#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2cup s SER 2 N 0.00 2.96 -1.38 1.61 1.04 -1.26 -3.60 113.70 113.06 2cup s SER 2 Ca 0.00 1.90 -0.04 0.00 0.48 0.00 0.00 55.95 58.29 2cup s SER 2 Cb 0.00 -2.45 0.03 0.00 0.10 0.00 0.00 66.02 63.69 2cup s SER 2 CO 0.00 -3.03 0.76 -1.20 0.98 0.00 0.00 173.24 170.75 2cup n SER 3 N -4.17 -2.15 0.00 7.02 7.64 -1.26 -4.92 113.62 115.79 2cup n SER 3 Ca 0.09 -0.82 0.00 0.00 1.01 0.00 0.00 58.87 59.15 2cup n SER 3 Cb 0.53 -3.92 0.00 0.00 -1.01 0.00 0.00 64.21 59.81 2cup n SER 3 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2cup n GLY 4 N -1.64 -2.72 3.67 0.23 0.00 -1.24 -4.56 105.19 98.93 2cup n GLY 4 Ca -0.20 0.20 -0.49 0.00 0.00 0.00 0.00 46.02 45.53 2cup n GLY 4 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2cup n SER 5 N -2.20 2.99 -4.96 1.61 3.41 -1.26 -4.97 113.62 108.24 2cup n SER 5 Ca 0.00 1.05 -0.23 0.00 -0.26 0.00 0.00 58.87 59.43 2cup n SER 5 Cb 0.00 -1.35 -0.02 0.00 -0.26 0.00 0.00 64.21 62.58 2cup n SER 5 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 2cup s SER 6 N 2.27 6.33 0.47 4.04 0.01 -1.26 -5.03 113.70 120.53 2cup s SER 6 Ca 0.86 0.15 0.02 0.00 1.31 0.00 0.00 55.95 58.30 2cup s SER 6 Cb -0.75 -1.90 -0.02 0.00 0.21 0.00 0.00 66.02 63.56 2cup s SER 6 CO 0.46 -0.07 0.05 -0.83 0.41 0.00 0.00 173.24 173.27 2cup s GLY 7 N -3.79 2.86 -0.03 3.44 0.00 -1.26 -2.26 107.32 106.28 2cup s GLY 7 Ca 0.35 -0.75 -0.04 0.00 0.00 0.00 0.00 44.72 44.28 2cup s GLY 7 CO 0.30 -2.06 0.19 0.00 0.00 0.00 0.00 173.10 171.53 2cup n VAL 9 N 1.17 0.00 -0.10 0.00 0.24 -1.16 -2.48 118.33 116.01 2cup n VAL 9 Ca -0.13 -0.01 -0.16 0.00 -2.04 0.00 0.00 64.34 62.00 2cup n VAL 9 Cb 0.53 0.53 -0.07 0.00 -1.47 0.00 0.00 33.84 33.36 2cup n VAL 9 CO 0.00 0.00 0.00 1.21 -2.14 0.00 0.00 176.83 175.90 2cup n GLU 10 N -1.46 0.53 -0.73 7.34 0.00 -1.26 -4.43 120.64 120.63 2cup n GLU 10 Ca 0.05 0.47 0.08 0.00 0.00 0.00 0.00 57.16 57.76 2cup n GLU 10 Cb 0.34 -1.65 0.37 0.00 0.00 0.00 0.00 31.44 30.49 2cup n GLU 10 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 2cup n ARG 12 N 0.75 -1.31 -4.33 0.00 -4.01 -1.03 -4.84 116.66 101.88 2cup n ARG 12 Ca 0.26 0.05 -0.24 0.00 -1.04 0.00 0.00 57.85 56.89 2cup n ARG 12 Cb 1.03 -2.72 -0.08 0.00 -3.04 0.00 0.00 32.46 27.65 2cup n ARG 12 CO 0.00 0.00 0.00 0.15 -3.04 0.00 0.00 177.63 174.74 2cup s LYS 13 N -4.04 2.13 0.35 2.89 1.02 -1.24 -4.85 119.74 116.01 2cup s LYS 13 Ca 0.31 -1.47 -0.27 0.00 0.02 0.00 0.00 55.97 54.56 2cup s LYS 13 Cb -0.18 -2.08 -0.09 0.00 -0.52 0.00 0.00 37.83 34.95 2cup s LYS 13 CO 0.39 0.37 1.21 -1.25 -0.92 0.00 0.00 175.35 175.14 2cup s PRO 14 N -3.52 4.27 -0.01 -1.68 0.04 -1.26 -0.25 135.00 132.58 2cup s PRO 14 Ca 0.30 1.98 0.00 0.00 0.04 0.00 0.00 61.00 63.33 2cup s PRO 14 Cb -0.06 -2.92 -0.04 0.00 0.04 0.00 0.00 34.50 31.52 2cup s PRO 14 CO 0.18 -0.18 0.03 0.42 0.04 0.00 0.00 177.00 177.49 2cup s ILE 15 N -1.26 4.36 0.29 0.56 1.01 -0.96 -4.84 121.20 120.37 2cup s ILE 15 Ca 0.52 -0.50 0.03 