#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 -0.84 -1.09 1.61 1.04 -1.26 -5.08 113.70 108.08 2cup s SER 2 Ca 0.00 1.33 -0.23 0.00 0.48 0.00 0.00 55.95 57.53 2cup s SER 2 Cb 0.00 1.39 -0.05 0.00 0.10 0.00 0.00 66.02 67.46 2cup s SER 2 CO 0.00 -0.21 1.89 -0.55 0.98 0.00 0.00 173.24 175.35 2cup s SER 3 N 1.63 5.32 0.34 7.02 0.15 -1.26 -4.93 113.70 121.97 2cup s SER 3 Ca -0.09 -1.40 -0.29 0.00 0.70 0.00 0.00 55.95 54.86 2cup s SER 3 Cb -0.05 -2.58 -0.11 0.00 -1.71 0.00 0.00 66.02 61.57 2cup s SER 3 CO -0.19 -2.70 1.55 0.61 1.20 0.00 0.00 173.24 173.71 2cup n GLY 4 N 6.17 1.30 0.32 9.45 0.00 -1.26 -4.85 105.19 116.32 2cup n GLY 4 Ca 0.43 0.39 0.12 0.00 0.00 0.00 0.00 46.02 46.96 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 1.35 -0.15 -3.98 1.61 3.41 -1.26 -3.97 113.62 110.63 2cup n SER 5 Ca 0.05 1.56 -0.29 0.00 -0.26 0.00 0.00 58.87 59.94 2cup n SER 5 Cb 0.38 -0.55 -0.17 0.00 -0.26 0.00 0.00 64.21 63.61 2cup n SER 5 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 2cup s SER 6 N -5.05 2.47 0.41 4.04 1.04 -1.26 -5.13 113.70 110.21 2cup s SER 6 Ca -0.12 -0.41 0.04 0.00 0.48 0.00 0.00 55.95 55.93 2cup s SER 6 Cb 0.27 -1.05 -0.05 0.00 0.10 0.00 0.00 66.02 65.29 2cup s SER 6 CO 0.72 -0.07 0.04 -0.83 0.98 0.00 0.00 173.24 174.08 2cup s GLY 7 N 1.49 2.53 0.29 7.32 0.00 -1.25 -2.15 107.32 115.54 2cup s GLY 7 Ca 0.03 -1.58 -0.10 0.00 0.00 0.00 0.00 44.72 43.08 2cup s GLY 7 CO -0.09 -1.99 0.63 0.00 0.00 0.00 0.00 173.10 171.65 2cup n VAL 9 N -0.54 0.07 -0.09 0.00 3.14 -0.49 -2.87 118.33 117.55 2cup n VAL 9 Ca 0.01 -0.19 -0.12 0.00 -2.96 0.00 0.00 64.34 61.09 2cup n VAL 9 Cb 0.53 0.45 -0.05 0.00 -1.06 0.00 0.00 33.84 33.72 2cup n VAL 9 CO 0.00 0.00 0.00 -0.62 -6.46 0.00 0.00 176.83 169.75 2cup n GLU 10 N -1.82 0.51 -0.54 1.45 -0.58 -1.26 -4.45 120.64 113.94 2cup n GLU 10 Ca 0.02 0.42 0.08 0.00 -0.42 0.00 0.00 57.16 57.26 2cup n GLU 10 Cb 0.42 -1.61 0.32 0.00 -0.57 0.00 0.00 31.44 29.99 2cup n GLU 10 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2cup n ARG 12 N 0.97 -0.87 -4.37 0.00 0.00 -1.14 -4.86 116.66 106.39 2cup n ARG 12 Ca 0.23 0.07 -0.25 0.00 -0.00 0.00 0.00 57.85 57.90 2cup n ARG 12 Cb 0.80 -2.54 -0.09 0.00 -0.00 0.00 0.00 32.46 30.62 2cup n ARG 12 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.63 177.78 2cup s LYS 13 N -4.84 1.92 0.22 2.89 -0.14 -1.25 -4.81 119.74 113.73 2cup s LYS 13 Ca 0.36 -1.53 -0.30 0.00 -1.36 0.00 0.00 55.97 53.14 2cup s LYS 13 Cb -0.21 -1.98 -0.09 0.00 -1.68 0.00 0.00 37.83 33.87 2cup s LYS 13 CO 0.59 0.37 1.29 -1.25 -0.76 0.00 0.00 175.35 175.59 2cup s PRO 14 N -3.30 4.41 0.13 -1.68 0.04 -1.26 0.26 135.00 133.59 2cup s PRO 14 Ca 0.28 2.05 0.04 0.00 0.04 0.00 0.00 61.00 63.41 2cup s PRO 14 Cb -0.07 -3.18 -0.04 0.00 0.04 0.00 0.00 34.50 31.25 2cup s PRO 14 CO 0.16 -0.21 0.16 0.42 0.04 0.00 0.00 177.00 177.57 2cup s ILE 15 N -0.13 4.73 0.03 0.56 1.01 -0.91 -4.87 121.20 121.62 2cup s ILE 15 Ca 0.55 -0.88 