#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3i1p s ALA 2 N 0.00 3.27 0.00 0.00 0.00 -1.26 -5.05 121.76 118.73 3i1p s ALA 2 Ca 0.00 0.90 0.00 0.00 0.00 0.00 0.00 51.96 52.86 3i1p s ALA 2 Cb 0.00 -3.34 0.00 0.00 0.00 0.00 0.00 23.12 19.78 3i1p s ALA 2 CO 0.00 -0.31 0.00 1.63 0.00 0.00 0.00 175.76 177.08 3i1p n LYS 3 N 0.57 0.00 -0.48 0.00 5.02 -1.26 -4.93 118.16 117.08 3i1p n LYS 3 Ca 0.02 0.00 -0.17 0.00 -2.02 0.00 0.00 58.31 56.14 3i1p n LYS 3 Cb 0.46 0.00 -0.05 0.00 -0.02 0.00 0.00 35.03 35.42 3i1p n LYS 3 CO 0.00 0.00 0.00 -0.89 -0.52 0.00 0.00 177.40 175.99 3i1p n ILE 4 N 0.00 0.00 0.00 -0.18 5.41 -1.26 -4.90 119.36 118.43 3i1p n ILE 4 Ca 0.00 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.75 3i1p n ILE 4 Cb 0.00 -0.17 0.00 0.00 -0.71 0.00 0.00 39.64 38.76 3i1p n ILE 4 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 176.55 177.09 3i1p n ARG 5 N 2.80 2.49 0.00 0.38 5.12 -1.26 -5.06 116.66 121.13 3i1p n ARG 5 Ca 0.21 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 56.13 3i1p n ARG 5 Cb -0.00 0.00 0.00 0.00 -1.16 0.00 0.00 32.46 31.30 3i1p n ARG 5 CO 0.00 0.00 0.00 -2.13 -1.93 0.00 0.00 177.63 173.57 3i1p n ARG 6 N 0.00 0.00 -1.71 5.56 0.63 -1.26 -4.84 116.66 115.04 3i1p n ARG 6 Ca 0.00 0.00 -0.42 0.00 -0.92 0.00 0.00 57.85 56.51 3i1p n ARG 6 Cb 0.00 -0.25 -0.03 0.00 0.45 0.00 0.00 32.46 32.63 3i1p n ARG 6 CO 0.00 0.00 0.00 -0.51 -2.51 0.00 0.00 177.63 174.61 3i1p s ASP 7 N -1.00 6.46 0.00 6.15 -0.00 -1.26 -4.72 116.67 122.30 3i1p s ASP 7 Ca 0.00 2.66 0.00 0.00 -0.00 0.00 0.00 52.55 55.21 3i1p s ASP 7 Cb 0.00 -2.54 0.00 0.00 -0.00 0.00 0.00 42.92 40.38 3i1p s ASP 7 CO 0.00 -1.03 0.00 -0.67 -0.00 0.00 0.00 175.17 173.47 3i1p n ASP 8 N 7.01 0.00 -4.68 0.27 -0.08 -1.26 -5.05 116.55 112.76 3i1p n ASP 8 Ca 0.19 0.00 -0.42 0.00 -1.51 0.00 0.00 54.79 53.05 3i1p n ASP 8 Cb 0.40 0.00 -0.03 0.00 2.34 0.00 0.00 41.12 43.84 3i1p n ASP 8 CO 0.00 0.00 0.00 -1.61 0.12 0.00 0.00 177.20 175.71 3i1p s GLU 9 N 0.00 4.30 0.29 -0.67 0.41 -1.26 -4.26 118.70 117.50 3i1p s GLU 9 Ca 0.00 1.74 0.10 0.00 -0.41 0.00 0.00 54.97 56.39 3i1p s GLU 9 Cb 0.00 -3.63 -0.05 0.00 -1.78 0.00 0.00 34.13 28.67 3i1p s GLU 9 CO 0.00 -0.55 -0.01 0.14 -0.49 0.00 0.00 175.26 174.35 3i1p s VAL 10 N 2.66 3.19 -0.14 2.63 -7.23 -1.20 -1.96 120.40 118.35 3i1p s VAL 10 Ca 0.57 -1.95 0.17 0.00 -1.81 0.00 0.00 61.98 58.96 3i1p s VAL 10 Cb -0.25 -2.80 -0.07 0.00 0.56 0.00 0.00 36.38 33.82 3i1p s VAL 10 CO 0.21 -0.33 1.01 -0.29 -0.31 0.00 0.00 175.10 175.39 3i1p h ILE 11 N 1.88 0.56 -4.51 -0.62 2.10 -1.58 -2.78 117.51 112.56 3i1p h ILE 11 Ca -0.44 -1.98 0.00 0.00 1.08 0.00 0.00 64.86 63.53 3i1p h ILE 11 Cb 1.25 2.10 -0.03 0.00 -1.09 0.00 0.00 36.82 39.05 3i1p h ILE 11 CO 0.62 0.32 -0.84 0.52 -1.08 0.00 0.00 178.15 177.69 3i1p n VAL 12 N -2.96 -9.51 -3.75 2.19 0.31 -1.25 -3.95 118.33 99.41 3i1p n VAL 12 Ca -0.06 1.52 -0.35 0.00 -0.01 0.00 0.00 64.34 65.45 3i1p n VAL 12 Cb 0.79 -6.02 -0.10 0.00 -0.91 0.00 0.00 33.84 27.61 3i1p n VAL 12 CO 0.00 0.00 0.00 -1.48 -1.32 0.00 0.00 176.83 174.03 3i1p s LEU 13 N -0.99 5.16 0.00 7.52 0.05 -1.13 -4.46 118.68 124.83 3i1p s LEU 13 Ca -0.06 -3.23 0.00 0.00 0.05 0.00 0.00 54.13 50.89 3i1p s LEU 13 Cb 0.00 -1.82 0.00 0.00 -2.05 0.00 0.00 46.19 42.33 3i1p s LEU 13 CO 0.57 -0.27 0.00 1.07 -0.55 0.00 0.00 176.35 177.17 3i1p n THR 14 N 2.94 0.00 -3.23 5.48 