#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3e1d n ALA 2 N 0.00 2.04 -0.11 0.00 0.00 -1.26 -4.90 120.51 116.29 3e1d n ALA 2 Ca 0.00 -0.09 0.00 0.00 0.00 0.00 0.00 53.44 53.35 3e1d n ALA 2 Cb 0.00 -1.23 0.00 0.00 0.00 0.00 0.00 19.45 18.22 3e1d n ALA 2 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.50 177.86 3e1d n LYS 3 N -1.00 0.00 -3.65 0.00 2.85 -1.26 -4.90 118.16 110.20 3e1d n LYS 3 Ca 0.11 0.00 -0.37 0.00 -1.05 0.00 0.00 58.31 57.00 3e1d n LYS 3 Cb 0.05 -2.45 -0.11 0.00 -0.65 0.00 0.00 35.03 31.87 3e1d n LYS 3 CO 0.00 0.00 0.00 0.42 -0.05 0.00 0.00 177.40 177.77 3e1d s ILE 4 N -0.54 5.13 -0.28 0.58 1.01 -1.26 -0.75 121.20 125.09 3e1d s ILE 4 Ca 0.00 0.11 -0.07 0.00 0.00 0.00 0.00 60.65 60.68 3e1d s ILE 4 Cb 0.00 -3.42 -0.01 0.00 0.01 0.00 0.00 42.46 39.04 3e1d s ILE 4 CO 0.00 0.29 0.08 -0.60 0.00 0.00 0.00 174.94 174.72 3e1d s ARG 5 N 1.52 3.32 -0.88 2.79 3.00 -1.26 -4.96 118.95 122.48 3e1d s ARG 5 Ca 0.07 -0.71 -0.23 0.00 -1.00 0.00 0.00 55.73 53.86 3e1d s ARG 5 Cb -0.15 -3.37 -0.19 0.00 0.00 0.00 0.00 34.95 31.24 3e1d s ARG 5 CO 0.08 -0.35 2.13 -2.13 0.00 0.00 0.00 175.30 175.03 3e1d n ARG 6 N 4.90 0.24 -0.04 5.12 0.63 -1.26 -4.27 116.66 121.99 3e1d n ARG 6 Ca -0.15 -1.14 0.00 0.00 -0.92 0.00 0.00 57.85 55.64 3e1d n ARG 6 Cb 0.49 -3.40 0.00 0.00 0.45 0.00 0.00 32.46 30.00 3e1d n ARG 6 CO 0.00 0.00 0.00 -0.25 -2.51 0.00 0.00 177.63 174.87 3e1d n ASP 7 N 17.24 0.00 -4.46 6.15 9.92 -1.26 -4.91 116.55 139.22 3e1d n ASP 7 Ca 0.41 -1.01 -0.25 0.00 -0.53 0.00 0.00 54.79 53.41 3e1d n ASP 7 Cb 0.44 -0.00 -0.11 0.00 -0.64 0.00 0.00 41.12 40.81 3e1d n ASP 7 CO 0.00 0.00 0.00 1.51 0.13 0.00 0.00 177.20 178.84 3e1d s ASP 8 N -0.01 3.58 -0.09 -2.24 3.84 -1.26 -4.47 116.67 116.02 3e1d s ASP 8 Ca 0.00 -0.94 -0.11 0.00 -0.00 0.00 0.00 52.55 51.51 3e1d s ASP 8 Cb 0.00 -0.31 -0.05 0.00 -1.38 0.00 0.00 42.92 41.18 3e1d s ASP 8 CO 0.00 0.07 0.25 -0.70 -0.00 0.00 0.00 175.17 174.79 3e1d s GLU 9 N -3.17 3.73 0.21 2.11 2.12 -1.26 -0.89 118.70 121.56 3e1d s GLU 9 Ca 0.26 0.08 -0.08 0.00 0.36 0.00 0.00 54.97 55.60 3e1d s GLU 9 Cb -0.06 -3.24 -0.02 0.00 0.26 0.00 0.00 34.13 31.07 3e1d s GLU 9 CO 0.13 0.67 0.31 0.14 -0.54 0.00 0.00 175.26 175.97 3e1d s VAL 10 N -0.83 0.01 0.20 3.70 -7.23 -0.17 -2.13 120.40 113.96 3e1d s VAL 10 Ca 0.18 -1.62 0.00 0.00 -1.81 0.00 0.00 61.98 58.73 3e1d s VAL 10 Cb -0.14 -2.24 -0.04 0.00 0.56 0.00 0.00 36.38 34.52 3e1d s VAL 10 CO 0.07 -0.06 0.09 0.27 -0.31 0.00 0.00 175.10 175.16 3e1d s ILE 11 N -4.06 0.28 -0.00 -0.62 -4.36 -1.26 -0.60 121.20 110.58 3e1d s ILE 11 Ca 0.27 -1.98 -0.20 0.00 -0.26 0.00 0.00 60.65 58.48 3e1d s ILE 11 Cb 0.03 -2.42 -0.05 0.00 1.25 0.00 0.00 42.46 41.26 3e1d s ILE 11 CO 0.08 -0.14 0.56 -0.69 0.24 0.00 0.00 174.94 175.00 3e1d s VAL 12 N -3.95 4.92 0.00 8.37 1.01 -0.24 -4.74 120.40 125.77 3e1d s VAL 12 Ca 0.34 1.18 0.00 0.00 0.00 0.00 0.00 61.98 63.50 3e1d s VAL 12 Cb 0.07 -3.90 0.00 0.00 0.00 0.00 0.00 36.38 32.55 3e1d s VAL 12 CO 0.10 0.44 0.00 -0.11 0.00 0.00 0.00 175.10 175.53 3e1d n LEU 13 N 2.58 0.00 -1.65 3.92 7.94 -1.26 -0.51 117.00 128.03 3e1d n LEU 13 Ca -0.08 0.00 -0.10 0.00 -1.11 0.00 0.00 56.01 54.72 3e1d n LEU 13 Cb 0.51 0.00 0.04 0.00 0.53 0.00 0.00 43.42 44.50 3e1d n LEU 13 CO 0.43 0.00 1.01 0.41 -1.11 0.00 0.00 177.39 178.13 3e1d n THR 14 N -0.25 2.26 -3.59 1.96 -1.04 -1.26 -4.78 114.28 107.58 3e1d n THR 14 Ca 0.00 -1.07 0.02 0.00 -2.04 0.00 0.00 64.05 60.96 3e1d n THR 14 Cb 0.00 -1.18 -0.01 0.00 -1.82 0.00 0.00 70.33 67.32 3e1d n THR 14 CO 0.00 0.00 0.00 -0.83 -0.64 0.00 0.00 175.07 173.60 3e1d s GLY 15 N 0.54 -0.42 0.18 3.41 0.00 -1.26 -5.04 107.32 104.71 3e1d s GLY 15 Ca 0.21 1.10 0.08 0.00 0.00 0.00 0.00 44.72 46.11 3e1d s GLY 15 CO 0.01 0.26 1.14 1.17 0.00 0.00 0.00 173.10 175.68 3e1d n LYS 16 N -0.40 0.06 -0.05 2.90 4.81 -1.26 -1.94 118.16 122.28 3e1d n LYS 16 Ca -0.07 0.48 0.08 0.00 -0.87 0.00 0.00 58.31 57.93 3e1d n LYS 16 Cb 0.62 -1.87 0.37 0.00 0.02 0.00 0.00 35.03 34.16 3e1d n LYS 16 CO 0.00 0.00 0.00 -0.25 1.17 0.00 0.00 177.40 178.32 3e1d n ASP 17 N -1.76 0.86 0.00 3.14 9.92 -1.26 -4.96 116.55 122.49 3e1d n ASP 17 Ca -0.01 -1.67 0.00 0.00 -0.53 0.00 0.00 54.79 52.58 3e1d n ASP 17 Cb 0.21 -0.07 0.00 0.00 -0.64 0.00 0.00 41.12 40.62 3e1d n ASP 17 CO 0.00 0.00 0.00 0.29 0.13 0.00 0.00 177.20 177.62 3e1d n LYS 18 N -0.17 0.00 0.00 -1.24 5.02 -0.82 -1.83 118.16 119.12 3e1d n LYS 18 Ca 0.13 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.42 3e1d n LYS 18 Cb 0.18 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.19 3e1d n LYS 18 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3e1d n GLY 19 N 0.00 3.31 3.53 0.72 0.00 0.34 -4.98 105.19 108.11 3e1d n GLY 19 Ca 0.00 -1.06 -0.55 0.00 0.00 0.00 0.00 46.02 44.41 3e1d n GLY 19 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3e1d n LYS 20 N 0.00 0.95 -3.96 1.61 5.02 -0.76 -4.73 118.16 116.30 3e1d n LYS 20 Ca 0.00 0.31 -0.35 0.00 -2.02 0.00 0.00 58.31 56.24 3e1d n LYS 20 Cb 0.00 -2.17 -0.11 0.00 -0.02 0.00 0.00 35.03 32.73 3e1d n LYS 20 CO 0.00 0.00 0.00 0.50 -0.52 0.00 0.00 177.40 177.38 3e1d s ARG 21 N 5.06 3.83 0.17 1.97 3.52 -1.26 -1.08 118.95 131.16 3e1d s ARG 21 Ca 1.06 -0.41 -0.24 0.00 -0.13 0.00 0.00 55.73 56.01 3e1d s ARG 21 Cb -1.04 -3.23 0.06 0.00 -1.56 0.00 0.00 34.95 29.17 3e1d s ARG 21 CO 0.59 0.09 0.92 0.20 -0.81 0.00 0.00 175.30 176.29 3e1d s GLY 22 N 0.86 -0.21 0.33 8.12 0.00 0.23 -4.93 107.32 111.72 3e1d s GLY 22 Ca 0.03 0.07 0.08 0.00 0.00 0.00 0.00 44.72 44.90 3e1d s GLY 22 CO 0.02 -0.01 -0.06 -1.59 0.00 0.00 0.00 173.10 171.47 3e1d s LYS 23 N -3.39 1.74 0.00 2.90 -2.85 -1.26 -1.00 119.74 115.87 3e1d s LYS 23 Ca 0.12 -1.91 0.00 0.00 -1.00 0.00 0.00 55.97 53.18 3e1d s LYS 23 Cb -0.02 -1.45 0.00 0.00 -2.06 0.00 0.00 37.83 34.30 3e1d s LYS 23 CO 0.03 0.05 0.00 1.33 0.10 0.00 0.00 175.35 176.86 3e1d n VAL 24 N -0.74 0.00 -4.79 1.79 0.24 -0.07 -4.71 118.33 110.05 3e1d n VAL 24 Ca -0.05 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.25 3e1d n VAL 24 Cb 0.64 0.00 0.00 0.00 -1.47 0.00 0.00 33.84 33.01 3e1d n VAL 24 CO 0.00 0.00 0.00 0.29 -2.14 0.00 0.00 176.83 174.98 3e1d n LYS 25 N 0.00 0.00 -4.08 7.34 4.01 -1.23 -4.63 118.16 119.56 3e1d n LYS 25 Ca 0.00 0.00 -0.33 0.00 -0.51 0.00 0.00 58.31 57.47 3e1d n LYS 25 Cb 0.00 0.00 -0.15 0.00 -0.51 0.00 0.00 35.03 34.37 3e1d n LYS 25 CO 0.00 0.00 0.00 1.21 -1.11 0.00 0.00 177.40 177.50 3e1d s ASN 26 N -4.00 3.93 -0.18 4.39 3.84 -1.26 -5.03 114.94 116.63 3e1d s ASN 26 Ca 0.00 -1.08 0.01 0.00 0.21 0.00 0.00 52.86 52.00 3e1d s ASN 26 Cb 0.00 -1.53 0.02 0.00 -0.55 0.00 0.00 41.25 39.19 3e1d s ASN 26 CO 0.00 -0.11 -0.18 -0.69 -2.79 0.00 0.00 177.10 173.32 3e1d s VAL 27 N 