#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 2.88 0.14 4.61 0.00 -1.26 -5.03 121.76 123.10 3hty s ALA 23 Ca 0.00 0.82 -0.07 0.00 0.00 0.00 0.00 51.96 52.71 3hty s ALA 23 Cb 0.00 -3.34 -0.06 0.00 0.00 0.00 0.00 23.12 19.72 3hty s ALA 23 CO 0.00 -0.58 0.40 0.45 0.00 0.00 0.00 175.76 176.03 3hty s SER 24 N -1.61 6.55 0.00 0.00 0.15 -1.26 -4.91 113.70 112.62 3hty s SER 24 Ca 0.66 0.69 0.25 0.00 0.70 0.00 0.00 55.95 58.25 3hty s SER 24 Cb -0.24 -2.13 1.08 0.00 -1.71 0.00 0.00 66.02 63.02 3hty s SER 24 CO 0.29 0.07 1.81 0.00 1.20 0.00 0.00 173.24 176.61 3hty n ILE 25 N 0.29 0.26 -1.98 6.45 3.06 -1.26 -4.82 119.36 121.36 3hty n ILE 25 Ca -0.04 0.06 -0.42 0.00 -2.50 0.00 0.00 62.75 59.86 3hty n ILE 25 Cb 0.52 -0.63 -0.03 0.00 0.54 0.00 0.00 39.64 40.04 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 -3.00 3.14 -5.00 9.51 1.01 -1.26 -4.84 120.40 119.96 3hty s VAL 26 Ca 0.12 0.60 0.00 0.00 0.00 0.00 0.00 61.98 62.70 3hty s VAL 26 Cb 0.17 -3.38 0.00 0.00 0.00 0.00 0.00 36.38 33.16 3hty s VAL 26 CO 0.46 0.00 0.00 0.61 0.00 0.00 0.00 175.10 176.17 3hty n GLY 27 N 3.92 -1.29 3.59 4.51 0.00 -1.26 -5.03 105.19 109.62 3hty n GLY 27 Ca 0.15 -1.48 -0.37 0.00 0.00 0.00 0.00 46.02 44.32 3hty n GLY 27 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3hty s SER 28 N -1.74 5.82 -0.19 1.61 0.15 -1.26 -4.45 113.70 113.64 3hty s SER 28 Ca 0.00 -0.00 -0.01 0.00 0.70 0.00 0.00 55.95 56.63 3hty s SER 28 Cb 0.00 -2.06 0.00 0.00 -1.71 0.00 0.00 66.02 62.26 3hty s SER 28 CO 0.00 0.01 -0.12 0.26 1.20 0.00 0.00 173.24 174.59 3hty s TRP 29 N 1.36 2.86 0.11 3.44 0.52 0.05 -0.85 118.94 126.42 3hty s TRP 29 Ca 0.07 -1.21 -0.00 0.00 0.02 0.00 0.00 56.10 54.97 3hty s TRP 29 Cb -0.15 -1.99 -0.04 0.00 -1.15 0.00 0.00 33.47 30.14 3hty s TRP 29 CO 0.06 -0.62 0.01 0.14 0.02 0.00 0.00 176.95 176.56 3hty s VAL 30 N 1.25 0.27 0.05 4.03 -7.23 -0.65 -0.87 120.40 117.26 3hty s VAL 30 Ca 0.03 -1.89 -0.01 0.00 -1.81 0.00 0.00 61.98 58.29 3hty s VAL 30 Cb -0.14 -1.86 -0.04 0.00 0.56 0.00 0.00 36.38 34.90 3hty s VAL 30 CO -0.06 -0.67 -0.02 -1.83 -0.31 0.00 0.00 175.10 172.21 3hty s GLU 31 N -3.97 0.61 0.63 4.82 -1.05 0.16 -0.87 118.70 119.03 3hty s GLU 31 Ca 0.18 -1.17 -0.18 0.00 -0.15 0.00 0.00 54.97 53.64 3hty s GLU 31 Cb 0.07 0.21 -0.02 0.00 -0.44 0.00 0.00 34.13 33.96 3hty s GLU 31 CO -0.02 -0.12 1.25 -2.14 0.95 0.00 0.00 175.26 175.18 3hty s PRO 32 N -3.80 2.70 -0.36 -4.83 0.02 -1.26 -0.46 135.00 127.01 3hty s PRO 32 Ca 0.06 1.94 -0.26 0.00 0.02 0.00 0.00 61.00 62.75 3hty s PRO 32 Cb 0.07 -1.88 0.02 0.00 0.02 0.00 0.00 34.50 32.72 3hty s PRO 32 CO -0.10 -1.45 0.95 0.08 -0.33 0.00 0.00 177.00 176.16 3hty s VAL 33 N -1.53 4.57 0.10 3.83 1.01 -0.21 -4.66 120.40 123.51 3hty s VAL 33 Ca 0.80 1.27 -0.32 0.00 0.00 0.00 0.00 61.98 63.72 3hty s VAL 33 Cb -0.34 -4.35 -0.12 0.00 0.00 0.00 0.00 36.38 