 -4.02 0.00 0.00 0.00 0.00 0.00 35.03 31.79 1t1t n LYS 31 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1t1t n ALA 32 N 1.05 4.92 -0.18 3.14 0.00 0.31 -3.89 120.51 125.85 1t1t n ALA 32 Ca -0.03 -4.42 -0.10 0.00 0.00 0.00 0.00 53.44 48.89 1t1t n ALA 32 Cb 0.20 -2.84 -0.08 0.00 0.00 0.00 0.00 19.45 16.74 1t1t n ALA 32 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 1t1t h ASP 33 N 6.06 -1.58 -0.73 0.00 3.32 -1.80 -3.11 116.42 118.58 1t1t h ASP 33 Ca 0.32 0.22 -0.45 0.00 0.02 0.00 0.00 57.03 57.14 1t1t h ASP 33 Cb 0.70 0.66 -0.06 0.00 0.22 0.00 0.00 39.33 40.85 1t1t h ASP 33 CO 1.44 -0.28 1.34 -0.44 -1.72 0.00 0.00 179.24 179.59 1t1t s SER 34 N -4.72 5.75 -0.18 6.45 0.01 -1.25 -4.75 113.70 115.01 1t1t s SER 34 Ca -0.11 -1.59 0.01 0.00 1.31 0.00 0.00 55.95 55.57 1t1t s SER 34 Cb 0.07 -2.58 0.04 0.00 0.21 0.00 0.00 66.02 63.76 1t1t s SER 34 CO 0.49 -2.26 -0.11 -0.83 0.41 0.00 0.00 173.24 170.94 1t1t s GLY 35 N 6.04 1.23 0.02 3.44 0.00 -1.18 -1.27 107.32 115.60 1t1t s GLY 35 Ca 0.61 -1.12 0.00 0.00 0.00 0.00 0.00 44.72 44.22 1t1t s GLY 35 CO 0.05 0.65 -0.03 -2.52 0.00 0.00 0.00 173.10 171.24 1t1t s TYR 36 N 1.42 0.30 -0.12 1.90 -0.85 -0.82 -2.74 117.35 116.44 1t1t s TYR 36 Ca 0.01 -0.39 -0.07 0.00 -0.52 0.00 0.00 57.07 56.09 1t1t s TYR 36 Cb -0.15 -0.20 -0.04 0.00 0.38 0.00 0.00 41.96 41.95 1t1t s TYR 36 CO -0.09 -0.12 0.13 0.00 -1.52 0.00 0.00 175.55 173.95 1t1t s TRP 38 N -0.97 2.45 -0.55 0.00 -0.11 -1.04 -4.69 118.94 114.04 1t1t s TRP 38 Ca 0.15 0.25 -0.16 0.00 1.22 0.00 0.00 56.10 57.56 1t1t s TRP 38 Cb -0.12 -4.55 -0.14 0.00 -1.50 0.00 0.00 33.47 27.16 1t1t s TRP 38 CO 0.04 -1.81 1.77 0.41 -4.62 0.00 0.00 176.95 172.74 1t1t n GLY 39 N 5.20 2.21 2.08 5.86 0.00 -1.26 -3.54 105.19 115.74 1t1t n GLY 39 Ca 0.07 -0.89 0.00 0.00 0.00 0.00 0.00 46.02 45.20 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 6.43 -3.48 0.00 1.61 -0.00 -1.26 -5.04 117.44 115.70 1t1t n TRP 40 Ca 0.40 0.72 0.00 0.00 -0.00 0.00 0.00 57.50 58.62 1t1t n TRP 40 Cb 0.26 2.07 0.00 0.00 -0.00 0.00 0.00 31.31 33.64 1t1t n TRP 40 CO 0.00 0.00 0.00 -2.37 -0.00 0.00 0.00 177.69 175.32 1t1t n THR 41 N -2.91 0.00 -1.09 5.87 5.66 -1.23 -5.01 114.28 115.57 1t1t n THR 41 Ca 0.00 0.00 0.10 0.00 -3.05 0.00 0.00 64.05 61.10 1t1t n THR 41 Cb 0.00 0.00 0.15 0.00 -1.55 0.00 0.00 70.33 68.93 1t1t n THR 41 CO 0.00 0.00 0.00 0.18 -3.05 0.00 0.00 175.07 172.20 