#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3i1n h ILE 2 N 0.00 0.72 -3.02 2.02 5.03 0.39 -3.46 117.51 119.21 3i1n h ILE 2 Ca 0.00 -1.80 0.00 0.00 -0.12 0.00 0.00 64.86 62.94 3i1n h ILE 2 Cb 0.00 1.63 0.00 0.00 -3.03 0.00 0.00 36.82 35.42 3i1n h ILE 2 CO 0.00 0.25 -0.76 1.67 -0.68 0.00 0.00 178.15 178.62 3i1n n GLN 3 N -4.53 -3.50 -1.71 2.37 7.27 -1.26 -4.66 117.38 111.36 3i1n n GLN 3 Ca -0.20 2.67 -0.38 0.00 0.07 0.00 0.00 57.00 59.16 3i1n n GLN 3 Cb 0.49 -3.18 0.05 0.00 2.41 0.00 0.00 30.24 30.01 3i1n n GLN 3 CO 0.00 0.00 0.00 0.39 0.07 0.00 0.00 177.06 177.52 3i1n n GLU 4 N -1.74 1.34 0.00 3.69 1.02 -1.26 -4.04 120.64 119.65 3i1n n GLU 4 Ca 0.00 0.51 0.00 0.00 -0.02 0.00 0.00 57.16 57.65 3i1n n GLU 4 Cb 0.22 -2.48 0.00 0.00 -0.02 0.00 0.00 31.44 29.16 3i1n n GLU 4 CO 0.00 0.00 0.00 1.04 1.18 0.00 0.00 177.13 179.35 3i1n n GLN 5 N -1.30 0.00 -1.42 3.49 1.13 -0.09 -5.01 117.38 114.17 3i1n n GLN 5 Ca 0.13 0.00 0.00 0.00 -1.94 0.00 0.00 57.00 55.19 3i1n n GLN 5 Cb 0.46 0.00 0.00 0.00 0.11 0.00 0.00 30.24 30.81 3i1n n GLN 5 CO 0.00 0.00 0.00 2.41 -1.44 0.00 0.00 177.06 178.03 3i1n n THR 6 N 0.00 -7.65 -3.19 5.09 -1.04 -1.26 -3.18 114.28 103.06 3i1n n THR 6 Ca 0.00 1.63 -0.27 0.00 -2.04 0.00 0.00 64.05 63.37 3i1n n THR 6 Cb 0.00 -4.05 -0.02 0.00 -1.82 0.00 0.00 70.33 64.44 3i1n n THR 6 CO 0.00 0.00 0.00 -0.04 -0.64 0.00 0.00 175.07 174.39 3i1n s MET 7 N -1.64 3.57 0.03 -2.82 -1.94 -1.26 -1.56 119.30 113.67 3i1n s MET 7 Ca 0.00 -0.06 -0.20 0.00 -1.71 0.00 0.00 55.69 53.72 3i1n s MET 7 Cb 0.00 -2.59 0.04 0.00 2.01 0.00 0.00 34.83 34.30 3i1n s MET 7 CO 0.00 0.09 0.46 -0.48 -0.01 0.00 0.00 175.02 175.08 3i1n s LEU 8 N -4.08 0.21 0.00 -0.03 2.34 -0.58 -4.92 118.68 111.62 3i1n s LEU 8 Ca 0.43 0.11 -0.06 0.00 0.06 0.00 0.00 54.13 54.68 3i1n s LEU 8 Cb -0.10 1.88 0.09 0.00 -0.56 0.00 0.00 46.19 47.50 3i1n s LEU 8 CO 0.35 -0.66 0.53 0.59 -1.06 0.00 0.00 176.35 176.10 3i1n n ASN 9 N 0.56 0.13 -4.03 1.48 3.02 -0.77 -2.64 115.26 113.01 3i1n n ASN 9 Ca -0.19 -1.25 -0.22 0.00 -0.03 0.00 0.00 54.58 52.90 3i1n n ASN 9 Cb 0.59 -0.40 -0.16 0.00 -0.61 0.00 0.00 39.78 39.21 3i1n n ASN 9 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 3i1n s VAL 10 N -2.02 0.92 -0.39 2.41 1.01 -1.26 -1.69 120.40 119.38 3i1n s VAL 10 Ca 0.31 -0.44 0.06 0.00 0.00 0.00 0.00 61.98 61.91 3i1n s VAL 10 Cb -0.01 -0.81 0.56 0.00 0.00 0.00 0.00 36.38 36.11 3i1n s VAL 10 CO 0.21 0.28 1.67 0.00 0.00 0.00 0.00 175.10 177.26 3i1n n ALA 11 N 3.27 5.04 -2.58 5.51 0.00 0.15 -4.87 120.51 127.02 3i1n n ALA 11 Ca -0.18 -3.14 -0.10 0.00 0.00 0.00 0.00 53.44 50.01 3i1n n ALA 11 Cb 0.54 -1.07 -0.08 0.00 0.00 0.00 0.00 19.45 18.84 3i1n n ALA 11 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 177.50 177.66 3i1n s ASP 12 N -2.10 0.08 0.00 0.00 1.47 -1.26 -0.65 116.67 114.20 3i1n s ASP 12 Ca 0.51 -1.12 0.00 0.00 1.18 0.00 0.00 52.55 53.12 3i1n s ASP 12 Cb 0.44 0.44 0.00 0.00 -0.34 0.00 0.00 42.92 43.46 3i1n s ASP 12 CO 0.04 -0.92 0.00 -0.46 0.68 0.00 0.00 175.17 174.50 3i1n n ASN 13 N -0.27 0.00 0.00 2.11 0.23 -1.22 -4.70 115.26 111.41 3i1n n ASN 13 Ca -0.02 0.00 0.00 0.00 -0.53 0.00 0.00 54.58 54.03 3i1n n ASN 13 Cb 0.64 0.00 0.00 0.00 -2.08 0.00 0.00 39.78 38.34 3i1n n ASN 13 CO 0.00 0.00 0.00 -1.54 -0.93 0.00 0.00 177.26 174.79 3i1n n SER 14 N 0.00 0.00 0.00 0.53 3.41 -1.26 -3.38 113.62 112.92 3i1n n SER 14 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.61 3i1n n SER 14 Cb 0.00 -1.82 0.00 0.00 -0.26 0.00 0.00 64.21 62.13 3i1n n SER 14 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3i1n n GLY 15 N -2.00 2.52 4.77 5.00 0.00 -1.26 -3.00 105.19 111.22 3i1n n GLY 15 Ca 0.00 -0.07 0.00 0.00 0.00 0.00 0.00 46.02 45.95 3i1n n GLY 15 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3i1n n ALA 16 N 0.00 0.00 0.00 4.61 0.00 -1.22 -1.17 120.51 122.73 3i1n n ALA 16 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 3i1n n ALA 16 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 