0.00 0.00 0.00 0.00 60.65 60.70 2cup s ILE 15 Cb -0.35 -2.95 -0.03 0.00 0.01 0.00 0.00 42.46 39.14 2cup s ILE 15 CO 0.45 0.39 0.44 -0.83 0.00 0.00 0.00 174.94 175.39 2cup s GLY 16 N -1.55 1.28 0.14 6.18 0.00 -1.26 -4.64 107.32 107.48 2cup s GLY 16 Ca 0.20 -1.12 -0.11 0.00 0.00 0.00 0.00 44.72 43.69 2cup s GLY 16 CO 0.11 -1.10 1.51 0.00 0.00 0.00 0.00 173.10 173.62 2cup h ALA 17 N 0.99 0.61 0.00 3.20 0.00 -1.99 -2.99 119.26 119.08 2cup h ALA 17 Ca -0.51 -0.40 -0.10 0.00 0.00 0.00 0.00 54.91 53.90 2cup h ALA 17 Cb 1.23 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.86 2cup h ALA 17 CO 0.61 0.62 -0.48 0.22 0.00 0.00 0.00 179.25 180.21 2cup h ASP 18 N 0.77 0.00 -3.31 0.00 1.82 -2.05 -3.44 116.42 110.20 2cup h ASP 18 Ca 0.09 0.00 -0.53 0.00 -0.39 0.00 0.00 57.03 56.21 2cup h ASP 18 Cb 0.83 0.00 0.02 0.00 0.68 0.00 0.00 39.33 40.86 2cup h ASP 18 CO 0.07 0.48 0.63 -0.94 -1.61 0.00 0.00 179.24 177.88 2cup s SER 19 N -6.89 6.95 -0.43 2.28 1.04 -1.13 -4.92 113.70 110.60 2cup s SER 19 Ca -0.02 2.30 -0.27 0.00 0.48 0.00 0.00 55.95 58.44 2cup s SER 19 Cb 0.14 -2.60 -0.04 0.00 0.10 0.00 0.00 66.02 63.61 2cup s SER 19 CO 0.74 -0.51 2.11 -0.54 0.98 0.00 0.00 173.24 176.02 2cup s LYS 20 N 0.23 2.70 0.06 4.02 3.01 -1.26 -4.75 119.74 123.74 2cup s LYS 20 Ca 0.58 1.34 0.02 0.00 -1.01 0.00 0.00 55.97 56.90 2cup s LYS 20 Cb -0.35 -4.41 -0.04 0.00 -1.01 0.00 0.00 37.83 32.02 2cup s LYS 20 CO 0.35 -2.61 0.08 -1.83 0.51 0.00 0.00 175.35 171.85 2cup s GLU 21 N 7.02 2.92 -0.32 1.68 -1.05 -1.26 -1.44 118.70 126.25 2cup s GLU 21 Ca 0.87 -0.64 0.01 0.00 -0.15 0.00 0.00 54.97 55.05 2cup s GLU 21 Cb -0.20 -2.75 0.07 0.00 -0.44 0.00 0.00 34.13 30.81 2cup s GLU 21 CO 0.28 0.59 0.01 0.08 0.95 0.00 0.00 175.26 177.17 2cup s VAL 22 N -1.33 2.64 -0.35 1.83 1.01 -0.67 -4.95 120.40 118.58 2cup s VAL 22 Ca 0.27 -1.79 -0.20 0.00 0.00 0.00 0.00 61.98 60.27 2cup s VAL 22 Cb -0.12 -2.67 0.00 0.00 0.00 0.00 0.00 36.38 33.59 2cup s VAL 22 CO 0.20 -0.29 0.61 -2.28 0.00 0.00 0.00 175.10 173.34 2cup s HIS 23 N 1.11 3.16 -0.18 5.22 5.04 -1.26 -2.32 115.29 126.06 2cup s HIS 23 Ca -0.00 0.32 -0.07 0.00 -1.54 0.00 0.00 55.06 53.76 2cup s HIS 23 Cb -0.20 -3.10 0.08 0.00 0.04 0.00 0.00 32.58 29.40 2cup s HIS 23 CO -0.04 -0.61 0.38 -0.47 -2.34 0.00 0.00 174.74 171.66 2cup s TYR 24 N 2.65 -0.67 -0.94 3.88 5.04 -1.12 -4.92 117.35 121.27 2cup s TYR 24 Ca 0.23 1.35 -0.03 0.00 -2.44 0.00 0.00 57.07 56.18 2cup s TYR 24 Cb -0.15 0.22 0.00 0.00 0.35 0.00 0.00 41.96 42.39 2cup s TYR 24 CO 0.14 -0.43 0.80 1.63 -1.34 0.00 0.00 175.55 176.36 2cup n LYS 25 N 5.16 -5.35 -2.25 4.97 4.76 -1.26 -2.36 118.16 121.83 2cup n LYS 25 Ca -0.11 0.62 -0.20 0.00 -2.87 0.00 0.00 58.31 55.75 2cup n LYS 25 Cb 0.51 -5.00 -0.02 0.00 -1.84 0.00 0.00 35.03 28.67 2cup n LYS 25 CO 0.00 0.00 0.00 0.09 -1.37 0.00 0.00 177.40 176.12 2cup n ASN 26 N -2.26 -5.72 -4.37 4.39 4.13 -1.26 -4.97 115.26 105.20 2cup n ASN 26 Ca -0.12 0.09 -0.29 0.00 1.68 0.00 0.00 54.58 55.94 2cup n