#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hty s ALA 23 N 0.00 3.46 0.20 4.61 0.00 -1.26 -5.02 121.76 123.75 3hty s ALA 23 Ca 0.00 1.21 -0.14 0.00 0.00 0.00 0.00 51.96 53.03 3hty s ALA 23 Cb 0.00 -3.46 -0.07 0.00 0.00 0.00 0.00 23.12 19.59 3hty s ALA 23 CO 0.00 -0.60 0.60 0.45 0.00 0.00 0.00 175.76 176.21 3hty s SER 24 N -0.57 6.80 0.13 0.00 0.15 -1.26 -4.85 113.70 114.09 3hty s SER 24 Ca 0.49 1.11 0.25 0.00 0.70 0.00 0.00 55.95 58.51 3hty s SER 24 Cb -0.38 -2.30 0.94 0.00 -1.71 0.00 0.00 66.02 62.57 3hty s SER 24 CO 0.51 0.01 1.77 0.00 1.20 0.00 0.00 173.24 176.72 3hty n ILE 25 N 0.40 0.51 -1.95 6.45 3.06 -1.26 -4.80 119.36 121.77 3hty n ILE 25 Ca -0.02 -0.04 -0.42 0.00 -2.50 0.00 0.00 62.75 59.77 3hty n ILE 25 Cb 0.52 -0.72 -0.03 0.00 0.54 0.00 0.00 39.64 39.95 3hty n ILE 25 CO 0.00 0.00 0.00 -0.69 -2.50 0.00 0.00 176.55 173.36 3hty s VAL 26 N -3.10 3.16 -5.00 9.51 1.01 -1.26 -4.83 120.40 119.89 3hty s VAL 26 Ca 0.10 0.54 0.00 0.00 0.00 0.00 0.00 61.98 62.62 3hty s VAL 26 Cb 0.13 -3.35 0.00 0.00 0.00 0.00 0.00 36.38 33.16 3hty s VAL 26 CO 0.50 -0.01 0.00 0.61 0.00 0.00 0.00 175.10 176.20 3hty n GLY 27 N 4.01 -0.39 3.67 4.51 0.00 -1.26 -5.03 105.19 110.70 3hty n GLY 27 Ca 0.16 -1.63 -0.35 0.00 0.00 0.00 0.00 46.02 44.20 3hty n GLY 27 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3hty s SER 28 N -2.28 5.97 -0.19 1.61 0.01 -1.26 -4.46 113.70 113.10 3hty s SER 28 Ca 0.00 0.14 -0.01 0.00 1.31 0.00 0.00 55.95 57.39 3hty s SER 28 Cb 0.00 -2.05 0.01 0.00 0.21 0.00 0.00 66.02 64.19 3hty s SER 28 CO 0.00 0.14 -0.15 0.26 0.41 0.00 0.00 173.24 173.90 3hty s TRP 29 N 0.61 2.83 0.28 2.43 0.52 -0.18 -0.15 118.94 125.28 3hty s TRP 29 Ca 0.06 -1.42 0.03 0.00 0.02 0.00 0.00 56.10 54.80 3hty s TRP 29 Cb -0.12 -1.98 -0.06 0.00 -1.15 0.00 0.00 33.47 30.16 3hty s TRP 29 CO 0.01 -0.72 0.04 0.14 0.02 0.00 0.00 176.95 176.43 3hty s VAL 30 N 1.34 1.04 0.14 4.03 -7.23 0.10 -0.91 120.40 118.91 3hty s VAL 30 Ca 0.05 -2.02 -0.07 0.00 -1.81 0.00 0.00 61.98 58.13 3hty s VAL 30 Cb -0.13 -2.59 -0.01 0.00 0.56 0.00 0.00 36.38 34.20 3hty s VAL 30 CO -0.10 -0.13 0.21 -1.83 -0.31 0.00 0.00 175.10 172.94 3hty s GLU 31 N -3.90 1.03 0.60 4.82 -1.05 0.25 -0.41 118.70 120.03 3hty s GLU 31 Ca 0.34 -1.18 -0.19 0.00 -0.15 0.00 0.00 54.97 53.79 3hty s GLU 31 Cb 0.07 0.34 -0.03 0.00 -0.44 0.00 0.00 34.13 34.07 3hty s GLU 31 CO 0.13 -0.35 1.25 -2.14 0.95 0.00 0.00 175.26 175.09 3hty s PRO 32 N -3.96 2.87 -0.17 -4.83 0.02 -1.26 -0.61 135.00 127.06 3hty s PRO 32 Ca 0.15 1.93 -0.29 0.00 0.02 0.00 0.00 61.00 62.82 3hty s PRO 32 Cb 0.05 -1.94 -0.00 0.00 0.02 0.00 0.00 34.50 32.62 3hty s PRO 32 CO -0.02 -1.31 1.01 0.08 -0.33 0.00 0.00 177.00 176.42 3hty s VAL 33 N -1.50 4.74 0.14 3.83 1.01 -0.73 -4.58 120.40 123.31 3hty s VAL 33 Ca 0.78 2.01 -0.35 0.00 0.00 0.00 0.00 61.98 64.42 3hty s VAL 33 Cb -0.33 -4.30 -0.15 0.00 0.00 0.00 0.00 36.38 31.60 3hty s VAL 33 CO 0.36 -0.08 1.50 -2.65 0.00 0.00 0.00 175.10 174.24 3hty n PRO 34 N 5.62 1.85 0.00 2.72 -0.02 -1.26 -2.05 135.00 141.85 3hty n PRO 34 Ca 0.10 0.67 0.00 0.00 -2.02 0.00 0.00 63.50 62.24 3hty n PRO 34 Cb 0.47 -2.39 0.00 0.00 -0.02 0.00 0.00 33.50 31.56 3hty n PRO 34 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3hty n GLY 35 N 3.12 2.74 3.91 -1.23 0.00 -1.26 -5.02 105.19 107.45 3hty n GLY 35 Ca 0.17 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.90 3hty n GLY 35 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3hty s LEU 36 N 0.00 4.20 0.05 0.99 1.43 -0.87 -5.04 118.68 119.43 3hty s LEU 36 Ca 0.00 0.59 -0.16 0.00 -1.03 0.00 0.00 54.13 53.53 3hty s LEU 36 Cb 0.00 -3.36 -0.21 0.00 0.03 0.00 0.00 46.19 42.66 3hty s LEU 36 CO 0.00 -0.05 1.19 -0.33 0.23 0.00 0.00 176.35 177.40 3hty h GLU 37 N 2.29 0.59 0.00 1.70 4.39 -1.95 -3.42 114.58 118.18 3hty h GLU 37 Ca -0.47 -0.57 0.00 0.00 0.34 0.00 0.00 59.36 58.66 3hty h GLU 37 Cb 1.18 0.14 0.00 0.00 -0.10 0.00 0.00 28.75 29.97 3hty h GLU 37 CO 0.69 1.19 -0.17 0.41 -1.16 0.00 0.00 179.01 179.97 3hty n GLY 38 N 0.92 0.71 3.81 -3.84 0.00 -1.26 -5.10 105.19 100.43 3hty n GLY 38 Ca -0.09 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.59 3hty n GLY 38 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3hty s GLN 39 N -0.77 3.89 0.16 1.61 1.11 -1.26 -4.98 119.66 119.42 3hty s GLN 39 Ca 0.00 1.23 0.08 0.00 0.01 0.00 0.00 55.36 56.68 3hty s GLN 39 Cb 0.00 -2.12 -0.04 0.00 -1.01 0.00 0.00 33.01 29.84 3hty s GLN 39 CO 0.00 -0.34 -0.16 0.14 0.01 0.00 0.00 175.29 174.94 3hty s VAL 40 N -2.16 1.65 0.08 1.09 -7.23 -1.26 -1.78 120.40 110.79 3hty s VAL 40 Ca 0.64 -1.93 0.02 0.00 -1.81 0.00 0.00 61.98 58.90 3hty s VAL 40 Cb -0.13 -1.80 -0.03 0.00 0.56 0.00 0.00 36.38 34.97 3hty s VAL 40 CO 0.21 -0.41 -0.07 0.00 -0.31 0.00 0.00 175.10 174.51 3hty s GLN 41 N -2.97 0.71 0.00 4.82 -2.07 0.22 -4.65 119.66 115.72 3hty s GLN 41 Ca 0.15 -1.09 0.00 0.00 -1.82 0.00 0.00 55.36 52.61 3hty s GLN 41 Cb -0.04 -0.27 0.00 0.00 -1.09 0.00 0.00 33.01 31.61 3hty s GLN 41 CO 0.05 0.02 0.00 0.41 -1.32 0.00 0.00 175.29 174.45 3hty n GLY 42 N 0.62 -0.63 2.83 2.60 0.00 -0.64 -0.59 105.19 109.37 3hty n GLY 42 Ca -0.17 -0.56 -0.20 0.00 0.00 0.00 0.00 46.02 45.09 3hty n GLY 42 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3hty s ILE 43 N -4.00 0.38 0.44 -0.61 1.01 -0.09 -0.07 121.20 118.26 3hty s ILE 43 Ca 0.00 0.03 0.05 0.00 0.00 0.00 0.00 60.65 60.72 3hty s ILE 43 Cb 0.00 -0.48 0.08 0.00 0.01 0.00 0.00 42.46 42.07 3hty s ILE 43 CO 0.00 0.22 0.61 1.17 0.00 0.00 0.00 174.94 176.94 3hty n LYS 44 N 4.50 0.53 -3.59 2.79 4.81 -0.26 -1.01 118.16 125.92 3hty n LYS 44 Ca -0.18 -2.11 -0.05 0.00 -0.87 0.00 0.00 58.31 55.09 3hty n LYS 44 Cb 0.50 -0.26 -0.03 0.00 0.02 0.00 0.00 35.03 35.26 3hty n LYS 44 CO 0.00 0.00 0.00 -1.21 1.17 0.00 0.00 177.40 177.36 3hty s GLU 46 N -3.99 0.37 0.36 1.64 2.02 -0.31 -1.40 118.70 117.38 3hty