3i1n n ALA 16 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 3i1n n ARG 17 N 9.54 0.00 -4.26 0.00 5.12 -1.26 -0.95 116.66 124.86 3i1n n ARG 17 Ca 0.00 0.00 -0.21 0.00 -1.93 0.00 0.00 57.85 55.71 3i1n n ARG 17 Cb 0.00 0.00 -0.16 0.00 -1.16 0.00 0.00 32.46 31.14 3i1n n ARG 17 CO 0.00 0.00 0.00 1.03 -1.93 0.00 0.00 177.63 176.73 3i1n s ARG 18 N 0.00 1.04 -0.04 5.56 1.81 -1.26 -4.05 118.95 122.02 3i1n s ARG 18 Ca 0.00 -0.18 -0.03 0.00 -1.72 0.00 0.00 55.73 53.80 3i1n s ARG 18 Cb 0.00 -0.98 0.01 0.00 -0.45 0.00 0.00 34.95 33.53 3i1n s ARG 18 CO 0.00 -0.06 0.09 0.54 -0.68 0.00 0.00 175.30 175.19 3i1n s VAL 19 N 0.86 -0.01 -0.00 3.52 0.11 -1.08 0.25 120.40 124.05 3i1n s VAL 19 Ca -0.12 0.02 0.02 0.00 -2.93 0.00 0.00 61.98 58.98 3i1n s VAL 19 Cb -0.15 -0.14 -0.03 0.00 -1.53 0.00 0.00 36.38 34.53 3i1n s VAL 19 CO 0.01 0.01 -0.04 -0.32 -3.33 0.00 0.00 175.10 171.43 3i1n s MET 20 N 0.17 2.65 0.01 1.54 1.75 -0.61 -1.52 119.30 123.28 3i1n s MET 20 Ca -0.01 -0.67 -0.30 0.00 -1.25 0.00 0.00 55.69 53.46 3i1n s MET 20 Cb -0.02 -2.57 -0.04 0.00 2.84 0.00 0.00 34.83 35.04 3i1n s MET 20 CO -0.00 0.61 1.17 0.00 -0.65 0.00 0.00 175.02 176.15 3i1n n ILE 22 N 4.20 0.00 -3.64 0.00 -5.35 -0.40 -0.91 119.36 113.25 3i1n n ILE 22 Ca 0.09 -0.31 -0.08 0.00 -0.27 0.00 0.00 62.75 62.18 3i1n n ILE 22 Cb 0.47 0.85 -0.07 0.00 -1.74 0.00 0.00 39.64 39.15 3i1n n ILE 22 CO 0.00 0.00 0.00 -0.75 -1.76 0.00 0.00 176.55 174.04 3i1n s LYS 23 N -1.73 0.63 -0.47 6.28 2.20 -1.15 -4.83 119.74 120.66 3i1n s LYS 23 Ca 0.01 0.90 -0.19 0.00 -0.36 0.00 0.00 55.97 56.33 3i1n s LYS 23 Cb 0.04 0.22 0.04 0.00 -1.51 0.00 0.00 37.83 36.63 3i1n s LYS 23 CO 0.23 -0.10 0.58 0.08 -0.36 0.00 0.00 175.35 175.78 3i1n s VAL 24 N 0.91 4.93 0.55 4.02 1.01 -1.26 -0.66 120.40 129.90 3i1n s VAL 24 Ca -0.04 -0.38 -0.12 0.00 0.00 0.00 0.00 61.98 61.44 3i1n s VAL 24 Cb -0.05 -4.22 -0.05 0.00 0.00 0.00 0.00 36.38 32.06 3i1n s VAL 24 CO -0.10 -0.68 0.96 -0.76 0.00 0.00 0.00 175.10 174.52 3i1n s LEU 25 N 2.52 3.46 0.00 3.92 1.43 -1.19 -4.63 118.68 124.18 3i1n s LEU 25 Ca 0.15 1.37 0.00 0.00 -1.03 0.00 0.00 54.13 54.62 3i1n s LEU 25 Cb -0.18 -4.36 0.00 0.00 0.03 0.00 0.00 46.19 41.68 3i1n s LEU 25 CO 0.13 -0.70 0.00 0.61 0.23 0.00 0.00 176.35 176.62 3i1n n GLY 26 N -2.20 1.57 0.00 -3.19 0.00 -1.26 -4.78 105.19 95.32 3i1n n GLY 26 Ca 0.05 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.07 3i1n n GLY 26 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3i1n n GLY 27 N 0.00 1.46 3.59 -0.02 0.00 -1.26 -5.02 105.19 103.94 3i1n n GLY 27 Ca 0.00 -0.17 -0.47 0.00 0.00 0.00 0.00 46.02 45.38 3i1n n GLY 27 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3i1n n SER 28 N 0.00 1.53 0.00 1.61 3.41 -1.26 -1.03 113.62 117.88 3i1n n SER 28 Ca 0.00 1.15 0.00 0.00 -0.26 0.00 0.00 58.87 59.76 3i1n n SER 28 Cb 0.00 -1.26 0.00 0.00 -0.26 0.00 0.00 64.21 62.69 3i1n n SER 28 CO 0.00 0.00 0.00 1.41 -0.16 0.00 0.00 175.04 176.29 3i1n n HIS 29 N 1.28 0.00 -1.78 7.33 8.25 -1.26 -4.92 115.22 124.13 3i1n n HIS 29 Ca 0.13 0.00 -0.42 0.00 -0.26 0.00 0.00 57.72 57.18 3i1n n HIS 29 Cb 0.27 -1.50 -0.03 0.00 1.12 0.00 0.00 29.99 29.86 3i1n n HIS 29 CO 0.00 0.00 0.00 0.50 0.64 0.00 0.00 176.34 177.48 3i1n s ARG 30 N -1.25 4.14 -0.12 -0.41 3.52 -0.20 -4.97 118.95 119.66 3i1n s ARG 30 Ca 0.00 2.56 -0.06 0.00 -0.13 0.00 0.00 55.73 58.11 3i1n s ARG 30 Cb 0.00 -3.07 -0.02 0.00 -1.56 0.00 0.00 34.95 30.30 3i1n s ARG 30 CO 0.00 -0.69 -0.11 0.00 -0.81 0.00 0.00 175.30 173.69 3i1n h ARG 31 N 6.14 0.00 -6.80 5.12 3.08 -1.90 -3.45 114.38 116.56 3i1n h ARG 31 Ca -0.44 0.00 -0.68 0.00 0.07 0.00 0.00 59.98 58.93 3i1n h ARG 31 Cb 1.21 0.00 -0.20 0.00 0.08 0.00 0.00 29.97 31.05 3i1n h ARG 31 CO 0.90 0.00 -0.84 0.71 -1.07 0.00 0.00 179.97 179.67 3i1n s TYR 32 N -1.97 2.40 0.01 3.04 2.02 -1.26 -4.19 117.35 117.40 3i1n s TYR 32 Ca -0.09 -0.33 0.05 0.00 -0.37 0.00 0.00 57.07 56.33 3i1n s TYR 32 Cb 0.01 -1.27 -0.03 0.00 -0.40 0.00 