5.66 -1.25 -4.46 114.28 119.43 3i1p n THR 14 Ca 0.13 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.13 3i1p n THR 14 Cb 0.36 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 69.14 3i1p n THR 14 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 3i1p n GLY 15 N -0.19 0.79 7.00 1.09 0.00 -1.26 -5.05 105.19 107.56 3i1p n GLY 15 Ca 0.00 -0.67 0.00 0.00 0.00 0.00 0.00 46.02 45.35 3i1p n GLY 15 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 3i1p n LYS 16 N 0.00 0.00 -1.71 1.61 0.00 -1.26 -2.76 118.16 114.04 3i1p n LYS 16 Ca 0.00 0.00 -0.31 0.00 0.00 0.00 0.00 58.31 58.00 3i1p n LYS 16 Cb 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 35.03 34.96 3i1p n LYS 16 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.40 177.15 3i1p n ASP 17 N 3.08 2.61 -0.02 3.14 9.92 -1.25 -4.73 116.55 129.30 3i1p n ASP 17 Ca 0.00 -2.66 -0.00 0.00 -0.53 0.00 0.00 54.79 51.60 3i1p n ASP 17 Cb 0.00 -1.53 -0.00 0.00 -0.64 0.00 0.00 41.12 38.95 3i1p n ASP 17 CO 0.00 0.00 0.00 0.50 0.13 0.00 0.00 177.20 177.83 3i1p h LYS 18 N 9.56 0.00 -1.28 -1.24 3.64 -1.82 -3.39 116.57 122.05 3i1p h LYS 18 Ca 0.24 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.62 3i1p h LYS 18 Cb 0.87 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.69 3i1p h LYS 18 CO 1.41 0.00 0.00 0.41 -2.27 0.00 0.00 179.45 179.00 3i1p n GLY 19 N 1.87 1.10 3.28 5.01 0.00 -1.26 -4.61 105.19 110.59 3i1p n GLY 19 Ca -0.01 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.75 3i1p n GLY 19 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3i1p s LYS 20 N 0.18 1.39 0.60 1.61 0.00 -1.25 -5.08 119.74 117.18 3i1p s LYS 20 Ca 0.00 -1.05 0.04 0.00 0.00 0.00 0.00 55.97 54.96 3i1p s LYS 20 Cb 0.00 -1.58 0.08 0.00 0.00 0.00 0.00 37.83 36.33 3i1p s LYS 20 CO 0.00 0.39 0.82 -0.98 0.00 0.00 0.00 175.35 175.59 3i1p s ARG 21 N -1.41 2.23 0.00 1.78 1.70 -1.26 -4.20 118.95 117.78 3i1p s ARG 21 Ca 0.08 -1.18 0.00 0.00 -0.47 0.00 0.00 55.73 54.17 3i1p s ARG 21 Cb -0.09 -2.51 0.00 0.00 -0.57 0.00 0.00 34.95 31.77 3i1p s ARG 21 CO 0.03 -0.94 0.00 0.41 -1.08 0.00 0.00 175.30 173.72 3i1p n GLY 22 N -2.41 1.21 3.53 3.88 0.00 -1.05 -4.83 105.19 105.52 3i1p n GLY 22 Ca 0.12 -0.54 -0.32 0.00 0.00 0.00 0.00 46.02 45.29 3i1p n GLY 22 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3i1p n LYS 23 N -0.18 -0.54 -3.59 1.61 4.76 -1.26 -3.22 118.16 115.74 3i1p n LYS 23 Ca 0.00 -0.11 -0.40 0.00 -2.87 0.00 0.00 58.31 54.94 3i1p n LYS 23 Cb 0.00 -2.11 -0.11 0.00 -1.84 0.00 0.00 35.03 30.97 3i1p n LYS 23 CO 0.00 0.00 0.00 0.08 -1.37 0.00 0.00 177.40 176.11 3i1p s VAL 24 N -2.50 4.93 0.05 -0.18 1.01 -1.26 -2.04 120.40 120.41 3i1p s VAL 24 Ca 0.62 -0.35 -0.11 0.00 0.00 0.00 0.00 61.98 62.14 3i1p s VAL 24 Cb -0.22 -3.54 -0.32 0.00 0.00 0.00 0.00 36.38 32.31 3i1p s VAL 24 CO 0.63 0.01 1.08 0.50 0.00 0.00 0.00 175.10 177.32 3i1p h LYS 25 N 8.43 0.45 -1.98 2.72 1.63 -1.69 -3.46 116.57 122.67 3i1p h LYS 25 Ca -0.31 -0.73 0.15 0.00 -0.85 0.00 0.00 60.65 58.91 3i1p h LYS 25 Cb 1.15 0.27 -0.17 0.00 -0.60 0.00 0.00 32.23 32.88 3i1p h LYS 25 CO 0.63 1.34 0.60 0.54 -3.45 0.00 0.00 179.45 179.11 3i1p s ASN 26 N -7.39 -0.29 0.13 4.20 2.20 -1.26 -5.12 114.94 107.40 3i1p s ASN 26 Ca -0.07 0.02 0.10 0.00 -0.94 0.00 0.00 52.86 51.97 3i1p s ASN 26 Cb 0.06 0.30 -0.04 0.00 -2.00 0.00 0.00 41.25 39.57 3i1p s ASN 26 CO 0.92 -0.48 -0.23 0.54 -2.94 