s GLU 46 Ca 0.44 -0.06 -0.27 0.00 0.02 0.00 0.00 54.97 55.09 3hty s GLU 46 Cb -0.03 0.17 -0.12 0.00 0.10 0.00 0.00 34.13 34.25 3hty s GLU 46 CO 0.28 -0.15 1.25 0.39 0.02 0.00 0.00 175.26 177.06 3hty n GLU 47 N 0.16 2.00 0.00 1.61 -0.58 -1.26 -1.92 120.64 120.64 3hty n GLU 47 Ca -0.03 0.70 0.00 0.00 -0.42 0.00 0.00 57.16 57.42 3hty n GLU 47 Cb 0.59 -2.29 0.00 0.00 -0.57 0.00 0.00 31.44 29.17 3hty n GLU 47 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3hty n GLY 48 N 0.83 0.78 0.32 0.62 0.00 -1.26 -4.49 105.19 101.99 3hty n GLY 48 Ca 0.06 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.08 3hty n GLY 48 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3hty n GLY 49 N -2.00 0.41 3.75 -0.02 0.00 -0.81 -5.05 105.19 101.47 3hty n GLY 49 Ca 0.00 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.61 3hty n GLY 49 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3hty s VAL 50 N -2.15 3.46 0.06 1.61 1.01 -1.25 -0.85 120.40 122.28 3hty s VAL 50 Ca 0.00 1.31 0.07 0.00 0.00 0.00 0.00 61.98 63.36 3hty s VAL 50 Cb 0.00 -3.84 -0.03 0.00 0.00 0.00 0.00 36.38 32.52 3hty s VAL 50 CO 0.00 0.25 -0.18 0.00 0.00 0.00 0.00 175.10 175.17 3hty s ALA 51 N -0.46 1.54 0.01 5.51 0.00 -0.63 -1.17 121.76 126.57 3hty s ALA 51 Ca 0.50 -1.02 -0.06 0.00 0.00 0.00 0.00 51.96 51.39 3hty s ALA 51 Cb -0.33 -0.26 -0.00 0.00 0.00 0.00 0.00 23.12 22.53 3hty s ALA 51 CO 0.39 0.32 0.10 -1.54 0.00 0.00 0.00 175.76 175.04 3hty s SER 52 N -1.34 0.09 0.48 0.00 1.04 -0.49 -2.99 113.70 110.48 3hty s SER 52 Ca 0.05 -0.31 -0.21 0.00 0.48 0.00 0.00 55.95 55.95 3hty s SER 52 Cb -0.09 0.19 -0.07 0.00 0.10 0.00 0.00 66.02 66.15 3hty s SER 52 CO 0.02 -0.39 1.10 -0.44 0.98 0.00 0.00 173.24 174.51 3hty s SER 53 N -1.53 6.17 -0.32 7.02 0.01 -1.26 -1.11 113.70 122.68 3hty s SER 53 Ca -0.13 2.12 -0.01 0.00 1.31 0.00 0.00 55.95 59.23 3hty s SER 53 Cb -0.07 -2.58 0.07 0.00 0.21 0.00 0.00 66.02 63.65 3hty s SER 53 CO 0.00 -0.90 0.04 -0.69 0.41 0.00 0.00 173.24 172.09 3hty s VAL 54 N -1.76 2.91 -0.46 3.43 1.01 0.90 -4.80 120.40 121.63 3hty s VAL 54 Ca 0.67 -1.63 -0.08 0.00 0.00 0.00 0.00 61.98 60.94 3hty s VAL 54 Cb -0.23 -2.79 0.01 0.00 0.00 0.00 0.00 36.38 33.38 3hty s VAL 54 CO 0.27 -0.26 0.53 0.59 0.00 0.00 0.00 175.10 176.23 3hty n ASN 55 N 4.57 -6.92 0.00 3.32 3.02 -1.26 -1.63 115.26 116.36 3hty n ASN 55 Ca -0.09 0.25 0.00 0.00 -0.03 0.00 0.00 54.58 54.71 3hty n ASN 55 Cb 0.43 -4.64 0.00 0.00 -0.61 0.00 0.00 39.78 34.96 3hty n ASN 55 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3hty n ALA 57 N -0.84 0.33 0.02 5.41 0.00 -1.26 -4.87 120.51 119.30 3hty n ALA 57 Ca 0.06 0.00 -0.07 0.00 0.00 0.00 0.00 53.44 53.44 3hty n ALA 57 Cb 0.43 0.00 0.12 0.00 0.00 0.00 0.00 19.45 19.99 3hty n ALA 57 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.50 178.65 3hty h THR 58 N 0.00 1.32 -3.57 0.00 2.02 -1.96 -3.41 112.91 107.31 3hty h THR 58 Ca 0.00 -1.65 -0.64 0.00 0.77 0.00 