0.00 41.96 40.27 3i1n s TYR 32 CO 0.13 0.38 -0.12 0.00 -1.57 0.00 0.00 175.55 174.37 3i1n s ALA 33 N -1.17 2.83 0.00 3.71 0.00 -1.26 -4.84 121.76 121.03 3i1n s ALA 33 Ca 0.16 -1.08 0.00 0.00 0.00 0.00 0.00 51.96 51.05 3i1n s ALA 33 Cb -0.10 -0.97 0.00 0.00 0.00 0.00 0.00 23.12 22.05 3i1n s ALA 33 CO 0.08 0.59 0.00 0.41 0.00 0.00 0.00 175.76 176.84 3i1n n GLY 34 N 1.63 4.34 2.36 0.00 0.00 -1.26 0.11 105.19 112.37 3i1n n GLY 34 Ca -0.16 -0.43 0.00 0.00 0.00 0.00 0.00 46.02 45.43 3i1n n GLY 34 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 3i1n n VAL 35 N 0.00 0.00 -2.82 1.61 0.31 -1.26 -1.82 118.33 114.35 3i1n n VAL 35 Ca 0.00 0.00 -0.11 0.00 -0.01 0.00 0.00 64.34 64.22 3i1n n VAL 35 Cb 0.00 0.00 0.06 0.00 -0.91 0.00 0.00 33.84 32.99 3i1n n VAL 35 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3i1n n GLY 36 N 0.00 1.66 3.91 2.92 0.00 -1.24 -4.43 105.19 108.01 3i1n n GLY 36 Ca 0.00 -0.66 -0.28 0.00 0.00 0.00 0.00 46.02 45.09 3i1n n GLY 36 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3i1n s ASP 37 N -1.86 5.47 -0.15 1.61 1.01 -0.76 -4.67 116.67 117.32 3i1n s ASP 37 Ca 0.27 0.81 -0.09 0.00 0.71 0.00 0.00 52.55 54.24 3i1n s ASP 37 Cb 0.36 -1.71 -0.05 0.00 1.01 0.00 0.00 42.92 42.54 3i1n s ASP 37 CO -0.05 -1.20 0.17 -0.63 0.21 0.00 0.00 175.17 173.67 3i1n s ILE 38 N -3.12 5.41 0.13 0.77 -1.09 -1.26 -1.48 121.20 120.56 3i1n s ILE 38 Ca 0.56 0.29 0.06 0.00 -2.23 0.00 0.00 60.65 59.32 3i1n s ILE 38 Cb -0.11 -3.48 -0.04 0.00 -1.58 0.00 0.00 42.46 37.26 3i1n s ILE 38 CO 0.47 0.52 -0.14 -0.51 -1.23 0.00 0.00 174.94 174.05 3i1n s ILE 39 N -0.31 1.34 -0.07 2.92 2.07 0.41 -3.18 121.20 124.38 3i1n s ILE 39 Ca 0.13 -1.81 -0.02 0.00 -1.41 0.00 0.00 60.65 57.54 3i1n s ILE 39 Cb -0.12 -1.62 -0.04 0.00 0.13 0.00 0.00 42.46 40.82 3i1n s ILE 39 CO 0.02 -0.48 0.06 -0.75 -1.91 0.00 0.00 174.94 171.88 3i1n s LYS 40 N -2.90 3.10 0.07 3.50 2.47 0.17 -1.13 119.74 125.02 3i1n s LYS 40 Ca 0.11 -0.38 0.01 0.00 -1.56 0.00 0.00 55.97 54.15 3i1n s LYS 40 Cb -0.04 -2.90 -0.04 0.00 -1.46 0.00 0.00 37.83 33.40 3i1n s LYS 40 CO 0.03 0.70 -0.06 -1.50 0.16 0.00 0.00 175.35 174.68 3i1n s ILE 41 N -1.02 0.49 -0.07 5.43 1.10 0.20 -1.28 121.20 126.06 3i1n s ILE 41 Ca 0.17 -1.61 0.03 0.00 -0.51 0.00 0.00 60.65 58.73 3i1n s ILE 41 Cb -0.12 -1.26 0.01 0.00 0.15 0.00 0.00 42.46 41.25 3i1n s ILE 41 CO 0.06 -0.75 -0.14 0.28 -2.11 0.00 0.00 174.94 172.29 3i1n s THR 42 N -2.96 1.23 0.07 4.00 -1.32 -0.19 -1.58 115.64 114.90 3i1n s THR 42 Ca 0.03 -0.54 -0.31 0.00 -1.21 0.00 0.00 61.69 59.66 3i1n s THR 42 Cb 0.01 -1.11 -0.07 0.00 -1.51 0.00 0.00 72.50 69.82 3i1n s THR 42 CO -0.04 0.38 1.41 -0.63 -2.21 0.00 0.00 174.62 173.52 3i1n s ILE 43 N 0.59 3.43 -0.09 5.08 -1.09 -0.21 -1.57 121.20 127.34 3i1n s ILE 43 Ca -0.14 0.96 0.12 0.00 -2.23 0.00 0.00 60.65 59.36 3i1n s ILE 43 Cb -0.16 -3.62 -0.18 0.00 -1.58 0.00 0.00 42.46 36.93 3i1n s ILE 43 CO 0.04 0.05 0.13 0.29 -1.23 0.00 0.00 174.94 174.22 3i1n n LYS 44 N 4.52 1.40 0.00 2.79 4.76 -0.32 -1.32 118.16 129.98 3i1n n LYS 44 Ca 0.12 -0.05 0.00 0.00 -2.87 0.00 0.00 58.31 55.51 3i1n n LYS 44 Cb 0.43 -1.33 0.00 0.00 -1.84 0.00 0.00 35.03 32.29 3i1n n LYS 44 CO 0.00 0.00 0.00 0.39 -1.37 0.00 0.00 177.40 176.42 3i1n n GLU 45 N -2.30 0.00 -1.44 1.97 -0.58 0.14 -4.90 120.64 113.53 3i1n n GLU 45 Ca -0.14 0.00 0.02 0.00 -0.42 0.00 0.00 57.16 56.62 3i1n n GLU 45 Cb 0.72 -0.03 -0.01 0.00 -0.57 0.00 0.00 31.44 31.55 3i1n n GLU 45 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 3i1n n ALA 46 N -1.40 -2.08 -2.55 0.62 0.00 -0.12 -4.64 120.51 110.33 3i1n n ALA 46 Ca 0.00 0.51 -0.22 0.00 0.00 0.00 0.00 53.44 53.72 3i1n n ALA 46 Cb 0.00 -1.41 -0.06 0.00 0.00 0.00 0.00 19.45 17.99 3i1n n ALA 46 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 177.50 176.00 3i1n s ILE 47 N -5.17 3.31 0.00 0.00 1.10 -0.32 -4.94 121.20 115.18 3i1n s ILE 47 Ca 0.00 -1.61 0.00 0.00 -0.51 0.00 0.00 60.65 58.53 3i1n s ILE 47 Cb 0.00 -3.05 0.00 0.00 0.15 0.00 