0.00 0.00 177.10 174.91 3i1p s VAL 27 N -2.77 2.50 0.32 3.54 0.11 -1.26 -3.38 120.40 119.46 3i1p s VAL 27 Ca 0.06 -1.67 0.07 0.00 -2.93 0.00 0.00 61.98 57.52 3i1p s VAL 27 Cb -0.01 -2.13 -0.06 0.00 -1.53 0.00 0.00 36.38 32.65 3i1p s VAL 27 CO -0.07 0.08 -0.06 -0.76 -3.33 0.00 0.00 175.10 170.97 3i1p s LEU 28 N -2.12 2.58 -0.04 2.54 1.43 -1.15 -5.04 118.68 116.89 3i1p s LEU 28 Ca 0.16 -1.22 0.16 0.00 -1.03 0.00 0.00 54.13 52.20 3i1p s LEU 28 Cb -0.10 -0.77 0.51 0.00 0.03 0.00 0.00 46.19 45.85 3i1p s LEU 28 CO 0.08 -0.32 1.43 -1.54 0.23 0.00 0.00 176.35 176.23 3i1p n SER 29 N -0.70 3.67 -1.76 2.29 3.41 -1.26 -4.35 113.62 114.92 3i1p n SER 29 Ca -0.05 -2.17 -0.05 0.00 -0.26 0.00 0.00 58.87 56.33 3i1p n SER 29 Cb 0.64 -0.40 0.24 0.00 -0.26 0.00 0.00 64.21 64.43 3i1p n SER 29 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 3i1p n SER 30 N 0.88 4.25 0.00 4.04 7.64 -1.26 -4.83 113.62 124.35 3i1p n SER 30 Ca 0.19 -2.97 0.00 0.00 1.01 0.00 0.00 58.87 57.10 3i1p n SER 30 Cb 0.61 -0.70 0.00 0.00 -1.01 0.00 0.00 64.21 63.11 3i1p n SER 30 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3i1p n GLY 31 N -0.07 0.30 3.50 0.23 0.00 -1.26 -4.99 105.19 102.90 3i1p n GLY 31 Ca 0.33 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 46.01 3i1p n GLY 31 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3i1p s LYS 32 N -0.88 3.19 0.00 1.61 -0.14 -1.26 -1.61 119.74 120.65 3i1p s LYS 32 Ca 0.00 -0.58 0.00 0.00 -1.36 0.00 0.00 55.97 54.03 3i1p s LYS 32 Cb 0.00 -2.70 0.00 0.00 -1.68 0.00 0.00 37.83 33.45 3i1p s LYS 32 CO 0.00 0.42 0.00 1.33 -0.76 0.00 0.00 175.35 176.34 3i1p n VAL 33 N 2.97 0.00 -3.43 3.17 0.24 -1.26 -2.93 118.33 117.08 3i1p n VAL 33 Ca -0.18 0.00 0.01 0.00 -2.04 0.00 0.00 64.34 62.14 3i1p n VAL 33 Cb 0.53 -0.78 -0.04 0.00 -1.47 0.00 0.00 33.84 32.07 3i1p n VAL 33 CO 0.00 0.00 0.00 -0.63 -2.14 0.00 0.00 176.83 174.06 3i1p s ILE 34 N 2.06 -0.59 0.00 1.34 1.01 -1.22 -3.18 121.20 120.63 3i1p s ILE 34 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60.65 60.65 3i1p s ILE 34 Cb 0.00 -1.00 0.00 0.00 0.01 0.00 0.00 42.46 41.47 3i1p s ILE 34 CO 0.00 0.00 0.00 0.52 0.00 0.00 0.00 174.94 175.46 3i1p n VAL 35 N 5.07 0.00 -3.91 2.92 0.31 -1.26 -3.34 118.33 118.12 3i1p n VAL 35 Ca -0.09 0.00 -0.30 0.00 -0.01 0.00 0.00 64.34 63.93 3i1p n VAL 35 Cb 0.52 0.00 -0.15 0.00 -0.91 0.00 0.00 33.84 33.30 3i1p n VAL 35 CO 0.00 0.00 0.00 -0.70 -1.32 0.00 0.00 176.83 174.81 3i1p s GLU 36 N 4.97 1.33 -0.68 5.55 2.12 -0.87 -4.05 118.70 127.07 3i1p s GLU 36 Ca 0.00 -1.79 -0.01 0.00 0.36 0.00 0.00 54.97 53.53 3i1p s GLU 36 Cb 0.00 -2.82 0.00 0.00 0.26 0.00 0.00 34.13 31.57 3i1p s GLU 36 CO 0.00 -1.00 0.57 0.41 -0.54 0.00 0.00 175.26 174.71 3i1p n GLY 37 N 4.18 0.03 0.00 -1.50 0.00 -1.26 -4.70 105.19 101.93 3i1p n GLY 37 Ca 0.03 -0.16 0.03 0.00 0.00 0.00 0.00 46.02 45.92 3i1p n GLY 37 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 3i1p n ILE 38 N -2.98 0.02 -0.08 -0.61 -0.00 -1.26 -4.80 119.36 109.65 3i1p n ILE 38 Ca -0.12 -0.15 -0.15 0.00 -0.00 0.00 0.00 62.75 62.33 3i1p n ILE 38 Cb 0.58 0.29 -0.07 0.00 -0.00 0.00 0.00 39.64 40.44 3i1p n ILE 38 CO 0.00 0.00 0.00 0.59 -0.00 0.00 0.00 176.55 177.14 3i1p n ASN 39 N -1.75 2.04 0.00 4.38 3.02 -1.26 -3.86 115.26 117.83 3i1p n ASN 39 Ca -0.02 0.05 0.00 0.00 -0.03 0.00 0.00 54.58 54.58 3i1p n ASN 39 Cb 0.19 -0.37 0.00 0.00 -0.61 