31.58 3hty s VAL 33 CO 0.37 -0.54 1.79 -2.65 0.00 0.00 0.00 175.10 174.08 3hty n PRO 34 N 6.81 2.56 0.00 2.72 -0.02 -1.26 -1.95 135.00 143.85 3hty n PRO 34 Ca 0.08 0.93 0.00 0.00 -2.02 0.00 0.00 63.50 62.49 3hty n PRO 34 Cb 0.48 -2.79 0.00 0.00 -0.02 0.00 0.00 33.50 31.17 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 4.09 3.41 2.97 -1.23 0.00 -1.26 -5.00 105.19 108.17 3hty n GLY 35 Ca 0.19 0.00 -0.31 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 3.96 0.44 0.99 1.43 -0.82 -5.11 118.68 119.57 3hty s LEU 36 Ca 0.00 -1.89 -0.25 0.00 -1.03 0.00 0.00 54.13 50.96 3hty s LEU 36 Cb 0.00 -1.44 -0.08 0.00 0.03 0.00 0.00 46.19 44.70 3hty s LEU 36 CO 0.00 -0.35 1.29 -1.83 0.23 0.00 0.00 176.35 175.68 3hty s GLU 37 N 1.10 3.76 0.00 1.70 4.04 -1.26 -3.01 118.70 125.04 3hty s GLU 37 Ca 0.07 2.09 0.00 0.00 0.04 0.00 0.00 54.97 57.17 3hty s GLU 37 Cb -0.19 -2.59 0.00 0.00 0.02 0.00 0.00 34.13 31.38 3hty s GLU 37 CO -0.11 -0.64 0.00 0.41 -1.84 0.00 0.00 175.26 173.08 3hty n GLY 38 N 0.63 1.69 3.72 -3.83 0.00 -1.26 -5.01 105.19 101.12 3hty n GLY 38 Ca 0.06 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.74 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 -0.02 2.95 0.22 1.61 -1.52 -1.16 -5.05 119.66 116.69 3hty s GLN 39 Ca 0.00 -0.49 0.08 0.00 -1.95 0.00 0.00 55.36 53.00 3hty s GLN 39 Cb 0.00 -2.78 -0.05 0.00 -0.22 0.00 0.00 33.01 29.96 3hty s GLN 39 CO 0.00 0.66 -0.14 0.14 -0.25 0.00 0.00 175.29 175.70 3hty s VAL 40 N -1.04 1.81 0.03 1.09 -7.23 -1.26 -1.04 120.40 112.75 3hty s VAL 40 Ca 0.18 -2.23 -0.06 0.00 -1.81 0.00 0.00 61.98 58.06 3hty s VAL 40 Cb -0.12 -2.10 -0.01 0.00 0.56 0.00 0.00 36.38 34.72 3hty s VAL 40 CO 0.08 -0.55 0.11 0.00 -0.31 0.00 0.00 175.10 174.43 3hty s GLN 41 N -3.64 0.57 0.00 4.82 -2.07 0.39 -4.67 119.66 115.06 3hty s GLN 41 Ca 0.24 -0.65 0.00 0.00 -1.82 0.00 0.00 55.36 53.13 3hty s GLN 41 Cb -0.01 0.23 0.00 0.00 -1.09 0.00 0.00 33.01 32.14 3hty s GLN 41 CO 0.08 -0.14 0.00 0.41 -1.32 0.00 0.00 175.29 174.32 3hty n GLY 42 N 0.94 -0.61 2.90 2.60 0.00 -0.28 -0.66 105.19 110.08 3hty n GLY 42 Ca -0.20 -0.61 -0.17 0.00 0.00 0.00 0.00 46.02 45.04 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 -3.84 0.38 0.51 -0.61 1.01 -0.05 -0.18 121.20 118.42 3hty s ILE 43 Ca 0.00 -0.11 0.08 0.00 0.00 0.00 0.00 60.65 60.62 3hty s ILE 43 Cb 0.00 -0.38 0.08 0.00 0.01 0.00 0.00 42.46 42.17 3hty s ILE 43 CO 0.00 0.15 0.66 1.17 0.00 0.00 0.00 174.94 176.92 3hty n LYS 44 N 3.55 0.67 -3.59 2.79 4.81 0.07 -0.77 118.16 125.69 3hty n LYS 44 Ca -0.20 -2.81 -0.05 0.00 -0.87 0.00 0.00 58.31 54.38 3hty n LYS 44 Cb 0.54 -0.13 -0.03 0.00 0.02 0.00 0.00 35.03 35.43 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 -4.28 0.34 0.36 1.64 2.02 0.01 -0.77 118.70 118.03 3hty s GLU 46 Ca 0.50 -0.08 -0.28 0.00 0.02 0.00 0.00 54.97 55.14 3hty s GLU 46 Cb -0.04 