1.19 1.99 0.29 -5.21 1.01 -1.26 -4.74 120.40 113.67 3e1d s VAL 27 Ca -0.03 -0.94 0.02 0.00 0.00 0.00 0.00 61.98 61.04 3e1d s VAL 27 Cb -0.17 -1.83 -0.04 0.00 0.00 0.00 0.00 36.38 34.34 3e1d s VAL 27 CO -0.08 0.49 0.14 -0.22 0.00 0.00 0.00 175.10 175.43 3e1d s LEU 28 N 1.31 1.63 -0.38 3.92 2.96 -1.26 -5.04 118.68 121.82 3e1d s LEU 28 Ca 0.04 -1.51 -0.41 0.00 -0.22 0.00 0.00 54.13 52.03 3e1d s LEU 28 Cb -0.13 0.17 -0.16 0.00 0.50 0.00 0.00 46.19 46.56 3e1d s LEU 28 CO -0.12 -0.85 1.89 -1.54 -1.32 0.00 0.00 176.35 174.41 3e1d n SER 29 N -0.79 1.79 -0.21 3.68 3.41 -1.26 -1.37 113.62 118.87 3e1d n SER 29 Ca 0.01 0.89 -0.03 0.00 -0.26 0.00 0.00 58.87 59.48 3e1d n SER 29 Cb 0.65 -1.07 -0.01 0.00 -0.26 0.00 0.00 64.21 63.52 3e1d n SER 29 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 3e1d n SER 30 N 6.45 -4.12 -4.59 4.04 7.64 -1.26 -5.02 113.62 116.75 3e1d n SER 30 Ca 0.36 0.07 -0.47 0.00 1.01 0.00 0.00 58.87 59.84 3e1d n SER 30 Cb 0.08 -1.86 -0.03 0.00 -1.01 0.00 0.00 64.21 61.38 3e1d n SER 30 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3e1d n GLY 31 N -1.60 0.03 0.00 0.23 0.00 -0.47 -4.92 105.19 98.46 3e1d n GLY 31 Ca -0.03 0.47 0.08 0.00 0.00 0.00 0.00 46.02 46.54 3e1d n GLY 31 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3e1d n LYS 32 N 1.49 0.99 -3.33 1.61 5.02 -1.26 -4.69 118.16 117.99 3e1d n LYS 32 Ca 0.13 0.00 -0.12 0.00 -2.02 0.00 0.00 58.31 56.30 3e1d n LYS 32 Cb 0.27 -1.24 0.00 0.00 -0.02 0.00 0.00 35.03 34.05 3e1d n LYS 32 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 3e1d n VAL 33 N -0.74 -7.50 0.69 -0.18 0.31 -1.26 -1.91 118.33 107.75 3e1d n VAL 33 Ca 0.12 -0.04 0.00 0.00 -0.01 0.00 0.00 64.34 64.41 3e1d n VAL 33 Cb 0.05 -5.37 0.00 0.00 -0.91 0.00 0.00 33.84 27.62 3e1d n VAL 33 CO 0.00 0.00 0.00 2.30 -1.32 0.00 0.00 176.83 177.81 3e1d n ILE 34 N -1.84 0.24 0.00 2.52 -0.00 -1.26 -4.28 119.36 114.74 3e1d n ILE 34 Ca -0.11 0.00 0.00 0.00 -0.00 0.00 0.00 62.75 62.64 3e1d n ILE 34 Cb 0.58 -0.52 0.00 0.00 -0.00 0.00 0.00 39.64 39.70 3e1d n ILE 34 CO 0.00 0.00 0.00 0.52 -0.00 0.00 0.00 176.55 177.07 3e1d n VAL 35 N 0.33 0.00 -0.58 7.28 0.31 -1.26 -1.06 118.33 123.34 3e1d n VAL 35 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.33 3e1d n VAL 35 Cb 0.23 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.16 3e1d n VAL 35 CO 0.00 0.00 0.00 -1.84 -1.32 0.00 0.00 176.83 173.67 3e1d n GLU 36 N 0.00 1.14 0.00 5.55 0.28 -1.26 -3.51 120.64 122.84 3e1d n GLU 36 Ca 0.00 -0.87 0.00 0.00 -0.16 0.00 0.00 57.16 56.13 3e1d n GLU 36 Cb 0.00 -0.71 0.00 0.00 1.43 0.00 0.00 31.44 32.16 3e1d n GLU 36 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 3e1d n GLY 37 N -0.20 1.65 0.57 -1.84 0.00 -0.23 -5.02 105.19 100.13 3e1d n GLY 37 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 3e1d n GLY 37 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 3e1d n ILE 38 N -0.40 0.08 -0.99 -0.61 -0.00 -1.23 -4.15 119.36 112.06 3e1d n ILE 38 Ca 0.00 0.00 -0.35 0.00 -0.00 0.00 0.00 62.75 62.40 3e1d n ILE 38 Cb 0.00 -0.37 0.07 0.00 -0.00 0.00 0.00 39.64 39.33 3e1d n ILE 38 CO 0.00 0.00 0.00 -3.20 -0.00 0.00 0.00 176.55 173.35 3e1d n ASN 39 N 0.26 -3.97 0.00 7.28 2.85 -1.26 -5.07 115.26 115.36 3e1d n ASN 39 Ca 0.00 0.32 0.00 0.00 -0.11 0.00 0.00 54.58 54.79 3e1d n ASN 39 Cb 0.17 -0.97 0.00 0.00 1.24 0.00 0.00 39.78 40.23 3e1d