0.00 42.46 39.56 3i1n s ILE 47 CO 0.00 -0.21 0.51 -2.65 -2.11 0.00 0.00 174.94 170.48 3i1n n PRO 48 N -1.19 0.00 0.00 3.50 -0.02 -1.26 -4.59 135.00 131.44 3i1n n PRO 48 Ca -0.03 0.26 0.00 0.00 -2.02 0.00 0.00 63.50 61.70 3i1n n PRO 48 Cb 0.60 -1.01 0.00 0.00 -0.02 0.00 0.00 33.50 33.07 3i1n n PRO 48 CO 0.00 0.00 0.00 -2.13 1.98 0.00 0.00 175.50 175.35 3i1n n ARG 49 N -0.78 0.00 -1.24 -0.52 0.00 -1.26 -4.99 116.66 107.87 3i1n n ARG 49 Ca 0.00 0.00 0.16 0.00 -0.00 0.00 0.00 57.85 58.01 3i1n n ARG 49 Cb 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 32.46 32.39 3i1n n ARG 49 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 3i1n n GLY 50 N 0.01 -2.83 0.07 5.14 0.00 -1.26 -4.71 105.19 101.61 3i1n n GLY 50 Ca 0.00 -1.13 -0.13 0.00 0.00 0.00 0.00 46.02 44.75 3i1n n GLY 50 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 3i1n h LYS 51 N -1.21 -0.01 -6.36 1.61 3.11 -1.93 -3.47 116.57 108.32 3i1n h LYS 51 Ca -0.11 0.00 -0.44 0.00 -2.81 0.00 0.00 60.65 57.29 3i1n h LYS 51 Cb 1.18 0.00 0.01 0.00 -1.00 0.00 0.00 32.23 32.42 3i1n h LYS 51 CO 0.05 0.76 -0.31 0.14 -2.81 0.00 0.00 179.45 177.28 3i1n s VAL 52 N -3.09 3.23 0.41 2.00 -7.23 -1.16 -5.03 120.40 109.53 3i1n s VAL 52 Ca -0.17 -1.07 0.03 0.00 -1.81 0.00 0.00 61.98 58.96 3i1n s VAL 52 Cb -0.01 -3.11 -0.03 0.00 0.56 0.00 0.00 36.38 33.80 3i1n s VAL 52 CO 0.67 -0.05 0.10 -1.59 -0.31 0.00 0.00 175.10 173.93 3i1n s LYS 53 N -4.26 1.93 0.87 4.82 -2.85 -1.26 -4.69 119.74 114.30 3i1n s LYS 53 Ca 0.51 -2.18 -0.13 0.00 -1.00 0.00 0.00 55.97 53.18 3i1n s LYS 53 Cb -0.09 -0.78 0.06 0.00 -2.06 0.00 0.00 37.83 34.97 3i1n s LYS 53 CO 0.31 -0.42 0.82 1.63 0.10 0.00 0.00 175.35 177.79 3i1n n LYS 54 N -0.93 -0.11 -0.30 1.78 5.02 -1.26 -2.90 118.16 119.46 3i1n n LYS 54 Ca -0.07 0.03 0.00 0.00 -2.02 0.00 0.00 58.31 56.25 3i1n n LYS 54 Cb 0.65 -2.13 0.00 0.00 -0.02 0.00 0.00 35.03 33.53 3i1n n LYS 54 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3i1n n GLY 55 N 0.98 0.97 3.75 0.72 0.00 -0.44 -4.90 105.19 106.26 3i1n n GLY 55 Ca 0.10 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.75 3i1n n GLY 55 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3i1n s ASP 56 N -2.71 5.07 -0.20 1.61 -0.00 -1.14 -4.66 116.67 114.64 3i1n s ASP 56 Ca 0.00 2.55 0.01 0.00 -0.00 0.00 0.00 52.55 55.11 3i1n s ASP 56 Cb 0.00 -2.61 0.04 0.00 -0.00 0.00 0.00 42.92 40.35 3i1n s ASP 56 CO 0.00 -1.68 -0.10 -0.69 -0.00 0.00 0.00 175.17 172.70 3i1n s VAL 57 N -1.45 1.60 0.00 -1.27 1.01 -1.26 -1.04 120.40 117.98 3i1n s VAL 57 Ca 0.77 -0.99 0.00 0.00 0.00 0.00 0.00 61.98 61.76 3i1n s VAL 57 Cb -0.35 -1.69 0.00 0.00 0.00 0.00 0.00 36.38 34.34 3i1n s VAL 57 CO 0.39 0.16 0.00 0.00 0.00 0.00 0.00 175.10 175.64 3i1n n LEU 58 N 4.70 0.00 -4.63 3.92 -0.00 -0.62 -4.93 117.00 115.44 3i1n n LEU 58 Ca -0.14 0.00 -0.28 0.00 -0.00 0.00 0.00 56.01 55.58 3i1n n LEU 58 Cb 0.46 0.00 -0.10 0.00 -0.00 0.00 0.00 43.42 43.79 3i1n n LEU 58 CO 0.20 0.00 -0.28 -0.54 -0.00 0.00 0.00 177.39 176.77 3i1n s LYS 59 N 1.96 1.98 -0.14 1.47 1.02 -1.19 0.60 119.74 125.45 3i1n s LYS 59 Ca 0.00 -2.17 -0.30 0.00 0.02 0.00 0.00 55.97 53.52 3i1n s LYS 59 Cb 0.00 -1.48 0.13 0.00 -0.52 0.00 0.00 37.83 35.96 3i1n s LYS 59 CO 0.00 -0.16 1.02 0.00 -0.92 0.00 0.00 175.35 175.28 3i1n s ALA 60 N -2.84 -1.93 -0.17 5.17 0.00 -0.28 -1.05 121.76 120.65 3i1n s ALA 60 Ca 0.27 1.50 -0.14 0.00 0.00 0.00 0.00 51.96 53.60 3i1n s ALA 60 Cb 0.07 -0.51 -0.05 0.00 0.00 0.00 0.00 23.12 22.64 3i1n s ALA 60 CO 0.14 -0.40 0.30 0.08 0.00 0.00 0.00 175.76 175.88 3i1n s VAL 61 N -1.58 5.30 0.17 0.00 1.01 -0.95 -0.44 120.40 123.91 3i1n s VAL 61 Ca 0.01 0.54 -0.31 0.00 0.00 0.00 0.00 61.98 62.22 3i1n s VAL 61 Cb -0.01 -3.63 -0.09 0.00 0.00 0.00 0.00 36.38 32.65 3i1n s VAL 61 CO -0.01 0.36 1.46 -0.69 0.00 0.00 0.00 175.10 176.22 3i1n s VAL 62 N 0.66 2.89 -0.01 2.92 1.01 -0.55 -1.50 120.40 125.82 3i1n s VAL 62 Ca 0.16 0.67 0.02 0.00 0.00 0.00 0.00 61.98 62.84 3i1n s VAL 62 Cb -0.13 -3.43 -0.03 0.00 0.00 0.00 0.00 36.38 32.78 3i1n s VAL 62 CO 0.04 0.07 0.03 0.52 0.00 0.00 0.00 175.10 175.76 3i1n n VAL 63 N 3.44 0.07 -3.83 2.92 0.31 0.74 -3.69 118.33 118.29 3i1n n VAL 63 Ca 0.11 -0.07 -0.12 0.00 -0.01 0.00 0.00 64.34 64.24 3i1n n VAL 63 Cb 0.40 -0.22 -0.13 0.00 -0.91 0.00 0.00 33.84 32.98 3i1n n VAL 63 CO 0.00 0.00 0.00 -0.13 -1.32 0.00 0.00 176.83 175.38 3i1n s ARG 64 N -2.11 0.10 0.04 5.55 0.52 -0.84 -4.29 118.95 117.93 3i1n s ARG 64 Ca -0.01 0.15 0.00 0.00 -0.52 0.00 0.00 55.73 55.36 3i1n s ARG 64 Cb 0.01 0.02 -0.03 0.00 0.52 0.00 0.00 34.95 35.47 3i1n s ARG 64 CO 0.10 -0.03 -0.05 0.95 0.02 0.00 0.00 175.30 176.29 3i1n s THR 65 N 0.19 0.32 0.10 0.02 -4.23 -1.25 -0.82 115.64 109.97 3i1n s THR 65 Ca -0.01 -1.33 0.14 0.00 -1.18 0.00 0.00 61.69 59.31 3i1n s THR 65 Cb -0.02 -0.87 0.03 0.00 1.34 0.00 0.00 72.50 72.97 3i1n s THR 65 CO -0.01 -0.66 1.56 0.50 -0.54 0.00 0.00 174.62 175.48 3i1n h LYS 66 N 3.98 0.00 0.57 3.99 1.63 -1.69 -2.46 116.57 122.58 3i1n h LYS 66 Ca -0.34 0.00 -0.03 0.00 -0.85 0.00 0.00 60.65 59.43 3i1n h LYS 66 Cb 1.18 0.00 0.01 0.00 -0.60 0.00 0.00 32.23 32.82 3i1n h LYS 66 CO 0.51 0.56 -0.27 0.87 -3.45 0.00 0.00 179.45 177.67 3i1n h LYS 67 N 0.00 -0.73 0.00 1.90 1.79 -1.94 -3.39 116.57 114.20 3i1n h LYS 67 Ca -0.01 0.05 0.00 0.00 -2.18 0.00 0.00 60.65 58.51 3i1n h LYS 67 Cb 1.21 0.17 0.00 0.00 -1.58 0.00 0.00 32.23 32.03 3i1n h LYS 67 CO 0.07 -0.49 0.00 0.41 -1.08 0.00 0.00 179.45 178.36 3i1n n GLY 68 N -0.70 0.63 0.00 3.86 0.00 -1.24 -4.77 105.19 102.97 3i1n n GLY 68 Ca -0.09 -0.85 0.00 0.00 0.00 0.00 0.00 46.02 45.08 3i1n n GLY 68 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 3i1n n VAL 69 N 0.00 0.00 0.08 1.61 0.31 -1.17 -4.41 118.33 114.75 3i1n n VAL 69 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.33 3i1n n VAL 69 Cb 0.00 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 32.93 3i1n n VAL 69 CO 0.00 0.00 0.00 0.54 -1.32 0.00 0.00 176.83 176.05 3i1n n ARG 70 N -0.59 0.00 0.00 5.55 5.12 -1.26 -2.47 116.66 123.01 3i1n n ARG 70 Ca 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 55.92 3i1n n ARG 70 Cb 0.00 -0.05 0.00 0.00 -1.16 0.00 0.00 32.46 31.25 3i1n n ARG 70 CO 0.00 0.00 0.00 0.54 -1.93 0.00 0.00 177.63 176.24 3i1n n ARG 71 N -3.11 0.00 -0.92 5.56 5.12 -1.26 -4.53 116.66 117.53 3i1n n ARG 71 Ca 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 55.92 3i1n n ARG 71 Cb 0.00 0.00 0.00 0.00 -1.16 0.00 0.00 32.46 31.30 3i1n n ARG 71 CO 0.00 0.00 0.00 -0.35 -1.93 0.00 0.00 177.63 175.35 3i1n n PRO 72 N 0.00 1.77 0.00 5.56 -0.05 -1.26 -4.94 135.00 136.08 3i1n n PRO 72 Ca 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 63.50 63.45 3i1n n PRO 72 Cb 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 33.50 33.45 3i1n n PRO 72 CO 0.00 0.00 0.00 -3.47 -0.05 0.00 0.00 175.50 171.98 3i1n n ASP 73 N -0.85 0.00 0.00 3.54 -0.08 -1.26 -3.86 116.55 114.04 3i1n n ASP 73 Ca 0.00 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.28 3i1n n ASP 73 Cb 0.00 0.00 0.00 0.00 2.34 0.00 0.00 41.12 43.46 3i1n n ASP 73 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 3i1n n GLY 74 N 0.00 1.25 3.07 0.27 0.00 -1.26 -5.12 105.19 103.39 3i1n n GLY 74 Ca 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.81 3i1n n GLY 74 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 3i1n n SER 75 N 0.00 -3.36 -3.66 1.61 7.64 -1.25 -5.00 113.62 109.61 3i1n n SER 75 Ca 0.00 -0.54 -0.07 0.00 1.01 0.00 0.00 58.87 59.27 3i1n n SER 75 Cb 0.00 -0.84 -0.08 0.00 -1.01 0.00 0.00 64.21 62.29 3i1n n SER 75 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 3i1n s VAL 76 N -2.08 -0.28 -0.24 0.44 1.01 -1.26 -4.39 120.40 113.60 3i1n s VAL 76 Ca 0.44 0.04 -0.12 0.00 0.00 0.00 0.00 61.98 62.35 3i1n s VAL 76 Cb -0.08 -0.87 -0.05 0.00 0.00 0.00 0.00 36.38 35.38 3i1n s VAL 76 CO 0.39 0.02 0.22 -0.63 0.00 0.00 0.00 175.10 175.10 3i1n s ILE 77 N 1.94 5.31 0.02 2.22 1.09 -1.03 -4.97 121.20 125.77 3i1n s ILE 77 