#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2c7d s ARG 4 N 0.00 0.50 0.37 6.28 6.06 -1.26 -5.02 118.95 125.87 2c7d s ARG 4 Ca 0.00 0.06 -0.28 0.00 -2.50 0.00 0.00 55.73 53.02 2c7d s ARG 4 Cb 0.00 -0.22 -0.10 0.00 0.06 0.00 0.00 34.95 34.69 2c7d s ARG 4 CO 0.00 -1.07 1.36 -1.25 -2.50 0.00 0.00 175.30 171.84 2c7d s PRO 5 N 2.42 4.17 -0.71 5.12 0.04 -1.26 -4.93 135.00 139.84 2c7d s PRO 5 Ca 0.11 2.31 -0.03 0.00 0.04 0.00 0.00 61.00 63.43 2c7d s PRO 5 Cb -0.11 -2.95 0.15 0.00 0.04 0.00 0.00 34.50 31.63 2c7d s PRO 5 CO -0.25 -0.38 2.48 -0.11 0.04 0.00 0.00 177.00 178.78 2c7d n LEU 6 N 0.50 7.01 -1.24 -3.56 -0.00 -1.26 -2.99 117.00 115.46 2c7d n LEU 6 Ca 0.01 -4.46 0.00 0.00 -0.00 0.00 0.00 56.01 51.57 2c7d n LEU 6 Cb 0.41 -1.21 0.00 0.00 -0.00 0.00 0.00 43.42 42.63 2c7d n LEU 6 CO 0.60 1.81 -0.31 0.00 -0.00 0.00 0.00 177.39 179.48 2c7d n HIS 7 N 0.60 -3.15 0.00 1.96 1.44 -1.26 -4.57 115.22 110.24 2c7d n HIS 7 Ca 0.52 1.66 0.00 0.00 -2.01 0.00 0.00 57.72 57.89 2c7d n HIS 7 Cb 0.41 -2.94 0.00 0.00 0.12 0.00 0.00 29.99 27.58 2c7d n HIS 7 CO 0.00 0.00 0.00 -3.47 -2.81 0.00 0.00 176.34 170.06 2c7d n ASP 8 N 0.24 0.00 -4.62 4.39 2.03 -0.11 -4.91 116.55 113.57 2c7d n ASP 8 Ca 0.00 0.00 -0.38 0.00 0.52 0.00 0.00 54.79 54.93 2c7d n ASP 8 Cb 0.00 0.00 0.05 0.00 -0.72 0.00 0.00 41.12 40.45 2c7d n ASP 8 CO 0.00 0.00 0.00 0.54 -1.92 0.00 0.00 177.20 175.82 2c7d n ARG 9 N 0.00 0.97 -3.85 -0.67 5.12 -1.26 -0.71 116.66 116.25 2c7d n ARG 9 Ca 0.00 0.37 -0.12 0.00 -1.93 0.00 0.00 57.85 56.17 2c7d n ARG 9 Cb 0.00 -2.17 -0.12 0.00 -1.16 0.00 0.00 32.46 29.00 2c7d n ARG 9 CO 0.00 0.00 0.00 0.08 -1.93 0.00 0.00 177.63 175.78 2c7d s VAL 10 N -1.49 0.02 -0.13 1.55 1.01 0.11 -1.67 120.40 119.80 2c7d s VAL 10 Ca 0.74 -0.16 -0.01 0.00 0.00 0.00 0.00 61.98 62.55 2c7d s VAL 10 Cb -0.43 -0.19 -0.02 0.00 0.00 0.00 0.00 36.38 35.74 2c7d s VAL 10 CO 0.48 -0.09 -0.09 -0.63 0.00 0.00 0.00 175.10 174.77 2c7d s ILE 11 N -0.25 3.39 0.16 2.22 1.01 0.15 -1.41 121.20 126.48 2c7d s ILE 11 Ca -0.03 -0.55 0.01 0.00 0.00 0.00 0.00 60.65 60.08 2c7d s ILE 11 Cb -0.02 -2.44 -0.04 0.00 0.01 0.00 0.00 42.46 39.96 2c7d s ILE 11 CO 0.00 0.52 0.02 0.68 0.00 0.00 0.00 174.94 176.17 2c7d s VAL 12 N 