ASN 26 Cb 0.59 -4.82 -0.06 0.00 -1.54 0.00 0.00 39.78 33.94 2cup n ASN 26 CO 0.00 0.00 0.00 0.54 0.28 0.00 0.00 177.26 178.08 2cup n ARG 27 N -2.88 0.78 -3.65 3.52 5.12 -1.00 -5.15 116.66 113.42 2cup n ARG 27 Ca -0.23 -3.47 -0.04 0.00 -1.93 0.00 0.00 57.85 52.18 2cup n ARG 27 Cb 0.68 1.13 -0.05 0.00 -1.16 0.00 0.00 32.46 33.06 2cup n ARG 27 CO 0.00 0.00 0.00 -0.06 -1.93 0.00 0.00 177.63 175.64 2cup s PHE 28 N -2.80 -1.22 0.04 -1.55 0.40 -1.25 -2.80 117.98 108.80 2cup s PHE 28 Ca 0.04 2.24 0.07 0.00 -0.60 0.00 0.00 56.93 58.68 2cup s PHE 28 Cb 0.00 0.73 -0.02 0.00 0.51 0.00 0.00 43.02 44.24 2cup s PHE 28 CO 0.03 -0.61 -0.20 -1.58 0.70 0.00 0.00 175.22 173.56 2cup s TRP 29 N 2.34 1.77 0.70 0.36 0.51 -0.98 -2.97 118.94 120.67 2cup s TRP 29 Ca -0.08 -0.37 -0.14 0.00 -2.12 0.00 0.00 56.10 53.39 2cup s TRP 29 Cb -0.09 -1.06 0.02 0.00 -0.81 0.00 0.00 33.47 31.53 2cup s TRP 29 CO -0.19 0.08 1.11 -1.01 -0.51 0.00 0.00 176.95 176.43 2cup s HIS 30 N -0.79 2.55 -0.35 -1.98 3.76 -1.26 -1.66 115.29 115.55 2cup s HIS 30 Ca 0.07 1.56 0.11 0.00 -0.15 0.00 0.00 55.06 56.66 2cup s HIS 30 Cb -0.09 -3.16 0.62 0.00 1.11 0.00 0.00 32.58 31.06 2cup s HIS 30 CO 0.02 -1.81 1.28 -3.47 -0.85 0.00 0.00 174.74 169.91 2cup n ASP 31 N -2.76 0.29 -0.00 1.40 2.03 -0.52 -0.23 116.55 116.76 2cup n ASP 31 Ca 0.10 0.57 0.05 0.00 0.52 0.00 0.00 54.79 56.04 2cup n ASP 31 Cb 0.52 -0.58 -0.08 0.00 -0.72 0.00 0.00 41.12 40.26 2cup n ASP 31 CO 0.00 0.00 0.00 0.35 -1.92 0.00 0.00 177.20 175.63 2cup n THR 32 N -1.89 0.00 -0.02 5.18 -2.24 -1.26 -4.64 114.28 109.41 2cup n THR 32 Ca -0.01 -0.24 -0.21 0.00 -2.27 0.00 0.00 64.05 61.32 2cup n THR 32 Cb 0.14 0.34 -0.13 0.00 -2.10 0.00 0.00 70.33 68.58 2cup n THR 32 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2cup n PHE 34 N -4.07 1.44 -3.87 0.00 7.35 0.25 -4.85 117.46 113.70 2cup n PHE 34 Ca -0.25 0.11 -0.08 0.00 -0.76 0.00 0.00 57.45 56.46 2cup n PHE 34 Cb 0.82 -2.64 -0.01 0.00 0.35 0.00 0.00 39.48 38.01 2cup n PHE 34 CO 0.00 0.00 0.00 -0.98 -0.76 0.00 0.00 176.76 175.02 2cup s ARG 35 N 8.15 1.93 0.98 -4.13 1.70 -1.26 -3.30 118.95 123.02 2cup s ARG 35 Ca 1.00 -1.24 -0.12 0.00 -0.47 0.00 0.00 55.73 54.90 2cup s ARG 35 Cb -0.24 0.59 0.18 0.00 -0.57 0.00 0.00 34.95 34.91 2cup s ARG 35 CO 0.28 -0.88 1.08 0.00 -1.08 0.00 0.00 175.30 174.70 2cup n ALA 37 N -4.19 3.19 -0.10 0.00 0.00 -0.88 -3.44 120.51 115.09 2cup n ALA 37 Ca 0.06 -0.39 -0.19 0.00 0.00 0.00 0.00 53.44 52.92 2cup n ALA 37 Cb 0.55 -0.41 -0.07 0.00 0.00 0.00 0.00 19.45 19.52 2cup n ALA 37 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 2cup n LYS 38 N -0.75 0.42 -0.00 0.00 5.02 -1.26 -4.69 118.16 116.90 2cup n LYS 38 Ca 0.03 0.17 0.09 0.00 -2.02 0.00 0.00 58.31 56.58 2cup n LYS 38 Cb 0.21 -1.22 -0.11 0.00 -0.02 0.00 0.00 35.03 33.89 2cup n LYS 38 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2cup n LEU 40 N -1.59 -4.55 -4.34 0.00 4.77 -1.22 -4.96 117.00 105.10 2cup n LEU 40 Ca 0.02 -0.62 -0.32 0.00 -0.03 0.00 