0.00 66.41 64.88 3hty h THR 58 Cb 0.00 1.67 -0.21 0.00 -1.74 0.00 0.00 68.15 67.87 3hty h THR 58 CO 0.00 0.51 -0.61 -0.76 0.37 0.00 0.00 175.52 175.03 3hty s LEU 59 N -8.37 3.50 -0.38 2.58 1.02 -1.26 -1.01 118.68 114.76 3hty s LEU 59 Ca -0.07 -0.15 0.02 0.00 0.02 0.00 0.00 54.13 53.96 3hty s LEU 59 Cb 0.12 -1.92 0.11 0.00 0.02 0.00 0.00 46.19 44.52 3hty s LEU 59 CO 0.82 0.02 0.11 -0.69 0.02 0.00 0.00 176.35 176.63 3hty s VAL 60 N 1.31 2.57 0.45 -1.59 1.01 0.37 -4.77 120.40 119.75 3hty s VAL 60 Ca 0.05 -2.39 -0.22 0.00 0.00 0.00 0.00 61.98 59.42 3hty s VAL 60 Cb -0.15 -2.85 -0.09 0.00 0.00 0.00 0.00 36.38 33.30 3hty s VAL 60 CO 0.03 -0.65 1.05 -0.31 0.00 0.00 0.00 175.10 175.23 3hty s TYR 61 N 0.82 3.11 0.00 5.22 2.02 -1.26 -1.17 117.35 126.09 3hty s TYR 61 Ca 0.11 1.60 0.00 0.00 -0.37 0.00 0.00 57.07 58.42 3hty s TYR 61 Cb -0.20 -3.11 0.00 0.00 -0.40 0.00 0.00 41.96 38.25 3hty s TYR 61 CO -0.06 -0.77 0.00 0.39 -1.57 0.00 0.00 175.55 173.53 3hty n GLU 62 N -0.54 0.00 -3.61 -0.62 1.02 0.39 -4.11 120.64 113.17 3hty n GLU 62 Ca 0.07 0.00 -0.10 0.00 -0.02 0.00 0.00 57.16 57.11 3hty n GLU 62 Cb 0.51 -0.89 -0.03 0.00 -0.02 0.00 0.00 31.44 31.01 3hty n GLU 62 CO 0.00 0.00 0.00 -1.54 1.18 0.00 0.00 177.13 176.77 3hty s SER 63 N -3.81 -0.36 0.04 1.62 1.04 -0.87 -1.60 113.70 109.76 3hty s SER 63 Ca 0.00 -0.29 -0.01 0.00 0.48 0.00 0.00 55.95 56.14 3hty s SER 63 Cb 0.00 0.57 -0.03 0.00 0.10 0.00 0.00 66.02 66.66 3hty s SER 63 CO 0.00 -1.00 -0.03 -1.66 0.98 0.00 0.00 173.24 171.53 3hty s TRP 64 N -3.82 0.41 -0.06 5.02 1.48 -0.03 -0.92 118.94 121.02 3hty s TRP 64 Ca 0.05 -0.84 -0.20 0.00 -1.06 0.00 0.00 56.10 54.04 3hty s TRP 64 Cb -0.01 -0.31 0.04 0.00 -1.16 0.00 0.00 33.47 32.04 3hty s TRP 64 CO -0.08 -0.30 0.46 -1.59 -4.06 0.00 0.00 176.95 171.38 3hty s LYS 65 N -2.92 0.78 -0.15 3.25 0.00 -0.36 -4.61 119.74 115.73 3hty s LYS 65 Ca -0.02 0.11 0.01 0.00 0.00 0.00 0.00 55.97 56.07 3hty s LYS 65 Cb 0.01 0.36 0.02 0.00 0.00 0.00 0.00 37.83 38.22 3hty s LYS 65 CO -0.06 -0.21 -0.17 -1.14 0.00 0.00 0.00 175.35 173.77 3hty s GLN 66 N -1.00 2.57 -0.25 1.78 0.74 -1.26 -0.18 119.66 122.06 3hty s GLN 66 Ca -0.10 -0.67 0.01 0.00 0.05 0.00 0.00 55.36 54.65 3hty s GLN 66 Cb -0.03 -2.26 0.05 0.00 1.10 0.00 0.00 33.01 31.87 3hty s GLN 66 CO 0.05 -0.19 -0.11 -1.21 -0.55 0.00 0.00 175.29 173.29 3hty s GLU 67 N 1.32 2.50 7.74 1.67 2.02 -0.39 -4.97 118.70 128.58 3hty s GLU 67 Ca 0.03 -1.18 0.00 0.00 0.02 0.00 0.00 54.97 53.83 3hty s GLU 67 Cb -0.13 -2.88 0.00 0.00 0.10 0.00 0.00 34.13 31.22 3hty s GLU 67 CO -0.10 -0.48 0.00 0.41 0.02 0.00 0.00 175.26 175.11 3hty n GLY 68 N 4.53 3.28 1.19 -1.39 0.00 -1.26 -1.19 105.19 110.35 3hty n GLY 68 Ca -0.16 -0.13 0.03 0.00 0.00 0.00 0.00 46.02 45.76 3hty n GLY 68 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3hty n THR 69 N 0.00 2.49 -3.74 2.61 -2.24 -1.26 -4.95 114.28 107.18 3hty n THR 69 Ca 0.00 -2.02 -0.37 0.00 -2.27 