1t1t n LEU 42 N 0.00 2.52 0.00 1.09 4.77 -1.26 -5.10 117.00 119.02 1t1t n LEU 42 Ca 0.00 -3.13 0.01 0.00 -0.03 0.00 0.00 56.01 52.86 1t1t n LEU 42 Cb 0.00 -0.45 -0.00 0.00 -2.33 0.00 0.00 43.42 40.64 1t1t n LEU 42 CO 0.00 0.74 -0.01 -1.20 -1.33 0.00 0.00 177.39 175.59 1t1t n SER 43 N -1.34 -4.76 -4.87 -1.43 7.64 -1.26 -4.73 113.62 102.87 1t1t n SER 43 Ca 0.17 0.05 -0.30 0.00 1.01 0.00 0.00 58.87 59.80 1t1t n SER 43 Cb 0.67 -0.15 0.04 0.00 -1.01 0.00 0.00 64.21 63.76 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 -3.27 -0.56 0.10 0.00 6.14 0.03 -3.94 117.35 115.85 1t1t s TYR 45 Ca 0.58 -0.08 0.09 0.00 0.64 0.00 0.00 57.07 58.29 1t1t s TYR 45 Cb -0.12 -0.41 -0.03 0.00 0.42 0.00 0.00 41.96 41.82 1t1t s TYR 45 CO 0.53 -0.93 -0.23 0.00 0.64 0.00 0.00 175.55 175.56 1t1t s GLN 47 N -1.81 0.88 0.00 0.00 1.11 -0.39 -1.92 119.66 117.53 1t1t s GLN 47 Ca 0.09 -0.40 0.00 0.00 0.01 0.00 0.00 55.36 55.06 1t1t s GLN 47 Cb -0.10 -0.85 0.00 0.00 -1.01 0.00 0.00 33.01 31.05 1t1t s GLN 47 CO 0.04 0.23 0.00 0.41 0.01 0.00 0.00 175.29 175.99 1t1t n GLY 48 N 2.78 1.58 4.00 3.09 0.00 -0.02 -3.76 105.19 112.86 1t1t n GLY 48 Ca -0.14 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.70 1t1t n GLY 48 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 1t1t s LEU 49 N 0.00 3.74 0.79 0.99 2.34 -1.00 -3.62 118.68 121.92 1t1t s LEU 49 Ca 0.00 -0.31 -0.11 0.00 0.06 0.00 0.00 54.13 53.78 1t1t s LEU 49 Cb 0.00 -2.71 0.07 0.00 -0.56 0.00 0.00 46.19 42.98 1t1t s LEU 49 CO 0.00 -0.67 1.09 -2.16 -1.06 0.00 0.00 176.35 173.55 1t1t s PRO 50 N -4.32 2.11 0.43 1.48 0.04 -1.23 -0.11 135.00 133.41 1t1t s PRO 50 Ca 0.52 1.06 0.30 0.00 0.04 0.00 0.00 61.00 62.91 1t1t s PRO 50 Cb -0.10 -1.89 1.53 0.00 0.04 0.00 0.00 34.50 34.09 1t1t s PRO 50 CO 0.33 -1.71 1.90 0.22 0.04 0.00 0.00 177.00 177.78 1t1t h ASP 51 N -1.17 0.00 -0.49 6.66 3.58 -1.96 0.58 116.42 123.62 1t1t h ASP 51 Ca -0.45 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.00 1t1t h ASP 51 Cb 1.24 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.29 1t1t h ASP 51 CO 0.53 0.00 0.00 -3.20 -2.88 0.00 0.00 179.24 173.69 1t1t n ASN 52 N -2.56 3.76 -4.64 2.28 2.85 -1.26 -4.97 115.26 110.73 1t1t n ASN 52 Ca -0.01 -2.35 -0.38 0.00 -0.11 0.00 0.00 54.58 51.73 1t1t n ASN 52 Cb 0.09 -0.51 0.05 0.00 1.24 0.00 0.00 39.78 40.66 1t1t n ASN 52 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 