0.03 0.00 0.00 0.00 0.00 60.65 60.35 2cup s ILE 15 Cb -0.36 -3.38 -0.04 0.00 0.01 0.00 0.00 42.46 38.69 2cup s ILE 15 CO 0.40 -0.03 -0.02 -0.83 0.00 0.00 0.00 174.94 174.47 2cup s GLY 16 N -2.90 1.86 0.16 6.18 0.00 -1.26 -4.82 107.32 106.53 2cup s GLY 16 Ca 0.32 -1.03 -0.17 0.00 0.00 0.00 0.00 44.72 43.84 2cup s GLY 16 CO 0.24 -0.93 1.69 0.00 0.00 0.00 0.00 173.10 174.10 2cup h ALA 17 N 4.06 0.30 -0.61 3.20 0.00 -1.99 -0.34 119.26 123.88 2cup h ALA 17 Ca -0.48 0.12 0.11 0.00 0.00 0.00 0.00 54.91 54.66 2cup h ALA 17 Cb 1.17 0.22 -0.04 0.00 0.00 0.00 0.00 17.79 19.14 2cup h ALA 17 CO 0.57 -0.42 0.41 0.38 0.00 0.00 0.00 179.25 180.19 2cup h ASP 18 N 0.06 0.34 -3.90 0.00 2.03 -2.06 -3.42 116.42 109.47 2cup h ASP 18 Ca 0.18 0.01 -0.50 0.00 -0.73 0.00 0.00 57.03 55.99 2cup h ASP 18 Cb 0.26 -0.06 0.03 0.00 -0.83 0.00 0.00 39.33 38.73 2cup h ASP 18 CO -0.33 0.20 0.47 -0.55 -1.03 0.00 0.00 179.24 177.99 2cup s SER 19 N -6.21 6.86 -0.54 4.15 0.15 -0.14 -4.95 113.70 113.01 2cup s SER 19 Ca -0.07 2.22 -0.28 0.00 0.70 0.00 0.00 55.95 58.52 2cup s SER 19 Cb 0.20 -2.61 0.00 0.00 -1.71 0.00 0.00 66.02 61.90 2cup s SER 19 CO 0.75 -0.43 1.57 -0.54 1.20 0.00 0.00 173.24 175.79 2cup s LYS 20 N -2.06 3.15 0.03 5.44 1.02 -1.26 -4.78 119.74 121.28 2cup s LYS 20 Ca 0.53 0.62 0.00 0.00 0.02 0.00 0.00 55.97 57.14 2cup s LYS 20 Cb -0.28 -4.20 -0.04 0.00 -0.52 0.00 0.00 37.83 32.79 2cup s LYS 20 CO 0.36 -2.11 0.13 -1.83 -0.92 0.00 0.00 175.35 170.98 2cup s GLU 21 N 5.88 3.16 -0.33 1.68 1.03 -1.26 -1.75 118.70 127.12 2cup s GLU 21 Ca 0.59 -0.51 0.01 0.00 0.03 0.00 0.00 54.97 55.10 2cup s GLU 21 Cb -0.13 -2.90 0.08 0.00 -0.80 0.00 0.00 34.13 30.38 2cup s GLU 21 CO 0.25 0.62 0.04 0.08 -1.33 0.00 0.00 175.26 174.92 2cup s VAL 22 N -1.34 2.60 -0.36 1.83 1.01 -0.86 -4.97 120.40 118.31 2cup s VAL 22 Ca 0.28 -1.96 -0.22 0.00 0.00 0.00 0.00 61.98 60.08 2cup s VAL 22 Cb -0.12 -2.72 0.01 0.00 0.00 0.00 0.00 36.38 33.54 2cup s VAL 22 CO 0.20 -0.40 0.73 -2.28 0.00 0.00 0.00 175.10 173.34 2cup s HIS 23 N 1.06 3.13 -0.16 5.22 5.04 -1.26 -2.16 115.29 126.16 2cup s HIS 23 Ca 0.03 0.47 -0.16 0.00 -1.54 0.00 0.00 55.06 53.86 2cup s HIS 23 Cb -0.20 -3.30 0.04 0.00 0.04 0.00 0.00 32.58 29.16 2cup s HIS 23 CO -0.05 -0.70 0.46 -0.47 -2.34 0.00 0.00 174.74 171.64 2cup s TYR 24 N 2.95 -0.49 -1.48 3.88 5.04 -0.74 -4.92 117.35 121.59 2cup s TYR 24 Ca 0.29 1.18 -0.10 0.00 -2.44 0.00 0.00 57.07 55.99 2cup s TYR 24 Cb -0.14 0.17 0.06 0.00 0.35 0.00 0.00 41.96 42.41 2cup s TYR 24 CO 0.16 -0.26 0.92 1.63 -1.34 0.00 0.00 175.55 176.66 2cup n LYS 25 N 2.69 -5.40 -2.19 4.97 5.02 -1.26 -0.27 118.16 121.72 2cup n LYS 25 Ca -0.14 0.60 -0.21 0.00 -2.02 0.00 0.00 58.31 56.55 2cup n LYS 25 Cb 0.57 -5.41 -0.03 0.00 -0.02 0.00 0.00 35.03 30.14 2cup n LYS 25 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 2cup n ASN 26 N -2.89 -5.76 -3.87 4.39 4.13 -1.26 -4.96 115.26 105.04 2cup n ASN 26 Ca -0.04 0.12 -0.25 0.00 1.68 