0.00 0.00 39.78 39.00 3i1p n ASN 39 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3i1p n LEU 40 N -3.34 0.00 0.00 3.41 -0.00 -1.26 -4.75 117.00 111.06 3i1p n LEU 40 Ca -0.31 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 55.70 3i1p n LEU 40 Cb 0.77 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 44.19 3i1p n LEU 40 CO 0.09 0.00 0.00 1.33 -0.00 0.00 0.00 177.39 178.81 3i1p n VAL 41 N 0.00 0.00 -3.62 1.47 0.24 -1.22 -4.95 118.33 110.25 3i1p n VAL 41 Ca 0.00 0.00 -0.13 0.00 -2.04 0.00 0.00 64.34 62.17 3i1p n VAL 41 Cb 0.00 0.00 -0.12 0.00 -1.47 0.00 0.00 33.84 32.25 3i1p n VAL 41 CO 0.00 0.00 0.00 -0.75 -2.14 0.00 0.00 176.83 173.94 3i1p s LYS 42 N 4.24 0.20 -0.24 7.34 2.20 -1.26 -4.16 119.74 128.06 3i1p s LYS 42 Ca 0.00 0.74 0.02 0.00 -0.36 0.00 0.00 55.97 56.36 3i1p s LYS 42 Cb 0.00 -0.11 0.05 0.00 -1.51 0.00 0.00 37.83 36.27 3i1p s LYS 42 CO 0.00 -0.34 -0.10 0.21 -0.36 0.00 0.00 175.35 174.76 3i1p s LYS 43 N 2.46 2.05 -0.04 4.03 2.20 -0.89 -5.01 119.74 124.54 3i1p s LYS 43 Ca 0.02 -1.11 -0.02 0.00 -0.36 0.00 0.00 55.97 54.50 3i1p s LYS 43 Cb -0.13 -2.69 -0.06 0.00 -1.51 0.00 0.00 37.83 33.45 3i1p s LYS 43 CO -0.10 -0.53 2.51 0.72 -0.36 0.00 0.00 175.35 177.59 3i1p n HIS 44 N 4.56 0.19 -1.58 4.03 8.25 -1.26 -2.32 115.22 127.08 3i1p n HIS 44 Ca -0.14 -1.26 -0.44 0.00 -0.26 0.00 0.00 57.72 55.62 3i1p n HIS 44 Cb 0.44 -0.90 -0.01 0.00 1.12 0.00 0.00 29.99 30.64 3i1p n HIS 44 CO 0.00 0.00 0.00 1.04 0.64 0.00 0.00 176.34 178.02 3i1p n GLN 45 N 1.68 1.29 -2.82 -0.41 1.13 -1.26 -4.93 117.38 112.06 3i1p n GLN 45 Ca 0.17 0.45 -0.33 0.00 -1.94 0.00 0.00 57.00 55.35 3i1p n GLN 45 Cb 0.63 -1.83 -0.07 0.00 0.11 0.00 0.00 30.24 29.09 3i1p n GLN 45 CO 0.00 0.00 0.00 0.15 -1.44 0.00 0.00 177.06 175.77 3i1p s LYS 46 N -1.59 4.20 0.00 -1.09 1.02 -1.26 -4.87 119.74 116.16 3i1p s LYS 46 Ca 0.59 1.08 0.00 0.00 0.02 0.00 0.00 55.97 57.67 3i1p s LYS 46 Cb -0.69 -2.19 0.00 0.00 -0.52 0.00 0.00 37.83 34.43 3i1p s LYS 46 CO 0.60 -0.03 0.00 -0.35 -0.92 0.00 0.00 175.35 174.64 3i1p n PRO 47 N -0.67 2.61 -3.59 -1.68 -0.04 -1.26 -5.12 135.00 125.24 3i1p n PRO 47 Ca 0.07 0.00 -0.02 0.00 -0.04 0.00 0.00 63.50 63.51 3i1p n PRO 47 Cb 0.54 0.00 -0.06 0.00 -0.04 0.00 0.00 33.50 33.94 3i1p n PRO 47 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 3i1p s VAL 48 N 0.56 -0.18 -2.00 0.52 0.11 -1.26 -5.03 120.40 113.13 3i1p s VAL 48 Ca 0.00 0.00 0.01 0.00 -2.93 0.00 0.00 61.98 59.06 3i1p s VAL 48 Cb 0.00 -1.00 0.02 0.00 -1.53 0.00 0.00 36.38 33.87 3i1p s VAL 48 CO 0.00 0.00 0.23 -2.65 -3.33 0.00 0.00 175.10 169.35 3i1p n PRO 49 N 4.18 0.17 -3.76 1.54 -0.02 -1.26 -3.36 135.00 132.49 3i1p n PRO 49 Ca -0.16 0.00 -0.35 0.00 -2.02 0.00 0.00 63.50 60.96 3i1p n PRO 49 Cb 0.56 -1.05 -0.10 0.00 -0.02 0.00 0.00 33.50 32.89 3i1p n PRO 49 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3i1p s ALA 50 N -2.00 3.53 -0.97 3.55 0.00 -1.26 -4.76 121.76 119.85 3i1p s ALA 50 Ca 0.01 -3.25 -0.05 0.00 0.00 0.00 0.00 51.96 48.66 3i1p s ALA 50 Cb 0.00 -2.58 -0.06 0.00 0.00 0.00 0.00 23.12 20.49 3i1p s ALA 50 CO 0.01 -2.08 0.85 1.28 0.00 0.00 0.00 175.76 175.82 3i1p n LEU 51 N 3.44 -5.52 0.00 0.00 4.77 -1.26 -5.04 117.00 113.39 3i1p n LEU 51 Ca 0.07 -0.63 0.00 0.00 -0.03 0.00 0.00 56.01 55.42 3i1p n LEU 51 Cb 0.37 -3.07 0.00 0.00 -2.33 0.00 0.00 43.42 38.39 3i1p n LEU 51 CO 0.34 0.02 0.00 -3.20 -1.33 0.00 0.00 177.39 173.22 3i1p n ASN 52 N -3.04 0.00 -3.45 -1.43 5.15 -1.21 -4.99 115.26 106.29 3i1p n ASN 52 Ca -0.06 0.00 -0.28 0.00 -0.60 0.00 0.00 54.58 53.64 3i1p n ASN 52 Cb 0.61 0.00 -0.07 0.00 -0.53 0.00 0.00 39.78 39.78 3i1p n ASN 52 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 3i1p n GLN 53 N 0.00 2.71 -0.01 1.20 6.02 -1.26 -4.09 117.38 121.95 3i1p n GLN 53 Ca 0.00 -4.68 -0.01 0.00 -0.01 0.00 0.00 57.00 52.31 3i1p n GLN 53 Cb 0.00 -2.28 -0.00 0.00 1.02 0.00 0.00 30.24 28.98 3i1p n GLN 53 CO 0.00 0.00 0.00 -1.00 -1.01 0.00 0.00 177.06 175.05 3i1p h PRO 54 N 4.23 0.00 -6.15 -1.09 0.13 -1.98 -3.48 132.00 123.66 3i1p h PRO 54 Ca 0.20 0.00 -0.47 0.00 -0.87 0.00 0.00 66.00 64.86 3i1p h PRO 54 Cb 0.65 0.00 -0.08 0.00 0.13 0.00 0.00 31.00 31.71 3i1p h PRO 54 CO 0.88 0.00 -0.73 0.41 -0.23 0.00 0.00 178.00 178.33 3i1p n GLY 55 N 1.82 -0.49 2.62 1.56 0.00 -1.26 -4.93 105.19 104.51 3i1p n GLY 55 Ca -0.01 0.16 -0.22 0.00 0.00 0.00 0.00 46.02 45.95 3i1p n GLY 55 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3i1p s GLY 56 N -3.16 0.38 0.52 -0.02 0.00 -1.26 -5.14 107.32 98.64 3i1p s GLY 56 Ca 0.62 -1.41 -0.20 0.00 0.00 0.00 0.00 44.72 43.74 3i1p s GLY 56 CO 0.77 2.45 0.66 0.29 0.00 0.00 0.00 173.10 177.26 3i1p n ILE 57 N 4.10 2.37 -3.10 0.90 -5.35 -1.26 -4.96 119.36 112.07 3i1p n ILE 57 Ca 0.12 -0.50 -0.29 0.00 -0.27 0.00 0.00 62.75 61.81 3i1p n ILE 57 Cb 0.42 -0.79 -0.03 0.00 -1.74 0.00 0.00 39.64 37.50 3i1p n ILE 57 CO 0.00 0.00 0.00 -0.69 -1.76 0.00 0.00 176.55 174.10 3i1p s VAL 58 N -1.57 4.92 0.00 7.28 1.01 -0.98 -4.99 120.40 126.07 3i1p s VAL 58 Ca 0.68 0.29 0.24 0.00 0.00 0.00 0.00 61.98 63.18 3i1p s VAL 58 Cb -0.49 -3.74 0.39 0.00 0.00 0.00 0.00 36.38 32.54 3i1p s VAL 58 CO 0.55 -0.44 1.15 1.21 0.00 0.00 0.00 175.10 177.57 3i1p n GLU 59 N -1.17 0.00 -2.68 2.72 0.00 -1.26 -2.10 120.64 116.15 3i1p n GLU 59 Ca 0.00 -1.91 -0.22 0.00 0.00 0.00 0.00 57.16 55.03 3i1p n GLU 59 Cb 0.54 -0.03 0.08 0.00 0.00 0.00 0.00 31.44 32.03 3i1p n GLU 59 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.13 177.28 3i1p s LYS 60 N 0.00 2.02 0.34 5.31 -0.14 -1.26 -4.38 119.74 121.63 3i1p s LYS 60 Ca 0.31 -1.11 -0.06 0.00 -1.36 0.00 0.00 55.97 53.75 3i1p s LYS 60 Cb 0.36 -2.43 0.08 0.00 -1.68 0.00 0.00 37.83 34.16 3i1p s LYS 60 CO -0.16 -1.14 0.30 -0.85 -0.76 0.00 0.00 175.35 172.74 3i1p n GLU 61 N -2.60 -1.58 0.00 1.68 0.00 -1.26 -3.42 120.64 113.46 3i1p n GLU 61 Ca 0.13 -0.48 0.00 0.00 0.00 0.00 0.00 57.16 56.81 3i1p n GLU 61 Cb 0.60 -0.45 0.00 0.00 0.00 0.00 0.00 31.44 31.60 3i1p n GLU 61 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 3i1p n ALA 62 N -3.51 0.00 -2.47 -1.84 0.00 -1.26 -4.72 120.51 106.71 3i1p n ALA 62 Ca -0.06 0.00 -0.30 0.00 0.00 0.00 0.00 53.44 53.08 3i1p n ALA 62 Cb 0.16 0.00 -0.12 0.00 0.00 0.00 0.00 19.45 19.49 3i1p n ALA 62 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3i1p s ALA 63 N -1.19 2.64 -0.46 0.00 0.00 -1.26 -4.53 121.76 116.96 3i1p s ALA 63 Ca 0.00 -1.26 0.06 0.00 0.00 0.00 0.00 51.96 50.76 3i1p s ALA 63 Cb 0.00 -0.71 0.19 0.00 0.00 0.00 0.00 23.12 22.60 3i1p s ALA 63 CO 0.00 0.58 0.56 1.51 0.00 0.00 0.00 175.76 178.41 3i1p n ILE 64 N 1.22 -0.59 -1.76 0.00 3.06 -1.19 -4.92 119.36 115.18 3i1p n ILE 64 Ca -0.16 -2.29 0.00 0.00 -2.50 0.00 0.00 62.75 57.80 3i1p n ILE 64 Cb 0.52 -0.32 0.00 0.00 0.54 0.00 0.00 39.64 40.38 