1t1t n ALA 53 N 0.80 0.41 -3.03 5.20 0.00 0.19 -4.90 120.51 119.19 1t1t n ALA 53 Ca 0.20 0.02 -0.45 0.00 0.00 0.00 0.00 53.44 53.21 1t1t n ALA 53 Cb 0.72 -2.16 -0.02 0.00 0.00 0.00 0.00 19.45 17.99 1t1t n ALA 53 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 1t1t s ARG 54 N -2.83 3.67 0.11 0.00 0.52 -1.26 -4.99 118.95 114.18 1t1t s ARG 54 Ca 0.76 -2.05 0.04 0.00 -0.52 0.00 0.00 55.73 53.97 1t1t s ARG 54 Cb -0.42 -4.82 -0.04 0.00 0.52 0.00 0.00 34.95 30.20 1t1t s ARG 54 CO 0.47 -1.65 -0.11 0.96 0.02 0.00 0.00 175.30 174.98 1t1t s ILE 55 N 1.90 1.08 -1.32 1.52 -0.00 -1.26 -1.91 121.20 121.21 1t1t s ILE 55 Ca 0.31 -1.74 -0.19 0.00 -0.00 0.00 0.00 60.65 59.02 1t1t s ILE 55 Cb -0.06 -1.49 0.02 0.00 -0.00 0.00 0.00 42.46 40.93 1t1t s ILE 55 CO -0.08 -0.56 0.47 0.29 -0.00 0.00 0.00 174.94 175.06 1t1t n LYS 56 N 0.41 -0.92 0.00 0.37 5.02 -0.77 -4.81 118.16 117.47 1t1t n LYS 56 Ca -0.15 0.16 0.13 0.00 -2.02 0.00 0.00 58.31 56.44 1t1t n LYS 56 Cb 0.58 -3.25 0.44 0.00 -0.02 0.00 0.00 35.03 32.77 1t1t n LYS 56 CO 0.00 0.00 0.00 -2.13 -0.52 0.00 0.00 177.40 174.75 1t1t n ARG 57 N -4.75 0.62 -1.31 1.97 0.00 -1.26 -5.05 116.66 106.89 1t1t n ARG 57 Ca -0.19 -0.31 0.16 0.00 -0.00 0.00 0.00 57.85 57.51 1t1t n ARG 57 Cb 0.62 -1.49 -0.05 0.00 0.00 0.00 0.00 32.46 31.53 1t1t n ARG 57 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.63 178.08 1t1t n SER 58 N -0.92 -7.54 0.00 6.15 2.88 -1.26 -5.05 113.62 107.89 1t1t n SER 58 Ca 0.11 0.77 0.00 0.00 -1.33 0.00 0.00 58.87 58.43 1t1t n SER 58 Cb 0.32 -4.16 0.00 0.00 -0.75 0.00 0.00 64.21 59.62 1t1t n SER 58 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1t1t n GLY 59 N -3.92 1.99 3.69 0.46 0.00 -1.26 -4.94 105.19 101.20 1t1t n GLY 59 Ca -0.02 -1.44 -0.29 0.00 0.00 0.00 0.00 46.02 44.27 1t1t n GLY 59 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1t1t s ARG 60 N -5.05 -0.05 -0.68 1.61 3.00 -1.26 -4.75 118.95 111.77 1t1t s ARG 60 Ca 0.00 0.17 -0.36 0.00 0.00 0.00 0.00 55.73 55.54 1t1t s ARG 60 Cb 0.00 -1.71 -0.18 0.00 0.00 0.00 0.00 34.95 33.06 1t1t s ARG 60 CO 0.00 -2.98 2.40 0.00 0.00 0.00 0.00 175.30 174.73 1t1t n ARG 62 N 8.15 2.23 0.00 0.00 3.00 0.65 -4.89 116.66 125.81 1t1t n ARG 62 Ca 0.56 -1.85 0.00 0.00 -0.01 0.00 0.00 57.85 56.55 1t1t n ARG 62 Cb 0.08 -2.07 0.00 0.00 0.00 0.00 0.00 32.46 30.48 1t1t n ARG 62 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63