#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1c04 s ILE 2 N 0.00 3.64 0.11 2.02 1.01 -1.26 -4.96 121.20 121.77 1c04 s ILE 2 Ca 0.00 1.00 -0.00 0.00 0.00 0.00 0.00 60.65 61.65 1c04 s ILE 2 Cb 0.00 -3.64 0.00 0.00 0.01 0.00 0.00 42.46 38.83 1c04 s ILE 2 CO 0.00 -0.01 0.16 0.00 0.00 0.00 0.00 174.94 175.08 1c04 n GLN 3 N 5.62 0.23 -1.68 2.79 10.64 -1.26 -1.28 117.38 132.43 1c04 n GLN 3 Ca 0.14 -0.92 -0.44 0.00 -1.83 0.00 0.00 57.00 53.95 1c04 n GLN 3 Cb 0.43 0.88 -0.02 0.00 -0.86 0.00 0.00 30.24 30.67 1c04 n GLN 3 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.06 175.23 1c04 n GLN 4 N -0.19 2.07 -0.96 2.61 10.64 -1.26 -1.54 117.38 128.74 1c04 n GLN 4 Ca 0.00 0.73 0.00 0.00 -1.83 0.00 0.00 57.00 55.90 1c04 n GLN 4 Cb 0.19 -2.35 0.00 0.00 -0.86 0.00 0.00 30.24 27.22 1c04 n GLN 4 CO 0.00 0.00 0.00 0.39 -1.83 0.00 0.00 177.06 175.62 1c04 n GLU 5 N 1.45 -0.28 -2.45 2.61 1.02 0.18 -4.95 120.64 118.22 1c04 n GLU 5 Ca 0.09 0.07 -0.37 0.00 -0.02 0.00 0.00 57.16 56.92 1c04 n GLU 5 Cb 0.33 -3.26 -0.03 0.00 -0.02 0.00 0.00 31.44 28.46 1c04 n GLU 5 CO 0.00 0.00 0.00 -1.12 1.18 0.00 0.00 177.13 177.19 1c04 s SER 6 N -2.29 6.70 -0.16 1.62 0.01 -0.59 -4.69 113.70 114.30 1c04 s SER 6 Ca 0.00 2.16 -0.09 0.00 1.31 0.00 0.00 55.95 59.33 1c04 s SER 6 Cb 0.00 -2.60 -0.05 0.00 0.21 0.00 0.00 66.02 63.59 1c04 s SER 6 CO 0.00 -0.54 0.15 -0.13 0.41 0.00 0.00 173.24 173.13 1c04 s ARG 7 N -2.36 3.87 -0.02 12.44 0.52 -1.26 -0.87 118.95 131.27 1c04 s ARG 7 Ca 0.57 -0.15 0.06 0.00 -0.52 0.00 0.00 55.73 55.69 1c04 s ARG 7 Cb -0.26 -3.32 -0.01 0.00 0.52 0.00 0.00 34.95 31.88 1c04 s ARG 7 CO 0.32 0.51 -0.21 -0.51 0.02 0.00 0.00 175.30 175.43 1c04 s LEU 8 N -0.25 2.03 0.52 2.53 1.43 -0.04 -4.91 118.68 119.99 1c04 s LEU 8 Ca 0.12 -0.39 -0.18 0.00 -1.03 0.00 0.00 54.13 52.65 1c04 s LEU 8 Cb -0.12 -1.10 -0.07 0.00 0.03 0.00 0.00 46.19 44.94 1c04 s LEU 8 CO 0.01 0.25 1.02 -0.54 0.23 0.00 0.00 176.35 177.32 1c04 s LYS 9 N -0.43 3.74 -0.27 1.70 -0.14 -0.64 -1.49 119.74 122.22 1c04 s LYS 9 Ca 0.07 1.19 -0.09 0.00 -1.36 0.00 0.00 55.97 55.78 1c04 s LYS 9 Cb -0.09 -2.10 -0.03 0.00 -1.68 0.00 0.00 37.83 33.93 1c04 s LYS 9 CO -0.00 -0.46 0.12 0.08 -0.76 0.00 0.00 175.35 174.33 1c04 s VAL 10 N -2.29 4.67 -0.40 3.17 1.01 -1.08 -0.95 120.40 124.53 1c04 s VAL 10 Ca 0.64 -0.09 -0.01 0.00 0.00 0.00 0.00 61.98 62.52 1c04 s VAL 10 Cb -0.14 -3.22 0.30 0.00 0.00 0.00 0.00 36.38 33.32 1c04 s VAL 10 CO 0.27 0.28 1.96 0.00 0.00 0.00 0.00 175.10 177.61 1c04 n ALA 11 N 4.97 5.31 -4.04 5.51 0.00 0.36 -4.91 120.51 127.72 1c04 n ALA 11 Ca -0.15 -2.11 -0.18 0.00 0.00 0.00 0.00 53.44 51.00 1c04 n ALA 11 Cb 0.51 -1.46 -0.05 0.00 0.00 0.00 0.00 19.45 18.45 1c04 n ALA 11 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 1c04 n ASP 12 N -0.08 -0.82 -1.59 0.00 5.68 -1.26 -4.43 116.55 114.04 1c04 n ASP 12 Ca 0.39 -2.84 -0.12 0.00 -0.50 0.00 0.00 54.79 51.71 1c04 n ASP 12 Cb 0.69 1.73 0.19 0.00 -1.14 0.00 0.00 41.12 42.60 1c04 n ASP 12 CO 0.00 0.00 0.00 -0.46 -1.33 0.00 0.00 177.20 175.41 1c04 n ASN 13 N -1.79 2.97 0.24 -1.12 6.94 -0.86 -4.61 115.26 117.04 1c04 n ASN 13 Ca 0.05 -3.73 0.10 0.00 -0.02 0.00 0.00 54.58 50.98 1c04 n ASN 13 Cb 0.53 -0.72 0.63 0.00 -2.36 0.00 0.00 39.78 37.85 1c04 n ASN 13 CO 0.00 0.00 0.00 0.77 -1.03 0.00 0.00 177.26 177.00 1c04 h SER 14 N 1.01 0.00 0.00 0.53 4.64 -1.87 -3.19 113.55 114.67 1c04 h SER 14 Ca 0.39 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.71 1c04 h SER 14 Cb 2.14 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 64.23 1c04 h SER 14 CO 0.68 0.17 0.00 0.61 -0.87 0.00 0.00 176.83 177.42 1c04 n GLY 15 N -0.69 0.68 3.76 -0.77 0.00 -1.26 -4.28 105.19 102.64 1c04 n GLY 15 Ca -0.02 -0.09 -0.40 0.00 0.00 0.00 0.00 46.02 45.51 1c04 n GLY 15 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1c04 s ALA 16 N -0.86 3.45 -0.12 4.61 0.00 -1.26 -1.24 121.76 126.34 1c04 s ALA 16 Ca 0.00 1.07 0.07 0.00 0.00 0.00 0.00 51.96 53.10 1c04 s ALA 16 Cb 0.00 -3.40 -0.12 0.00 0.00 0.00 0.00 