0.20 0.49 -0.15 2.92 -7.23 -0.06 -0.45 120.40 116.11 2c7d s VAL 12 Ca -0.06 -1.96 -0.06 0.00 -1.81 0.00 0.00 61.98 58.10 2c7d s VAL 12 Cb -0.15 -2.10 -0.04 0.00 0.56 0.00 0.00 36.38 34.65 2c7d s VAL 12 CO 0.04 -0.46 0.05 -1.59 -0.31 0.00 0.00 175.10 172.82 2c7d s LYS 13 N -3.96 3.66 0.43 4.82 -2.85 -0.16 -0.57 119.74 121.11 2c7d s LYS 13 Ca 0.24 -0.35 -0.24 0.00 -1.00 0.00 0.00 55.97 54.61 2c7d s LYS 13 Cb 0.07 -3.08 -0.08 0.00 -2.06 0.00 0.00 37.83 32.67 2c7d s LYS 13 CO 0.03 0.43 1.23 0.50 0.10 0.00 0.00 175.35 177.64 2c7d s ARG 14 N -0.08 3.84 0.88 1.78 3.52 -1.26 -0.46 118.95 127.18 2c7d s ARG 14 Ca 0.06 1.96 -0.14 0.00 -0.13 0.00 0.00 55.73 57.48 2c7d s ARG 14 Cb -0.12 -2.58 0.14 0.00 -1.56 0.00 0.00 34.95 30.82 2c7d s ARG 14 CO 0.01 -0.53 1.24 0.15 -0.81 0.00 0.00 175.30 175.36 2c7d s LYS 15 N -2.45 1.32 -0.10 5.12 1.02 -0.15 -4.85 119.74 119.65 2c7d s LYS 15 Ca 0.60 -0.11 -0.39 0.00 0.02 0.00 0.00 55.97 56.09 2c7d s LYS 15 Cb -0.33 -1.90 -0.17 0.00 -0.52 0.00 0.00 37.83 34.91 2c7d s LYS 15 CO 0.42 -2.00 1.51 0.39 -0.92 0.00 0.00 175.35 174.74 2c7d n GLU 16 N -3.55 1.04 -1.73 1.68 -0.58 -1.26 -4.77 120.64 111.47 2c7d n GLU 16 Ca 0.11 0.38 -0.42 0.00 -0.42 0.00 0.00 57.16 56.81 2c7d n GLU 16 Cb 0.60 -2.02 -0.02 0.00 -0.57 0.00 0.00 31.44 29.43 2c7d n GLU 16 CO 0.00 0.00 0.00 0.28 -0.48 0.00 0.00 177.13 176.93 2c7d n VAL 17 N 3.40 0.90 -3.82 2.62 0.31 -1.26 -3.48 118.33 116.99 2c7d n VAL 17 Ca 0.22 -0.23 -0.26 0.00 -0.01 0.00 0.00 64.34 64.07 2c7d n VAL 17 Cb 0.15 -1.89 0.03 0.00 -0.91 0.00 0.00 33.84 31.21 2c7d n VAL 17 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 2c7d n GLU 18 N 2.33 -5.08 -1.43 5.55 1.02 -0.39 -4.64 120.64 118.00 2c7d n GLU 18 Ca 0.10 0.59 -0.57 0.00 -0.02 0.00 0.00 57.16 57.26 2c7d n GLU 18 Cb 0.36 -5.28 -0.09 0.00 -0.02 0.00 0.00 31.44 26.40 2c7d n GLU 18 CO 0.00 0.00 0.00 2.41 1.18 0.00 0.00 177.13 180.72 2c7d n THR 19 N -4.48 0.11 0.87 2.62 -1.04 -1.23 -4.73 114.28 106.41 2c7d n THR 19 Ca -0.14 -0.09 0.00 0.00 -2.04 0.00 0.00 64.05 61.78 2c7d n THR 19 Cb 0.61 -0.99 0.00 0.00 -1.82 0.00 0.00 70.33 68.13 2c7d n THR 19 CO 0.00 0.00 0.00 0.29 -0.64 0.00 0.00 175.07 174.72 2c7d n LYS 20 N 7.10 0.87 -3.84 -2.82 4.01 -1.26 -4.75 118.16 117.47 2c7d n LYS 20 Ca 0.44 0.00 -0.12 0.00 -0.51 0.00 0.00 58.31 58.12 2c7d n LYS 20 Cb 0.07 -1.40 -0.12 0.00 -0.51 0.00 0.00 35.03 33.08 2c7d n LYS 20 CO 0.00 0.00 0.00 -1.54 -1.11 0.00 0.00 177.40 174.75 2c7d s SER 21 N -0.02 -0.10 0.13 4.39 1.04 -1.26 -1.47 113.70 116.41 2c7d s SER 21 Ca 0.00 0.15 -0.14 0.00 0.48 0.00 0.00 55.95 56.44 2c7d s SER 21 Cb 0.00 0.28 0.05 0.00 0.10 0.00 0.00 66.02 66.45 2c7d s SER 21 CO 0.00 -0.14 0.67 0.00 0.98 0.00 0.00 173.24 174.74 2c7d n ALA 22 N 2.55 -1.73 0.00 5.32 0.00 -0.61 -5.02 120.51 121.03 2c7d n ALA 22 Ca -0.15 -0.68 0.00 0.00 0.00 0.00 0.00 53.44 52.60 2c7d n ALA 22 Cb 0.58 0.39 0.00 0.00 0.00 0.00 0.00 19.45 20.42 2c7d n ALA 22 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2c7d n GLY 23 N -0.47 1.27 0.00 0.00 0.00 -1.26 -2.18 105.19 102.55 2c7d n GLY 23 Ca -0.02 -0.03 0.00 0.00 0.00 0.00 0.00 46.02 45.97 2c7d n GLY 23 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2c7d n GLY 24 N 0.00 4.38 0.08 -0.02 0.00 -1.26 -4.88 105.19 103.48 2c7d n GLY 24 Ca 0.00 -0.70 0.00 0.00 0.00 0.00 0.00 46.02 45.32 2c7d n GLY 24 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 2c7d n ILE 25 N 0.00 0.00 -1.66 -0.61 5.41 -1.24 -5.12 119.36 116.14 2c7d n ILE 25 Ca 0.00 0.00 -0.45 0.00 1.00 0.00 0.00 62.75 63.30 2c7d n ILE 25 Cb 0.00 -0.40 -0.03 0.00 -0.71 0.00 0.00 39.64 38.50 2c7d n ILE 25 CO 0.00 0.00 0.00 0.52 0.00 0.00 0.00 176.55 177.07 2c7d n VAL 26 N -2.25 0.84 -4.05 1.39 0.31 -0.93 -4.77 118.33 108.88 2c7d n VAL 26 Ca 0.00 -0.21 -0.35 0.00 -0.01 0.00 0.00 64.34 63.77 2c7d n VAL 26 Cb 0.35 -1.39 -0.08 0.00 -0.91 0.00 0.00 33.84 31.81 2c7d n VAL 26 CO 0.00 0.00 0.00 -0.22 -1.32 0.00 0.00 176.83 175.29 2c7d s LEU 27 N 0.24 3.94 0.11 7.52 0.20 -1.26 -1.58 118.68 127.85 2c7d s LEU 27 Ca 0.70 0.22 0.06 0.00 0.69 0.00 0.00 54.13 55.80 2c7d s LEU 27 Cb -0.68 -1.96 -0.04 0.00 -0.43 0.00 0.00 46.19 43.07 2c7d s LEU 27 CO 0.49 0.30 -0.06 0.28 -0.29 0.00 0.00 176.35 177.07 2c7d s THR 28 N -0.36 3.62 0.50 3.68 -1.32 -0.54 -4.99 115.64 116.22 2c7d s THR 28 Ca 0.09 -1.19 -0.08 0.00 -1.21 0.00 0.00 61.69 59.30 2c7d s THR 28 Cb -0.12 -2.72 0.12 0.00 -1.51 0.00 0.00 72.50 68.27 2c7d s THR 28 CO 0.02 