n ASN 39 CO 0.00 0.00 0.00 -0.11 -2.11 0.00 0.00 177.26 175.04 3e1d n LEU 40 N 1.41 0.00 -3.31 1.20 7.94 -1.26 -4.64 117.00 118.33 3e1d n LEU 40 Ca 0.03 0.00 -0.09 0.00 -1.11 0.00 0.00 56.01 54.84 3e1d n LEU 40 Cb 0.54 -0.04 -0.06 0.00 0.53 0.00 0.00 43.42 44.38 3e1d n LEU 40 CO 0.52 -0.09 -0.07 0.54 -1.11 0.00 0.00 177.39 177.18 3e1d s VAL 41 N -0.18 -0.63 -0.25 1.96 0.11 -1.25 -4.68 120.40 115.48 3e1d s VAL 41 Ca 0.00 -0.25 -0.03 0.00 -2.93 0.00 0.00 61.98 58.77 3e1d s VAL 41 Cb 0.00 -0.95 0.14 0.00 -1.53 0.00 0.00 36.38 34.04 3e1d s VAL 41 CO 0.00 -0.25 0.42 -0.54 -3.33 0.00 0.00 175.10 171.40 3e1d s LYS 42 N 2.54 0.38 0.99 1.54 1.02 0.44 -5.03 119.74 121.62 3e1d s LYS 42 Ca 0.10 0.65 -0.16 0.00 0.02 0.00 0.00 55.97 56.58 3e1d s LYS 42 Cb -0.13 -0.26 -0.03 0.00 -0.52 0.00 0.00 37.83 36.89 3e1d s LYS 42 CO -0.27 -0.61 -0.15 0.36 -0.92 0.00 0.00 175.35 173.76 3e1d n LYS 43 N 5.38 -0.33 -4.45 1.68 2.85 -1.26 -4.12 118.16 117.90 3e1d n LYS 43 Ca -0.04 -0.07 -0.22 0.00 -1.05 0.00 0.00 58.31 56.93 3e1d n LYS 43 Cb 0.50 -1.52 -0.10 0.00 -0.65 0.00 0.00 35.03 33.26 3e1d n LYS 43 CO 0.00 0.00 0.00 -1.01 -0.05 0.00 0.00 177.40 176.34 3e1d s HIS 44 N -2.23 2.01 0.10 5.58 3.76 -1.24 -4.90 115.29 118.37 3e1d s HIS 44 Ca 0.50 -0.78 0.03 0.00 -0.15 0.00 0.00 55.06 54.66 3e1d s HIS 44 Cb -0.17 -1.24 -0.04 0.00 1.11 0.00 0.00 32.58 32.24 3e1d s HIS 44 CO 0.72 0.20 0.11 -0.65 -0.85 0.00 0.00 174.74 174.27 3e1d s GLN 45 N -3.78 2.93 -0.43 1.40 -1.52 -1.26 -4.97 119.66 112.03 3e1d s GLN 45 Ca 0.32 -0.72 0.09 0.00 -1.95 0.00 0.00 55.36 53.11 3e1d s GLN 45 Cb 0.06 -2.73 0.40 0.00 -0.22 0.00 0.00 33.01 30.52 3e1d s GLN 45 CO 0.14 0.55 0.97 1.63 -0.25 0.00 0.00 175.29 178.32 3e1d n LYS 46 N 0.21 2.42 -0.03 2.91 4.76 -1.26 -4.11 118.16 123.07 3e1d n LYS 46 Ca -0.08 -4.10 -0.11 0.00 -2.87 0.00 0.00 58.31 51.15 3e1d n LYS 46 Cb 0.52 -1.91 -0.09 0.00 -1.84 0.00 0.00 35.03 31.71 3e1d n LYS 46 CO 0.00 0.00 0.00 -1.00 -1.37 0.00 0.00 177.40 175.03 3e1d h PRO 47 N 2.84 -0.06 -6.12 1.97 0.13 -2.02 -3.46 132.00 125.29 3e1d h PRO 47 Ca 0.13 0.00 -0.69 0.00 -0.87 0.00 0.00 66.00 64.57 3e1d h PRO 47 Cb 0.90 0.01 0.08 0.00 0.13 0.00 0.00 31.00 32.12 3e1d h PRO 47 CO 0.70 0.58 -0.11 1.55 -0.23 0.00 0.00 178.00 180.49 3e1d n VAL 48 N -4.75 1.14 -0.03 1.56 3.14 -1.26 -4.99 118.33 113.14 3e1d n VAL 48 Ca -0.08 -0.29 -0.15 0.00 -2.96 0.00 0.00 64.34 60.87 3e1d n VAL 48 Cb 0.32 -0.29 -0.14 0.00 -1.06 0.00 0.00 33.84 32.67 3e1d n VAL 48 CO 0.00 0.00 0.00 -0.81 -6.46 0.00 0.00 176.83 169.56 3e1d n PRO 49 N 1.32 0.69 -0.37 1.45 -0.04 -1.26 -4.72 135.00 132.07 3e1d n PRO 49 Ca 0.17 0.23 -0.29 0.00 -0.04 0.00 0.00 63.50 63.57 3e1d n PRO 49 Cb 0.21 -1.70 0.28 0.00 -0.04 0.00 0.00 33.50 32.24 3e1d n PRO 49 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3e1d n ALA 50 N -2.82 -3.89 0.00 0.55 0.00 -1.26 -4.85 120.51 108.25 3e1d n ALA 50 Ca -0.28 -1.51 0.00 0.00 0.00 0.00 0.00 53.44 51.66 3e1d n ALA 50 Cb 1.06 -1.85 0.00 0.00 0.00 0.00 0.00 19.45 18.66 3e1d n ALA 50 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 3e1d n LEU 51 N -5.33 0.00 -0.55 0.00 7.99 -1.26 -3.37 117.00 114.48 3e1d n LEU 51 Ca 0.06 0.30 0.07 0.00 -0.01 0.00 0.00 56.01 56.43 3e1d n LEU 51 Cb 0.56 -0.30 0.06 0.00 -0.11 0.00 0.00 43.42 43.63 3e1d n LEU 51 CO 0.52 -0.30 0.47 -0.46 -1.51 0.00 0.00 177.39 