0.00 0.00 54.58 56.10 2cup n ASN 26 Cb 0.56 -4.87 -0.07 0.00 -1.54 0.00 0.00 39.78 33.87 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 -2.84 0.65 -3.67 3.52 5.12 0.63 -5.13 116.66 114.94 2cup n ARG 27 Ca -0.24 -3.27 -0.08 0.00 -1.93 0.00 0.00 57.85 52.33 2cup n ARG 27 Cb 0.68 1.60 -0.09 0.00 -1.16 0.00 0.00 32.46 33.50 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 -2.93 -0.85 -0.03 -1.55 0.40 -1.26 -1.79 117.98 109.97 2cup s PHE 28 Ca 0.16 1.64 0.07 0.00 -0.60 0.00 0.00 56.93 58.20 2cup s PHE 28 Cb 0.01 0.40 -0.02 0.00 0.51 0.00 0.00 43.02 43.92 2cup s PHE 28 CO 0.11 -0.47 -0.25 -1.58 0.70 0.00 0.00 175.22 173.73 2cup s TRP 29 N 2.16 2.38 0.96 0.36 0.51 -0.92 -1.40 118.94 122.99 2cup s TRP 29 Ca -0.06 -0.43 -0.11 0.00 -2.12 0.00 0.00 56.10 53.39 2cup s TRP 29 Cb -0.10 -1.52 0.17 0.00 -0.81 0.00 0.00 33.47 31.21 2cup s TRP 29 CO -0.15 -0.03 1.12 -1.01 -0.51 0.00 0.00 176.95 176.38 2cup s HIS 30 N -0.59 1.59 -0.56 -1.98 3.76 -1.26 -2.02 115.29 114.23 2cup s HIS 30 Ca 0.09 1.67 0.13 0.00 -0.15 0.00 0.00 55.06 56.80 2cup s HIS 30 Cb -0.10 -3.29 0.68 0.00 1.11 0.00 0.00 32.58 30.97 2cup s HIS 30 CO -0.00 -2.99 1.39 -0.40 -0.85 0.00 0.00 174.74 171.88 2cup n ASP 31 N -4.35 0.32 -0.00 1.40 5.75 -0.71 -1.02 116.55 117.93 2cup n ASP 31 Ca 0.10 0.64 0.03 0.00 -0.01 0.00 0.00 54.79 55.56 2cup n ASP 31 Cb 0.52 -0.69 -0.05 0.00 -1.03 0.00 0.00 41.12 39.88 2cup n ASP 31 CO 0.00 0.00 0.00 0.35 -0.11 0.00 0.00 177.20 177.44 2cup n THR 32 N -1.93 0.00 0.06 2.12 -2.24 -1.26 -4.63 114.28 106.40 2cup n THR 32 Ca -0.01 -0.21 -0.21 0.00 -2.27 0.00 0.00 64.05 61.35 2cup n THR 32 Cb 0.03 0.56 -0.15 0.00 -2.10 0.00 0.00 70.33 68.67 2cup n THR 32 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2cup s PHE 34 N -2.59 1.64 0.33 0.00 5.36 -0.19 -4.86 117.98 117.66 2cup s PHE 34 Ca -0.14 0.82 -0.16 0.00 -0.96 0.00 0.00 56.93 56.49 2cup s PHE 34 Cb 0.06 -4.07 0.03 0.00 -0.34 0.00 0.00 43.02 38.71 2cup s PHE 34 CO 0.85 -2.34 0.70 -0.98 -1.46 0.00 0.00 175.22 171.98 2cup s ARG 35 N 7.04 1.97 1.07 10.12 1.70 -1.26 -3.67 118.95 135.92 2cup s ARG 35 Ca 0.69 -1.28 -0.13 0.00 -0.47 0.00 0.00 55.73 54.54 2cup s ARG 35 Cb -0.13 0.59 0.23 0.00 -0.57 0.00 0.00 34.95 35.07 2cup s ARG 35 CO 0.21 -0.90 1.06 0.00 -1.08 0.00 0.00 175.30 174.60 2cup n ALA 37 N -4.51 2.80 -0.13 0.00 0.00 -1.14 -3.59 120.51 113.94 2cup n ALA 37 Ca 0.04 -0.23 -0.26 0.00 0.00 0.00 0.00 53.44 52.98 2cup n ALA 37 Cb 0.56 -0.32 -0.10 0.00 0.00 0.00 0.00 19.45 19.60 2cup n ALA 37 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 2cup n LYS 38 N -1.46 0.58 -0.01 0.00 4.81 -1.26 -4.62 118.16 116.19 2cup n LYS 38 Ca 0.00 0.31 0.10 0.00 -0.87 0.00 0.00 58.31 57.86 2cup n LYS 38 Cb 0.18 -1.53 -0.14 0.00 0.02 0.00 0.00 35.03 33.56 2cup n LYS 38 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 2cup n LEU 40 N -1.89 -4.04 -4.28 0.00 4.77 -1.24 -4.97 117.00 105.35 2cup n LEU 40 Ca -0.00 -0.49 -0.32 0.00 -0.03 