0.09 0.64 0.61 -2.21 0.00 0.00 174.62 173.77 2c7d n GLY 29 N 0.58 -1.46 3.88 6.08 0.00 -1.26 -4.78 105.19 108.22 2c7d n GLY 29 Ca -0.12 -1.67 -0.30 0.00 0.00 0.00 0.00 46.02 43.93 2c7d n GLY 29 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2c7d s SER 30 N -3.35 6.55 0.00 1.61 0.01 -1.26 -5.01 113.70 112.25 2c7d s SER 30 Ca 0.37 1.03 0.00 0.00 1.31 0.00 0.00 55.95 58.66 2c7d s SER 30 Cb -0.01 -2.28 0.00 0.00 0.21 0.00 0.00 66.02 63.94 2c7d s SER 30 CO 0.26 -0.29 0.00 0.00 0.41 0.00 0.00 173.24 173.63 2c7d n ALA 31 N -0.94 1.73 0.00 1.44 0.00 -1.26 -5.05 120.51 116.43 2c7d n ALA 31 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.45 2c7d n ALA 31 Cb 0.54 0.15 0.00 0.00 0.00 0.00 0.00 19.45 20.14 2c7d n ALA 31 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2c7d n ALA 32 N -1.56 0.00 -1.58 0.00 0.00 -1.26 -5.15 120.51 110.96 2c7d n ALA 32 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 2c7d n ALA 32 Cb 0.31 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.76 2c7d n ALA 32 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2c7d n ALA 33 N -0.04 0.00 -2.41 0.00 0.00 -1.26 -5.17 120.51 111.63 2c7d n ALA 33 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 2c7d n ALA 33 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 2c7d n ALA 33 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 2c7d n LYS 34 N 0.00 0.00 -3.68 0.00 3.00 -1.26 -4.93 118.16 111.29 2c7d n LYS 34 Ca 0.00 0.00 -0.12 0.00 -0.00 0.00 0.00 58.31 58.19 2c7d n LYS 34 Cb 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 35.03 34.94 2c7d n LYS 34 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.40 176.28 2c7d s SER 35 N 1.59 -0.61 0.05 3.14 0.01 -1.26 -1.27 113.70 115.35 2c7d s SER 35 Ca 0.00 1.12 0.27 0.00 1.31 0.00 0.00 55.95 58.64 2c7d s SER 35 Cb 0.00 1.09 0.80 0.00 0.21 0.00 0.00 66.02 68.12 2c7d s SER 35 CO 0.00 -0.20 1.64 0.35 0.41 0.00 0.00 173.24 175.45 2c7d n THR 36 N 3.24 0.14 -3.22 1.44 -2.24 -1.26 -4.84 114.28 107.53 2c7d n THR 36 Ca -0.16 -0.09 -0.40 0.00 -2.27 0.00 0.00 64.05 61.13 2c7d n THR 36 Cb 0.56 -0.21 -0.07 0.00 -2.10 0.00 0.00 70.33 68.51 2c7d n THR 36 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 2c7d s ARG 37 N -3.04 