0.00 56.01 55.06 2cup n LEU 40 Cb 0.32 -3.02 -0.15 0.00 -2.33 0.00 0.00 43.42 38.25 2cup n LEU 40 CO 0.36 0.25 -0.51 -2.28 -1.33 0.00 0.00 177.39 173.88 2cup s HIS 41 N -3.35 2.59 -0.03 -1.77 2.46 -1.26 -4.70 115.29 109.23 2cup s HIS 41 Ca 0.18 -0.57 -0.30 0.00 0.47 0.00 0.00 55.06 54.84 2cup s HIS 41 Cb -0.02 -1.67 -0.05 0.00 -0.13 0.00 0.00 32.58 30.71 2cup s HIS 41 CO 0.69 -0.12 1.47 -1.25 -2.47 0.00 0.00 174.74 173.07 2cup s PRO 42 N -0.18 4.24 -0.43 2.88 0.04 -1.26 0.42 135.00 140.71 2cup s PRO 42 Ca -0.02 2.02 0.05 0.00 0.04 0.00 0.00 61.00 63.08 2cup s PRO 42 Cb -0.14 -3.72 0.60 0.00 0.04 0.00 0.00 34.50 31.28 2cup s PRO 42 CO 0.03 -0.68 1.79 1.28 0.04 0.00 0.00 177.00 179.46 2cup n LEU 43 N 6.05 6.10 -0.28 -3.56 7.99 -1.21 -4.62 117.00 127.49 2cup n LEU 43 Ca 0.15 -3.77 -0.02 0.00 -0.01 0.00 0.00 56.01 52.35 2cup n LEU 43 Cb 0.43 -0.79 0.10 0.00 -0.11 0.00 0.00 43.42 43.05 2cup n LEU 43 CO 0.60 1.19 1.17 0.00 -1.51 0.00 0.00 177.39 178.83 2cup h ALA 44 N 1.15 1.02 -0.01 -1.18 0.00 -1.91 -3.06 119.26 115.26 2cup h ALA 44 Ca 0.52 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.41 2cup h ALA 44 Cb 2.28 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 19.83 2cup h ALA 44 CO 0.96 0.26 -0.06 0.09 0.00 0.00 0.00 179.25 180.50 2cup n ASN 45 N -4.64 1.25 -4.95 0.00 4.13 -1.26 -5.03 115.26 104.77 2cup n ASN 45 Ca 0.09 -1.13 -0.21 0.00 1.68 0.00 0.00 54.58 55.02 2cup n ASN 45 Cb 0.11 0.22 0.01 0.00 -1.54 0.00 0.00 39.78 38.58 2cup n ASN 45 CO 0.00 0.00 0.00 -1.61 0.28 0.00 0.00 177.26 175.93 2cup s GLU 46 N -0.76 2.47 0.32 3.52 8.01 -1.16 -5.12 118.70 125.99 2cup s GLU 46 Ca 0.06 -1.61 -0.13 0.00 0.01 0.00 0.00 54.97 53.30 2cup s GLU 46 Cb 0.05 -2.46 -0.08 0.00 -4.31 0.00 0.00 34.13 27.33 2cup s GLU 46 CO 0.11 -0.47 0.70 0.99 0.01 0.00 0.00 175.26 176.60 2cup s THR 47 N -2.56 4.75 0.27 3.63 2.01 -1.26 -4.80 115.64 117.68 2cup s THR 47 Ca 0.50 0.79 0.02 0.00 0.31 0.00 0.00 61.69 63.31 2cup s THR 47 Cb -0.05 -3.63 -0.03 0.00 0.01 0.00 0.00 72.50 68.80 2cup s THR 47 CO 0.30 -0.21 0.24 0.72 -0.69 0.00 0.00 174.62 174.98 2cup s PHE 48 N -2.01 1.39 -0.09 4.92 -0.71 -1.26 -4.03 117.98 116.18 2cup s PHE 48 Ca 0.52 -1.48 -0.07 0.00 -1.04 0.00 0.00 56.93 54.87 2cup s PHE 48 Cb -0.10 -0.56 0.03 0.00 -1.21 0.00 0.00 43.02 41.17 2cup s PHE 48 CO 0.20 -0.80 0.24 0.08 -1.34 0.00 0.00 175.22 173.61 2cup s VAL 49 N -3.75 -0.02 -0.40 -2.49 1.01 0.86 -4.91 120.40 110.71 2cup s VAL 49 Ca 0.39 0.06 -0.12 0.00 0.00 0.00 0.00 61.98 62.30 2cup s VAL 49 Cb 0.04 -0.35 0.04 0.00 0.00 0.00 0.00 36.38 36.11 2cup s VAL 49 CO 0.20 0.02 0.25 0.00 0.00 0.00 0.00 175.10 175.56 2cup s ALA 50 N 0.56 3.33 0.02 5.51 0.00 -1.26 -1.70 121.76 128.22 2cup s ALA 50 Ca -0.04 -1.82 -0.02 0.00 0.00 0.00 0.00 51.96 50.09 2cup s ALA 50 Cb -0.05 -2.69 -0.02 0.00 0.00 0.00 0.00 23.12 20.36 2cup s ALA 50 CO -0.03 -1.47 0.01 0.15 0.00 0.00 0.00 175.76 174.41 2cup s LYS 51 N 1.56 0.35 -1.40 0.00 1.02 -1.08 -4.85 119.74 115.34 2cup s