23.12 19.60 1c04 s ALA 16 CO 0.00 -0.39 -0.01 0.54 0.00 0.00 0.00 175.76 175.90 1c04 n ARG 17 N 1.01 1.67 -3.65 0.00 1.74 0.79 -4.67 116.66 113.55 1c04 n ARG 17 Ca -0.01 0.02 -0.14 0.00 -0.77 0.00 0.00 57.85 56.95 1c04 n ARG 17 Cb 0.43 -1.28 -0.08 0.00 -1.02 0.00 0.00 32.46 30.52 1c04 n ARG 17 CO 0.00 0.00 0.00 -2.00 -1.52 0.00 0.00 177.63 174.11 1c04 s GLU 18 N -2.27 0.77 0.21 5.56 2.12 -1.08 -2.63 118.70 121.37 1c04 s GLU 18 Ca -0.09 0.64 0.08 0.00 0.36 0.00 0.00 54.97 55.95 1c04 s GLU 18 Cb 0.04 0.37 -0.05 0.00 0.26 0.00 0.00 34.13 34.75 1c04 s GLU 18 CO 0.41 -0.14 -0.14 0.14 -0.54 0.00 0.00 175.26 174.99 1c04 s VAL 19 N -0.11 1.74 -0.18 3.70 -7.23 -0.56 -0.34 120.40 117.43 1c04 s VAL 19 Ca -0.03 -2.21 0.01 0.00 -1.81 0.00 0.00 61.98 57.93 1c04 s VAL 19 Cb -0.03 -2.06 0.02 0.00 0.56 0.00 0.00 36.38 34.87 1c04 s VAL 19 CO 0.03 -0.59 -0.20 -0.22 -0.31 0.00 0.00 175.10 173.81 1c04 s LEU 20 N -3.32 2.11 0.17 1.32 2.96 -0.05 -0.86 118.68 121.02 1c04 s LEU 20 Ca 0.23 -0.64 -0.32 0.00 -0.22 0.00 0.00 54.13 53.18 1c04 s LEU 20 Cb -0.01 -1.46 -0.10 0.00 0.50 0.00 0.00 46.19 45.12 1c04 s LEU 20 CO 0.07 -0.00 1.58 -0.69 -1.32 0.00 0.00 176.35 175.98 1c04 s VAL 21 N 1.30 2.57 -0.26 1.68 1.01 -0.05 -1.43 120.40 125.22 1c04 s VAL 21 Ca 0.05 0.41 -0.13 0.00 0.00 0.00 0.00 61.98 62.31 1c04 s VAL 21 Cb -0.13 -3.26 -0.11 0.00 0.00 0.00 0.00 36.38 32.88 1c04 s VAL 21 CO -0.13 0.03 -0.34 -0.38 0.00 0.00 0.00 175.10 174.29 1c04 n ILE 22 N 3.88 1.43 -3.57 2.22 5.41 0.23 0.49 119.36 129.45 1c04 n ILE 22 Ca 0.14 -0.37 -0.13 0.00 1.00 0.00 0.00 62.75 63.39 1c04 n ILE 22 Cb 0.38 -1.85 -0.05 0.00 -0.71 0.00 0.00 39.64 37.41 1c04 n ILE 22 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 176.55 174.96 1c04 s LYS 23 N -2.48 1.06 -0.24 0.38 -2.85 -1.11 -4.66 119.74 109.84 1c04 s LYS 23 Ca -0.36 -0.36 -0.11 0.00 -1.00 0.00 0.00 55.97 54.13 1c04 s LYS 23 Cb 0.14 0.48 -0.05 0.00 -2.06 0.00 0.00 37.83 36.34 1c04 s LYS 23 CO 0.46 -0.40 0.17 0.08 0.10 0.00 0.00 175.35 175.76 1c04 s VAL 24 N -2.87 5.35 0.65 1.79 1.01 -1.26 -1.37 120.40 123.69 1c04 s VAL 24 Ca -0.03 0.20 -0.12 0.00 0.00 0.00 0.00 61.98 62.03 1c04 s VAL 24 Cb -0.00 -3.51 -0.02 0.00 0.00 0.00 0.00 36.38 32.85 1c04 s VAL 24 CO -0.05 0.33 1.04 -0.76 0.00 0.00 0.00 175.10 175.66 1c04 s LEU 25 N 1.15 3.23 0.00 3.92 1.43 -0.39 -4.66 118.68 123.37 1c04 s LEU 25 Ca 0.08 1.56 0.00 0.00 -1.03 0.00 0.00 54.13 54.74 1c04 s LEU 25 Cb -0.14 -4.49 0.00 0.00 0.03 0.00 0.00 46.19 41.59 1c04 s LEU 25 CO 0.05 -1.15 0.00 0.61 0.23 0.00 0.00 176.35 176.09 1c04 n GLY 26 N -2.15 0.49 0.00 -3.19 0.00 -1.26 -4.74 105.19 94.34 1c04 n GLY 26 Ca 0.07 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.09 1c04 n GLY 26 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1c04 n GLY 27 N 0.00 3.22 3.65 -0.02 0.00 -1.26 -4.92 105.19 105.87 1c04 n GLY 27 Ca 0.00 -1.83 -0.47 0.00 0.00 0.00 0.00 46.02 43.72 1c04 n GLY 27 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1c04 n SER 28 N 0.00 2.66 0.00 1.61 2.88 -1.26 -1.93 113.62 117.57 1c04 n SER 28 Ca 0.00 1.10 0.00 0.00 -1.33 0.00 0.00 58.87 58.64 1c04 n SER 28 Cb 0.00 -1.37 0.00 0.00 -0.75 0.00 0.00 64.21 62.09 1c04 n SER 28 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1c04 n GLY 29 N 2.93 2.49 3.72 0.46 0.00 -1.26 -5.06 105.19 108.47 1c04 n GLY 29 Ca 0.16 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.76 1c04 n GLY 29 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1c04 s ARG 30 N -0.29 4.28 0.00 1.61 0.52 -0.81 -4.86 118.95 119.40 1c04 s ARG 30 Ca 0.00 2.19 0.00 0.00 -0.52 0.00 0.00 55.73 57.40 1c04 s ARG 30 Cb 0.00 -3.20 0.00 0.00 0.52 0.00 0.00 34.95 32.27 1c04 s ARG 30 CO 0.00 -0.48 0.00 -2.13 0.02 0.00 0.00 175.30 172.71 1c04 n ARG 31 N 3.75 1.84 -5.25 3.54 0.63 -1.26 -4.63 116.66 115.27 1c04 n ARG 31 Ca 0.12 0.00 -0.31 0.00 -0.92 0.00 0.00 57.85 56.73 1c04 n ARG 31 Cb 0.41 -0.71 -0.16 0.00 0.45 0.00 0.00 32.46 32.46 1c04 n ARG 31 CO 0.00 0.00 0.00 0.71 -2.51 0.00 0.00 177.63 175.83 