0.16 -0.12 0.00 0.10 0.00 0.00 34.13 34.23 3hty s GLU 46 CO 0.32 -0.14 1.35 0.39 0.02 0.00 0.00 175.26 177.19 3hty n GLU 47 N 0.09 2.27 0.00 1.61 -0.58 -1.26 -1.84 120.64 120.92 3hty n GLU 47 Ca -0.02 0.80 0.00 0.00 -0.42 0.00 0.00 57.16 57.52 3hty n GLU 47 Cb 0.59 -2.44 0.00 0.00 -0.57 0.00 0.00 31.44 29.02 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 0.68 0.58 0.74 0.62 0.00 -1.26 -4.49 105.19 102.05 3hty n GLY 48 Ca 0.04 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.06 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 -1.98 0.64 3.74 -0.02 0.00 -0.77 -5.05 105.19 101.75 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 -2.45 3.57 0.08 1.61 1.01 -1.25 -1.06 120.40 121.92 3hty s VAL 50 Ca 0.00 1.34 0.09 0.00 0.00 0.00 0.00 61.98 63.41 3hty s VAL 50 Cb 0.00 -3.86 -0.03 0.00 0.00 0.00 0.00 36.38 32.49 3hty s VAL 50 CO 0.00 0.22 -0.22 0.00 0.00 0.00 0.00 175.10 175.10 3hty s ALA 51 N -0.13 1.94 0.03 5.51 0.00 -0.87 -0.81 121.76 127.42 3hty s ALA 51 Ca 0.52 -1.23 -0.06 0.00 0.00 0.00 0.00 51.96 51.19 3hty s ALA 51 Cb -0.32 -0.32 -0.01 0.00 0.00 0.00 0.00 23.12 22.47 3hty s ALA 51 CO 0.37 0.42 0.12 -1.54 0.00 0.00 0.00 175.76 175.13 3hty s SER 52 N -1.65 0.12 0.21 0.00 1.04 0.05 -2.91 113.70 110.56 3hty s SER 52 Ca 0.09 -0.41 -0.30 0.00 0.48 0.00 0.00 55.95 55.81 3hty s SER 52 Cb -0.10 0.22 -0.08 0.00 0.10 0.00 0.00 66.02 66.16 3hty s SER 52 CO 0.04 -0.46 1.13 -0.44 0.98 0.00 0.00 173.24 174.48 3hty s SER 53 N -1.86 7.22 -0.36 7.02 0.01 -1.26 -0.75 113.70 123.71 3hty s SER 53 Ca -0.09 2.18 -0.06 0.00 1.31 0.00 0.00 55.95 59.29 3hty s SER 53 Cb -0.04 -2.61 0.06 0.00 0.21 0.00 0.00 66.02 63.64 3hty s SER 53 CO -0.02 -0.24 0.14 -0.69 0.41 0.00 0.00 173.24 172.83 3hty s VAL 54 N -0.45 3.76 -0.20 3.43 1.01 0.74 -4.87 120.40 123.82 3hty s VAL 54 Ca 0.49 -1.30 -0.07 0.00 0.00 0.00 0.00 61.98 61.09 3hty s VAL 54 Cb -0.31 -3.21 0.03 0.00 0.00 0.00 0.00 36.38 32.89 3hty s VAL 54 CO 0.37 -0.29 0.14 -3.20 0.00 0.00 0.00 175.10 172.12 3hty n ASN 55 N 4.79 -3.56 0.00 3.32 5.15 -1.26 -1.12 115.26 122.58 3hty n ASN 55 Ca -0.11 1.30 0.00 0.00 -0.60 0.00 0.00 54.58 55.17 3hty n ASN 55 Cb 0.44 -4.80 0.00 0.00 -0.53 0.00 0.00 39.78 34.89 3hty n ASN 55 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 3hty n ALA 57 N 1.48 2.83 0.08 5.20 0.00 -1.26 -4.73 120.51 124.11 3hty n ALA 57 Ca -0.25 0.00 -0.08 0.00 0.00 0.00 0.00 53.44 53.11 3hty n ALA 57 Cb 0.40 0.08 0.02 0.00 0.00 0.00 0.00 19.45 19.96 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 1.46 -3.37 0.00 2.02 -1.97 -3.44 112.91 107.61 3hty h THR 58 Ca 0.00 -2.45 -0.59 0.00 0.77 0.00 0.00 66.41 64.15 3hty h THR 58 Cb 0.16 2.34 -0.10 0.00 -1.74 0.00 0.00 68.15 68.82 3hty h THR 58 CO 0.00 0.72 -0.23 -0.76 0.37 0.00 0.00 175.52 175.61 3hty s LEU 59 N -7.58 4.22 -0.48 2.58 1.43 -1.26 -1.48 118.68 116.11 