LYS 51 Ca 0.03 -0.57 -0.12 0.00 0.02 0.00 0.00 55.97 55.33 2cup s LYS 51 Cb -0.20 0.13 0.09 0.00 -0.52 0.00 0.00 37.83 37.33 2cup s LYS 51 CO 0.07 -0.06 0.61 -3.47 -0.92 0.00 0.00 175.35 171.57 2cup n ASP 52 N 1.56 -3.75 -3.35 2.83 2.03 -1.26 0.07 116.55 114.68 2cup n ASP 52 Ca -0.24 -0.57 -0.24 0.00 0.52 0.00 0.00 54.79 54.26 2cup n ASP 52 Cb 0.55 -3.08 0.01 0.00 -0.72 0.00 0.00 41.12 37.88 2cup n ASP 52 CO 0.00 0.00 0.00 -3.20 -1.92 0.00 0.00 177.20 172.08 2cup n ASN 53 N -2.43 -4.55 -3.79 1.67 5.15 -1.26 -4.95 115.26 105.10 2cup n ASN 53 Ca 0.01 -0.42 -0.14 0.00 -0.60 0.00 0.00 54.58 53.44 2cup n ASN 53 Cb 0.53 -3.71 -0.15 0.00 -0.53 0.00 0.00 39.78 35.92 2cup n ASN 53 CO 0.00 0.00 0.00 -0.54 1.40 0.00 0.00 177.26 178.12 2cup s LYS 54 N -6.02 0.03 -0.05 1.20 1.02 0.11 -5.13 119.74 110.90 2cup s LYS 54 Ca 0.41 0.21 -0.30 0.00 0.02 0.00 0.00 55.97 56.31 2cup s LYS 54 Cb -0.21 -0.15 -0.03 0.00 -0.52 0.00 0.00 37.83 36.92 2cup s LYS 54 CO 0.51 -0.12 1.13 0.42 -0.92 0.00 0.00 175.35 176.37 2cup s ILE 55 N 0.81 4.41 0.05 2.17 -1.09 -1.26 -2.63 121.20 123.66 2cup s ILE 55 Ca -0.06 1.72 0.00 0.00 -2.23 0.00 0.00 60.65 60.08 2cup s ILE 55 Cb -0.09 -4.10 -0.03 0.00 -1.58 0.00 0.00 42.46 36.65 2cup s ILE 55 CO -0.03 0.03 -0.05 -0.76 -1.23 0.00 0.00 174.94 172.90 2cup s LEU 56 N 1.91 2.39 0.51 2.97 1.43 -0.69 -2.07 118.68 125.13 2cup s LEU 56 Ca 0.54 -0.79 0.08 0.00 -1.03 0.00 0.00 54.13 52.93 2cup s LEU 56 Cb -0.23 0.05 0.05 0.00 0.03 0.00 0.00 46.19 46.09 2cup s LEU 56 CO 0.22 -0.42 0.71 0.00 0.23 0.00 0.00 176.35 177.09 2cup h ASN 58 N 0.33 0.82 -0.81 0.00 7.08 -1.91 0.01 115.58 121.09 2cup h ASN 58 Ca -0.35 -0.25 0.12 0.00 -3.08 0.00 0.00 56.30 52.73 2cup h ASN 58 Cb 1.28 -0.22 -0.08 0.00 -2.08 0.00 0.00 38.32 37.23 2cup h ASN 58 CO 0.43 0.86 0.43 0.50 -2.08 0.00 0.00 177.43 177.57 2cup h LYS 59 N 0.74 0.65 0.17 4.14 1.63 -1.92 0.28 116.57 122.26 2cup h LYS 59 Ca 0.16 -0.04 -0.01 0.00 -0.85 0.00 0.00 60.65 59.91 2cup h LYS 59 Cb 0.38 -0.15 0.00 0.00 -0.60 0.00 0.00 32.23 31.86 2cup h LYS 59 CO 0.01 0.43 -0.08 0.00 -3.45 0.00 0.00 179.45 176.36 2cup h THR 61 N -1.05 0.48 0.00 0.00 1.35 -0.89 -3.06 112.91 109.74 2cup h THR 61 Ca -0.02 -0.16 0.00 0.00 -0.55 0.00 0.00 66.41 65.67 2cup h THR 61 Cb 0.23 -0.04 0.00 0.00 -1.73 0.00 0.00 68.15 66.61 2cup h THR 61 CO 0.04 0.09 -0.12 0.74 -0.25 0.00 0.00 175.52 176.02 2cup h THR 62 N 0.48 0.00 -3.24 6.82 2.02 -0.53 -3.43 112.91 115.03 2cup h THR 62 Ca 0.66 -0.43 -0.57 0.00 0.77 0.00 0.00 66.41 66.84 2cup h THR 62 Cb 1.42 0.00 -0.04 0.00 -1.74 0.00 0.00 68.15 67.79 2cup h THR 62 CO -0.46 0.00 -0.13 -0.13 0.37 0.00 0.00 175.52 175.18 2cup s ARG 63 N -1.39 3.94 -1.14 6.66 1.81 0.91 -4.21 118.95 125.53 2cup s ARG 63 Ca -0.03 0.43 -0.05 0.00 -1.72 0.00 0.00 55.73 54.37 2cup s ARG 63 Cb 0.00 -3.00 0.01 0.00 -0.45 0.00 0.00 34.95 31.51 2cup s ARG 63 CO 0.05 0.53 0.98 0.39 -0.68 0.00 0.00 175.30 176.56 2cup n GLU 64 N 0.99 -6.53 -3.55 3.54 1.02 -1.26 -3.78 120.64 