3i1p n ILE 64 CO 0.00 0.00 0.00 0.00 -2.50 0.00 0.00 176.55 174.05 3i1p n GLN 65 N 2.72 -3.39 0.11 9.51 1.13 -1.26 -4.53 117.38 121.67 3i1p n GLN 65 Ca 0.23 2.45 0.12 0.00 -1.94 0.00 0.00 57.00 57.86 3i1p n GLN 65 Cb 0.53 -2.89 0.02 0.00 0.11 0.00 0.00 30.24 28.00 3i1p n GLN 65 CO 0.00 0.00 0.00 -0.24 -1.44 0.00 0.00 177.06 175.38 3i1p h VAL 66 N 2.65 0.00 0.36 5.09 3.04 -1.62 -3.38 116.25 122.39 3i1p h VAL 66 Ca 0.00 -0.99 -0.01 0.00 -1.01 0.00 0.00 66.70 64.69 3i1p h VAL 66 Cb 0.00 1.53 -0.00 0.00 -2.01 0.00 0.00 31.29 30.81 3i1p h VAL 66 CO 0.00 0.00 -0.25 -1.28 -1.01 0.00 0.00 177.57 175.03 3i1p h SER 67 N 0.00 -0.66 -0.34 3.17 0.87 -1.90 -3.12 113.55 111.58 3i1p h SER 67 Ca 0.00 0.04 -0.23 0.00 -1.23 0.00 0.00 61.79 60.37 3i1p h SER 67 Cb 0.99 0.20 -0.10 0.00 -0.44 0.00 0.00 62.40 63.06 3i1p h SER 67 CO 0.00 -0.37 0.30 0.59 -0.53 0.00 0.00 176.83 176.82 3i1p n ASN 68 N -3.89 6.15 -3.92 6.23 4.13 -1.26 -4.79 115.26 117.90 3i1p n ASN 68 Ca -0.07 -2.88 -0.23 0.00 1.68 0.00 0.00 54.58 53.08 3i1p n ASN 68 Cb 0.25 -1.08 -0.17 0.00 -1.54 0.00 0.00 39.78 37.24 3i1p n ASN 68 CO 0.00 0.00 0.00 -0.69 0.28 0.00 0.00 177.26 176.85 3i1p s VAL 69 N -1.63 0.82 0.07 2.41 1.01 -1.18 -2.82 120.40 119.09 3i1p s VAL 69 Ca 0.22 -0.24 0.10 0.00 0.00 0.00 0.00 61.98 62.06 3i1p s VAL 69 Cb 0.17 -0.82 -0.03 0.00 0.00 0.00 0.00 36.38 35.70 3i1p s VAL 69 CO -0.00 0.30 -0.25 0.00 0.00 0.00 0.00 175.10 175.15 3i1p s ALA 70 N 1.18 2.35 0.03 5.51 0.00 -1.26 -4.96 121.76 124.60 3i1p s ALA 70 Ca -0.06 -1.33 -0.27 0.00 0.00 0.00 0.00 51.96 50.30 3i1p s ALA 70 Cb -0.14 -0.48 -0.05 0.00 0.00 0.00 0.00 23.12 22.45 3i1p s ALA 70 CO -0.02 0.54 0.85 0.96 0.00 0.00 0.00 175.76 178.10 3i1p s ILE 71 N -0.91 4.77 0.44 0.00 -4.36 -1.26 -1.62 121.20 118.26 3i1p s ILE 71 Ca 0.13 1.80 -0.22 0.00 -0.26 0.00 0.00 60.65 62.10 3i1p s ILE 71 Cb -0.10 -4.20 -0.09 0.00 1.25 0.00 0.00 42.46 39.32 3i1p s ILE 71 CO 0.04 0.28 1.04 0.12 0.24 0.00 0.00 174.94 176.67 3i1p s PHE 72 N 0.37 3.13 0.00 1.37 5.99 -0.83 -4.42 117.98 123.59 3i1p s PHE 72 Ca 0.43 1.61 0.00 0.00 0.00 0.00 0.00 56.93 58.97 3i1p s PHE 72 Cb -0.21 -3.10 0.00 0.00 0.00 0.00 0.00 43.02 39.71 3i1p s PHE 72 CO 0.25 -0.74 0.00 0.27 -0.00 0.00 0.00 175.22 175.00 3i1p n ASN 73 N -0.52 3.49 0.00 6.13 0.23 -1.25 -4.86 115.26 118.48 3i1p n ASN 73 Ca 0.07 -0.00 0.00 0.00 -0.53 0.00 0.00 54.58 54.12 3i1p n ASN 73 Cb 0.51 0.71 0.00 0.00 -2.08 0.00 0.00 39.78 38.92 3i1p n ASN 73 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 3i1p n ALA 74 N -1.06 0.00 0.29 -2.53 0.00 -1.26 -4.56 120.51 111.39 3i1p n ALA 74 Ca 0.00 0.00 0.17 0.00 0.00 0.00 0.00 53.44 53.61 3i1p n ALA 74 Cb 0.00 0.00 0.96 0.00 0.00 0.00 0.00 19.45 20.41 3i1p n ALA 74 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3i1p h ALA 75 N 0.00 1.48 0.00 0.00 0.00 -1.96 -2.60 119.26 116.17 3i1p h ALA 75 Ca 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3i1p h ALA 75 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.79 3i1p h ALA 75 CO 0.00 -0.06 -0.36 0.25 0.00 0.00 0.00 179.25 179.08 3i1p n THR 76 N -3.68 0.00 -2.00 0.00 -2.24 -1.26 -5.01 114.28 100.08 3i1p n THR 76 Ca -0.02 -0.24 -0.13 0.00 -2.27 0.00 0.00 64.05 61.39 3i1p n THR 76 Cb 0.13 0.75 -0.02 0.00 -2.10 0.00 0.00 70.33 69.09 3i1p n THR 76 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3i1p n GLY 77 N 1.37 0.26 0.00 