4.05 0.00 -0.78 3.00 -1.26 -1.07 118.95 119.86 2c7d s ARG 37 Ca 0.11 0.32 0.06 0.00 0.00 0.00 0.00 55.73 56.23 2c7d s ARG 37 Cb 0.17 -3.66 -0.02 0.00 0.00 0.00 0.00 34.95 31.44 2c7d s ARG 37 CO 0.62 -0.37 -0.20 0.20 0.00 0.00 0.00 175.30 175.56 2c7d s GLY 38 N 1.55 1.01 -0.16 -3.53 0.00 -0.29 -0.97 107.32 104.93 2c7d s GLY 38 Ca 0.21 -0.91 -0.22 0.00 0.00 0.00 0.00 44.72 43.81 2c7d s GLY 38 CO 0.09 -0.79 0.65 1.85 0.00 0.00 0.00 173.10 174.90 2c7d s GLU 39 N -0.69 4.28 0.11 2.90 2.12 0.39 -0.34 118.70 127.47 2c7d s GLU 39 Ca 0.07 0.70 -0.31 0.00 0.36 0.00 0.00 54.97 55.79 2c7d s GLU 39 Cb -0.08 -3.54 -0.07 0.00 0.26 0.00 0.00 34.13 30.70 2c7d s GLU 39 CO 0.00 -0.16 1.29 0.08 -0.54 0.00 0.00 175.26 175.93 2c7d s VAL 40 N 1.62 3.61 -0.17 3.70 1.01 0.12 -0.99 120.40 129.30 2c7d s VAL 40 Ca 0.31 1.19 0.13 0.00 0.00 0.00 0.00 61.98 63.61 2c7d s VAL 40 Cb -0.16 -3.76 -0.20 0.00 0.00 0.00 0.00 36.38 32.26 2c7d s VAL 40 CO 0.12 0.11 0.03 0.18 0.00 0.00 0.00 175.10 175.54 2c7d n LEU 41 N 3.67 0.30 -3.57 3.92 4.77 0.40 -1.04 117.00 125.45 2c7d n LEU 41 Ca 0.09 -0.01 -0.15 0.00 -0.03 0.00 0.00 56.01 55.91 2c7d n LEU 41 Cb 0.44 0.29 -0.06 0.00 -2.33 0.00 0.00 43.42 41.76 2c7d n LEU 41 CO 0.57 0.45 0.49 0.00 -1.33 0.00 0.00 177.39 177.57 2c7d s ALA 42 N -2.40 -1.81 -0.05 -1.18 0.00 -0.65 -4.89 121.76 110.79 2c7d s ALA 42 Ca -0.10 1.64 0.05 0.00 0.00 0.00 0.00 51.96 53.55 2c7d s ALA 42 Cb 0.05 -0.59 -0.02 0.00 0.00 0.00 0.00 23.12 22.56 2c7d s ALA 42 CO 0.65 -0.34 -0.21 0.08 0.00 0.00 0.00 175.76 175.94 2c7d s VAL 43 N -0.53 2.49 1.26 0.00 1.01 -1.26 -0.67 120.40 122.70 2c7d s VAL 43 Ca -0.05 -0.93 -0.18 0.00 0.00 0.00 0.00 61.98 60.82 2c7d s VAL 43 Cb -0.02 -1.93 0.31 0.00 0.00 0.00 0.00 36.38 34.74 2c7d s VAL 43 CO 0.05 0.58 1.01 -0.83 0.00 0.00 0.00 175.10 175.90 2c7d s GLY 44 N -0.49 1.50 -0.59 4.51 0.00 -0.67 -4.72 107.32 106.86 2c7d s GLY 44 Ca 0.06 -0.57 -0.05 0.00 0.00 0.00 0.00 44.72 44.15 2c7d s GLY 44 CO 0.01 0.28 2.43 0.70 0.00 0.00 0.00 173.10 176.52 2c7d n ASN 45 N -5.11 4.75 0.00 1.64 4.13 -1.16 -4.80 115.26 114.70 2c7d n ASN 45 Ca 0.08 -2.27 0.00 0.00 1.68 0.00 0.00 54.58 54.07 2c7d n ASN 45 Cb 0.58 -1.08 0.00 0.00 -1.54 0.00 0.00 39.78 37.74 2c7d