1c04 s TYR 32 N -1.35 2.36 -0.02 -0.14 2.02 -1.26 -4.35 117.35 114.61 1c04 s TYR 32 Ca 0.00 -0.41 0.03 0.00 -0.37 0.00 0.00 57.07 56.32 1c04 s TYR 32 Cb 0.00 -1.51 -0.03 0.00 -0.40 0.00 0.00 41.96 40.02 1c04 s TYR 32 CO 0.00 -0.01 -0.09 0.00 -1.57 0.00 0.00 175.55 173.87 1c04 s ALA 33 N -0.63 2.90 0.24 3.71 0.00 -0.41 -5.01 121.76 122.56 1c04 s ALA 33 Ca 0.10 -1.01 0.04 0.00 0.00 0.00 0.00 51.96 51.10 1c04 s ALA 33 Cb -0.10 -1.07 -0.02 0.00 0.00 0.00 0.00 23.12 21.93 1c04 s ALA 33 CO -0.01 0.59 0.16 -1.71 0.00 0.00 0.00 175.76 174.79 1c04 n ASN 34 N 1.82 0.09 -4.63 0.00 2.85 -1.26 -4.10 115.26 110.04 1c04 n ASN 34 Ca -0.16 -2.45 -0.52 0.00 -0.11 0.00 0.00 54.58 51.34 1c04 n ASN 34 Cb 0.52 0.96 -0.06 0.00 1.24 0.00 0.00 39.78 42.44 1c04 n ASN 34 CO 0.00 0.00 0.00 -0.38 -2.11 0.00 0.00 177.26 174.77 1c04 n ILE 35 N -0.49 0.08 0.00 -1.44 5.41 -1.26 -1.56 119.36 120.10 1c04 n ILE 35 Ca 0.02 -0.02 0.00 0.00 1.00 0.00 0.00 62.75 63.75 1c04 n ILE 35 Cb 0.40 -1.04 0.00 0.00 -0.71 0.00 0.00 39.64 38.30 1c04 n ILE 35 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 1c04 n GLY 36 N 3.03 3.14 3.82 7.39 0.00 -0.24 -5.00 105.19 117.33 1c04 n GLY 36 Ca 0.20 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.89 1c04 n GLY 36 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1c04 s ASP 37 N -1.12 6.40 -0.12 1.61 1.01 -0.60 -4.79 116.67 119.05 1c04 s ASP 37 Ca 0.00 1.70 -0.02 0.00 0.71 0.00 0.00 52.55 54.94 1c04 s ASP 37 Cb 0.00 -2.53 -0.03 0.00 1.01 0.00 0.00 42.92 41.38 1c04 s ASP 37 CO 0.00 -0.74 -0.06 -0.69 0.21 0.00 0.00 175.17 173.89 1c04 s VAL 38 N -2.43 3.72 0.23 -1.27 1.01 -1.26 -1.15 120.40 119.25 1c04 s VAL 38 Ca 0.62 -0.44 0.12 0.00 0.00 0.00 0.00 61.98 62.27 1c04 s VAL 38 Cb -0.12 -2.58 -0.05 0.00 0.00 0.00 0.00 36.38 33.63 1c04 s VAL 38 CO 0.29 0.53 -0.21 0.68 0.00 0.00 0.00 175.10 176.39 1c04 s VAL 39 N -0.04 2.48 -0.17 2.92 -7.23 0.22 -1.26 120.40 117.33 1c04 s VAL 39 Ca 0.00 -2.19 -0.07 0.00 -1.81 0.00 0.00 61.98 57.92 1c04 s VAL 39 Cb -0.13 -2.25 -0.04 0.00 0.56 0.00 0.00 36.38 34.52 1c04 s VAL 39 CO 0.03 -0.25 0.06 -0.69 -0.31 0.00 0.00 175.10 173.93 1c04 s VAL 40 N -2.08 4.77 0.15 1.32 1.01 -0.47 -1.25 120.40 123.86 1c04 s VAL 40 Ca 0.25 -0.05 -0.08 0.00 0.00 0.00 0.00 61.98 62.11 1c04 s VAL 40 Cb -0.07 -3.13 -0.01 0.00 0.00 0.00 0.00 36.38 33.17 1c04 s VAL 40 CO 0.13 0.48 0.24 0.00 0.00 0.00 0.00 175.10 175.95 1c04 s ALA 41 N 0.18 0.13 -0.09 5.51 0.00 -0.02 -0.60 121.76 126.86 1c04 s ALA 41 Ca 0.04 -0.96 -0.02 0.00 0.00 0.00 0.00 51.96 51.03 1c04 s ALA 41 Cb -0.12 0.83 -0.03 0.00 0.00 0.00 0.00 23.12 23.80 1c04 s ALA 41 CO 0.01 -0.61 -0.02 0.95 0.00 0.00 0.00 175.76 176.09 1c04 s THR 42 N -3.97 4.16 -0.15 0.00 -4.23 -0.51 -0.40 115.64 110.53 1c04 s THR 42 Ca 0.17 -0.30 -0.29 0.00 -1.18 0.00 0.00 61.69 60.09 1c04 s THR 42 Cb 0.04 -2.75 -0.03 0.00 1.34 0.00 0.00 72.50 71.11 1c04 s THR 42 CO -0.01 0.59 1.41 -0.69 -0.54 0.00 0.00 174.62 175.38 1c04 s VAL 43 N -0.74 4.02 -0.08 2.29 1.01 0.26 -0.87 120.40 126.30 1c04 s VAL 43 Ca 0.11 1.22 -0.05 0.00 0.00 0.00 0.00 61.98 63.27 1c04 s VAL 43 Cb -0.11 -3.83 -0.27 0.00 0.00 0.00 0.00 36.38 32.16 1c04 s VAL 43 CO 0.02 -0.16 0.52 0.50 0.00 0.00 0.00 175.10 175.98 1c04 h LYS 44 N 8.90 0.26 -3.54 2.72 3.64 -1.01 0.34 116.57 127.88 1c04 h LYS 44 Ca -0.31 -0.45 -0.19 0.00 -1.27 0.00 0.00 60.65 58.44 1c04 h LYS 44 Cb 1.13 0.17 -0.25 0.00 -0.41 0.00 0.00 32.23 32.87 1c04 h LYS 44 CO 0.97 1.15 -0.58 0.34 -2.27 0.00 0.00 179.45 179.06 1c04 s ASP 45 N -6.98 -0.04 0.10 4.20 2.15 -1.04 -4.84 116.67 110.22 1c04 s ASP 45 Ca -0.17 0.04 -0.17 0.00 0.43 0.00 0.00 52.55 52.67 1c04 s ASP 45 Cb 0.06 0.20 0.04 0.00 -0.30 0.00 0.00 42.92 42.93 1c04 s ASP 45 CO 0.80 -0.14 0.41 0.00 -0.17 0.00 0.00 175.17 176.08 1c04 s ALA 46 N -0.44 -0.99 0.15 3.66 0.00 -1.26 -0.15 121.76 122.73 1c04 s ALA 46 Ca -0.05 0.09 -0.30 0.00 0.00 0.00 0.00 51.96 51.70 1c04 s ALA 46 Cb -0.03 0.59 -0.07 0.00 0.00 0.00 0.00 23.12 23.61 1c04 s ALA 46 CO 0.00 -0.59 1.13 