3.38 0.00 -0.98 -4.97 105.19 104.25 3i1p n GLY 77 Ca 0.00 -0.38 0.00 0.00 0.00 0.00 0.00 46.02 45.64 3i1p n GLY 77 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3i1p n LYS 78 N -2.32 0.18 -4.22 1.61 5.02 -1.26 -4.92 118.16 112.24 3i1p n LYS 78 Ca -0.14 0.00 -0.20 0.00 -2.02 0.00 0.00 58.31 55.95 3i1p n LYS 78 Cb 0.56 0.00 -0.12 0.00 -0.02 0.00 0.00 35.03 35.45 3i1p n LYS 78 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3i1p s ALA 79 N -2.00 1.31 0.00 7.82 0.00 -1.26 -3.76 121.76 123.87 3i1p s ALA 79 Ca 0.00 -1.03 0.00 0.00 0.00 0.00 0.00 51.96 50.93 3i1p s ALA 79 Cb 0.00 -0.14 0.00 0.00 0.00 0.00 0.00 23.12 22.98 3i1p s ALA 79 CO 0.00 0.22 0.00 -0.40 0.00 0.00 0.00 175.76 175.58 3i1p n ASP 80 N 1.32 0.00 -0.21 0.00 5.75 -1.26 -5.09 116.55 117.06 3i1p n ASP 80 Ca -0.20 -0.25 0.00 0.00 -0.01 0.00 0.00 54.79 54.33 3i1p n ASP 80 Cb 0.54 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.63 3i1p n ASP 80 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 3i1p n ARG 81 N 0.00 3.44 0.00 0.11 3.00 -1.26 -4.58 116.66 117.37 3i1p n ARG 81 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.85 57.84 3i1p n ARG 81 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32.46 32.46 3i1p n ARG 81 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.63 178.96 3i1p n VAL 82 N 0.00 0.00 0.00 1.55 0.24 -1.26 -4.18 118.33 114.68 3i1p n VAL 82 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.30 3i1p n VAL 82 Cb 0.00 0.00 0.00 0.00 -1.47 0.00 0.00 33.84 32.37 3i1p n VAL 82 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3i1p n GLY 83 N 0.00 3.18 3.33 7.63 0.00 -1.26 -2.38 105.19 115.69 3i1p n GLY 83 Ca 0.00 -1.48 -0.37 0.00 0.00 0.00 0.00 46.02 44.18 3i1p n GLY 83 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3i1p s PHE 84 N -0.68 3.13 -0.29 1.61 0.40 -1.25 -2.54 117.98 118.36 3i1p s PHE 84 Ca 0.00 -1.02 -0.16 0.00 -0.60 0.00 0.00 56.93 55.15 3i1p s PHE 84 Cb 0.00 -2.23 0.16 0.00 0.51 0.00 0.00 43.02 41.47 3i1p s PHE 84 CO 0.00 -0.58 1.05 0.50 0.70 0.00 0.00 175.22 176.89 3i1p s ARG 85 N 1.48 0.28 0.00 0.44 3.00 0.32 -4.98 118.95 119.48 3i1p s ARG 85 Ca 0.03 0.51 0.00 0.00 -1.00 0.00 0.00 55.73 55.27 3i1p s ARG 85 Cb -0.17 0.10 0.00 0.00 0.00 0.00 0.00 34.95 34.88 3i1p s ARG 85 CO 0.02 -0.06 0.00 0.34 0.00 0.00 0.00 175.30 175.59 3i1p n PHE 86 N 3.74 0.00 -0.61 5.12 -0.00 -1.04 -4.65 117.46 120.02 3i1p n PHE 86 Ca -0.17 0.00 0.00 0.00 -0.00 0.00 0.00 57.45 57.28 3i1p n PHE 86 Cb 0.57 0.00 0.00 0.00 -0.00 0.00 0.00 39.48 40.05 3i1p n PHE 86 CO 0.00 0.00 0.00 -0.85 -0.00 0.00 0.00 176.76 175.91 3i1p n GLU 87 N 0.00 0.00 0.00 -4.13 -0.00 -1.26 -5.10 120.64 110.15 3i1p n GLU 87 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.16 57.16 3i1p n GLU 87 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 31.44 31.44 3i1p n GLU 87 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.13 173.66 3i1p n ASP 88 N 0.00 0.00 0.00 -1.84 2.03 -1.26 -5.09 116.55 110.39 3i1p n ASP 88 Ca 0.00 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.31 3i1p n ASP 88 Cb 0.13 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.53 3i1p n ASP 88 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 3i1p n GLY 89 N 0.00 -1.83 3.34 0.27 0.00 -1.26 -4.82 105.19 100.89 3i1p n GLY 89 Ca 0.00 0.14 -0.22 0.00 0.00 0.00 0.00 46.02 45.93 3i1p n GLY 89 