111.07 2cup n GLU 64 Ca -0.07 0.74 -0.41 0.00 -0.02 0.00 0.00 57.16 57.40 2cup n GLU 64 Cb 0.52 -5.47 -0.06 0.00 -0.02 0.00 0.00 31.44 26.41 2cup n GLU 64 CO 0.00 0.00 0.00 0.16 1.18 0.00 0.00 177.13 178.47 2cup s ASP 65 N -3.66 5.91 -0.14 1.62 1.47 -1.24 -4.87 116.67 115.76 2cup s ASP 65 Ca 0.30 -2.84 -0.08 0.00 1.18 0.00 0.00 52.55 51.12 2cup s ASP 65 Cb -0.13 -2.01 -0.04 0.00 -0.34 0.00 0.00 42.92 40.40 2cup s ASP 65 CO 0.64 -0.44 0.13 -0.44 0.68 0.00 0.00 175.17 175.74 2cup s SER 66 N 1.25 6.28 1.21 2.11 0.01 -1.26 -5.08 113.70 118.22 2cup s SER 66 Ca 0.18 0.39 -0.20 0.00 1.31 0.00 0.00 55.95 57.63 2cup s SER 66 Cb -0.15 -2.05 0.29 0.00 0.21 0.00 0.00 66.02 64.32 2cup s SER 66 CO -0.06 0.34 1.11 -2.16 0.41 0.00 0.00 173.24 172.89 2cup s PRO 67 N -0.64 -1.31 0.07 12.44 0.04 -1.26 -4.95 135.00 139.39 2cup s PRO 67 Ca 0.13 -0.10 0.00 0.00 0.04 0.00 0.00 61.00 61.08 2cup s PRO 67 Cb -0.12 -1.59 -0.04 0.00 0.04 0.00 0.00 34.50 32.79 2cup s PRO 67 CO 0.02 -3.77 -0.05 -1.59 0.04 0.00 0.00 177.00 171.66 2cup s LYS 68 N -5.43 0.71 0.33 4.56 -2.85 -1.26 -3.16 119.74 112.64 2cup s LYS 68 Ca 0.71 -1.26 0.07 0.00 -1.00 0.00 0.00 55.97 54.49 2cup s LYS 68 Cb -0.09 -0.00 -0.01 0.00 -2.06 0.00 0.00 37.83 35.66 2cup s LYS 68 CO 0.56 -0.06 0.43 0.00 0.10 0.00 0.00 175.35 176.38 2cup n LYS 70 N -1.57 2.63 -0.21 0.00 0.00 -1.26 -3.43 118.16 114.32 2cup n LYS 70 Ca -0.01 -0.01 -0.07 0.00 0.00 0.00 0.00 58.31 58.21 2cup n LYS 70 Cb 0.58 -1.10 0.06 0.00 0.00 0.00 0.00 35.03 34.58 2cup n LYS 70 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.40 178.18 2cup h GLY 71 N 0.75 1.13 0.00 3.14 0.00 -1.94 -3.36 103.07 102.79 2cup h GLY 71 Ca -0.08 -0.77 0.00 0.00 0.00 0.00 0.00 47.33 46.48 2cup h GLY 71 CO 0.00 0.71 -0.77 0.00 0.00 0.00 0.00 176.54 176.49 2cup n PHE 73 N -1.23 -0.73 -4.24 0.00 7.35 -1.22 -5.06 117.46 112.33 2cup n PHE 73 Ca 0.00 0.29 -0.20 0.00 -0.76 0.00 0.00 57.45 56.78 2cup n PHE 73 Cb 0.06 -3.00 -0.12 0.00 0.35 0.00 0.00 39.48 36.77 2cup n PHE 73 CO 0.00 0.00 0.00 0.15 -0.76 0.00 0.00 176.76 176.15 2cup s LYS 74 N -4.18 1.01 0.02 -4.13 1.02 -1.26 -4.86 119.74 107.35 2cup s LYS 74 Ca 0.04 -1.14 -0.33 0.00 0.02 0.00 0.00 55.97 54.56 2cup s LYS 74 Cb -0.00 -1.07 -0.12 0.00 -0.52 0.00 0.00 37.83 36.12 2cup s LYS 74 CO 0.23 0.23 1.83 0.00 -0.92 0.00 0.00 175.35 176.72 2cup n ALA 75 N 0.93 1.30 -2.30 5.17 0.00 -1.26 -2.54 120.51 121.81 2cup n ALA 75 Ca -0.18 0.31 -0.39 0.00 0.00 0.00 0.00 53.44 53.18 2cup n ALA 75 Cb 0.55 -2.51 -0.06 0.00 0.00 0.00 0.00 19.45 17.43 2cup n ALA 75 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 2cup s ILE 76 N 3.25 4.69 -0.01 0.00 1.01 -1.19 -4.95 121.20 124.00 2cup s ILE 76 Ca 0.87 1.47 -0.01 0.00 0.00 0.00 0.00 60.65 62.98 2cup s ILE 76 Cb -0.62 -4.03 -0.04 0.00 0.01 0.00 0.00 42.46 37.78 2cup s ILE 76 CO 0.45 0.45 0.11 -0.69 0.00 0.00 0.00 174.94 175.26 2cup s VAL 77 N -0.54 4.91 0.09 2.92 1.01 -1.26 -4.54 120.40 122.98 2cup s VAL 77 Ca 0.34 -0.34 -0.34 