176.11 3e1d n ASN 52 N -1.28 2.14 -1.53 -1.43 6.94 -1.26 -5.05 115.26 113.79 3e1d n ASN 52 Ca 0.00 -1.57 -0.22 0.00 -0.02 0.00 0.00 54.58 52.77 3e1d n ASN 52 Cb 0.05 -0.00 -0.03 0.00 -2.36 0.00 0.00 39.78 37.43 3e1d n ASN 52 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 3e1d n GLN 53 N 0.77 0.00 -1.54 -3.83 6.02 -1.22 -4.73 117.38 112.86 3e1d n GLN 53 Ca 0.08 0.00 -0.35 0.00 -0.01 0.00 0.00 57.00 56.72 3e1d n GLN 53 Cb 0.34 -0.49 -0.05 0.00 1.02 0.00 0.00 30.24 31.06 3e1d n GLN 53 CO 0.00 0.00 0.00 -2.30 -1.01 0.00 0.00 177.06 173.75 3e1d n PRO 54 N 1.31 0.83 0.00 -1.09 -0.02 -1.26 -4.89 135.00 129.89 3e1d n PRO 54 Ca 0.10 -0.08 0.00 0.00 -2.02 0.00 0.00 63.50 61.51 3e1d n PRO 54 Cb -0.02 -3.16 0.02 0.00 -0.02 0.00 0.00 33.50 30.32 3e1d n PRO 54 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3e1d n GLY 55 N 6.14 -0.69 3.78 -1.23 0.00 -1.26 -4.61 105.19 107.32 3e1d n GLY 55 Ca 0.42 -0.00 -0.31 0.00 0.00 0.00 0.00 46.02 46.13 3e1d n GLY 55 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3e1d s GLY 56 N -1.33 1.65 0.00 -0.02 0.00 -1.26 -5.00 107.32 101.37 3e1d s GLY 56 Ca 0.01 0.07 0.00 0.00 0.00 0.00 0.00 44.72 44.80 3e1d s GLY 56 CO 0.01 0.45 0.07 4.51 0.00 0.00 0.00 173.10 178.14 3e1d n ILE 57 N -3.47 0.00 -4.12 0.90 3.06 -1.26 -3.67 119.36 110.79 3e1d n ILE 57 Ca 0.08 0.00 -0.16 0.00 -2.50 0.00 0.00 62.75 60.17 3e1d n ILE 57 Cb 0.54 0.64 -0.04 0.00 0.54 0.00 0.00 39.64 41.31 3e1d n ILE 57 CO 0.00 0.00 0.00 0.54 -2.50 0.00 0.00 176.55 174.59 3e1d s VAL 58 N 0.00 0.00 0.00 9.51 0.11 -1.26 -0.42 120.40 128.34 3e1d s VAL 58 Ca 0.00 -1.67 0.00 0.00 -2.93 0.00 0.00 61.98 57.38 3e1d s VAL 58 Cb 0.00 -2.65 0.00 0.00 -1.53 0.00 0.00 36.38 32.20 3e1d s VAL 58 CO 0.00 0.00 0.00 -0.62 -3.33 0.00 0.00 175.10 171.15 3e1d n GLU 59 N -0.60 0.00 -0.86 1.54 1.02 -1.26 -4.99 120.64 115.49 3e1d n GLU 59 Ca 0.02 0.00 -0.35 0.00 -0.02 0.00 0.00 57.16 56.82 3e1d n GLU 59 Cb 0.61 -2.52 0.10 0.00 -0.02 0.00 0.00 31.44 29.61 3e1d n GLU 59 CO 0.00 0.00 0.00 0.36 1.18 0.00 0.00 177.13 178.67 3e1d n LYS 60 N -1.09 -0.43 -1.54 3.49 2.85 -1.26 -4.72 118.16 115.46 3e1d n LYS 60 Ca 0.00 -0.11 -0.40 0.00 -1.05 0.00 0.00 58.31 56.75 3e1d n LYS 60 Cb 0.00 -1.46 -0.05 0.00 -0.65 0.00 0.00 35.03 32.87 3e1d n LYS 60 CO 0.00 0.00 0.00 -1.91 -0.05 0.00 0.00 177.40 175.44 3e1d n GLU 61 N 0.01 1.20 -4.10 -1.58 2.13 -1.26 -4.86 120.64 112.19 3e1d n GLU 61 Ca 0.02 0.18 -0.32 0.00 0.66 0.00 0.00 57.16 57.69 3e1d n GLU 61 Cb 0.59 -3.09 -0.16 0.00 0.27 0.00 0.00 31.44 29.05 3e1d n GLU 61 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 3e1d s ALA 62 N 10.26 2.24 0.13 4.31 0.00 -1.26 -5.13 121.76 132.31 3e1d s ALA 62 Ca 1.04 -1.16 -0.08 0.00 0.00 0.00 0.00 51.96 51.76 3e1d s ALA 62 Cb -0.41 -1.16 -0.06 0.00 0.00 0.00 0.00 23.12 21.50 3e1d s ALA 62 CO 0.34 -0.36 0.41 0.00 0.00 0.00 0.00 175.76 176.15 3e1d s ALA 63 N 1.33 3.73 -0.29 0.00 0.00 -1.26 -4.36 121.76 120.90 3e1d s ALA 63 Ca 0.05 -0.44 0.00 0.00 0.00 0.00 0.00 51.96 51.58 3e1d s ALA 63 Cb -0.13 -2.24 0.19 0.00 0.00 0.00 0.00 23.12 20.95 3e1d s ALA 63 CO -0.12 0.60 0.68 -1.50 0.00 0.00 0.00 175.76 175.42 3e1d s ILE 64 N -1.57 -0.86 0.92 0.00 1.10 -0.80 -5.01 121.20 114.97 3e1d s ILE 64 Ca 0.39 0.00 -0.12 0.00 -0.51 0.00 0.00 60.65 60.41 3e1d s ILE 64 Cb -0.13 -0.92 0.14 0.00 0.15 0.00 0.00 42.46 41.71 