3hty s LEU 59 Ca -0.03 0.59 0.02 0.00 -1.03 0.00 0.00 54.13 53.67 3hty s LEU 59 Cb 0.10 -2.51 0.13 0.00 0.03 0.00 0.00 46.19 43.95 3hty s LEU 59 CO 0.82 0.01 0.23 -0.69 0.23 0.00 0.00 176.35 176.96 3hty s VAL 60 N 0.79 2.82 0.53 -1.59 1.01 -0.08 -4.74 120.40 119.15 3hty s VAL 60 Ca 0.20 -2.83 -0.20 0.00 0.00 0.00 0.00 61.98 59.15 3hty s VAL 60 Cb -0.14 -2.96 -0.06 0.00 0.00 0.00 0.00 36.38 33.22 3hty s VAL 60 CO 0.07 -0.75 1.13 -0.31 0.00 0.00 0.00 175.10 175.24 3hty s TYR 61 N 0.25 2.70 0.00 5.22 2.02 -1.26 -1.12 117.35 125.15 3hty s TYR 61 Ca 0.14 1.54 0.00 0.00 -0.37 0.00 0.00 57.07 58.39 3hty s TYR 61 Cb -0.23 -3.29 0.00 0.00 -0.40 0.00 0.00 41.96 38.04 3hty s TYR 61 CO -0.03 -1.54 0.00 0.39 -1.57 0.00 0.00 175.55 172.79 3hty n GLU 62 N -1.22 0.51 -3.75 -0.62 1.02 -0.14 -4.29 120.64 112.15 3hty n GLU 62 Ca 0.11 0.00 -0.10 0.00 -0.02 0.00 0.00 57.16 57.16 3hty n GLU 62 Cb 0.51 -0.69 -0.06 0.00 -0.02 0.00 0.00 31.44 31.19 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 -2.81 -0.09 0.03 1.62 1.04 -0.98 -2.05 113.70 110.46 3hty s SER 63 Ca 0.00 -0.49 0.01 0.00 0.48 0.00 0.00 55.95 55.95 3hty s SER 63 Cb 0.00 0.43 -0.02 0.00 0.10 0.00 0.00 66.02 66.53 3hty s SER 63 CO 0.00 -0.83 -0.06 -1.66 0.98 0.00 0.00 173.24 171.67 3hty s TRP 64 N -3.84 0.52 -0.08 5.02 1.48 -0.23 -1.01 118.94 120.80 3hty s TRP 64 Ca 0.05 -0.46 -0.07 0.00 -1.06 0.00 0.00 56.10 54.56 3hty s TRP 64 Cb 0.03 -0.32 0.02 0.00 -1.16 0.00 0.00 33.47 32.04 3hty s TRP 64 CO -0.10 -0.10 0.21 0.15 -4.06 0.00 0.00 176.95 173.04 3hty s LYS 65 N -1.37 0.24 -0.18 3.25 1.02 -0.34 -4.64 119.74 117.72 3hty s LYS 65 Ca -0.10 0.29 0.01 0.00 0.02 0.00 0.00 55.97 56.19 3hty s LYS 65 Cb -0.09 0.12 0.02 0.00 -0.52 0.00 0.00 37.83 37.35 3hty s LYS 65 CO -0.00 -0.03 -0.20 -1.14 -0.92 0.00 0.00 175.35 173.06 3hty s GLN 66 N 0.12 3.00 -0.26 1.68 0.74 -1.26 -0.55 119.66 123.14 3hty s GLN 66 Ca -0.00 -0.83 0.02 0.00 0.05 0.00 0.00 55.36 54.60 3hty s GLN 66 Cb -0.02 -2.56 0.06 0.00 1.10 0.00 0.00 33.01 31.59 3hty s GLN 66 CO 0.00 -0.19 -0.09 -1.21 -0.55 0.00 0.00 175.29 173.26 3hty s GLU 67 N 1.23 2.04 7.74 1.67 2.02 -0.16 -4.96 118.70 128.27 3hty s GLU 67 Ca 0.04 -1.27 0.00 0.00 0.02 0.00 0.00 54.97 53.75 3hty s GLU 67 Cb -0.13 -2.82 0.00 0.00 0.10 0.00 0.00 34.13 31.28 3hty s GLU 67 CO -0.11 -0.59 0.00 0.41 0.02 0.00 0.00 175.26 174.98 3hty n GLY 68 N 4.49 3.29 1.21 -1.39 0.00 -1.26 -1.02 105.19 110.51 3hty n GLY 68 Ca -0.13 -0.13 0.06 0.00 0.00 0.00 0.00 46.02 45.82 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 2.47 -3.72 2.61 -2.24 -1.26 -4.95 114.28 107.19 3hty n THR 69 Ca 0.00 -1.84 -0.37 0.00 -2.27 0.00 0.00 64.05 59.57 3hty n THR 69 Cb 0.00 -0.28 -0.07 0.00 -2.10 0.00 0.00 70.33 67.89 3hty n THR 69 CO 0.00 0.00 0.00 -0.75 -0.57 0.00 0.00 175.07 173.75 3hty s LYS 70 N -2.88 3.86 -0.13 -0.78 2.20 -0.19 -0.47 119.74 121.35 3hty s LYS 70 Ca 0.46 -0.03 -0.01 0.00 -0.36 0.00 0.00 55.97 56.03 3hty s LYS 70 Cb 0.37 -3.30 -0.02 0.00 -1.51 0.00 0.00 37.83 33.37 3hty s LYS 70 CO 0.10 0.54 -0.09 -1.17 -0.36 0.00 0.00 175.35 174.36 3hty s LEU 71 N -0.39 2.94 -0.16 5.43 2.96 -1.26 -0.99 118.68 127.22 3hty s LEU 71 Ca 0.15 -0.22 0.01 0.00 -0.22 0.00 0.00 54.13 53.85 3hty s LEU 71 Cb -0.13 -1.67 0.01 0.00 0.50 0.00 0.00 46.19 44.90 3hty s LEU 71 CO 0.04 0.19 -0.19 -0.63 -1.32 0.00 0.00 176.35 174.44 3hty s ILE 72 N 0.19 2.27 -0.04 6.68 1.09 0.29 -4.37 121.20 127.31 3hty s ILE 72 Ca -0.05 -0.89 0.06 0.00 -1.10 0.00 0.00 60.65 58.66 3hty s ILE 72 Cb -0.15 -1.94 -0.02 0.00 -1.06 0.00 0.00 42.46 39.29 3hty s ILE 72 CO 0.04 0.53 -0.22 -0.76 -0.10 0.00 0.00 174.94 174.43 3hty s LEU 73 N 1.01 2.26 0.17 2.97 1.43 0.22 -1.20 118.68 125.55 3hty s LEU 73 Ca -0.02 -0.40 0.07 0.00 -1.03 0.00 0.00 54.13 52.75 3hty s LEU 73 Cb -0.15 -1.42 -0.04 0.00 0.03 0.00 0.00 46.19 44.62 3hty s LEU 73 CO -0.05 0.30 -0.15 0.42 0.23 0.00 0.00 176.35 177.10 3hty s THR 74 N -0.50 1.64 -1.26 5.49 -4.23 -0.18 -0.45 115.64 116.15 3hty s THR 74 Ca 0.06 -2.02 0.00 0.00 -1.18 0.00 0.00 61.69 58.55 3hty s THR 74 Cb -0.11 -1.87 0.00 0.00 1.34 0.00 0.00 72.50 71.85 3hty s THR 74 CO 0.01 -0.50 0.00 0.61 -0.54 0.00 0.00 174.62 174.20 3hty n GLY 75 N -0.01 -0.60 3.03 3.99 0.00 -1.02 -0.97 105.19 109.61 3hty n GLY 75 Ca -0.11 -0.74 -0.09 0.00 0.00 0.00 0.00 46.02 45.08 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 -0.50 0.45 -0.09 1.61 -2.85 -0.28 -0.92 119.74 117.16 3hty s LYS 76 Ca 0.00 -0.83 0.00 0.00 -1.00 0.00 0.00 55.97 54.14 3hty s LYS 76 Cb 0.00 0.05 -0.03 0.00 -2.06 0.00 0.00 37.83 35.80 3hty s LYS 76 CO 0.00 -0.05 -0.09 -1.54 0.10 0.00 0.00 175.35 173.77 3hty s SER 77 N -1.95 4.41 -0.21 0.03 1.04 -0.49 -0.90 113.70 115.64 3hty s SER 77 Ca -0.08 -0.14 -0.09 0.00 0.48 0.00 0.00 55.95 56.13 3hty s SER 77 Cb -0.05 -1.30 -0.04 0.00 0.10 0.00 0.00 66.02 64.73 3hty s SER 77 CO -0.03 0.29 0.11 -0.63 0.98 0.00 0.00 173.24 173.95 3hty s ILE 78 N -0.36 5.07 0.41 -1.02 1.01 -0.55 -1.28 121.20 124.48 3hty s ILE 78 Ca 0.05 0.07 0.06 0.00 0.00 0.00 0.00 60.65 60.83 3hty s ILE 78 Cb -0.12 -3.32 -0.07 0.00 0.01 0.00 0.00 42.46 38.95 3hty s ILE 78 CO 0.02 0.42 0.02 -0.83 0.00 0.00 0.00 174.94 174.57 3hty s GLY 79 N 0.64 2.50 0.16 6.18 0.00 -1.23 -4.85 107.32 110.71 3hty s GLY 79 Ca 0.06 -2.13 -0.17 0.00 0.00 0.00 0.00 44.72 42.48 3hty s GLY 79 CO 0.01 -2.07 1.68 3.43 0.00 0.00 0.00 173.10 176.15 3hty h ASN 80 N 1.78 -0.28 0.00 1.64 4.21 -2.04 -3.39 115.58 117.51 3hty h ASN 80 Ca -0.44 0.10 0.00 0.00 1.21 0.00 0.00 56.30 57.18 3hty h ASN 80 Cb 1.25 0.20 0.00 0.00 -1.12 0.00 0.00 38.32 38.65 3hty h ASN 80 CO 0.79 -0.09 0.00 0.61 -1.29 0.00 0.00 177.43 177.44 3hty n GLY 81 N -1.28 1.09 3.73 2.83 0.00 -1.26 -4.97 