0.00 0.00 56.01 55.17 2cup n LEU 40 Cb 0.44 -2.47 -0.16 0.00 -2.33 0.00 0.00 43.42 38.90 2cup n LEU 40 CO 0.42 0.19 -0.55 -2.28 -1.33 0.00 0.00 177.39 173.84 2cup s HIS 41 N -3.28 2.50 0.06 -1.77 2.46 -1.26 -4.68 115.29 109.33 2cup s HIS 41 Ca 0.15 -0.74 -0.31 0.00 0.47 0.00 0.00 55.06 54.63 2cup s HIS 41 Cb -0.02 -1.64 -0.07 0.00 -0.13 0.00 0.00 32.58 30.72 2cup s HIS 41 CO 0.54 -0.23 1.40 -1.25 -2.47 0.00 0.00 174.74 172.73 2cup s PRO 42 N -0.07 4.30 -0.20 2.88 0.04 -1.26 0.54 135.00 141.23 2cup s PRO 42 Ca -0.06 2.03 0.15 0.00 0.04 0.00 0.00 61.00 63.16 2cup s PRO 42 Cb -0.14 -3.41 0.78 0.00 0.04 0.00 0.00 34.50 31.76 2cup s PRO 42 CO 0.05 -0.50 1.69 1.28 0.04 0.00 0.00 177.00 179.55 2cup n LEU 43 N 4.64 5.37 -0.02 -3.56 7.99 -1.24 -4.57 117.00 125.61 2cup n LEU 43 Ca 0.12 -2.72 -0.12 0.00 -0.01 0.00 0.00 56.01 53.28 2cup n LEU 43 Cb 0.43 -0.65 -0.08 0.00 -0.11 0.00 0.00 43.42 43.01 2cup n LEU 43 CO 0.59 0.67 0.50 0.00 -1.51 0.00 0.00 177.39 177.64 2cup h ALA 44 N 4.02 -0.78 0.00 -1.18 0.00 -1.91 -2.56 119.26 116.85 2cup h ALA 44 Ca 0.00 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.87 2cup h ALA 44 Cb 1.80 0.93 0.00 0.00 0.00 0.00 0.00 17.79 20.53 2cup h ALA 44 CO 0.41 -0.94 -0.69 -2.95 0.00 0.00 0.00 179.25 175.08 2cup h ASN 45 N -0.43 0.00 -6.23 0.00 7.08 -2.00 -3.47 115.58 110.53 2cup h ASN 45 Ca 0.03 -0.22 -0.45 0.00 -3.08 0.00 0.00 56.30 52.57 2cup h ASN 45 Cb 0.52 0.00 0.04 0.00 -2.08 0.00 0.00 38.32 36.80 2cup h ASN 45 CO -0.36 0.11 -0.03 -0.62 -2.08 0.00 0.00 177.43 174.45 2cup n GLU 46 N -2.12 0.49 -3.48 4.14 -0.58 -0.96 -5.11 120.64 113.01 2cup n GLU 46 Ca 0.03 -2.86 -0.31 0.00 -0.42 0.00 0.00 57.16 53.60 2cup n GLU 46 Cb 0.44 -0.31 -0.05 0.00 -0.57 0.00 0.00 31.44 30.96 2cup n GLU 46 CO 0.00 0.00 0.00 0.99 -0.48 0.00 0.00 177.13 177.64 2cup s THR 47 N -2.48 5.03 0.14 2.62 2.01 -1.26 -4.77 115.64 116.93 2cup s THR 47 Ca 0.58 0.22 0.02 0.00 0.31 0.00 0.00 61.69 62.83 2cup s THR 47 Cb -0.04 -3.65 -0.04 0.00 0.01 0.00 0.00 72.50 68.77 2cup s THR 47 CO 0.37 -0.10 -0.04 0.72 -0.69 0.00 0.00 174.62 174.88 2cup s PHE 48 N -1.83 1.11 -0.03 4.92 -0.71 -1.26 -4.38 117.98 115.80 2cup s PHE 48 Ca 0.44 -0.93 0.02 0.00 -1.04 0.00 0.00 56.93 55.42 2cup s PHE 48 Cb -0.11 -0.62 0.01 0.00 -1.21 0.00 0.00 43.02 41.08 2cup s PHE 48 CO 0.24 -0.13 -0.07 0.08 -1.34 0.00 0.00 175.22 174.01 2cup s VAL 49 N -3.58 0.62 -0.36 -2.49 1.01 0.01 -4.96 120.40 110.65 2cup s VAL 49 Ca 0.18 -0.24 -0.11 0.00 0.00 0.00 0.00 61.98 61.82 2cup s VAL 49 Cb 0.05 -0.58 0.02 0.00 0.00 0.00 0.00 36.38 35.87 2cup s VAL 49 CO 0.00 0.21 0.19 0.00 0.00 0.00 0.00 175.10 175.51 2cup s ALA 50 N 0.43 3.27 0.02 5.51 0.00 -1.26 -1.87 121.76 127.86 2cup s ALA 50 Ca -0.06 -1.66 0.00 0.00 0.00 0.00 0.00 51.96 50.25 2cup s ALA 50 Cb -0.10 -2.54 -0.02 0.00 0.00 0.00 0.00 23.12 20.46 2cup s ALA 50 CO 0.00 -1.29 -0.03 0.15 0.00 0.00 0.00 175.76 174.59 2cup s LYS 51 N 1.56 0.31 -1.71 0.00 1.02 -0.80 -4.85 119.74 115.26 2cup s LYS 51 Ca 0.02 -0.53 -0.16 0.00 0.02 0.00 0.00 55.97 55.31 2cup s LYS 51 Cb -0.19 0.01 0.15 0.00 -0.52 0.00 0.00 37.83 37.29 2cup s LYS 51 CO 0.06 -0.02 0.63 -0.25 -0.92 0.00 0.00 175.35 174.85 2cup n ASP 52 N 1.83 -2.22 -3.93 2.83 8.00 -1.26 0.49 116.55 122.29 2cup n ASP 52 Ca -0.22 -1.10 -0.29 0.00 0.71 0.00 0.00 54.79 53.89 2cup n ASP 52 Cb 0.56 -2.38 0.02 0.00 -0.02 0.00 0.00 41.12 39.30 2cup n ASP 52 CO 0.00 0.00 0.00 -3.20 -0.39 0.00 0.00 177.20 173.61 2cup n ASN 53 N -2.66 -3.78 -3.84 -2.24 5.15 -1.26 -4.97 115.26 101.66 2cup n ASN 53 Ca 0.01 -0.83 -0.12 0.00 -0.60 0.00 0.00 54.58 53.04 2cup n ASN 53 Cb 0.52 -3.71 -0.11 0.00 -0.53 0.00 0.00 39.78 35.95 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 -6.57 0.34 -0.17 1.20 1.02 0.18 -5.14 119.74 110.60 2cup s LYS 54 Ca 0.53 -0.09 -0.18 0.00 0.02 0.00 0.00 55.97 56.25 2cup s LYS 54 Cb -0.27 0.15 -0.04 0.00 -0.52 0.00 0.00 37.83 37.15 2cup s LYS 54 CO 0.84 -0.07 0.48 0.42 -0.92 0.00 0.00 175.35 176.11 2cup s ILE 55 N -0.66 5.16 0.06 2.17 -1.09 -1.26 -1.90 121.20 123.68 2cup s ILE 55 Ca -0.07 0.91 -0.03 0.00 -2.23 0.00 0.00 60.65 59.23 2cup s ILE 55 Cb -0.04 -3.81 -0.03 0.00 -1.58 0.00 0.00 42.46 36.99 2cup s ILE 55 CO 0.01 0.25 0.02 -0.76 -1.23 0.00 0.00 174.94 173.23 2cup s LEU 56 N 1.16 2.24 0.19 2.97 1.43 -0.78 -2.87 118.68 123.01 2cup s LEU 56 Ca 0.24 -0.93 0.05 0.00 -1.03 0.00 0.00 54.13 52.46 2cup s LEU 56 Cb -0.15 0.38 -0.04 0.00 0.03 0.00 0.00 46.19 46.42 2cup s LEU 56 CO 0.10 -0.63 0.19 0.00 0.23 0.00 0.00 176.35 176.24 2cup h ASN 58 N 2.06 -1.36 -0.99 0.00 7.08 -1.93 0.19 115.58 120.63 2cup h ASN 58 Ca -0.48 0.21 0.37 0.00 -3.08 0.00 0.00 56.30 53.31 2cup h ASN 58 Cb 1.21 0.59 -0.18 0.00 -2.08 0.00 0.00 38.32 37.87 2cup h ASN 58 CO 0.63 -0.37 0.42 0.11 -2.08 0.00 0.00 177.43 176.14 2cup h LYS 59 N -0.34 0.05 0.05 4.14 1.79 -1.95 0.14 116.57 120.45 2cup h LYS 59 Ca 0.13 -0.00 -0.00 0.00 -2.18 0.00 0.00 60.65 58.60 2cup h LYS 59 Cb 0.58 -0.01 0.00 0.00 -1.58 0.00 0.00 32.23 31.22 2cup h LYS 59 CO -0.54 0.03 -0.03 0.00 -1.08 0.00 0.00 179.45 177.84 2cup h THR 61 N -0.79 0.05 -3.52 0.00 1.35 0.15 -3.35 112.91 106.80 2cup h THR 61 Ca -0.01 0.00 -0.61 0.00 -0.55 0.00 0.00 66.41 65.24 2cup h THR 61 Cb 0.05 0.12 -0.11 0.00 -1.73 0.00 0.00 68.15 66.48 2cup h THR 61 CO 0.01 0.00 0.39 -0.89 -0.25 0.00 0.00 175.52 174.78 2cup s THR 62 N -4.36 4.73 0.20 6.82 2.01 0.41 -5.01 115.64 120.44 2cup s THR 62 Ca -0.02 0.92 -0.13 0.00 0.31 0.00 0.00 61.69 62.76 2cup s THR 62 Cb 0.11 -4.21 0.01 0.00 0.01 0.00 0.00 72.50 68.42 2cup s THR 62 CO 0.38 -0.42 0.42 -0.60 -0.69 0.00 0.00 174.62 173.71 2cup s ARG 63 N 3.10 1.34 0.66 4.92 3.52 -1.26 -4.93 118.95 126.30 2cup s ARG 63 Ca 0.32 -1.08 -0.15 0.00 -0.13 0.00 0.00 55.73 54.69 2cup s ARG 63 Cb -0.13 0.45 0.00 0.00 -1.56 0.00 0.00 34.95 33.71 2cup s ARG 63 CO 0.17 -0.54 1.11 -1.21 -0.81 0.00 0.00 175.30 174.02 2cup s GLU 64 N -3.95 