3e1d s ILE 64 CO 0.21 0.00 1.09 -1.10 -2.11 0.00 0.00 174.94 173.03 3e1d s GLN 65 N 2.86 1.06 0.00 3.50 -0.21 -1.12 -4.41 119.66 121.34 3e1d s GLN 65 Ca 0.15 0.75 0.00 0.00 0.02 0.00 0.00 55.36 56.28 3e1d s GLN 65 Cb -0.11 -1.79 0.00 0.00 1.00 0.00 0.00 33.01 32.11 3e1d s GLN 65 CO -0.23 -2.36 0.00 0.28 -2.12 0.00 0.00 175.29 170.86 3e1d n VAL 66 N -3.95 0.00 0.00 1.09 0.31 -1.26 -4.45 118.33 110.06 3e1d n VAL 66 Ca 0.07 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.40 3e1d n VAL 66 Cb 0.56 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.49 3e1d n VAL 66 CO 0.00 0.00 0.00 -0.24 -1.32 0.00 0.00 176.83 175.27 3e1d n SER 67 N 0.15 0.00 -0.07 4.52 2.88 -1.26 -5.00 113.62 114.84 3e1d n SER 67 Ca 0.00 0.00 0.10 0.00 -1.33 0.00 0.00 58.87 57.64 3e1d n SER 67 Cb 0.00 0.00 -0.08 0.00 -0.75 0.00 0.00 64.21 63.38 3e1d n SER 67 CO 0.00 0.00 0.00 0.59 -1.23 0.00 0.00 175.04 174.40 3e1d n ASN 68 N 0.00 1.12 -3.51 -3.46 3.02 -1.26 -4.75 115.26 106.42 3e1d n ASN 68 Ca 0.00 -1.03 -0.29 0.00 -0.03 0.00 0.00 54.58 53.23 3e1d n ASN 68 Cb 0.00 0.89 -0.12 0.00 -0.61 0.00 0.00 39.78 39.94 3e1d n ASN 68 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 3e1d s VAL 69 N -2.93 0.49 -0.42 2.41 1.01 -1.26 -4.87 120.40 114.83 3e1d s VAL 69 Ca 0.10 -2.11 -0.38 0.00 0.00 0.00 0.00 61.98 59.59 3e1d s VAL 69 Cb 0.16 -1.35 -0.16 0.00 0.00 0.00 0.00 36.38 35.03 3e1d s VAL 69 CO 0.82 -1.02 1.55 0.00 0.00 0.00 0.00 175.10 176.46 3e1d n ALA 70 N 3.68 -0.50 -1.06 5.51 0.00 -1.08 -4.28 120.51 122.78 3e1d n ALA 70 Ca 0.15 0.29 -0.41 0.00 0.00 0.00 0.00 53.44 53.47 3e1d n ALA 70 Cb 0.38 -1.67 -0.06 0.00 0.00 0.00 0.00 19.45 18.11 3e1d n ALA 70 CO 0.00 0.00 0.00 0.44 0.00 0.00 0.00 177.50 177.94 3e1d n ILE 71 N 4.35 0.00 0.06 0.00 -5.35 -1.26 -4.20 119.36 112.96 3e1d n ILE 71 Ca 0.36 0.00 -0.12 0.00 -0.27 0.00 0.00 62.75 62.72 3e1d n ILE 71 Cb -0.04 -0.23 -0.07 0.00 -1.74 0.00 0.00 39.64 37.56 3e1d n ILE 71 CO 0.00 0.00 0.00 0.15 -1.76 0.00 0.00 176.55 174.94 3e1d h PHE 72 N 2.81 -1.13 0.00 4.28 3.57 -1.61 -3.45 116.94 121.40 3e1d h PHE 72 Ca -0.29 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.24 3e1d h PHE 72 Cb 0.87 0.49 0.00 0.00 2.79 0.00 0.00 35.95 40.10 3e1d h PHE 72 CO 0.40 -0.43 0.00 0.27 -2.23 0.00 0.00 178.31 176.32 3e1d n ASN 73 N -4.64 0.00 0.00 0.41 6.94 -1.26 -3.43 115.26 113.28 3e1d n ASN 73 Ca -0.06 0.00 0.00 0.00 -0.02 0.00 0.00 54.58 54.50 3e1d n ASN 73 Cb 0.29 0.00 0.00 0.00 -2.36 0.00 0.00 39.78 37.71 3e1d n ASN 73 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 3e1d n ALA 74 N 0.00 1.67 0.02 -2.53 0.00 -1.26 -5.06 120.51 113.35 3e1d n ALA 74 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 3e1d n ALA 74 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 3e1d n ALA 74 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3e1d n ALA 75 N -1.80 1.75 -2.51 0.00 0.00 -1.22 -5.17 120.51 111.55 3e1d n ALA 75 Ca 0.00 0.00 -0.24 0.00 0.00 0.00 0.00 53.44 53.20 3e1d n ALA 75 Cb 0.00 0.00 -0.15 0.00 0.00 0.00 0.00 19.45 19.30 3e1d n ALA 75 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 3e1d s THR 76 N -2.00 1.42 -0.32 0.00 2.01 -1.25 -5.04 115.64 110.45 3e1d s THR 76 Ca 0.00 -0.88 0.07 0.00 0.31 0.00 0.00 61.69 61.19 3e1d s THR 76 Cb 0.00 -1.20 0.48 0.00 0.01 0.00 0.00 72.50 71.78 3e1d s THR 76 CO 0.00 0.31 1.42 0.61 -0.69 