105.19 105.34 3hty n GLY 81 Ca 0.02 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.63 3hty n GLY 81 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 3hty s GLN 82 N 0.00 4.64 0.11 1.61 1.03 -1.26 -5.05 119.66 120.73 3hty s GLN 82 Ca 0.00 1.34 -0.20 0.00 0.04 0.00 0.00 55.36 56.54 3hty s GLN 82 Cb 0.00 -3.38 -0.07 0.00 0.03 0.00 0.00 33.01 29.59 3hty s GLN 82 CO 0.00 0.21 0.63 0.95 -2.54 0.00 0.00 175.29 174.54 3hty s THR 83 N 0.06 4.65 -0.06 3.63 -4.23 -1.26 -3.52 115.64 114.90 3hty s THR 83 Ca 0.45 1.31 0.01 0.00 -1.18 0.00 0.00 61.69 62.28 3hty s THR 83 Cb -0.22 -3.94 0.02 0.00 1.34 0.00 0.00 72.50 69.70 3hty s THR 83 CO 0.28 0.51 -0.05 -0.63 -0.54 0.00 0.00 174.62 174.19 3hty s ILE 84 N -1.16 0.62 0.56 2.99 1.01 -0.40 -4.94 121.20 119.87 3hty s ILE 84 Ca 0.32 -0.13 -0.19 0.00 0.00 0.00 0.00 60.65 60.65 3hty s ILE 84 Cb -0.20 -0.66 -0.05 0.00 0.01 0.00 0.00 42.46 41.56 3hty s ILE 84 CO 0.21 0.26 1.15 -1.61 0.00 0.00 0.00 174.94 174.95 3hty s GLU 85 N 1.18 3.23 0.05 2.79 0.41 -1.26 -1.39 118.70 123.71 3hty s GLU 85 Ca -0.07 1.67 -0.01 0.00 -0.41 0.00 0.00 54.97 56.15 3hty s GLU 85 Cb -0.14 -1.98 -0.04 0.00 -1.78 0.00 0.00 34.13 30.19 3hty s GLU 85 CO -0.01 -0.96 -0.02 -0.59 -0.49 0.00 0.00 175.26 173.18 3hty s PHE 86 N -1.73 0.49 -0.07 1.61 -0.12 -0.10 -4.91 117.98 113.15 3hty s PHE 86 Ca 0.74 -1.02 -0.00 0.00 -0.05 0.00 0.00 56.93 56.60 3hty s PHE 86 Cb -0.26 -0.37 0.02 0.00 -0.63 0.00 0.00 43.02 41.79 3hty s PHE 86 CO 0.29 -0.38 -0.04 0.08 -0.05 0.00 0.00 175.22 175.12 3hty s VAL 87 N -3.81 0.64 0.01 -2.49 1.01 -1.26 -2.43 120.40 112.08 3hty s VAL 87 Ca 0.06 -0.10 0.07 0.00 0.00 0.00 0.00 61.98 62.01 3hty s VAL 87 Cb 0.07 -0.71 -0.03 0.00 0.00 0.00 0.00 36.38 35.72 3hty s VAL 87 CO -0.10 0.28 -0.22 -1.81 0.00 0.00 0.00 175.10 173.26 3hty s ASP 88 N 1.47 3.45 0.29 3.32 1.01 0.40 -4.98 116.67 121.63 3hty s ASP 88 Ca -0.02 -0.45 0.09 0.00 0.71 0.00 0.00 52.55 52.89 3hty s ASP 88 Cb -0.13 -0.48 -0.06 0.00 1.01 0.00 0.00 42.92 43.26 3hty s ASP 88 CO -0.04 0.29 -0.13 -0.89 0.21 0.00 0.00 175.17 174.62 3hty s THR 89 N -0.78 2.13 -0.07 -1.27 2.01 -1.26 -0.61 115.64 115.79 3hty s THR 89 Ca 0.12 -2.25 0.05 0.00 0.31 0.00 0.00 61.69 59.91 3hty s THR 89 Cb -0.10 -2.42 -0.01 0.00 0.01 0.00 0.00 72.50 69.97 3hty s THR 89 CO 0.02 -0.33 -0.22 -1.81 -0.69 0.00 0.00 174.62 171.59 3hty s ASP 91 N -3.51 3.34 -0.31 3.53 1.01 0.65 -4.73 116.67 116.65 3hty s ASP 91 Ca 0.30 -0.45 -0.27 0.00 0.71 0.00 0.00 52.55 52.84 3hty s ASP 91 Cb -0.00 -1.02 0.01 0.00 1.01 0.00 0.00 42.92 42.92 3hty s ASP 91 CO 0.14 0.24 0.97 -0.63 0.21 0.00 0.00 175.17 176.10 3hty s ILE 92 N -0.10 4.62 -0.15 0.77 1.01 0.38 -0.59 121.20 127.14 3hty s ILE 92 Ca -0.05 1.56 0.16 0.00 0.00 0.00 0.00 60.65 62.33 3hty s ILE 92 Cb -0.14 -4.31 -0.24 0.00 0.01 0.00 0.00 42.46 37.77 3hty s ILE 92 CO 0.04 -0.37 0.25 0.29 0.00 0.00 0.00 174.94 175.15 3hty n LYS 93 N 6.59 0.67 -3.75 2.79 4.76 0.51 -4.92 118.16 124.81 3hty n LYS 93 Ca 0.09 0.09 -0.13 0.00 -2.87 0.00 0.00 58.31 55.49 3hty n LYS 93 Cb 0.47 -1.61 -0.11 0.00 -1.84 0.00 0.00 35.03 31.95 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 -2.52 0.38 -0.22 1.97 3.52 -1.14 -4.95 118.95 115.99 3hty s ARG 94 Ca -0.09 0.49 -0.03 0.00 -0.13 0.00 0.00 55.73 55.97 3hty s ARG 94 Cb 0.07 0.16 0.12 0.00 -1.56 0.00 0.00 34.95 33.73 3hty s ARG 94 CO 0.83 -0.06 0.34 -1.17 -0.81 0.00 0.00 175.30 174.42 3hty s LEU 95 N 0.32 -0.49 0.00 -0.88 2.96 -1.25 -1.00 118.68 118.33 3hty s LEU 95 Ca -0.01 0.21 0.03 0.00 -0.22 0.00 0.00 54.13 54.14 3hty s LEU 95 Cb -0.03 0.94 -0.01 0.00 0.50 0.00 0.00 46.19 47.59 3hty s LEU 95 CO -0.01 -0.30 0.11 0.35 -1.32 0.00 0.00 176.35 175.19 3hty n THR 96 N 5.36 0.00 0.31 3.68 -2.24 0.17 -4.60 114.28 116.95 3hty n THR 96 Ca -0.05 -1.97 0.18 0.00 -2.27 0.00 0.00 64.05 59.94 3hty n THR 96 Cb 0.50 0.68 0.99 0.00 -2.10 0.00 0.00 70.33 70.40 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 1.53 1.27 0.00 6.98 0.00 -1.95 -3.26 119.26 123.84 3hty h ALA 97 Ca -0.27 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.62 3hty h ALA 97 Cb 1.01 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.80 3hty h ALA 97 CO 0.43 0.02 -0.05 -0.25 0.00 0.00 0.00 179.25 179.40 3hty n ASP 98 N -3.50 0.27 -4.03 0.00 8.00 -1.26 -4.78 116.55 111.25 3hty n ASP 98 Ca -0.03 -0.39 -0.14 0.00 0.71 0.00 0.00 54.79 54.94 3hty n ASP 98 Cb 0.11 0.83 -0.13 0.00 -0.02 0.00 0.00 41.12 41.92 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 -0.89 0.81 -0.06 -2.24 0.01 -1.23 -1.00 113.70 109.10 3hty s SER 99 Ca 0.00 -0.38 -0.02 0.00 1.31 0.00 0.00 55.95 56.86 3hty s SER 99 Cb 0.00 -0.01 0.03 0.00 0.21 0.00 0.00 66.02 66.25 3hty s SER 99 CO 0.00 -0.10 0.05 -0.22 0.41 0.00 0.00 173.24 173.38 3hty s LEU 100 N -1.05 0.28 -0.13 2.44 2.96 -0.56 -0.66 118.68 121.96 3hty s LEU 100 Ca -0.05 -0.01 0.01 0.00 -0.22 0.00 0.00 54.13 53.86 3hty s LEU 100 Cb -0.07 -0.23 -0.00 0.00 0.50 0.00 0.00 46.19 46.39 3hty s LEU 100 CO 0.00 -0.24 -0.17 -0.69 -1.32 0.00 0.00 176.35 173.93 3hty s VAL 101 N 2.11 2.57 0.11 1.68 1.01 -0.17 -0.37 120.40 127.34 3hty s VAL 101 Ca 0.05 -0.82 0.10 0.00 0.00 0.00 0.00 61.98 61.30 3hty s VAL 101 Cb -0.12 -2.06 -0.04 0.00 0.00 0.00 0.00 36.38 34.16 3hty s VAL 101 CO -0.04 0.53 -0.24 -0.76 0.00 0.00 0.00 175.10 174.59 3hty s LEU 102 N 0.59 2.29 -0.14 3.92 1.43 0.05 -0.36 118.68 126.46 3hty s LEU 102 Ca -0.10 -0.70 -0.01 0.00 -1.03 0.00 0.00 54.13 52.29 3hty s LEU 102 Cb -0.16 -1.08 0.03 0.00 0.03 0.00 0.00 46.19 45.01 3hty s LEU 102 CO 0.03 0.14 -0.05 -0.62 0.23 0.00 0.00 176.35 176.08 3hty s ASP 103 N -1.89 2.47 -0.75 2.29 -1.08 0.25 -0.68 116.67 117.28 3hty s ASP 103 Ca 0.11 -0.48 -0.10 0.00 -0.52 0.00 0.00 