0.95 0.00 0.00 0.00 175.76 177.26 1c04 s THR 47 N -3.40 3.88 0.62 0.00 -4.23 -0.37 -4.91 115.64 107.24 1c04 s THR 47 Ca 0.00 1.54 -0.19 0.00 -1.18 0.00 0.00 61.69 61.87 1c04 s THR 47 Cb 0.01 -3.99 -0.02 0.00 1.34 0.00 0.00 72.50 69.84 1c04 s THR 47 CO -0.09 0.23 1.29 -2.16 -0.54 0.00 0.00 174.62 173.34 1c04 s PRO 48 N 0.00 2.73 0.00 3.99 0.04 -1.26 -3.21 135.00 137.29 1c04 s PRO 48 Ca 0.52 2.05 0.00 0.00 0.04 0.00 0.00 61.00 63.61 1c04 s PRO 48 Cb -0.30 -1.93 0.00 0.00 0.04 0.00 0.00 34.50 32.31 1c04 s PRO 48 CO 0.34 -1.45 0.00 0.41 0.04 0.00 0.00 177.00 176.34 1c04 n GLY 49 N 0.80 0.37 3.63 0.56 0.00 -1.26 -5.02 105.19 104.27 1c04 n GLY 49 Ca 0.15 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.94 1c04 n GLY 49 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1c04 n GLY 50 N -1.75 0.45 0.19 -0.02 0.00 -1.20 -5.01 105.19 97.85 1c04 n GLY 50 Ca 0.00 -2.00 -0.01 0.00 0.00 0.00 0.00 46.02 44.01 1c04 n GLY 50 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 173.32 173.08 1c04 h VAL 51 N -0.70 1.32 -3.17 1.61 3.04 -1.90 -3.42 116.25 113.03 1c04 h VAL 51 Ca -0.32 -1.58 -0.66 0.00 -1.01 0.00 0.00 66.70 63.13 1c04 h VAL 51 Cb 1.14 1.76 -0.14 0.00 -2.01 0.00 0.00 31.29 32.04 1c04 h VAL 51 CO 0.33 0.47 -0.58 -0.69 -1.01 0.00 0.00 177.57 176.08 1c04 s VAL 52 N -4.06 4.63 0.22 1.51 1.01 -1.26 -5.11 120.40 117.33 1c04 s VAL 52 Ca -0.04 -0.12 0.10 0.00 0.00 0.00 0.00 61.98 61.92 1c04 s VAL 52 Cb 0.13 -2.99 -0.05 0.00 0.00 0.00 0.00 36.38 33.48 1c04 s VAL 52 CO 0.76 0.58 -0.18 -0.75 0.00 0.00 0.00 175.10 175.51 1c04 s LYS 53 N -0.63 1.44 0.39 2.72 2.47 -1.26 -4.75 119.74 120.11 1c04 s LYS 53 Ca 0.11 -1.59 -0.27 0.00 -1.56 0.00 0.00 55.97 52.65 1c04 s LYS 53 Cb -0.12 -1.44 -0.10 0.00 -1.46 0.00 0.00 37.83 34.71 1c04 s LYS 53 CO 0.02 0.27 1.42 0.15 0.16 0.00 0.00 175.35 177.38 1c04 s LYS 54 N -3.28 4.05 0.00 4.03 1.02 -1.26 -2.30 119.74 122.00 1c04 s LYS 54 Ca 0.23 2.44 0.00 0.00 0.02 0.00 0.00 55.97 58.66 1c04 s LYS 54 Cb -0.04 -2.90 0.00 0.00 -0.52 0.00 0.00 37.83 34.37 1c04 s LYS 54 CO 0.10 -0.53 0.00 0.41 -0.92 0.00 0.00 175.35 174.41 1c04 n GLY 55 N 0.56 2.81 3.79 -3.33 0.00 0.11 -4.96 105.19 104.17 1c04 n GLY 55 Ca 0.02 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.70 1c04 n GLY 55 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1c04 s GLN 56 N -0.45 3.60 -0.19 1.61 -0.21 -0.97 -4.68 119.66 118.38 1c04 s GLN 56 Ca 0.00 1.42 -0.10 0.00 0.02 0.00 0.00 55.36 56.70 1c04 s GLN 56 Cb 0.00 -2.06 -0.05 0.00 1.00 0.00 0.00 33.01 31.90 1c04 s GLN 56 CO 0.00 -0.61 0.15 0.08 -2.12 0.00 0.00 175.29 172.79 1c04 s VAL 57 N -1.97 5.40 0.25 1.09 1.01 -1.26 -0.57 120.40 124.35 1c04 s VAL 57 Ca 0.69 0.24 0.01 0.00 0.00 0.00 0.00 61.98 62.92 1c04 s VAL 57 Cb -0.19 -3.49 -0.05 0.00 0.00 0.00 0.00 36.38 32.66 1c04 s VAL 57 CO 0.24 0.45 0.08 0.68 0.00 0.00 0.00 175.10 176.55 1c04 s VAL 58 N 0.24 0.61 -0.03 2.92 -7.23 0.46 -4.97 120.40 112.40 1c04 s VAL 58 Ca 0.10 -2.00 0.02 0.00 -1.81 0.00 0.00 61.98 58.29 1c04 s VAL 58 Cb -0.11 -2.55 -0.03 0.00 0.56 0.00 0.00 36.38 34.24 1c04 s VAL 58 CO -0.01 -0.08 -0.06 -0.54 -0.31 0.00 0.00 175.10 174.10 1c04 s LYS 59 N -4.01 2.67 -0.05 4.82 1.02 -1.26 -0.84 119.74 122.09 1c04 s LYS 59 Ca 0.35 -0.63 -0.11 0.00 0.02 0.00 0.00 55.97 55.61 1c04 s LYS 59 Cb 0.07 -2.56 0.02 0.00 -0.52 0.00 0.00 37.83 34.84 1c04 s LYS 59 CO 0.12 0.63 0.26 0.00 -0.92 0.00 0.00 175.35 175.44 1c04 s ALA 60 N -0.93 -0.64 -0.15 5.17 0.00 -0.38 -3.35 121.76 121.48 1c04 s ALA 60 Ca 0.15 0.45 -0.08 0.00 0.00 0.00 0.00 51.96 52.48 1c04 s ALA 60 Cb -0.11 -0.17 -0.04 0.00 0.00 0.00 0.00 23.12 22.80 1c04 s ALA 60 CO 0.05 -0.19 0.14 0.54 0.00 0.00 0.00 175.76 176.30 1c04 s VAL 61 N -0.64 5.47 -0.07 0.00 0.11 -0.17 -0.61 120.40 124.50 1c04 s VAL 61 Ca -0.07 0.20 -0.30 0.00 -2.93 0.00 0.00 61.98 58.88 1c04 s VAL 61 Cb -0.04 -3.43 -0.03 0.00 -1.53 0.00 0.00 36.38 31.36 1c04 s VAL 61 CO 0.02 0.55 1.13 -0.69 -3.33 0.00 0.00 175.10 172.78 1c04 s VAL 62 N -0.51 4.44 -0.16 2.04 1.01 -0.30 -1.07 120.40 125.85 1c04 s VAL 62 Ca 0.12 1.74 0.06 0.00 0.00 0.00 0.00 61.98 63.91 1c04 s VAL 62 Cb -0.12 -4.12 -0.08 0.00 0.00 0.00 0.00 36.38 32.07 1c04 s VAL 62 CO 0.02 0.01 0.20 1.33 0.00 0.00 0.00 175.10 176.65 1c04 n VAL 63 N 4.56 0.00 -3.75 2.92 0.24 -0.47 -1.08 118.33 120.75 1c04 n VAL 63 Ca 0.10 -0.27 -0.12 0.00 -2.04 0.00 0.00 64.34 62.01 1c04 n VAL 63 Cb 0.47 0.73 -0.11 0.00 -1.47 0.00 0.00 33.84 33.45 1c04 n VAL 63 CO 0.00 0.00 0.00 -0.13 -2.14 0.00 0.00 176.83 174.56 1c04 s ARG 64 N -1.92 0.34 0.03 7.34 0.52 -1.17 -3.54 118.95 120.54 1c04 s ARG 64 Ca 0.00 0.51 0.00 0.00 -0.52 0.00 0.00 55.73 55.73 1c04 s ARG 64 Cb 0.04 0.08 -0.02 0.00 0.52 0.00 0.00 34.95 35.57 1c04 s ARG 64 CO 0.24 -0.09 -0.04 0.95 0.02 0.00 0.00 175.30 176.39 1c04 s THR 65 N 0.58 0.22 0.21 0.02 -4.23 -1.21 -1.08 115.64 110.15 1c04 s THR 65 Ca -0.03 -1.02 0.13 0.00 -1.18 0.00 0.00 61.69 59.58 1c04 s THR 65 Cb -0.05 -0.43 0.00 0.00 1.34 0.00 0.00 72.50 73.36 1c04 s THR 65 CO -0.03 -0.51 1.60 0.11 -0.54 0.00 0.00 174.62 175.25 1c04 h LYS 66 N 4.50 0.00 -0.47 3.99 1.57 -1.69 -1.22 116.57 123.25 1c04 h LYS 66 Ca -0.33 0.00 -0.08 0.00 -1.87 0.00 0.00 60.65 58.37 1c04 h LYS 66 Cb 1.20 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 33.50 1c04 h LYS 66 CO 0.43 0.59 -0.02 -0.09 -0.57 0.00 0.00 179.45 179.78 1c04 h ARG 67 N 0.00 0.85 0.00 3.15 2.43 -1.93 -3.40 114.38 115.48 1c04 h ARG 67 Ca -0.01 -0.28 0.01 0.00 -0.81 0.00 0.00 59.98 58.89 1c04 h ARG 67 Cb 1.12 -0.07 -0.00 0.00 -0.42 0.00 0.00 29.97 30.60 1c04 h ARG 67 CO 0.08 0.91 -0.01 0.41 -1.51 0.00 0.00 179.97 179.84 1c04 n GLY 68 N -0.34 -2.02 2.98 2.80 0.00 -1.20 -4.87 105.19 102.53 1c04 n GLY 68 Ca 0.00 -1.40 -0.11 0.00 0.00 0.00 0.00 46.02 44.51 1c04 n GLY 68 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1c04 s VAL 69 N -0.25 0.24 -0.10 1.61 -7.23 -0.07 -4.91 120.40 109.68 1c04 s VAL 69 Ca 0.00 -0.73 -0.12 0.00 -1.81 0.00 0.00 61.98 59.32 1c04 s VAL 69 Cb 0.00 -0.32 -0.05 0.00 0.56 0.00 0.00 36.38 36.57 1c04 s VAL 69 CO 0.00 -0.32 0.28 -0.60 -0.31 0.00 0.00 175.10 174.16 1c04 s ARG 70 N -1.10 3.94 0.22 4.82 3.52 -1.26 -1.62 118.95 127.47 1c04 s ARG 70 Ca -0.10 0.12 0.06 0.00 -0.13 0.00 0.00 55.73 55.69 1c04 s ARG 70 Cb -0.07 -3.30 -0.04 0.00 -1.56 0.00 0.00 34.95 29.98 1c04 s ARG 70 CO -0.00 0.52 0.18 1.03 -0.81 0.00 0.00 175.30 176.22 1c04 s ARG 71 N -0.40 2.95 0.50 5.12 0.52 0.11 -4.99 118.95 122.75 1c04 s ARG 71 Ca 0.18 -0.97 0.19 0.00 -0.52 0.00 0.00 55.73 54.61 1c04 s ARG 71 Cb -0.14 -2.61 1.23 0.00 0.52 0.00 0.00 34.95 33.95 1c04 s ARG 71 CO 0.07 0.43 2.04 -1.35 0.02 0.00 0.00 175.30 176.51 1c04 h PRO 72 N 1.81 0.14 -0.10 3.54 0.11 -1.99 -1.90 132.00 133.61 1c04 h PRO 72 Ca -0.48 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.62 1c04 h PRO 72 Cb 1.22 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 32.30 1c04 h PRO 72 CO 0.62 0.09 0.00 -0.40 -0.21 0.00 0.00 178.00 178.10 1c04 n ASP 73 N -4.45 0.58 0.00 -2.05 5.68 -1.26 -4.88 116.55 110.16 1c04 n ASP 73 Ca 0.06 -1.87 0.00 0.00 -0.50 0.00 0.00 54.79 52.48 1c04 n ASP 73 Cb 0.37 -0.06 0.00 0.00 -1.14 0.00 0.00 41.12 40.29 1c04 n ASP 73 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1c04 n GLY 74 N 0.74 1.04 3.91 6.12 0.00 -0.71 -5.05 105.19 111.23 1c04 n GLY 74 Ca 0.07 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.81 1c04 n GLY 74 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1c04 s SER 75 N -2.96 6.12 -0.03 1.61 1.04 -1.26 -4.87 113.70 113.34 1c04 s SER 75 Ca 0.00 0.88 0.01 0.00 0.48 0.00 0.00 55.95 57.32 1c04 s SER 75 Cb 0.00 -2.13 0.02 0.00 0.10 0.00 0.00 66.02 64.01 1c04 s SER 75 CO 0.00 -0.69 -0.03 -0.31 0.98 0.00 0.00 173.24 173.19 1c04 s TYR 76 N -2.80 0.59 -0.05 5.02 1.51 -1.26 0.05 117.35 120.41 1c04 s TYR 76 Ca 0.49 -0.13 0.05 0.00 -1.01 0.00 0.00 57.07 56.47 1c04 s TYR 76 Cb -0.10 -0.55 -0.01 0.00 -0.11 0.00 0.00 41.96 41.19 1c04 s TYR 76 CO 0.45 -0.15 -0.20 0.42 -1.11 0.00 0.00 175.55 174.96 1c04 s ILE 77 N 0.82 1.64 0.18 