0.00 0.00 174.62 176.26 3e1d n GLY 77 N 2.38 5.51 3.33 4.40 0.00 -1.26 -4.72 105.19 114.83 3e1d n GLY 77 Ca -0.16 -1.80 -0.12 0.00 0.00 0.00 0.00 46.02 43.95 3e1d n GLY 77 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3e1d s LYS 78 N -3.42 1.37 0.35 1.61 -2.85 -1.26 -2.64 119.74 112.89 3e1d s LYS 78 Ca 0.48 -1.55 -0.27 0.00 -1.00 0.00 0.00 55.97 53.63 3e1d s LYS 78 Cb 0.42 0.34 -0.09 0.00 -2.06 0.00 0.00 37.83 36.43 3e1d s LYS 78 CO -0.00 -0.50 1.16 0.00 0.10 0.00 0.00 175.35 176.11 3e1d s ALA 79 N -4.02 3.29 -0.17 0.59 0.00 -1.26 -4.47 121.76 115.73 3e1d s ALA 79 Ca 0.34 0.97 -0.14 0.00 0.00 0.00 0.00 51.96 53.12 3e1d s ALA 79 Cb 0.04 -3.37 -0.10 0.00 0.00 0.00 0.00 23.12 19.70 3e1d s ALA 79 CO 0.12 -0.39 -0.02 -3.47 0.00 0.00 0.00 175.76 172.01 3e1d n ASP 80 N 0.57 1.83 -0.27 0.00 2.03 -1.26 -4.36 116.55 115.09 3e1d n ASP 80 Ca 0.02 0.55 0.08 0.00 0.52 0.00 0.00 54.79 55.96 3e1d n ASP 80 Cb 0.45 -0.91 0.22 0.00 -0.72 0.00 0.00 41.12 40.16 3e1d n ASP 80 CO 0.00 0.00 0.00 -0.09 -1.92 0.00 0.00 177.20 175.19 3e1d h ARG 81 N -1.00 0.24 -6.02 -0.67 2.43 -2.01 -3.45 114.38 103.90 3e1d h ARG 81 Ca -0.15 -0.01 -0.81 0.00 -0.81 0.00 0.00 59.98 58.20 3e1d h ARG 81 Cb 0.85 -0.05 0.04 0.00 -0.42 0.00 0.00 29.97 30.38 3e1d h ARG 81 CO -0.09 0.16 0.30 0.28 -1.51 0.00 0.00 179.97 179.10 3e1d n VAL 82 N -5.19 0.01 0.52 0.20 0.31 -1.26 -4.98 118.33 107.93 3e1d n VAL 82 Ca 0.17 -0.00 0.06 0.00 -0.01 0.00 0.00 64.34 64.56 3e1d n VAL 82 Cb 0.55 -0.24 0.05 0.00 -0.91 0.00 0.00 33.84 33.29 3e1d n VAL 82 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3e1d n GLY 83 N 2.38 -0.14 7.00 2.92 0.00 -1.26 -5.00 105.19 111.08 3e1d n GLY 83 Ca 0.23 -0.36 0.00 0.00 0.00 0.00 0.00 46.02 45.89 3e1d n GLY 83 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 3e1d n PHE 84 N 0.71 -0.03 -4.13 1.61 7.35 -1.26 -5.02 117.46 116.69 3e1d n PHE 84 Ca 0.07 0.00 -0.15 0.00 -0.76 0.00 0.00 57.45 56.62 3e1d n PHE 84 Cb 0.32 0.08 -0.06 0.00 0.35 0.00 0.00 39.48 40.17 3e1d n PHE 84 CO 0.00 0.00 0.00 -0.98 -0.76 0.00 0.00 176.76 175.02 3e1d s ARG 85 N 0.00 1.75 0.10 -4.13 1.70 -1.26 -5.16 118.95 111.94 3e1d s ARG 85 Ca 0.00 -1.74 -0.26 0.00 -0.47 0.00 0.00 55.73 53.26 3e1d s ARG 85 Cb 0.00 0.40 -0.15 0.00 -0.57 0.00 0.00 34.95 34.63 3e1d s ARG 85 CO 0.00 -0.69 0.59 1.97 -1.08 0.00 0.00 175.30 176.09 3e1d n PHE 86 N -0.52 -0.03 0.00 5.89 -1.74 -1.26 -4.91 117.46 114.90 3e1d n PHE 86 Ca 0.02 0.80 0.00 0.00 -0.56 0.00 0.00 57.45 57.71 3e1d n PHE 86 Cb 0.62 -1.61 0.00 0.00 1.52 0.00 0.00 39.48 40.02 3e1d n PHE 86 CO 0.00 0.00 0.00 -1.91 -0.56 0.00 0.00 176.76 174.29 3e1d n GLU 87 N 0.96 0.00 0.00 3.97 4.07 -1.26 -4.99 120.64 123.39 3e1d n GLU 87 Ca 0.15 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 57.25 3e1d n GLU 87 Cb 0.14 -0.14 0.00 0.00 -0.06 0.00 0.00 31.44 31.39 3e1d n GLU 87 CO 0.00 0.00 0.00 -0.25 -0.06 0.00 0.00 177.13 176.82 3e1d n ASP 88 N -1.14 0.88 0.00 4.31 8.00 -1.16 -5.06 116.55 122.38 3e1d n ASP 88 Ca 0.00 -1.20 0.00 0.00 0.71 0.00 0.00 54.79 54.30 3e1d n ASP 88 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.10 3e1d n ASP 88 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3e1d n GLY 89 N -0.10 1.39 0.71 0.44 0.00 -1.26 -4.28 105.19 102.10 3e1d n GLY 89 Ca 0.00 -0.02 0.12 0.00 0.00 0.00 0.00 46.02 46.12 3e1d n GLY 89 