52.55 51.56 3hty s ASP 103 Cb -0.10 -0.82 0.20 0.00 -1.46 0.00 0.00 42.92 40.74 3hty s ASP 103 CO 0.05 -0.17 0.64 0.21 0.52 0.00 0.00 175.17 176.42 3hty s ASN 104 N 1.71 6.15 -1.65 -0.34 3.84 -1.26 -0.26 114.94 123.12 3hty s ASN 104 Ca 0.03 -2.76 -0.17 0.00 0.21 0.00 0.00 52.86 50.17 3hty s ASN 104 Cb -0.14 -2.07 0.14 0.00 -0.55 0.00 0.00 41.25 38.63 3hty s ASN 104 CO -0.08 -0.49 0.82 0.00 -2.79 0.00 0.00 177.10 174.56 3hty n GLN 105 N 3.77 -3.70 0.00 0.43 10.64 -1.26 -4.84 117.38 122.42 3hty n GLN 105 Ca 0.11 0.42 0.00 0.00 -1.83 0.00 0.00 57.00 55.71 3hty n GLN 105 Cb 0.43 -5.16 0.00 0.00 -0.86 0.00 0.00 30.24 24.65 3hty n GLN 105 CO 0.00 0.00 0.00 0.41 -1.83 0.00 0.00 177.06 175.64 3hty n GLY 106 N -1.49 0.61 3.64 2.61 0.00 -1.26 -5.23 105.19 104.08 3hty n GLY 106 Ca 0.05 -0.63 -0.06 0.00 0.00 0.00 0.00 46.02 45.39 3hty n GLY 106 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3hty s GLU 108 N -0.44 0.58 -0.08 1.61 2.12 -1.26 -5.08 118.70 116.15 3hty s GLU 108 Ca 0.00 0.97 0.04 0.00 0.36 0.00 0.00 54.97 56.34 3hty s GLU 108 Cb 0.00 0.13 0.00 0.00 0.26 0.00 0.00 34.13 34.52 3hty s GLU 108 CO 0.00 -0.12 -0.20 0.42 -0.54 0.00 0.00 175.26 174.82 3hty s ILE 109 N 1.41 1.73 -0.17 -3.70 1.09 0.14 -4.99 121.20 116.71 3hty s ILE 109 Ca -0.09 -0.85 -0.01 0.00 -1.10 0.00 0.00 60.65 58.61 3hty s ILE 109 Cb -0.04 -1.50 -0.00 0.00 -1.06 0.00 0.00 42.46 39.85 3hty s ILE 109 CO -0.17 0.49 -0.12 -0.13 -0.10 0.00 0.00 174.94 174.91 3hty s ARG 110 N 0.29 3.28 0.13 2.79 0.52 -1.26 -0.77 118.95 123.93 3hty s ARG 110 Ca -0.13 -0.70 0.10 0.00 -0.52 0.00 0.00 55.73 54.48 3hty s ARG 110 Cb -0.16 -2.74 -0.04 0.00 0.52 0.00 0.00 34.95 32.53 3hty s ARG 110 CO 0.06 -0.03 -0.23 0.71 0.02 0.00 0.00 175.30 175.82 3hty s TYR 111 N 0.98 2.40 0.02 -0.53 2.02 0.50 -4.73 117.35 118.00 3hty s TYR 111 Ca -0.02 -0.33 0.03 0.00 -0.37 0.00 0.00 57.07 56.38 3hty s TYR 111 Cb -0.15 -1.28 -0.04 0.00 -0.40 0.00 0.00 41.96 40.10 3hty s TYR 111 CO -0.02 0.37 -0.03 0.00 -1.57 0.00 0.00 175.55 174.30 3hty s ALA 112 N -1.13 3.17 -0.01 3.71 0.00 -0.05 -1.49 121.76 125.96 3hty s ALA 112 Ca 0.16 -1.01 -0.30 0.00 0.00 0.00 0.00 51.96 50.80 3hty s ALA 112 Cb -0.10 -1.22 -0.03 0.00 0.00 0.00 0.00 23.12 21.77 3hty s ALA 112 CO 0.08 0.64 1.02 0.21 0.00 0.00 0.00 175.76 177.70 3hty s LYS 113 N -1.64 4.52 -0.35 0.00 2.47 -0.17 -1.63 119.74 122.93 3hty s LYS 113 Ca 0.20 1.46 -0.11 0.00 -1.56 0.00 0.00 55.97 55.96 3hty s LYS 113 Cb -0.11 -3.47 0.01 0.00 -1.46 0.00 0.00 37.83 32.80 3hty s LYS 113 CO 0.10 -0.13 0.19 -1.14 0.16 0.00 0.00 175.35 174.54 3hty s GLN 114 N 1.22 3.07 0.00 4.03 0.74 -0.03 -4.98 119.66 123.71 3hty s GLN 114 Ca 0.52 -0.91 0.11 0.00 0.05 0.00 0.00 55.36 55.13 3hty s GLN 114 Cb -0.22 -3.68 0.09 0.00 1.10 0.00 0.00 33.01 30.30 3hty s GLN 114 CO 0.26 -0.58 0.86 1.63 -0.55 0.00 0.00 175.29 176.91