Ca -0.08 0.31 0.06 0.00 -1.10 0.00 0.00 60.65 59.84 3i1n s ILE 77 Cb -0.08 -3.56 -0.03 0.00 -1.06 0.00 0.00 42.46 37.73 3i1n s ILE 77 CO -0.17 0.31 -0.16 -0.13 -0.10 0.00 0.00 174.94 174.68 3i1n s ARG 78 N 1.24 2.21 0.17 2.79 0.52 -1.26 -3.07 118.95 121.54 3i1n s ARG 78 Ca 0.10 -0.89 0.07 0.00 -0.52 0.00 0.00 55.73 54.49 3i1n s ARG 78 Cb -0.14 -2.25 -0.04 0.00 0.52 0.00 0.00 34.95 33.04 3i1n s ARG 78 CO 0.06 0.56 -0.00 -0.06 0.02 0.00 0.00 175.30 175.88 3i1n s PHE 79 N -0.88 2.85 -1.38 -0.53 0.40 -0.93 -5.01 117.98 112.51 3i1n s PHE 79 Ca 0.14 -0.13 0.21 0.00 -0.60 0.00 0.00 56.93 56.55 3i1n s PHE 79 Cb -0.11 -1.39 1.03 0.00 0.51 0.00 0.00 43.02 43.07 3i1n s PHE 79 CO 0.04 0.51 1.66 -0.25 0.70 0.00 0.00 175.22 177.89 3i1n n ASP 80 N -0.05 0.00 -3.44 1.36 9.92 -1.26 -4.00 116.55 119.07 3i1n n ASP 80 Ca -0.10 0.05 -0.04 0.00 -0.53 0.00 0.00 54.79 54.17 3i1n n ASP 80 Cb 0.55 -0.31 0.01 0.00 -0.64 0.00 0.00 41.12 40.72 3i1n n ASP 80 CO 0.00 0.00 0.00 -0.83 0.13 0.00 0.00 177.20 176.50 3i1n s GLY 81 N -2.62 0.03 -0.01 0.44 0.00 -1.26 -4.97 107.32 98.92 3i1n s GLY 81 Ca 0.19 -0.26 -0.03 0.00 0.00 0.00 0.00 44.72 44.62 3i1n s GLY 81 CO 0.32 0.96 0.19 -1.31 0.00 0.00 0.00 173.10 173.26 3i1n s ASN 82 N -3.16 6.38 -0.28 1.64 0.01 -1.26 -3.78 114.94 114.49 3i1n s ASN 82 Ca 0.17 0.37 -0.23 0.00 -0.71 0.00 0.00 52.86 52.46 3i1n s ASN 82 Cb -0.03 -2.01 0.09 0.00 0.41 0.00 0.00 41.25 39.71 3i1n s ASN 82 CO 0.06 0.27 0.82 0.00 -1.51 0.00 0.00 177.10 176.73 3i1n s ALA 83 N -1.31 -1.89 0.46 0.60 0.00 0.00 -1.84 121.76 117.79 3i1n s ALA 83 Ca 0.27 2.07 0.02 0.00 0.00 0.00 0.00 51.96 54.33 3i1n s ALA 83 Cb -0.13 -1.33 -0.01 0.00 0.00 0.00 0.00 23.12 21.65 3i1n s ALA 83 CO 0.18 -0.32 0.08 0.00 0.00 0.00 0.00 175.76 175.70 3i1n s VAL 85 N -3.05 0.59 0.44 0.00 1.01 -0.56 -0.68 120.40 118.15 3i1n s VAL 85 Ca 0.14 -0.23 -0.25 0.00 0.00 0.00 0.00 61.98 61.63 3i1n s VAL 85 Cb 0.01 -0.84 -0.08 0.00 0.00 0.00 0.00 36.38 35.47 3i1n s VAL 85 CO 0.09 0.11 1.38 -0.76 0.00 0.00 0.00 175.10 175.92 3i1n s LEU 86 N 1.86 4.15 0.03 3.92 1.43 -1.26 -2.24 118.68 126.56 3i1n s LEU 86 Ca 0.03 2.82 0.05 0.00 -1.03 0.00 0.00 54.13 55.99 3i1n s LEU 86 Cb -0.14 -3.93 -0.02 0.00 0.03 0.00 0.00 46.19 42.13 3i1n s LEU 86 CO -0.07 -1.06 -0.16 -0.76 0.23 0.00 0.00 176.35 174.53 3i1n s LEU 87 N -2.63 2.13 0.28 1.79 1.43 -0.22 -2.25 118.68 119.21 3i1n s LEU 87 Ca 0.60 -0.42 -0.30 0.00 -1.03 0.00 0.00 54.13 52.98 3i1n s LEU 87 Cb -0.41 -0.72 -0.13 0.00 0.03 0.00 0.00 46.19 44.95 3i1n s LEU 87 CO 0.53 0.10 1.30 -3.20 0.23 0.00 0.00 176.35 175.31 3i1n n ASN 88 N 2.09 2.49 -0.19 2.29 5.15 -0.32 -3.16 115.26 123.61 3i1n n ASN 88 Ca -0.17 1.17 -0.08 0.00 -0.60 0.00 0.00 54.58 54.90 3i1n n ASN 88 Cb 0.54 -1.42 0.02 0.00 -0.53 0.00 0.00 39.78 38.39 3i1n n ASN 88 CO 0.00 0.00 0.00 -1.13 1.40 0.00 0.00 177.26 177.53 3i1n h ASN 89 N 3.29 0.80 0.72 1.20 -0.00 -1.91 -1.65 115.58 118.03 3i1n h ASN 89 Ca -0.45 -0.21 -0.22 0.00 -0.00 0.00 0.00 56.30 55.42 3i1n h ASN 89 Cb 1.29 -0.21 -0.04 0.00 -0.00 0.00 0.00 38.32 39.37 3i1n h ASN 89 CO 0.69 0.80 -1.40 0.78 -0.00 0.00 0.00 177.43 178.29 3i1n h ASN 90 N 0.75 0.00 -0.18 1.15 2.35 -1.99 -3.39 115.58 114.27 3i1n h ASN 90 Ca 0.17 0.00 -0.15 0.00 -0.55 0.00 0.00 56.30 55.77 3i1n h ASN 90 Cb 0.30 0.00 -0.17 0.00 0.05 0.00 0.00 38.32 38.50 3i1n h ASN 90 CO -0.00 0.78 -0.68 -1.20 -1.65 0.00 0.00 177.43 174.68 3i1n n SER 91 N -3.03 2.27 0.00 5.81 7.64 -1.18 -5.08 113.62 120.05 3i1n n SER 91 Ca -0.10 -3.50 0.00 0.00 1.01 0.00 0.00 58.87 56.27 3i1n n SER 91 Cb 0.92 -0.45 0.00 0.00 -1.01 0.00 0.00 64.21 63.67 3i1n n SER 91 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 3i1n n GLU 92 N -0.77 0.00 -2.03 1.43 -0.58 -0.63 -4.76 120.64 113.30 3i1n n GLU 92 Ca 0.22 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.96 3i1n n GLU 92 Cb 0.82 0.00 0.00 0.00 -0.57 0.00 0.00 31.44 31.69 3i1n n GLU 92 CO 0.00 0.00 0.00 0.94 -0.48 0.00 0.00 177.13 177.59 3i1n n GLN 