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 3e1d n LYS 90 N 0.00 1.79 -3.80 1.61 2.85 -1.26 -5.01 118.16 114.35 3e1d n LYS 90 Ca 0.00 -1.43 -0.04 0.00 -1.05 0.00 0.00 58.31 55.78 3e1d n LYS 90 Cb 0.00 -1.47 -0.01 0.00 -0.65 0.00 0.00 35.03 32.90 3e1d n LYS 90 CO 0.00 0.00 0.00 -1.59 -0.05 0.00 0.00 177.40 175.76 3e1d s LYS 91 N -2.20 1.40 -0.07 -1.58 -2.85 -1.26 -5.17 119.74 108.02 3e1d s LYS 91 Ca 0.25 -0.81 -0.02 0.00 -1.00 0.00 0.00 55.97 54.39 3e1d s LYS 91 Cb 0.19 0.46 0.04 0.00 -2.06 0.00 0.00 37.83 36.46 3e1d s LYS 91 CO 0.41 -0.65 0.06 0.08 0.10 0.00 0.00 175.35 175.35 3e1d s VAL 92 N -3.17 -0.03 0.31 1.79 1.01 -1.26 -2.98 120.40 116.07 3e1d s VAL 92 Ca 0.14 0.26 -0.14 0.00 0.00 0.00 0.00 61.98 62.24 3e1d s VAL 92 Cb -0.03 -0.29 -0.09 0.00 0.00 0.00 0.00 36.38 35.97 3e1d s VAL 92 CO 0.04 0.10 0.71 0.00 0.00 0.00 0.00 175.10 175.96 3e1d s ARG 93 N 2.13 3.97 0.13 2.72 1.70 -1.26 -4.65 118.95 123.70 3e1d s ARG 93 Ca 0.04 0.62 0.05 0.00 -0.47 0.00 0.00 55.73 55.97 3e1d s ARG 93 Cb -0.13 -2.45 -0.04 0.00 -0.57 0.00 0.00 34.95 31.76 3e1d s ARG 93 CO -0.04 0.17 -0.11 0.12 -1.08 0.00 0.00 175.30 174.36 3e1d s PHE 94 N -1.98 1.25 0.00 5.89 5.36 0.07 -4.77 117.98 123.80 3e1d s PHE 94 Ca 0.53 -0.69 0.00 0.00 -0.96 0.00 0.00 56.93 55.81 3e1d s PHE 94 Cb -0.10 -0.64 0.00 0.00 -0.34 0.00 0.00 43.02 41.93 3e1d s PHE 94 CO 0.18 0.08 0.00 0.34 -1.46 0.00 0.00 175.22 174.36 3e1d n PHE 95 N 0.11 0.00 -3.79 10.12 -0.00 -1.26 -4.61 117.46 118.04 3e1d n PHE 95 Ca -0.13 0.00 -0.04 0.00 -0.00 0.00 0.00 57.45 57.28 3e1d n PHE 95 Cb 0.59 0.00 -0.02 0.00 -0.00 0.00 0.00 39.48 40.06 3e1d n PHE 95 CO 0.00 0.00 0.00 -1.59 -0.00 0.00 0.00 176.76 175.17 3e1d s LYS 96 N 0.71 1.38 0.00 -4.13 -2.85 -1.26 -4.48 119.74 109.10 3e1d s LYS 96 Ca 0.00 -0.76 0.00 0.00 -1.00 0.00 0.00 55.97 54.21 3e1d s LYS 96 Cb 0.00 0.47 0.00 0.00 -2.06 0.00 0.00 37.83 36.24 3e1d s LYS 96 CO 0.00 -0.63 0.02 -1.13 0.10 0.00 0.00 175.35 173.71 3e1d n SER 97 N -0.47 0.00 0.00 0.03 3.41 -1.26 -1.60 113.62 113.73 3e1d n SER 97 Ca -0.05 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.56 3e1d n SER 97 Cb 0.60 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.55 3e1d n SER 97 CO 0.00 0.00 0.00 -0.46 -0.16 0.00 0.00 175.04 174.42 3e1d n ASN 98 N -0.49 0.00 -0.36 4.04 6.94 -1.26 -4.93 115.26 119.20 3e1d n ASN 98 Ca 0.00 -1.00 0.02 0.00 -0.02 0.00 0.00 54.58 53.58 3e1d n ASN 98 Cb 0.00 0.00 0.03 0.00 -2.36 0.00 0.00 39.78 37.45 3e1d n ASN 98 CO 0.00 0.00 0.00 -1.54 -1.03 0.00 0.00 177.26 174.69 3e1d n SER 99 N 0.00 0.50 0.00 0.53 3.41 -0.63 -5.09 113.62 112.34 3e1d n SER 99 Ca 0.00 -2.11 0.00 0.00 -0.26 0.00 0.00 58.87 56.50 3e1d n SER 99 Cb 0.28 -0.22 0.00 0.00 -0.26 0.00 0.00 64.21 64.01 3e1d n SER 99 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 3e1d n GLU 100 N -0.29 0.00 -4.02 4.33 -0.58 -1.24 -4.63 120.64 114.21 3e1d n GLU 100 Ca 0.03 0.00 -0.10 0.00 -0.42 0.00 0.00 57.16 56.67 3e1d n GLU 100 Cb 0.66 0.00 -0.08 0.00 -0.57 0.00 0.00 31.44 31.45 3e1d n GLU 100 CO 0.00 0.00 0.00 -0.08 -0.48 0.00 0.00 177.13 176.57 3e1d s THR 101 N 0.00 0.07 -1.09 2.62 -1.32 -1.26 -4.16 115.64 110.50 3e1d s THR 101 Ca 0.00 -1.55 0.00 0.00 -1.21 0.00 0.00 61.69 58.93 3e1d s THR 101 Cb 0.00 -1.91 0.00 0.00 -1.51 0.00 0.00 72.50 69.08 3e1d s THR 101 CO 0.00 -0.34 0.27 0.00 -2.21 0.00 0.00 174.62 172.34