2.78 -1.20 5.12 0.41 -1.26 -4.89 118.70 115.71 2cup s GLU 64 Ca 0.15 1.40 -0.16 0.00 -0.41 0.00 0.00 54.97 55.96 2cup s GLU 64 Cb 0.01 -1.95 -0.04 0.00 -1.78 0.00 0.00 34.13 30.37 2cup s GLU 64 CO 0.01 -1.27 2.17 -3.47 -0.49 0.00 0.00 175.26 172.21 2cup n ASP 65 N -2.43 3.80 -4.89 -0.19 2.03 -1.26 -4.93 116.55 108.67 2cup n ASP 65 Ca 0.10 -2.74 -0.29 0.00 0.52 0.00 0.00 54.79 52.39 2cup n ASP 65 Cb 0.52 -1.43 -0.00 0.00 -0.72 0.00 0.00 41.12 39.49 2cup n ASP 65 CO 0.00 0.00 0.00 -0.44 -1.92 0.00 0.00 177.20 174.84 2cup s SER 66 N 3.77 6.27 0.60 1.67 0.01 -1.26 -5.06 113.70 119.71 2cup s SER 66 Ca 0.52 1.08 -0.17 0.00 1.31 0.00 0.00 55.95 58.68 2cup s SER 66 Cb 0.14 -2.31 -0.03 0.00 0.21 0.00 0.00 66.02 64.03 2cup s SER 66 CO -0.01 -0.65 1.12 -2.16 0.41 0.00 0.00 173.24 171.95 2cup s PRO 67 N -4.80 3.07 -0.03 12.44 0.04 -1.26 -4.94 135.00 139.52 2cup s PRO 67 Ca 0.50 1.49 0.00 0.00 0.04 0.00 0.00 61.00 63.03 2cup s PRO 67 Cb -0.10 -1.98 0.03 0.00 0.04 0.00 0.00 34.50 32.48 2cup s PRO 67 CO 0.46 -1.05 0.01 0.15 0.04 0.00 0.00 177.00 176.61 2cup s LYS 68 N -3.71 0.23 0.96 4.56 1.02 -1.26 -1.21 119.74 120.33 2cup s LYS 68 Ca 0.70 0.09 -0.11 0.00 0.02 0.00 0.00 55.97 56.66 2cup s LYS 68 Cb -0.22 -0.43 0.17 0.00 -0.52 0.00 0.00 37.83 36.83 2cup s LYS 68 CO 0.34 -0.13 1.09 0.00 -0.92 0.00 0.00 175.35 175.73 2cup n LYS 70 N -4.25 2.17 -0.04 0.00 0.00 -1.26 -3.27 118.16 111.51 2cup n LYS 70 Ca 0.08 -0.02 -0.16 0.00 0.00 0.00 0.00 58.31 58.21 2cup n LYS 70 Cb 0.54 -1.23 -0.07 0.00 0.00 0.00 0.00 35.03 34.27 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 1.75 0.67 0.00 3.14 0.00 -1.94 -3.37 103.07 103.32 2cup h GLY 71 Ca -0.20 -0.87 -0.07 0.00 0.00 0.00 0.00 47.33 46.19 2cup h GLY 71 CO 0.01 0.78 -1.54 0.00 0.00 0.00 0.00 176.54 175.78 2cup n PHE 73 N -2.05 -1.07 -4.32 0.00 7.35 -1.20 -5.04 117.46 111.12 2cup n PHE 73 Ca -0.07 0.40 -0.28 0.00 -0.76 0.00 0.00 57.45 56.74 2cup n PHE 73 Cb 0.48 -2.89 -0.11 0.00 0.35 0.00 0.00 39.48 37.31 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 -5.15 1.84 -0.04 -4.13 1.02 -1.26 -4.83 119.74 107.19 2cup s LYS 74 Ca 0.15 -1.28 -0.30 0.00 0.02 0.00 0.00 55.97 54.56 2cup s LYS 74 Cb -0.06 -2.08 -0.08 0.00 -0.52 0.00 0.00 37.83 35.09 2cup s LYS 74 CO 0.30 0.45 2.05 0.00 -0.92 0.00 0.00 175.35 177.22 2cup n ALA 75 N 0.39 1.64 -2.07 5.17 0.00 -1.26 -1.51 120.51 122.87 2cup n ALA 75 Ca -0.13 0.08 -0.30 0.00 0.00 0.00 0.00 53.44 53.08 2cup n ALA 75 Cb 0.54 -2.75 -0.02 0.00 0.00 0.00 0.00 19.45 17.22 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 5.61 4.74 0.04 0.00 1.01 -0.35 -4.92 121.20 127.33 2cup s ILE 76 Ca 0.93 0.71 0.07 0.00 0.00 0.00 0.00 60.65 62.36 2cup s ILE 76 Cb -0.41 -3.78 -0.03 0.00 0.01 0.00 0.00 42.46 38.26 2cup s ILE 76 CO 0.40 -0.73 -0.21 -0.69 0.00 0.00 0.00 174.94 173.72 2cup s VAL 77 N -2.64 1.67 0.14 2.92 1.01 -1.26 -4.48 120.40 117.77 2cup s VAL 77 Ca 0.53 -1.20 -0.21 0.00 0.00 0.00 0.00 61.98 