93 N 4.58 -5.46 -2.09 3.49 -0.06 -1.26 -1.45 117.38 115.14 3i1n n GLN 93 Ca 0.00 3.88 -0.42 0.00 -2.00 0.00 0.00 57.00 58.46 3i1n n GLN 93 Cb 0.00 -4.25 -0.03 0.00 -4.06 0.00 0.00 30.24 21.90 3i1n n GLN 93 CO 0.00 0.00 0.00 -1.25 -0.20 0.00 0.00 177.06 175.61 3i1n s PRO 94 N -1.16 4.28 0.15 3.69 0.04 -1.26 -1.18 135.00 139.56 3i1n s PRO 94 Ca 0.00 2.17 -0.05 0.00 0.04 0.00 0.00 61.00 63.16 3i1n s PRO 94 Cb 0.00 -3.27 -0.03 0.00 0.04 0.00 0.00 34.50 31.24 3i1n s PRO 94 CO 0.00 -0.52 1.37 0.97 0.04 0.00 0.00 177.00 178.86 3i1n h ILE 95 N 4.27 1.36 -2.16 0.56 6.09 -1.77 -3.45 117.51 122.40 3i1n h ILE 95 Ca -0.42 -2.19 -0.36 0.00 -1.37 0.00 0.00 64.86 60.53 3i1n h ILE 95 Cb 1.21 2.17 0.19 0.00 0.47 0.00 0.00 36.82 40.86 3i1n h ILE 95 CO 0.89 0.66 -0.76 0.61 -3.07 0.00 0.00 178.15 176.48 3i1n n GLY 96 N 0.70 -2.60 0.00 8.18 0.00 -1.26 -4.88 105.19 105.33 3i1n n GLY 96 Ca -0.06 -0.84 0.00 0.00 0.00 0.00 0.00 46.02 45.12 3i1n n GLY 96 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3i1n n THR 97 N -4.50 0.00 -4.17 2.61 -2.24 -1.26 -4.98 114.28 99.74 3i1n n THR 97 Ca 0.03 -0.10 -0.11 0.00 -2.27 0.00 0.00 64.05 61.60 3i1n n THR 97 Cb 0.52 1.42 -0.10 0.00 -2.10 0.00 0.00 70.33 70.07 3i1n n THR 97 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 3i1n s ARG 98 N -0.09 0.83 0.16 -0.78 1.81 -1.26 -5.04 118.95 114.58 3i1n s ARG 98 Ca 0.00 -1.32 0.09 0.00 -1.72 0.00 0.00 55.73 52.78 3i1n s ARG 98 Cb 0.00 -0.23 -0.04 0.00 -0.45 0.00 0.00 34.95 34.23 3i1n s ARG 98 CO 0.00 -0.01 -0.19 0.42 -0.68 0.00 0.00 175.30 174.84 3i1n s ILE 99 N -3.52 1.85 0.09 1.52 1.09 -1.26 -3.39 121.20 117.58 3i1n s ILE 99 Ca 0.11 -1.89 0.05 0.00 -1.10 0.00 0.00 60.65 57.82 3i1n s ILE 99 Cb 0.05 -1.84 -0.03 0.00 -1.06 0.00 0.00 42.46 39.57 3i1n s ILE 99 CO -0.04 -0.28 -0.14 -0.36 -0.10 0.00 0.00 174.94 174.02 3i1n s PHE 100 N -1.94 1.27 0.23 3.97 0.40 0.17 -4.31 117.98 117.78 3i1n s PHE 100 Ca 0.15 -0.51 0.00 0.00 -0.60 0.00 0.00 56.93 55.98 3i1n s PHE 100 Cb -0.06 -0.70 0.00 0.00 0.51 0.00 0.00 43.02 42.77 3i1n s PHE 100 CO 0.07 0.08 0.00 0.41 0.70 0.00 0.00 175.22 176.48 3i1n n GLY 101 N 0.98 -2.14 3.89 4.36 0.00 -1.26 -4.74 105.19 106.29 3i1n n GLY 101 Ca -0.19 -1.31 -0.29 0.00 0.00 0.00 0.00 46.02 44.23 3i1n n GLY 101 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3i1n s PRO 102 N -2.41 2.36 0.25 1.61 0.04 -1.26 -4.05 135.00 131.55 3i1n s PRO 102 Ca 0.00 0.27 0.03 0.00 0.04 0.00 0.00 61.00 61.34 3i1n s PRO 102 Cb 0.00 -1.98 -0.01 0.00 0.04 0.00 0.00 34.50 32.55 3i1n s PRO 102 CO 0.00 -1.35 0.28 1.33 0.04 0.00 0.00 177.00 177.30 3i1n n VAL 103 N -3.18 0.00 -4.35 -0.36 0.24 -1.14 -4.88 118.33 104.66 3i1n n VAL 103 Ca 0.08 -1.61 -0.27 0.00 -2.04 0.00 0.00 64.34 60.50 3i1n n VAL 103 Cb 0.59 0.87 -0.11 0.00 -1.47 0.00 0.00 33.84 33.73 3i1n n VAL 103 CO 0.00 0.00 0.00 0.42 -2.14 0.00 0.00 176.83 175.11 3i1n s THR 104 N -2.88 2.80 0.61 3.34 -4.23 -1.26 -4.47 115.64 109.56 3i1n s THR 104 Ca 0.26 -1.80 0.41 0.00 -1.18 0.00 0.00 61.69 59.38 3i1n s THR 104 Cb 0.01 -2.36 0.42 0.00 1.34 0.00 0.00 72.50 71.91 3i1n s THR 104 CO 0.19 -0.09 2.32 0.08 -0.54 0.00 0.00 174.62 176.58 3i1n h ARG 105 N 3.12 0.00 -0.60 3.99 -0.00 -1.96 -1.12 114.38 117.82 3i1n h ARG 105 Ca -0.47 0.00 0.16 0.00 -0.00 0.00 0.00 59.98 59.67 3i1n h ARG 105 Cb 1.20 0.00 -0.03 0.00 -0.00 0.00 0.00 29.97 31.14 3i1n h ARG 105 CO 0.51 0.00 0.42 0.93 -0.00 0.00 0.00 179.97 181.84 3i1n h GLU 106 N 0.00 0.07 0.00 0.08 3.07 -1.96 0.21 114.58 116.04 3i1n h GLU 106 Ca -0.00 -0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.86 3i1n h GLU 106 Cb 0.04 -0.01 0.00 0.00 -0.84 0.00 0.00 28.75 27.94 3i1n h GLU 106 CO 0.00 0.04 0.00 -0.11 -1.40 0.00 0.00 179.01 177.54 3i1n n LEU 107 N -4.38 0.00 -1.76 1.33 7.94 -0.42 -3.87 117.00 115.82 3i1n n LEU 107 Ca 0.11 0.46 0.00 0.00 -1.11 0.00 0.00 56.01 55.47 3i1n n LEU 107 Cb 0.63 -0.46 0.00 0.00 0.53 0.00 0.00 43.42 44.12 3i1n n LEU 107 CO 0.36 -0.29 0.02 -1.14 -1.11 