2.71 1.09 -0.64 -4.98 121.20 122.02 1c04 s ILE 77 Ca -0.10 -0.83 -0.04 0.00 -1.10 0.00 0.00 60.65 58.58 1c04 s ILE 77 Cb -0.13 -1.40 -0.03 0.00 -1.06 0.00 0.00 42.46 39.84 1c04 s ILE 77 CO -0.00 0.46 0.19 0.00 -0.10 0.00 0.00 174.94 175.49 1c04 s ARG 78 N -0.02 1.18 0.35 2.79 1.70 -1.26 -0.89 118.95 122.79 1c04 s ARG 78 Ca -0.04 -1.45 0.04 0.00 -0.47 0.00 0.00 55.73 53.82 1c04 s ARG 78 Cb -0.12 0.31 -0.06 0.00 -0.57 0.00 0.00 34.95 34.51 1c04 s ARG 78 CO 0.03 -0.40 0.05 -0.06 -1.08 0.00 0.00 175.30 173.83 1c04 s PHE 79 N -4.08 2.07 -2.01 5.89 0.40 -0.47 -5.00 117.98 114.79 1c04 s PHE 79 Ca 0.29 -0.91 0.13 0.00 -0.60 0.00 0.00 56.93 55.84 1c04 s PHE 79 Cb 0.05 -1.39 0.37 0.00 0.51 0.00 0.00 43.02 42.57 1c04 s PHE 79 CO 0.07 0.09 1.31 -0.40 0.70 0.00 0.00 175.22 176.99 1c04 n ASP 80 N -0.78 2.16 -3.59 1.36 5.75 -1.26 -3.99 116.55 116.20 1c04 n ASP 80 Ca -0.03 -1.99 -0.11 0.00 -0.01 0.00 0.00 54.79 52.65 1c04 n ASP 80 Cb 0.67 -0.27 -0.03 0.00 -1.03 0.00 0.00 41.12 40.46 1c04 n ASP 80 CO 0.00 0.00 0.00 -1.83 -0.11 0.00 0.00 177.20 175.26 1c04 s GLU 81 N -1.47 1.28 -0.32 0.11 -1.05 -1.26 -4.96 118.70 111.03 1c04 s GLU 81 Ca 0.27 -0.67 -0.10 0.00 -0.15 0.00 0.00 54.97 54.32 1c04 s GLU 81 Cb 0.14 0.54 -0.00 0.00 -0.44 0.00 0.00 34.13 34.37 1c04 s GLU 81 CO 0.19 -0.54 0.17 -0.80 0.95 0.00 0.00 175.26 175.22 1c04 s ASN 82 N -2.81 5.63 0.13 0.83 0.01 -1.26 -3.32 114.94 114.15 1c04 s ASN 82 Ca 0.04 -0.57 0.05 0.00 -0.71 0.00 0.00 52.86 51.67 1c04 s ASN 82 Cb -0.01 -2.02 -0.04 0.00 0.41 0.00 0.00 41.25 39.60 1c04 s ASN 82 CO -0.09 -0.22 -0.12 0.00 -1.51 0.00 0.00 177.10 175.17 1c04 s ALA 83 N 1.62 1.40 0.18 0.60 0.00 -0.24 -1.61 121.76 123.70 1c04 s ALA 83 Ca 0.04 -1.35 -0.02 0.00 0.00 0.00 0.00 51.96 50.63 1c04 s ALA 83 Cb -0.17 -0.00 -0.03 0.00 0.00 0.00 0.00 23.12 22.91 1c04 s ALA 83 CO 0.07 -0.01 0.14 0.00 0.00 0.00 0.00 175.76 175.96 1c04 s VAL 85 N -4.09 1.60 0.00 0.00 1.01 -0.23 -0.49 120.40 118.20 1c04 s VAL 85 Ca 0.31 -0.76 0.00 0.00 0.00 0.00 0.00 61.98 61.53 1c04 s VAL 85 Cb 0.06 -1.41 0.00 0.00 0.00 0.00 0.00 36.38 35.04 1c04 s VAL 85 CO 0.07 0.46 0.00 -0.38 0.00 0.00 0.00 175.10 175.25 1c04 n ILE 86 N 3.59 0.00 0.00 2.22 5.41 -1.26 -1.00 119.36 128.32 1c04 n ILE 86 Ca -0.21 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.54 1c04 n ILE 86 Cb 0.52 -0.40 0.00 0.00 -0.71 0.00 0.00 39.64 39.05 1c04 n ILE 86 CO 0.00 0.00 0.00 2.30 0.00 0.00 0.00 176.55 178.85 1c04 n ILE 87 N -0.05 0.00 -0.30 1.39 -5.35 -1.21 -4.45 119.36 109.39 1c04 n ILE 87 Ca 0.00 0.00 -0.30 0.00 -0.27 0.00 0.00 62.75 62.18 1c04 n ILE 87 Cb 0.00 0.00 0.28 0.00 -1.74 0.00 0.00 39.64 38.18 1c04 n ILE 87 CO 0.00 0.00 0.00 0.54 -1.76 0.00 0.00 176.55 175.33 1c04 n ARG 88 N 0.00 -4.23 0.26 6.28 1.74 0.54 -4.75 116.66 116.51 1c04 n ARG 88 Ca 0.00 -1.24 0.11 0.00 -0.77 0.00 0.00 57.85 55.95 1c04 n ARG 88 Cb 0.00 -1.97 0.70 0.00 -1.02 0.00 0.00 32.46 30.17 1c04 n ARG 88 CO 0.00 0.00 0.00 -0.44 -1.52 0.00 0.00 177.63 175.67 1c04 h ASP 89 N -3.39 0.00 -0.25 0.55 3.32 -1.92 -1.97 116.42 112.76 1c04 h ASP 89 Ca -0.46 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.59 1c04 h ASP 89 Cb 1.32 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.87 1c04 h ASP 89 CO 0.31 0.11 0.00 -0.90 -1.72 0.00 0.00 179.24 177.04 1c04 n ASP 90 N -3.90 1.77 0.00 6.45 5.75 -1.26 -4.90 116.55 120.46 1c04 n ASP 90 Ca -0.02 -2.09 0.00 0.00 -0.01 0.00 0.00 54.79 52.66 1c04 n ASP 90 Cb 0.20 -0.29 0.00 0.00 -1.03 0.00 0.00 41.12 40.00 1c04 n ASP 90 CO 0.00 0.00 0.00 0.29 -0.11 0.00 0.00 177.20 177.38 1c04 n LYS 91 N 0.26 0.00 -2.30 0.11 5.02 -0.74 -5.02 118.16 115.49 1c04 n LYS 91 Ca 0.09 0.00 -0.39 0.00 -2.02 0.00 0.00 58.31 55.99 1c04 n LYS 91 Cb 0.33 -1.88 -0.02 0.00 -0.02 0.00 0.00 35.03 33.44 1c04 n LYS 91 CO 0.00 0.00 0.00 -1.12 -0.52 0.00 0.00 177.40 175.76 1c04 s SER 92 N -3.67 6.68 0.46 4.39 0.01 -1.26 -4.71 113.70 115.61 1c04 s SER 92 Ca 0.00 2.38 -0.23 0.00 1.31 0.00 0.00 55.95 59.41 1c04 s SER 92 Cb 0.00 -2.62 -0.07 0.00 