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3i1p n LYS 90 N -0.24 -0.50 -0.08 1.61 5.02 -1.26 -5.02 118.16 117.69 3i1p n LYS 90 Ca 0.00 -2.09 -0.07 0.00 -2.02 0.00 0.00 58.31 54.12 3i1p n LYS 90 Cb 0.00 -0.84 -0.15 0.00 -0.02 0.00 0.00 35.03 34.02 3i1p n LYS 90 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 3i1p n LYS 91 N -2.96 0.88 -0.89 1.97 5.02 -1.26 -4.37 118.16 116.55 3i1p n LYS 91 Ca 0.14 -0.03 0.11 0.00 -2.02 0.00 0.00 58.31 56.51 3i1p n LYS 91 Cb 0.50 -1.49 -0.03 0.00 -0.02 0.00 0.00 35.03 34.00 3i1p n LYS 91 CO 0.00 0.00 0.00 1.33 -0.52 0.00 0.00 177.40 178.21 3i1p n VAL 92 N -2.64 0.00 -3.96 -0.18 0.24 -1.26 -0.52 118.33 109.99 3i1p n VAL 92 Ca -0.28 0.11 -0.16 0.00 -2.04 0.00 0.00 64.34 61.98 3i1p n VAL 92 Cb 1.05 -0.38 -0.15 0.00 -1.47 0.00 0.00 33.84 32.88 3i1p n VAL 92 CO 0.00 0.00 0.00 -0.13 -2.14 0.00 0.00 176.83 174.56 3i1p s ARG 93 N -2.30 0.27 -0.73 7.34 0.52 -1.24 -2.72 118.95 120.09 3i1p s ARG 93 Ca 0.00 0.01 0.04 0.00 -0.52 0.00 0.00 55.73 55.26 3i1p s ARG 93 Cb 0.00 -0.38 0.22 0.00 0.52 0.00 0.00 34.95 35.31 3i1p s ARG 93 CO 0.00 -0.06 0.71 1.97 0.02 0.00 0.00 175.30 177.94 3i1p n PHE 94 N 3.72 3.51 -0.09 -0.53 -0.00 -1.05 -3.98 117.46 119.04 3i1p n PHE 94 Ca -0.22 -4.11 0.00 0.00 -0.00 0.00 0.00 57.45 53.12 3i1p n PHE 94 Cb 0.53 -0.71 0.00 0.00 -0.00 0.00 0.00 39.48 39.30 3i1p n PHE 94 CO 0.00 0.00 0.00 1.19 -0.00 0.00 0.00 176.76 177.95 3i1p n PHE 95 N 1.48 0.00 -0.46 2.97 3.01 -1.25 -3.86 117.46 119.35 3i1p n PHE 95 Ca 0.25 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.71 3i1p n PHE 95 Cb 0.38 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 39.85 3i1p n PHE 95 CO 0.00 0.00 0.00 1.63 1.01 0.00 0.00 176.76 179.40 3i1p n LYS 96 N 0.03 0.00 0.00 -1.08 5.02 -1.00 -1.37 118.16 119.76 3i1p n LYS 96 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.29 3i1p n LYS 96 Cb 0.00 -0.46 0.00 0.00 -0.02 0.00 0.00 35.03 34.55 3i1p n LYS 96 CO 0.00 0.00 0.00 -1.13 -0.52 0.00 0.00 177.40 175.75 3i1p n SER 97 N 1.63 0.00 0.00 4.39 3.41 -1.25 -4.87 113.62 116.92 3i1p n SER 97 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.61 3i1p n SER 97 Cb 0.12 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.07 3i1p n SER 97 CO 0.00 0.00 0.00 -0.46 -0.16 0.00 0.00 175.04 174.42 3i1p n ASN 98 N 0.00 0.00 -3.20 4.04 0.23 -0.47 -5.17 115.26 110.70 3i1p n ASN 98 Ca 0.00 0.00 0.04 0.00 -0.53 0.00 0.00 54.58 54.09 3i1p n ASN 98 Cb 0.00 0.00 -0.04 0.00 -2.08 0.00 0.00 39.78 37.66 3i1p n ASN 98 CO 0.00 0.00 0.00 -0.44 -0.93 0.00 0.00 177.26 175.89 3i1p s SER 99 N 0.19 -0.11 0.00 0.53 0.01 -1.26 -4.57 113.70 108.49 3i1p s SER 99 Ca 0.00 0.14 0.00 0.00 1.31 0.00 0.00 55.95 57.40 3i1p s SER 99 Cb 0.00 1.12 0.00 0.00 0.21 0.00 0.00 66.02 67.35 3i1p s SER 99 CO 0.00 -0.02 0.46 -0.62 0.41 0.00 0.00 173.24 173.47 3i1p n GLU 100 N 4.60 0.44 -0.36 12.44 1.02 -1.26 -5.04 120.64 132.47 3i1p n GLU 100 Ca -0.07 -0.55 -0.15 0.00 -0.02 0.00 0.00 57.16 56.37 3i1p n GLU 100 Cb 0.55 -0.66 -0.02 0.00 -0.02 0.00 0.00 31.44 31.28 3i1p n GLU 100 CO 0.00 0.00 0.00 2.41 1.18 0.00 0.00 177.13 180.72 3i1p n THR 101 N -0.10 0.00 -0.27 2.62 -1.04 -1.26 -5.11 114.28 109.13 3i1p n THR 101 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.01 3i1p n THR 101 Cb 0.31 -0.12 0.00 0.00 -1.82 0.00 0.00 70.33 68.71 3i1p n THR 101 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43