0.00 0.00 177.39 175.23 3i1n n ARG 108 N -1.46 0.02 -3.09 1.96 3.00 0.06 -4.49 116.66 112.66 3i1n n ARG 108 Ca 0.03 0.00 -0.35 0.00 -0.00 0.00 0.00 57.85 57.53 3i1n n ARG 108 Cb 0.12 -1.49 -0.06 0.00 0.00 0.00 0.00 32.46 31.03 3i1n n ARG 108 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.63 176.51 3i1n s SER 109 N 1.77 6.99 0.19 6.15 0.01 -1.25 -5.00 113.70 122.56 3i1n s SER 109 Ca 0.00 1.41 -0.16 0.00 1.31 0.00 0.00 55.95 58.51 3i1n s SER 109 Cb 0.00 -2.42 0.17 0.00 0.21 0.00 0.00 66.02 63.98 3i1n s SER 109 CO 0.00 -0.04 1.64 -0.33 0.41 0.00 0.00 173.24 174.91 3i1n h GLU 110 N 3.06 -0.03 0.00 12.44 4.39 -1.98 0.32 114.58 132.78 3i1n h GLU 110 Ca -0.48 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.22 3i1n h GLU 110 Cb 1.19 0.01 0.00 0.00 -0.10 0.00 0.00 28.75 29.84 3i1n h GLU 110 CO 0.65 -0.02 0.00 0.36 -1.16 0.00 0.00 179.01 178.84 3i1n n LYS 111 N -5.39 0.63 -0.70 2.33 0.00 -1.26 -2.69 118.16 111.08 3i1n n LYS 111 Ca 0.05 0.00 0.05 0.00 -0.00 0.00 0.00 58.31 58.41 3i1n n LYS 111 Cb 0.29 -1.11 0.11 0.00 -0.00 0.00 0.00 35.03 34.33 3i1n n LYS 111 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.40 178.59 3i1n n PHE 112 N -0.61 0.00 0.13 5.58 0.99 0.11 -4.68 117.46 118.98 3i1n n PHE 112 Ca 0.03 -0.90 -0.12 0.00 -0.00 0.00 0.00 57.45 56.46 3i1n n PHE 112 Cb 0.02 -0.17 -0.08 0.00 -1.00 0.00 0.00 39.48 38.25 3i1n n PHE 112 CO 0.00 0.00 0.00 1.98 -0.00 0.00 0.00 176.76 178.74 3i1n h MET 113 N 0.63 -0.35 -0.65 -1.08 4.05 -1.46 -2.62 114.93 113.44 3i1n h MET 113 Ca -0.06 0.02 0.19 0.00 -0.28 0.00 0.00 59.70 59.57 3i1n h MET 113 Cb 1.29 0.08 -0.03 0.00 -0.80 0.00 0.00 31.60 32.15 3i1n h MET 113 CO 0.03 -0.01 0.89 -0.22 0.23 0.00 0.00 176.91 177.83 3i1n h LYS 114 N -0.81 0.00 -0.01 0.39 1.63 -1.88 1.09 116.57 116.98 3i1n h LYS 114 Ca -0.04 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.76 3i1n h LYS 114 Cb 0.51 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.14 3i1n h LYS 114 CO 0.06 0.00 -0.15 1.51 -3.45 0.00 0.00 179.45 177.42 3i1n n ILE 115 N -3.27 0.00 -0.07 2.00 3.06 -0.99 -3.04 119.36 117.04 3i1n n ILE 115 Ca 0.14 -0.14 -0.09 0.00 -2.50 0.00 0.00 62.75 60.15 3i1n n ILE 115 Cb 1.11 0.29 -0.07 0.00 0.54 0.00 0.00 39.64 41.50 3i1n n ILE 115 CO 0.00 0.00 0.00 2.30 -2.50 0.00 0.00 176.55 176.35 3i1n n ILE 116 N -0.51 0.85 -0.21 9.51 -6.64 0.37 -4.59 119.36 118.14 3i1n n ILE 116 Ca 0.15 -0.37 -0.05 0.00 -1.77 0.00 0.00 62.75 60.71 3i1n n ILE 116 Cb 0.33 -0.96 0.05 0.00 -1.44 0.00 0.00 39.64 37.61 3i1n n ILE 116 CO 0.00 0.00 0.00 0.28 -1.77 0.00 0.00 176.55 175.06 3i1n h SER 117 N 0.00 0.65 0.00 7.28 0.02 -1.42 -3.36 113.55 116.72 3i1n h SER 117 Ca -0.33 -0.01 0.00 0.00 -0.84 0.00 0.00 61.79 60.61 3i1n h SER 117 Cb 1.57 -0.15 0.00 0.00 0.14 0.00 0.00 62.40 63.95 3i1n h SER 117 CO -0.04 0.46 0.00 0.18 -1.14 0.00 0.00 176.83 176.30 3i1n n LEU 118 N -4.70 0.00 -2.23 5.07 4.32 -1.17 -4.95 117.00 113.34 3i1n n LEU 118 Ca 0.05 0.00 0.00 0.00 -0.02 0.00 0.00 56.01 56.04 3i1n n LEU 118 Cb 0.05 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 41.85 3i1n n LEU 118 CO 0.34 0.00 -0.39 0.00 -1.22 0.00 0.00 177.39 176.12 3i1n n ALA 119 N -3.00 -1.77 -0.35 -1.18 0.00 -1.26 -4.78 120.51 108.17 3i1n n ALA 119 Ca 0.00 0.39 0.13 0.00 0.00 0.00 0.00 53.44 53.95 3i1n n ALA 119 Cb 0.00 -1.27 0.31 0.00 0.00 0.00 0.00 19.45 18.49 3i1n n ALA 119 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 3i1n h PRO 120 N 4.24 0.72 -3.98 0.00 0.13 -1.81 -3.46 132.00 127.84 3i1n h PRO 120 Ca 0.00 -0.04 -0.11 0.00 -0.87 0.00 0.00 66.00 64.98 3i1n h PRO 120 Cb 0.00 -0.16 -0.15 0.00 0.13 0.00 0.00 31.00 30.82 3i1n h PRO 120 CO 0.00 0.48 -0.52 -2.00 -0.23 0.00 0.00 178.00 175.73 3i1n s GLU 121 N -5.87 0.71 0.00 0.86 2.12 -1.26 -5.06 118.70 110.20 3i1n s GLU 121 Ca -0.11 -1.03 0.00 0.00 0.36 0.00 0.00 54.97 54.19 3i1n s GLU 121 Cb 0.25 0.27 0.00 0.00 0.26 0.00 0.00 34.13 34.91 3i1n s GLU 121 CO 0.80 -0.18 0.00 0.28 -0.54 0.00 0.00 175.26 175.62