61.10 2cup s VAL 77 Cb -0.10 -1.46 -0.00 0.00 0.00 0.00 0.00 36.38 34.82 2cup s VAL 77 CO 0.38 0.21 1.68 0.00 0.00 0.00 0.00 175.10 177.36 2cup h ALA 78 N 4.87 0.05 -0.85 5.51 0.00 -1.99 -2.32 119.26 124.52 2cup h ALA 78 Ca -0.43 0.08 -0.02 0.00 0.00 0.00 0.00 54.91 54.54 2cup h ALA 78 Cb 1.16 0.26 -0.04 0.00 0.00 0.00 0.00 17.79 19.17 2cup h ALA 78 CO 0.44 -0.54 0.46 0.78 0.00 0.00 0.00 179.25 180.39 2cup h GLY 79 N -0.10 1.27 -1.42 0.00 0.00 -2.05 -3.44 103.07 97.33 2cup h GLY 79 Ca 0.11 -0.58 -0.39 0.00 0.00 0.00 0.00 47.33 46.47 2cup h GLY 79 CO -0.26 0.56 -1.10 1.22 0.00 0.00 0.00 176.54 176.96 2cup n ASP 80 N -4.37 -2.65 -4.21 0.19 9.92 -0.87 -4.92 116.55 109.64 2cup n ASP 80 Ca 0.09 -0.19 -0.41 0.00 -0.53 0.00 0.00 54.79 53.74 2cup n ASP 80 Cb 0.10 -0.83 -0.07 0.00 -0.64 0.00 0.00 41.12 39.69 2cup n ASP 80 CO 0.00 0.00 0.00 -1.10 0.13 0.00 0.00 177.20 176.23 2cup s GLN 81 N -3.23 2.91 0.26 -1.24 1.11 -1.26 -4.93 119.66 113.28 2cup s GLN 81 Ca 0.47 -2.29 0.07 0.00 0.01 0.00 0.00 55.36 53.61 2cup s GLN 81 Cb -0.06 -4.04 -0.03 0.00 -1.01 0.00 0.00 33.01 27.86 2cup s GLN 81 CO 0.56 -1.22 0.24 0.54 0.01 0.00 0.00 175.29 175.41 2cup s ASN 82 N 1.78 5.66 -0.30 5.90 2.20 -1.26 -0.98 114.94 127.94 2cup s ASN 82 Ca 0.14 -0.21 0.03 0.00 -0.94 0.00 0.00 52.86 51.88 2cup s ASN 82 Cb -0.19 -1.45 0.07 0.00 -2.00 0.00 0.00 41.25 37.69 2cup s ASN 82 CO -0.04 -0.08 -0.03 -0.69 -2.94 0.00 0.00 177.10 173.32 2cup s VAL 83 N -2.12 2.34 -0.02 3.54 1.01 0.19 -4.76 120.40 120.57 2cup s VAL 83 Ca 0.34 -1.85 -0.21 0.00 0.00 0.00 0.00 61.98 60.26 2cup s VAL 83 Cb -0.08 -2.50 -0.05 0.00 0.00 0.00 0.00 36.38 33.75 2cup s VAL 83 CO 0.26 -0.25 0.59 -0.70 0.00 0.00 0.00 175.10 175.01 2cup s GLU 84 N 1.06 4.33 0.00 2.72 2.12 -1.26 0.12 118.70 127.78 2cup s GLU 84 Ca -0.02 0.72 0.00 0.00 0.36 0.00 0.00 54.97 56.03 2cup s GLU 84 Cb -0.20 -3.36 0.00 0.00 0.26 0.00 0.00 34.13 30.83 2cup s GLU 84 CO -0.05 0.32 0.00 0.98 -0.54 0.00 0.00 175.26 175.97 2cup n TYR 85 N 2.91 0.00 -3.80 5.30 9.36 -0.94 -4.98 117.16 125.01 2cup n TYR 85 Ca -0.06 0.00 -0.29 0.00 3.32 0.00 0.00 57.90 60.87 2cup n TYR 85 Cb 0.51 0.10 -0.13 0.00 -0.63 0.00 0.00 39.34 39.20 2cup n TYR 85 CO 0.00 0.00 0.00 0.15 0.22 0.00 0.00 176.86 177.23 2cup s LYS 86 N -0.51 1.70 0.00 2.98 -0.14 -1.26 -4.88 119.74 117.62 2cup s LYS 86 Ca 0.00 -2.47 0.00 0.00 -1.36 0.00 0.00 55.97 52.14 2cup s LYS 86 Cb 0.00 -2.78 0.00 0.00 -1.68 0.00 0.00 37.83 33.37 2cup s LYS 86 CO 0.00 -1.19 0.00 0.41 -0.76 0.00 0.00 175.35 173.81 2cup n GLY 87 N 3.04 1.06 3.88 -3.33 0.00 -1.26 -4.89 105.19 103.70 2cup n GLY 87 Ca 0.11 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.84 2cup n GLY 87 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2cup s THR 88 N 0.00 5.09 -0.12 2.61 2.01 -1.26 -5.10 115.64 118.87 2cup s THR 88 Ca 0.00 -0.62 0.03 0.00 0.31 0.00 0.00 61.69 61.41 2cup s THR 88 Cb 0.00 -3.53 0.01 0.00 0.01 0.00 0.00 72.50 68.99 2cup s