0.21 0.00 0.00 66.02 63.54 1c04 s SER 92 CO 0.00 -0.57 1.14 -2.16 0.41 0.00 0.00 173.24 172.07 1c04 s PRO 93 N -2.10 3.76 0.18 12.44 0.04 -1.26 -0.34 135.00 147.72 1c04 s PRO 93 Ca 0.54 1.71 0.09 0.00 0.04 0.00 0.00 61.00 63.38 1c04 s PRO 93 Cb -0.32 -2.36 -0.02 0.00 0.04 0.00 0.00 34.50 31.84 1c04 s PRO 93 CO 0.41 -0.54 1.39 0.00 0.04 0.00 0.00 177.00 178.30 1c04 h ARG 94 N 1.98 0.00 -7.32 4.56 3.08 -1.91 -3.45 114.38 111.33 1c04 h ARG 94 Ca -0.49 0.00 -0.46 0.00 0.07 0.00 0.00 59.98 59.09 1c04 h ARG 94 Cb 1.24 0.00 0.11 0.00 0.08 0.00 0.00 29.97 31.40 1c04 h ARG 94 CO 0.60 0.83 0.20 0.20 -1.07 0.00 0.00 179.97 180.72 1c04 s GLY 95 N -4.61 1.77 0.00 0.04 0.00 -1.21 -4.66 107.32 98.65 1c04 s GLY 95 Ca 0.01 -1.66 0.08 0.00 0.00 0.00 0.00 44.72 43.14 1c04 s GLY 95 CO 0.79 -1.01 0.54 -1.30 0.00 0.00 0.00 173.10 172.12 1c04 n THR 96 N -3.12 0.00 -4.06 0.90 -2.24 -1.26 -4.65 114.28 99.85 1c04 n THR 96 Ca 0.16 -0.42 -0.13 0.00 -2.27 0.00 0.00 64.05 61.39 1c04 n THR 96 Cb 0.60 1.09 -0.13 0.00 -2.10 0.00 0.00 70.33 69.79 1c04 n THR 96 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 1c04 s ARG 97 N -1.17 0.39 -0.05 -0.78 1.81 -1.26 -5.02 118.95 112.87 1c04 s ARG 97 Ca 0.06 -0.44 0.05 0.00 -1.72 0.00 0.00 55.73 53.68 1c04 s ARG 97 Cb 0.06 -0.23 -0.02 0.00 -0.45 0.00 0.00 34.95 34.31 1c04 s ARG 97 CO 0.20 0.05 -0.21 0.42 -0.68 0.00 0.00 175.30 175.08 1c04 s ILE 98 N -0.79 2.49 -0.07 1.52 -1.09 -1.26 -2.04 121.20 119.96 1c04 s ILE 98 Ca -0.06 -0.92 0.02 0.00 -2.23 0.00 0.00 60.65 57.46 1c04 s ILE 98 Cb -0.06 -1.94 -0.02 0.00 -1.58 0.00 0.00 42.46 38.86 1c04 s ILE 98 CO -0.00 0.58 -0.12 -0.36 -1.23 0.00 0.00 174.94 173.81 1c04 s PHE 99 N -0.43 2.79 0.00 3.97 0.08 -1.26 -4.42 117.98 118.70 1c04 s PHE 99 Ca 0.05 -0.22 0.00 0.00 0.12 0.00 0.00 56.93 56.88 1c04 s PHE 99 Cb -0.12 -1.70 0.00 0.00 -0.57 0.00 0.00 43.02 40.63 1c04 s PHE 99 CO 0.01 0.13 0.00 0.41 -0.10 0.00 0.00 175.22 175.67 1c04 n GLY 100 N 2.59 -2.16 3.77 4.36 0.00 -1.26 -4.93 105.19 107.57 1c04 n GLY 100 Ca -0.18 -1.49 -0.35 0.00 0.00 0.00 0.00 46.02 44.00 1c04 n GLY 100 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1c04 s PRO 101 N -2.63 3.33 0.13 1.61 0.04 -1.26 -4.29 135.00 131.94 1c04 s PRO 101 Ca 0.00 1.67 0.07 0.00 0.04 0.00 0.00 61.00 62.79 1c04 s PRO 101 Cb 0.00 -2.04 -0.04 0.00 0.04 0.00 0.00 34.50 32.46 1c04 s PRO 101 CO 0.00 -0.88 -0.17 0.14 0.04 0.00 0.00 177.00 176.13 1c04 s VAL 102 N -1.71 1.59 0.31 -0.36 -7.23 -0.67 -4.99 120.40 107.33 1c04 s VAL 102 Ca 0.73 -1.74 -0.28 0.00 -1.81 0.00 0.00 61.98 58.88 1c04 s VAL 102 Cb -0.26 -1.63 -0.09 0.00 0.56 0.00 0.00 36.38 34.96 1c04 s VAL 102 CO 0.29 -0.29 1.02 0.00 -0.31 0.00 0.00 175.10 175.81 1c04 s ALA 103 N -1.85 3.28 0.26 1.32 0.00 -1.23 -1.20 121.76 122.35 1c04 s ALA 103 Ca 0.10 0.72 0.37 0.00 0.00 0.00 0.00 51.96 53.15 1c04 s ALA 103 Cb -0.07 -3.26 1.76 0.00 0.00 0.00 0.00 23.12 21.55 1c04 s ALA 103 CO 0.05 -0.02 2.10 -0.09 0.00 0.00 0.00 175.76 177.79 1c04 h ARG 104 N 3.48 0.00 -0.33 0.00 2.43 -1.87 -2.63 114.38 115.47 1c04 h ARG 104 Ca -0.47 0.00 0.10 0.00 -0.81 0.00 0.00 59.98 58.80 1c04 h ARG 104 Cb 1.21 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 30.74 1c04 h ARG 104 CO 0.66 0.00 0.33 0.93 -1.51 0.00 0.00 179.97 180.38 1c04 h GLU 105 N 0.00 0.00 0.00 0.20 3.07 -1.92 0.25 114.58 116.18 1c04 h GLU 105 Ca 0.00 0.00 -0.00 0.00 -0.50 0.00 0.00 59.36 58.86 1c04 h GLU 105 Cb 0.26 0.00 -0.00 0.00 -0.84 0.00 0.00 28.75 28.17 1c04 h GLU 105 CO 0.00 0.00 -0.01 -0.07 -1.40 0.00 0.00 179.01 177.53 1c04 h LEU 106 N 0.00 0.00 -1.01 1.33 3.38 -1.70 -2.18 115.31 115.13 1c04 h LEU 106 Ca 0.16 0.00 0.04 0.00 0.09 0.00 0.00 57.88 58.16 1c04 h LEU 106 Cb 0.82 0.00 -0.06 0.00 0.09 0.00 0.00 40.66 41.51 1c04 h LEU 106 CO -0.00 0.01 0.66 -0.09 0.09 0.00 0.00 178.44 179.11 1c04 h ARG 107 N 0.00 1.24 0.00 1.13 9.65 -1.18 -2.51 114.38 122.70 1c04 h ARG 107 Ca -0.00 -0.07 -0.04 0.00 -1.10 0.00 0.00 59.98 58.76 1c04 h ARG 107 Cb 0.03 -0.28 -0.01 0.00 -1.39 