0.00 0.00 0.00 0.00 61.98 61.64 2cup s VAL 77 Cb -0.20 -3.26 -0.15 0.00 0.00 0.00 0.00 36.38 32.77 2cup s VAL 77 CO 0.21 0.35 1.58 0.00 0.00 0.00 0.00 175.10 177.25 2cup h ALA 78 N 4.04 -0.99 -0.93 5.51 0.00 -2.01 -2.52 119.26 122.38 2cup h ALA 78 Ca -0.49 -0.16 0.19 0.00 0.00 0.00 0.00 54.91 54.45 2cup h ALA 78 Cb 1.18 0.65 -0.11 0.00 0.00 0.00 0.00 17.79 19.52 2cup h ALA 78 CO 0.64 -1.09 0.50 0.78 0.00 0.00 0.00 179.25 180.07 2cup h GLY 79 N -0.90 1.60 -6.23 0.00 0.00 -2.05 -3.39 103.07 92.11 2cup h GLY 79 Ca -0.04 -0.28 -0.57 0.00 0.00 0.00 0.00 47.33 46.44 2cup h GLY 79 CO -0.07 -0.11 1.17 0.99 0.00 0.00 0.00 176.54 178.51 2cup s ASP 80 N -5.35 6.26 0.15 0.19 1.01 -0.95 -4.93 116.67 113.06 2cup s ASP 80 Ca -0.12 1.59 -0.34 0.00 0.71 0.00 0.00 52.55 54.39 2cup s ASP 80 Cb 0.24 -2.53 -0.15 0.00 1.01 0.00 0.00 42.92 41.49 2cup s ASP 80 CO 0.79 -1.36 1.40 0.00 0.21 0.00 0.00 175.17 176.21 2cup n GLN 81 N 7.84 1.60 -4.38 8.23 3.00 -1.26 -4.64 117.38 127.77 2cup n GLN 81 Ca 0.20 0.58 -0.19 0.00 -0.01 0.00 0.00 57.00 57.57 2cup n GLN 81 Cb 0.45 -2.24 -0.10 0.00 0.00 0.00 0.00 30.24 28.35 2cup n GLN 81 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.06 177.60 2cup s ASN 82 N 0.50 1.91 -0.25 1.08 2.20 -1.26 -2.40 114.94 116.72 2cup s ASN 82 Ca 0.78 -1.34 0.01 0.00 -0.94 0.00 0.00 52.86 51.37 2cup s ASN 82 Cb -0.80 0.01 0.07 0.00 -2.00 0.00 0.00 41.25 38.52 2cup s ASN 82 CO 0.45 -0.62 -0.03 -0.69 -2.94 0.00 0.00 177.10 173.27 2cup s VAL 83 N -3.46 1.53 -0.22 3.54 1.01 0.20 -4.69 120.40 118.31 2cup s VAL 83 Ca 0.35 -1.32 -0.15 0.00 0.00 0.00 0.00 61.98 60.86 2cup s VAL 83 Cb 0.08 -1.85 -0.04 0.00 0.00 0.00 0.00 36.38 34.57 2cup s VAL 83 CO 0.14 -0.19 0.38 -0.70 0.00 0.00 0.00 175.10 174.73 2cup s GLU 84 N 1.38 4.13 -0.23 2.72 2.12 -1.26 0.16 118.70 127.72 2cup s GLU 84 Ca -0.03 0.14 -0.04 0.00 0.36 0.00 0.00 54.97 55.41 2cup s GLU 84 Cb -0.19 -3.56 0.10 0.00 0.26 0.00 0.00 34.13 30.73 2cup s GLU 84 CO -0.08 -0.09 0.20 -0.47 -0.54 0.00 0.00 175.26 174.28 2cup s TYR 85 N 1.48 -0.14 -0.81 5.30 5.04 0.68 -4.91 117.35 123.98 2cup s TYR 85 Ca 0.18 -0.10 -0.02 0.00 -2.44 0.00 0.00 57.07 54.68 2cup s TYR 85 Cb -0.15 -0.52 -0.02 0.00 0.35 0.00 0.00 41.96 41.62 2cup s TYR 85 CO 0.08 -0.68 0.69 1.63 -1.34 0.00 0.00 175.55 175.93 2cup n LYS 86 N 5.30 -3.42 0.00 4.97 5.02 -1.26 -3.29 118.16 125.48 2cup n LYS 86 Ca -0.05 0.61 0.00 0.00 -2.02 0.00 0.00 58.31 56.85 2cup n LYS 86 Cb 0.48 -4.77 0.00 0.00 -0.02 0.00 0.00 35.03 30.72 2cup n LYS 86 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2cup n GLY 87 N -1.18 1.42 3.69 0.72 0.00 -1.26 -4.92 105.19 103.66 2cup n GLY 87 Ca -0.14 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.45 2cup n GLY 87 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2cup s THR 88 N 0.00 4.67 -0.20 2.61 -4.23 -1.21 -5.02 115.64 112.25 2cup s THR 88 Ca 0.00 1.94 -0.03 0.00 -1.18 0.00 0.00 61.69 62.43 2cup s THR 88 Cb 0.00 -4.25 -0.00 0.00 1.34 0.00 0.00 72.50 69.59 2cup