THR 88 CO 0.00 0.05 -0.20 0.68 -0.69 0.00 0.00 174.62 174.47 2cup s VAL 89 N -1.57 1.84 -0.18 3.82 -7.23 -1.26 -2.21 120.40 113.61 2cup s VAL 89 Ca 0.33 -0.86 -0.09 0.00 -1.81 0.00 0.00 61.98 59.56 2cup s VAL 89 Cb -0.12 -1.64 -0.05 0.00 0.56 0.00 0.00 36.38 35.14 2cup s VAL 89 CO 0.26 0.51 0.12 0.26 -0.31 0.00 0.00 175.10 175.94 2cup s TRP 90 N 0.77 3.41 1.00 2.82 0.52 0.33 -4.20 118.94 123.59 2cup s TRP 90 Ca -0.09 0.31 -0.19 0.00 0.02 0.00 0.00 56.10 56.15 2cup s TRP 90 Cb -0.16 -2.09 -0.16 0.00 -1.15 0.00 0.00 33.47 29.91 2cup s TRP 90 CO 0.00 0.35 -0.92 0.72 0.02 0.00 0.00 176.95 177.12 2cup n HIS 91 N 3.21 -4.67 1.23 -1.98 8.25 -1.26 0.53 115.22 120.53 2cup n HIS 91 Ca -0.17 0.07 0.06 0.00 -0.26 0.00 0.00 57.72 57.42 2cup n HIS 91 Cb 0.53 -1.42 0.38 0.00 1.12 0.00 0.00 29.99 30.60 2cup n HIS 91 CO 0.00 0.00 0.00 1.63 0.64 0.00 0.00 176.34 178.61 2cup n LYS 92 N 2.50 0.61 -0.00 -0.41 4.76 -0.15 -2.58 118.16 122.89 2cup n LYS 92 Ca -0.02 0.00 -0.00 0.00 -2.87 0.00 0.00 58.31 55.42 2cup n LYS 92 Cb 0.59 -1.33 -0.01 0.00 -1.84 0.00 0.00 35.03 32.44 2cup n LYS 92 CO 0.00 0.00 0.00 -3.47 -1.37 0.00 0.00 177.40 172.56 2cup n ASP 93 N -0.83 4.52 -0.10 4.39 2.03 -1.26 -4.73 116.55 120.57 2cup n ASP 93 Ca 0.10 -0.00 -0.13 0.00 0.52 0.00 0.00 54.79 55.28 2cup n ASP 93 Cb 0.04 0.34 -0.04 0.00 -0.72 0.00 0.00 41.12 40.75 2cup n ASP 93 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2cup s PHE 95 N -4.42 1.40 -0.56 0.00 2.19 -1.06 -4.92 117.98 110.60 2cup s PHE 95 Ca -0.12 0.38 0.04 0.00 0.33 0.00 0.00 56.93 57.56 2cup s PHE 95 Cb 0.09 -4.02 0.16 0.00 -1.31 0.00 0.00 43.02 37.94 2cup s PHE 95 CO 0.83 -4.02 0.38 -1.12 1.83 0.00 0.00 175.22 173.12 2cup s SER 96 N 6.79 3.79 0.00 6.13 0.01 -1.26 -5.00 113.70 124.17 2cup s SER 96 Ca 0.92 -3.32 0.00 0.00 1.31 0.00 0.00 55.95 54.85 2cup s SER 96 Cb -0.32 -1.25 0.00 0.00 0.21 0.00 0.00 66.02 64.66 2cup s SER 96 CO 0.35 -0.16 0.00 0.61 0.41 0.00 0.00 173.24 174.45 2cup n GLY 97 N 2.63 5.83 3.77 3.44 0.00 -1.26 -5.12 105.19 114.48 2cup n GLY 97 Ca 0.18 -1.87 -0.35 0.00 0.00 0.00 0.00 46.02 43.98 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 1.72 3.31 0.24 1.61 0.04 -1.26 -5.05 135.00 135.61 2cup s PRO 98 Ca 0.00 1.59 0.03 0.00 0.04 0.00 0.00 61.00 62.66 2cup s PRO 98 Cb 0.00 -2.00 -0.03 0.00 0.04 0.00 0.00 34.50 32.51 2cup s PRO 98 CO 0.00 -0.88 0.39 -1.12 0.04 0.00 0.00 177.00 175.43 2cup s SER 99 N -1.85 6.33 0.47 6.66 0.01 -1.26 -5.12 113.70 118.94 2cup s SER 99 Ca 0.72 0.21 0.05 0.00 1.31 0.00 0.00 55.95 58.25 2cup s SER 99 Cb -0.24 -1.93 -0.02 0.00 0.21 0.00 0.00 66.02 64.05 2cup s SER 99 CO 0.28 -0.09 0.18 -0.44 0.41 0.00 0.00 173.24 173.58 2cup s SER 100 N -3.74 4.36 0.00 2.44 0.01 -1.26 -5.34 113.70 110.18 2cup s SER 100 Ca 0.36 -1.30 0.09 0.00 1.31 0.00 0.00 55.95 56.41 2cup s SER 100 Cb -0.10 0.03 0.07 0.00 0.21 0.00 0.00 66.02 66.23 2cup s SER 100 CO 0.30 -0.77 0.78 0.61 0.41 0.00 0.00 173.24 174.58