0.00 0.00 29.97 28.32 1c04 h ARG 107 CO 0.00 0.82 -0.21 -0.44 2.80 0.00 0.00 179.97 182.94 1c04 h ASP 108 N 1.27 0.00 -0.56 -3.80 3.32 -1.54 -2.77 116.42 112.35 1c04 h ASP 108 Ca 0.40 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.45 1c04 h ASP 108 Cb 0.01 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.56 1c04 h ASP 108 CO -0.13 0.21 0.00 0.29 -1.72 0.00 0.00 179.24 177.89 1c04 n LYS 109 N -3.79 3.10 -2.15 3.56 4.76 -0.98 -4.96 118.16 117.71 1c04 n LYS 109 Ca -0.02 -2.34 -0.12 0.00 -2.87 0.00 0.00 58.31 52.97 1c04 n LYS 109 Cb 0.31 -1.73 -0.01 0.00 -1.84 0.00 0.00 35.03 31.77 1c04 n LYS 109 CO 0.00 0.00 0.00 -3.47 -1.37 0.00 0.00 177.40 172.56 1c04 n ASP 110 N 0.98 -3.86 -3.57 4.39 2.03 -1.04 -4.92 116.55 110.55 1c04 n ASP 110 Ca 0.21 0.02 -0.41 0.00 0.52 0.00 0.00 54.79 55.13 1c04 n ASP 110 Cb 0.71 -3.02 0.00 0.00 -0.72 0.00 0.00 41.12 38.10 1c04 n ASP 110 CO 0.00 0.00 0.00 0.49 -1.92 0.00 0.00 177.20 175.77 1c04 n PHE 111 N -3.89 2.66 -0.26 -0.67 3.72 -1.01 -4.75 117.46 113.25 1c04 n PHE 111 Ca -0.14 -2.73 -0.04 0.00 -0.05 0.00 0.00 57.45 54.49 1c04 n PHE 111 Cb 0.59 -1.61 0.11 0.00 -0.94 0.00 0.00 39.48 37.62 1c04 n PHE 111 CO 0.00 0.00 0.00 0.52 -0.05 0.00 0.00 176.76 177.23 1c04 h MET 112 N 4.57 1.12 -0.49 -1.08 2.86 -1.89 -2.47 114.93 117.55 1c04 h MET 112 Ca 0.61 -0.19 -0.07 0.00 -2.06 0.00 0.00 59.70 58.00 1c04 h MET 112 Cb 0.34 -0.19 -0.02 0.00 0.06 0.00 0.00 31.60 31.79 1c04 h MET 112 CO 1.39 0.90 0.05 -0.22 1.06 0.00 0.00 176.91 180.08 1c04 h LYS 113 N 1.10 0.84 -0.43 1.72 1.63 -1.90 -1.24 116.57 118.29 1c04 h LYS 113 Ca 0.26 -0.24 -0.02 0.00 -0.85 0.00 0.00 60.65 59.80 1c04 h LYS 113 Cb 0.18 -0.09 -0.02 0.00 -0.60 0.00 0.00 32.23 31.70 1c04 h LYS 113 CO -0.02 0.86 0.20 0.82 -3.45 0.00 0.00 179.45 177.85 1c04 h ILE 114 N 0.71 1.18 -0.99 2.00 2.04 -1.86 -0.57 117.51 120.02 1c04 h ILE 114 Ca 0.15 -0.53 0.02 0.00 1.00 0.00 0.00 64.86 65.49 1c04 h ILE 114 Cb 0.45 0.73 -0.05 0.00 -0.74 0.00 0.00 36.82 37.21 1c04 h ILE 114 CO 0.02 0.20 0.65 0.40 0.00 0.00 0.00 178.15 179.42 1c04 h ILE 115 N 0.56 1.23 -0.20 -0.67 1.08 -1.27 -0.26 117.51 117.98 1c04 h ILE 115 Ca 0.15 -0.45 -0.15 0.00 -0.39 0.00 0.00 64.86 64.02 1c04 h ILE 115 Cb 0.13 -0.20 -0.01 0.00 -3.07 0.00 0.00 36.82 33.68 1c04 h ILE 115 CO -0.02 0.24 -0.49 0.77 -0.69 0.00 0.00 178.15 177.96 1c04 h SER 116 N 1.32 0.59 1.74 1.72 4.64 -0.69 -3.20 113.55 119.66 1c04 h SER 116 Ca 0.37 -0.29 -0.05 0.00 -0.47 0.00 0.00 61.79 61.35 1c04 h SER 116 Cb -0.11 -0.17 -0.01 0.00 -0.31 0.00 0.00 62.40 61.80 1c04 h SER 116 CO -0.09 0.98 -0.22 -0.07 -0.87 0.00 0.00 176.83 176.56 1c04 h LEU 117 N 0.43 0.00 -9.79 5.97 3.38 -0.67 -3.47 115.31 111.15 1c04 h LEU 117 Ca 0.02 0.00 -0.55 0.00 0.09 0.00 0.00 57.88 57.44 1c04 h LEU 117 Cb 1.01 0.00 0.09 0.00 0.09 0.00 0.00 40.66 41.86 1c04 h LEU 117 CO 0.09 0.22 0.76 0.00 0.09 0.00 0.00 178.44 179.60 1c04 n ALA 118 N -2.16 2.10 -0.30 1.53 0.00 -0.15 -4.36 120.51 117.18 1c04 n ALA 118 Ca 0.03 0.37 0.01 0.00 0.00 0.00 0.00 53.44 53.85 1c04 n ALA 118 Cb 0.61 -2.39 0.20 0.00 0.00 0.00 0.00 19.45 17.87 1c04 n ALA 118 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.50 176.15 1c04 h PRO 119 N 3.90 1.10 -2.27 0.00 0.11 -1.77 -3.44 132.00 129.63 1c04 h PRO 119 Ca -0.47 -0.07 -0.07 0.00 0.11 0.00 0.00 66.00 65.50 1c04 h PRO 119 Cb 1.25 -0.25 -0.20 0.00 0.11 0.00 0.00 31.00 31.91 1c04 h PRO 119 CO 0.72 0.73 0.06 -2.00 -0.21 0.00 0.00 178.00 177.30 1c04 s GLU 120 N -5.96 0.91 -0.12 1.05 2.12 -1.26 -5.05 118.70 110.40 1c04 s GLU 120 Ca -0.12 0.28 0.02 0.00 0.36 0.00 0.00 54.97 55.51 1c04 s GLU 120 Cb 0.19 0.43 -0.01 0.00 0.26 0.00 0.00 34.13 35.00 1c04 s GLU 120 CO 0.80 -0.25 -0.18 0.08 -0.54 0.00 0.00 175.26 175.17 1c04 s VAL 121 N -0.93 2.57 -1.29 3.70 1.01 -1.26 -1.66 120.40 122.54 1c04 s VAL 121 Ca -0.09 -0.83 0.10 0.00 0.00 0.00 0.00 61.98 61.16 1c04 s VAL 121 Cb -0.02 -2.04 0.08 0.00 0.00 0.00 0.00 36.38 34.40 1c04 s VAL 121 CO 0.07 0.54 0.83 -0.38 0.00 0.00 0.00 175.10 176.16