0.00 0.00 64.05 59.39 3hty n THR 69 Cb 0.00 -0.29 -0.06 0.00 -2.10 0.00 0.00 70.33 67.87 3hty n THR 69 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 3hty s LYS 70 N -2.96 3.70 -0.15 -0.78 -0.14 -0.33 -0.26 119.74 118.82 3hty s LYS 70 Ca 0.46 0.01 -0.02 0.00 -1.36 0.00 0.00 55.97 55.06 3hty s LYS 70 Cb 0.38 -3.24 -0.02 0.00 -1.68 0.00 0.00 37.83 33.27 3hty s LYS 70 CO 0.08 0.66 -0.09 -1.17 -0.76 0.00 0.00 175.35 174.07 3hty s LEU 71 N -0.76 2.90 -0.23 3.17 2.96 -1.26 -1.26 118.68 124.19 3hty s LEU 71 Ca 0.16 -0.28 -0.02 0.00 -0.22 0.00 0.00 54.13 53.77 3hty s LEU 71 Cb -0.13 -1.68 0.01 0.00 0.50 0.00 0.00 46.19 44.89 3hty s LEU 71 CO 0.06 0.14 -0.06 -0.63 -1.32 0.00 0.00 176.35 174.53 3hty s ILE 72 N 0.53 3.01 -0.19 6.68 1.09 0.75 -4.33 121.20 128.75 3hty s ILE 72 Ca -0.06 -0.81 -0.03 0.00 -1.10 0.00 0.00 60.65 58.65 3hty s ILE 72 Cb -0.15 -2.45 -0.01 0.00 -1.06 0.00 0.00 42.46 38.79 3hty s ILE 72 CO 0.03 0.31 -0.07 -0.76 -0.10 0.00 0.00 174.94 174.36 3hty s LEU 73 N 1.39 2.90 -0.12 2.97 1.43 0.18 -1.22 118.68 126.21 3hty s LEU 73 Ca 0.03 -0.33 -0.03 0.00 -1.03 0.00 0.00 54.13 52.77 3hty s LEU 73 Cb -0.15 -1.71 -0.03 0.00 0.03 0.00 0.00 46.19 44.32 3hty s LEU 73 CO -0.05 0.06 -0.01 -0.89 0.23 0.00 0.00 176.35 175.69 3hty s THR 74 N 1.01 4.21 0.00 5.49 2.01 -0.10 -0.81 115.64 127.45 3hty s THR 74 Ca -0.00 -0.27 0.00 0.00 0.31 0.00 0.00 61.69 61.73 3hty s THR 74 Cb -0.15 -2.80 0.00 0.00 0.01 0.00 0.00 72.50 69.56 3hty s THR 74 CO -0.00 0.56 0.00 0.61 -0.69 0.00 0.00 174.62 175.09 3hty n GLY 75 N 2.72 1.57 3.19 4.40 0.00 -0.22 -0.46 105.19 116.39 3hty n GLY 75 Ca -0.18 -0.81 -0.11 0.00 0.00 0.00 0.00 46.02 44.92 3hty n GLY 75 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3hty s LYS 76 N -0.68 0.70 0.05 1.61 -2.85 -0.32 0.20 119.74 118.46 3hty s LYS 76 Ca 0.00 -0.58 0.05 0.00 -1.00 0.00 0.00 55.97 54.43 3hty s LYS 76 Cb 0.00 0.29 -0.04 0.00 -2.06 0.00 0.00 37.83 36.03 3hty s LYS 76 CO 0.00 -0.20 -0.07 -1.54 0.10 0.00 0.00 175.35 173.64 3hty s SER 77 N -2.02 4.61 -0.04 0.03 1.04 -0.12 -0.48 113.70 116.73 3hty s SER 77 Ca -0.06 -0.23 0.05 0.00 0.48 0.00 0.00 55.95 56.19 3hty s SER 77 Cb -0.01 -1.02 -0.02 0.00 0.10 0.00 0.00 66.02 65.07 3hty s SER 77 CO -0.03 0.23 -0.20 -0.63 0.98 0.00 0.00 173.24 173.59 3hty s ILE 78 N -1.13 2.60 0.00 -1.02 -1.09 -0.18 -0.79 121.20 119.59 3hty s ILE 78 Ca 0.20 -0.90 0.00 0.00 -2.23 0.00 0.00 60.65 57.72 3hty s ILE 78 Cb -0.11 -1.97 0.00 0.00 -1.58 0.00 0.00 42.46 38.80 3hty s ILE 78 CO 0.12 0.58 0.00 0.61 -1.23 0.00 0.00 174.94 175.02 3hty n GLY 79 N 2.41 2.52 2.30 6.18 0.00 -0.48 -4.82 105.19 113.30 3hty n GLY 79 Ca -0.17 -0.67 -0.14 0.00 0.00 0.00 0.00 46.02 45.05 3hty n GLY 79 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3hty n ASN 80 N 0.00 -4.42 -1.15 1.61 5.03 -1.26 -1.56 115.26 113.52 3hty n ASN 80 Ca 0.00 0.06 -0.12 0.00 0.87 0.00 0.00 54.58 55.39 3hty n ASN 80 Cb 0.00 -3.50 -0.03 0.00 -1.02 0.00 0.00 39.78 35.22 3hty n ASN 80 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 3hty n GLY 81 N -1.06 0.71 3.26 7.41 0.00 -1.26 -4.98 105.19 109.27 3hty n GLY 81 Ca -0.16 -0.42 -0.13 0.00 0.00 0.00 0.00 46.02 45.31 3hty n GLY 81 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3hty s GLN 82 N -3.71 1.33 -0.02 1.61 -0.21 -0.60 -5.17 119.66 112.88 3hty s GLN 82 Ca 0.00 -1.65 0.02 0.00 0.02 0.00 0.00 55.36 53.75 3hty s GLN 82 Cb 0.00 0.30 0.01 0.00 1.00 0.00 0.00 33.01 34.32 3hty s GLN 82 CO 0.00 -0.46 -0.06 0.99 -2.12 0.00 0.00 175.29 173.64 3hty s THR 83 N -4.02 0.57 -0.19 -0.19 2.01 -1.26 -1.38 115.64 111.18 3hty s THR 83 Ca 0.37 -0.24 0.01 0.00 0.31 0.00 0.00 61.69 62.14 3hty s THR 83 Cb 0.05 -0.53 0.04 0.00 0.01 0.00 0.00 72.50 72.08 3hty s THR 83 CO 0.14 0.19 -0.12 -0.63 -0.69 0.00 0.00 174.62 173.51 3hty s ILE 84 N 0.27 1.73 0.49 1.82 1.01 0.02 -4.96 121.20 121.59 3hty s ILE 84 Ca -0.03 -0.99 -0.20 0.00 0.00 0.00 0.00 60.65 59.43 3hty s ILE 84 Cb -0.08 -1.74 -0.08 0.00 0.01 0.00 0.00 42.46 40.57 3hty s ILE 84 CO 0.00 0.25 1.06 -1.61 0.00 0.00 0.00 174.94 174.64 3hty s GLU 85 N 1.37 3.73 0.05 2.79 0.41 -1.26 -0.95 118.70 124.84 3hty s GLU 85 Ca 0.00 1.44 -0.12 0.00 -0.41 0.00 0.00 54.97 55.88 3hty s GLU 85 Cb -0.15 -2.11 0.01 0.00 -1.78 0.00 0.00 34.13 30.10 3hty s GLU 85 CO -0.09 -0.51 0.26 -0.59 -0.49 0.00 0.00 175.26 173.84 3hty s PHE 86 N -1.90 -0.03 -0.12 1.61 -0.12 0.13 -4.91 117.98 112.64 3hty s PHE 86 Ca 0.68 -0.17 -0.02 0.00 -0.05 0.00 0.00 56.93 57.37 3hty s PHE 86 Cb -0.19 0.04 0.04 0.00 -0.63 0.00 0.00 43.02 42.28 3hty s PHE 86 CO 0.22 -0.49 -0.00 0.08 -0.05 0.00 0.00 175.22 174.98 3hty s VAL 87 N -2.71 0.57 -0.15 -2.49 1.01 -1.26 -1.05 120.40 114.31 3hty s VAL 87 Ca -0.04 -0.20 -0.04 0.00 0.00 0.00 0.00 61.98 61.71 3hty s VAL 87 Cb -0.00 -0.81 -0.03 0.00 0.00 0.00 0.00 36.38 35.54 3hty s VAL 87 CO -0.04 0.12 -0.03 -1.81 0.00 0.00 0.00 175.10 173.34 3hty s ASP 88 N 1.88 4.86 0.26 3.32 1.01 0.01 -4.96 116.67 123.05 3hty s ASP 88 Ca 0.03 -0.10 0.10 0.00 0.71 0.00 0.00 52.55 53.28 3hty s ASP 88 Cb -0.14 -1.77 -0.04 0.00 1.01 0.00 0.00 42.92 41.98 3hty s ASP 88 CO -0.07 0.18 -0.02 -0.89 0.21 0.00 0.00 175.17 174.58 3hty s THR 89 N 0.29 3.36 -0.04 -1.27 2.01 -1.26 -0.65 115.64 118.09 3hty s THR 89 Ca -0.03 -1.94 0.06 0.00 0.31 0.00 0.00 61.69 60.09 3hty s THR 89 Cb -0.14 -2.79 -0.02 0.00 0.01 0.00 0.00 72.50 69.56 3hty s THR 89 CO 0.03 -0.37 -0.22 -1.81 -0.69 0.00 0.00 174.62 171.56 3hty s ASP 91 N -3.62 3.36 -0.32 3.53 1.01 0.63 -4.89 116.67 116.36 3hty s ASP 91 Ca 0.31 -0.40 -0.23 0.00 0.71 0.00 0.00 52.55 52.94 3hty s ASP 91 Cb -0.06 -0.66 0.00 0.00 1.01 0.00 0.00 42.92 43.21 3hty s ASP 91 CO 0.19 0.30 0.75 -0.63 0.21 0.00 0.00 175.17 176.00 3hty s ILE 92 N -0.48 4.80 -0.13 0.77 1.01 0.65 -1.03 121.20 126.79 3hty s ILE 92 Ca 0.06 1.03 0.17 0.00 0.00 0.00 0.00 60.65 61.91 3hty s ILE 92 Cb -0.11 -4.14 -0.23 0.00 0.01 0.00 0.00 42.46 37.99 3hty s ILE 92 CO 0.01 -0.28 0.41 0.29 0.00 0.00 0.00 174.94 175.36 3hty n LYS 93 N 6.20 0.66 -3.74 2.79 4.76 0.90 -4.94 118.16 124.78 3hty n LYS 93 Ca 0.03 0.09 -0.12 0.00 -2.87 0.00 0.00 58.31 55.44 3hty n LYS 93 Cb 0.48 -1.65 -0.11 0.00 -1.84 0.00 0.00 35.03 31.91 3hty n LYS 93 CO 0.00 0.00 0.00 0.50 -1.37 0.00 0.00 177.40 176.53 3hty s ARG 94 N -2.70 0.33 -0.19 1.97 3.52 -1.10 -4.96 118.95 115.81 3hty s ARG 94 Ca -0.07 0.53 -0.04 0.00 -0.13 0.00 0.00 55.73 56.02 3hty s ARG 94 Cb 0.08 0.07 0.10 0.00 -1.56 0.00 0.00 34.95 33.63 3hty s ARG 94 CO 0.83 -0.09 0.31 -1.17 -0.81 0.00 0.00 175.30 174.36 3hty s LEU 95 N 0.67 -0.39 0.00 -0.88 2.96 -1.26 -1.24 118.68 118.54 3hty s LEU 95 Ca -0.04 0.31 0.05 0.00 -0.22 0.00 0.00 54.13 54.23 3hty s LEU 95 Cb -0.05 0.82 -0.02 0.00 0.50 0.00 0.00 46.19 47.44 3hty s LEU 95 CO -0.04 -0.28 0.19 0.35 -1.32 0.00 0.00 176.35 175.24 3hty n THR 96 N 5.35 0.00 -0.24 3.68 -2.24 -0.03 -4.59 114.28 116.22 3hty n THR 96 Ca -0.05 -1.84 0.09 0.00 -2.27 0.00 0.00 64.05 59.98 3hty n THR 96 Cb 0.50 0.86 0.36 0.00 -2.10 0.00 0.00 70.33 69.94 3hty n THR 96 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3hty h ALA 97 N 1.74 1.77 0.00 6.98 0.00 -1.94 -3.25 119.26 124.56 3hty h ALA 97 Ca -0.19 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.71 3hty h ALA 97 Cb 0.92 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.55 3hty h ALA 97 CO 0.29 0.04 -0.59 -0.25 0.00 0.00 0.00 179.25 178.74 3hty n ASP 98 N -4.52 0.78 -4.04 0.00 8.00 -1.26 -4.70 116.55 110.81 3hty n ASP 98 Ca 0.15 -0.62 -0.11 0.00 0.71 0.00 0.00 54.79 54.92 3hty n ASP 98 Cb 0.37 1.06 -0.11 0.00 -0.02 0.00 0.00 41.12 42.42 3hty n ASP 98 CO 0.00 0.00 0.00 -0.44 -0.39 0.00 0.00 177.20 176.37 3hty s SER 99 N -2.07 0.58 -0.04 -2.24 0.01 -1.23 -1.43 113.70 107.27 3hty s SER 99 Ca 0.03 -0.60 -0.02 0.00 1.31 0.00 0.00 55.95 56.67 3hty s SER 99 Cb 0.07 0.08 0.03 0.00 0.21 0.00 0.00 66.02 66.41 3hty s SER 99 CO 0.39 -0.30 0.04 -0.22 0.41 0.00 0.00 173.24 173.57 3hty s LEU 100 N -1.76 0.33 -0.15 2.44 2.96 -0.88 -0.85 118.68 120.77 3hty s LEU 100 Ca -0.09 0.04 0.02 0.00 -0.22 0.00 0.00 54.13 53.88 3hty s LEU 100 Cb -0.07 -0.20 0.01 0.00 0.50 0.00 0.00 46.19 46.43 3hty s LEU 100 CO -0.02 -0.23 -0.21 -0.69 -1.32 0.00 0.00 176.35 173.89 3hty s VAL 101 N 2.02 2.08 0.07 1.68 1.01 -0.38 -0.34 120.40 126.54 3hty s VAL 101 Ca 0.04 -0.97 0.07 0.00 0.00 0.00 0.00 61.98 61.12 3hty s VAL 101 Cb -0.12 -1.84 -0.04 0.00 0.00 0.00 0.00 36.38 34.38 3hty s VAL 101 CO -0.03 0.55 -0.13 -0.76 0.00 0.00 0.00 175.10 174.72 3hty s LEU 102 N 0.92 2.89 -0.03 3.92 1.43 -0.19 -0.07 118.68 127.54 3hty s LEU 102 Ca -0.04 -0.38 -0.03 0.00 -1.03 0.00 0.00 54.13 52.64 3hty s LEU 102 Cb -0.15 -1.70 0.01 0.00 0.03 0.00 0.00 46.19 44.39 3hty s LEU 102 CO -0.04 0.22 0.09 -0.62 0.23 0.00 0.00 176.35 176.22 3hty s ASP 103 N -1.84 -0.09 -0.19 2.29 -1.08 -0.20 -0.85 116.67 114.71 3hty s ASP 103 Ca 0.18 0.18 -0.03 0.00 -0.52 0.00 0.00 52.55 52.36 3hty s ASP 103 Cb -0.11 0.17 0.06 0.00 -1.46 0.00 0.00 42.92 41.58 3hty s ASP 103 CO 0.10 -0.04 0.04 0.21 0.52 0.00 0.00 175.17 176.00 3hty s ASN 104 N 0.14 2.80 -1.49 -0.34 2.47 -1.26 -0.27 114.94 116.99 3hty s ASN 104 Ca -0.01 -0.77 -0.06 0.00 0.42 0.00 0.00 52.86 52.44 3hty s ASN 104 Cb -0.02 -0.54 0.04 0.00 -1.45 0.00 0.00 41.25 39.29 3hty s ASN 104 CO -0.00 -0.31 0.55 0.00 -3.72 0.00 0.00 177.10 173.62 3hty n GLN 105 N 5.08 -3.45 -0.77 0.43 6.02 -1.26 -4.79 117.38 118.64 3hty n GLN 105 Ca -0.09 0.41 0.00 0.00 -0.01 0.00 0.00 57.00 57.32 3hty n GLN 105 Cb 0.47 -4.74 0.00 0.00 1.02 0.00 0.00 30.24 26.99 3hty n GLN 105 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3hty n GLY 106 N -1.82 0.24 0.00 1.08 0.00 -1.26 -5.27 105.19 98.16 3hty n GLY 106 Ca -0.19 -0.46 0.00 0.00 0.00 0.00 0.00 46.02 45.37 3hty n GLY 106 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 3hty n GLU 108 N -0.51 0.00 -3.98 1.61 2.13 -1.26 -5.07 120.64 113.55 3hty n GLU 108 Ca 0.00 0.00 -0.15 0.00 0.66 0.00 0.00 57.16 57.67 3hty n GLU 108 Cb 0.26 0.00 -0.15 0.00 0.27 0.00 0.00 31.44 31.82 3hty n GLU 108 CO 0.00 0.00 0.00 -1.50 -0.41 0.00 0.00 177.13 175.22 3hty s ILE 109 N -1.76 0.20 -0.15 6.31 1.10 -0.03 -5.00 121.20 121.87 3hty s ILE 109 Ca 0.00 -0.04 -0.02 0.00 -0.51 0.00 0.00 60.65 60.09 3hty s ILE 109 Cb 0.00 -0.22 -0.02 0.00 0.15 0.00 0.00 42.46 42.37 3hty s ILE 109 CO 0.00 0.09 -0.09 -0.60 -2.11 0.00 0.00 174.94 172.23 3hty s ARG 110 N 0.36 3.46 0.22 3.50 3.52 -1.26 -1.02 118.95 127.72 3hty s ARG 110 Ca -0.03 -0.63 0.09 0.00 -0.13 0.00 0.00 55.73 55.03 3hty s ARG 110 Cb -0.06 -2.77 -0.04 0.00 -1.56 0.00 0.00 34.95 30.52 3hty s ARG 110 CO -0.01 0.15 -0.09 0.71 -0.81 0.00 0.00 175.30 175.26 3hty s TYR 111 N 0.55 2.60 0.03 5.12 1.51 0.53 -4.86 117.35 122.84 3hty s TYR 111 Ca -0.06 -0.24 0.02 0.00 -1.01 0.00 0.00 57.07 55.78 3hty s TYR 111 Cb -0.15 -1.22 -0.04 0.00 -0.11 0.00 0.00 41.96 40.44 3hty s TYR 111 CO 0.03 0.57 0.01 0.00 -1.11 0.00 0.00 175.55 175.05 3hty s ALA 112 N -1.97 3.32 0.00 3.71 0.00 0.45 -2.07 121.76 125.21 3hty s ALA 112 Ca 0.27 -1.00 -0.30 0.00 0.00 0.00 0.00 51.96 50.93 3hty s ALA 112 Cb -0.08 -1.32 -0.06 0.00 0.00 0.00 0.00 23.12 21.67 3hty s ALA 112 CO 0.16 0.67 1.47 0.21 0.00 0.00 0.00 175.76 178.27 3hty s LYS 113 N -1.85 4.26 0.05 0.00 2.47 -0.51 -0.72 119.74 123.43 3hty s LYS 113 Ca 0.22 2.05 -0.31 0.00 -1.56 0.00 0.00 55.97 56.37 3hty s LYS 113 Cb -0.12 -3.62 -0.07 0.00 -1.46 0.00 0.00 37.83 32.57 3hty s LYS 113 CO 0.14 -0.63 1.52 -1.14 0.16 0.00 0.00 175.35 175.39 3hty s GLN 114 N 2.61 4.25 0.00 4.03 0.74 0.79 -4.91 119.66 127.16 3hty s GLN 114 Ca 0.66 2.15 0.29 0.00 0.05 0.00 0.00 55.36 58.51 3hty s GLN 114 Cb -0.33 -3.54 1.16 0.00 1.10 0.00 0.00 33.01 31.40 3hty s GLN 114 CO 0.27 -0.64 1.81 1.63 -0.55 0.00 0.00 175.29 177.82