s THR 88 CO 0.00 0.02 -0.08 0.54 -0.54 0.00 0.00 174.62 174.55 2cup s VAL 89 N 1.96 3.08 -0.05 2.29 0.11 -1.26 -0.23 120.40 126.30 2cup s VAL 89 Ca 0.50 -0.60 -0.03 0.00 -2.93 0.00 0.00 61.98 58.92 2cup s VAL 89 Cb -0.20 -2.37 -0.04 0.00 -1.53 0.00 0.00 36.38 32.24 2cup s VAL 89 CO 0.20 0.46 0.14 0.26 -3.33 0.00 0.00 175.10 172.82 2cup s TRP 90 N 1.33 3.49 0.40 1.54 0.52 0.42 -4.29 118.94 122.36 2cup s TRP 90 Ca 0.04 0.37 -0.25 0.00 0.02 0.00 0.00 56.10 56.29 2cup s TRP 90 Cb -0.14 -1.84 -0.11 0.00 -1.15 0.00 0.00 33.47 30.23 2cup s TRP 90 CO -0.04 0.65 0.99 0.72 0.02 0.00 0.00 176.95 179.28 2cup n HIS 91 N 1.36 1.12 -0.37 -1.98 8.25 -1.26 0.59 115.22 122.93 2cup n HIS 91 Ca -0.14 0.58 0.38 0.00 -0.26 0.00 0.00 57.72 58.27 2cup n HIS 91 Cb 0.53 -2.22 0.71 0.00 1.12 0.00 0.00 29.99 30.13 2cup n HIS 91 CO 0.00 0.00 0.00 -0.22 0.64 0.00 0.00 176.34 176.76 2cup h LYS 92 N 1.57 0.00 0.03 -0.41 1.63 -1.75 0.25 116.57 117.90 2cup h LYS 92 Ca -0.44 0.00 -0.23 0.00 -0.85 0.00 0.00 60.65 59.13 2cup h LYS 92 Cb 1.34 0.00 -0.02 0.00 -0.60 0.00 0.00 32.23 32.95 2cup h LYS 92 CO 0.57 0.00 -1.23 0.22 -3.45 0.00 0.00 179.45 175.56 2cup h ASP 93 N 0.00 0.10 -0.81 4.20 3.58 -1.86 -3.37 116.42 118.26 2cup h ASP 93 Ca 0.63 -0.66 0.09 0.00 0.42 0.00 0.00 57.03 57.50 2cup h ASP 93 Cb 2.74 -0.03 -0.07 0.00 1.72 0.00 0.00 39.33 43.69 2cup h ASP 93 CO -0.01 1.50 0.46 0.00 -2.88 0.00 0.00 179.24 178.32 2cup s PHE 95 N -6.04 2.00 -0.95 0.00 2.19 0.59 -4.92 117.98 110.85 2cup s PHE 95 Ca -0.12 0.63 -0.10 0.00 0.33 0.00 0.00 56.93 57.67 2cup s PHE 95 Cb 0.19 -4.18 0.24 0.00 -1.31 0.00 0.00 43.02 37.96 2cup s PHE 95 CO 0.78 -2.66 0.90 0.45 1.83 0.00 0.00 175.22 176.52 2cup s SER 96 N 5.31 6.82 0.00 6.13 0.15 -1.26 -4.84 113.70 126.01 2cup s SER 96 Ca 0.74 -3.23 0.00 0.00 0.70 0.00 0.00 55.95 54.15 2cup s SER 96 Cb -0.20 -2.15 0.00 0.00 -1.71 0.00 0.00 66.02 61.96 2cup s SER 96 CO 0.33 -0.38 0.00 0.61 1.20 0.00 0.00 173.24 175.00 2cup n GLY 97 N 3.17 0.64 3.70 9.45 0.00 -1.26 -5.07 105.19 115.83 2cup n GLY 97 Ca 0.19 -0.01 -0.42 0.00 0.00 0.00 0.00 46.02 45.78 2cup n GLY 97 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2cup s PRO 98 N 0.09 4.31 -0.13 1.61 0.04 -1.26 -4.91 135.00 134.75 2cup s PRO 98 Ca 0.00 2.03 -0.05 0.00 0.04 0.00 0.00 61.00 63.02 2cup s PRO 98 Cb 0.00 -3.40 -0.15 0.00 0.04 0.00 0.00 34.50 30.99 2cup s PRO 98 CO 0.00 -0.50 3.27 -1.13 0.04 0.00 0.00 177.00 178.68 2cup n SER 99 N 4.58 5.60 -0.13 6.66 3.41 -1.26 -4.11 113.62 128.37 2cup n SER 99 Ca 0.12 -2.68 -0.23 0.00 -0.26 0.00 0.00 58.87 55.82 2cup n SER 99 Cb 0.43 -1.34 -0.11 0.00 -0.26 0.00 0.00 64.21 62.93 2cup n SER 99 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 2cup n SER 100 N 1.96 1.97 0.00 4.04 7.64 -1.26 -5.32 113.62 122.65 2cup n SER 100 Ca 0.42 0.10 0.00 0.00 1.01 0.00 0.00 58.87 60.39 2cup n SER 100 Cb 0.79 -0.60 0.00 0.00 -1.01 0.00 0.00 64.21 63.39 2cup n SER 100 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64