n ASN 45 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 2c7d n GLY 46 N 3.24 0.97 2.56 7.41 0.00 -1.26 -4.67 105.19 113.43 2c7d n GLY 46 Ca 0.41 -0.76 -0.29 0.00 0.00 0.00 0.00 46.02 45.39 2c7d n GLY 46 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2c7d s ARG 47 N 0.00 0.24 -0.37 1.61 3.52 0.06 -0.94 118.95 123.07 2c7d s ARG 47 Ca 0.00 -0.58 -0.04 0.00 -0.13 0.00 0.00 55.73 54.98 2c7d s ARG 47 Cb 0.00 -1.24 0.03 0.00 -1.56 0.00 0.00 34.95 32.17 2c7d s ARG 47 CO 0.00 -1.02 2.82 -0.89 -0.81 0.00 0.00 175.30 175.41 2c7d n ILE 48 N 5.21 3.21 -4.23 4.11 5.41 -1.26 -2.65 119.36 129.16 2c7d n ILE 48 Ca -0.06 -2.62 -0.23 0.00 1.00 0.00 0.00 62.75 60.84 2c7d n ILE 48 Cb 0.42 -1.63 -0.07 0.00 -0.71 0.00 0.00 39.64 37.66 2c7d n ILE 48 CO 0.00 0.00 0.00 -0.76 0.00 0.00 0.00 176.55 175.79 2c7d s LEU 49 N -1.80 3.37 0.00 1.39 1.43 -1.26 -4.71 118.68 117.10 2c7d s LEU 49 Ca 0.57 -0.50 0.00 0.00 -1.03 0.00 0.00 54.13 53.17 2c7d s LEU 49 Cb 0.36 -1.92 0.00 0.00 0.03 0.00 0.00 46.19 44.66 2c7d s LEU 49 CO -0.17 0.01 0.00 1.21 0.23 0.00 0.00 176.35 177.63 2c7d n GLU 50 N -0.82 0.00 0.00 1.70 4.07 -1.26 -4.58 120.64 119.74 2c7d n GLU 50 Ca -0.07 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 57.03 2c7d n GLU 50 Cb 0.58 -3.60 0.00 0.00 -0.06 0.00 0.00 31.44 28.36 2c7d n GLU 50 CO 0.00 0.00 0.00 -1.71 -0.06 0.00 0.00 177.13 175.36 2c7d n ASN 51 N 0.00 0.00 -4.58 4.31 5.15 -1.26 -4.85 115.26 114.03 2c7d n ASN 51 Ca 0.00 0.00 -0.33 0.00 -0.60 0.00 0.00 54.58 53.65 2c7d n ASN 51 Cb 0.00 0.00 -0.04 0.00 -0.53 0.00 0.00 39.78 39.21 2c7d n ASN 51 CO 0.00 0.00 0.00 -0.83 1.40 0.00 0.00 177.26 177.83 2c7d s GLY 52 N 0.00 0.62 0.05 8.20 0.00 -1.26 -4.79 107.32 110.14 2c7d s GLY 52 Ca 0.00 -2.27 0.00 0.00 0.00 0.00 0.00 44.72 42.45 2c7d s GLY 52 CO 0.00 3.27 0.00 1.18 0.00 0.00 0.00 173.10 177.55 2c7d n GLU 53 N 8.44 -0.47 -3.86 2.90 1.02 -1.26 -4.79 120.64 122.62 2c7d n GLU 53 Ca 0.44 0.31 -0.35 0.00 -0.02 0.00 0.00 57.16 57.54 2c7d n GLU 53 Cb 0.47 -0.57 -0.09 0.00 -0.02 0.00 0.00 31.44 31.23 2c7d n GLU 53 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 2c7d s VAL 54 N -0.44 5.12 0.20 2.62 1.01 -1.26 -4.76 120.40 122.88 2c7d s VAL 54 Ca 0.00 0.09 0.02 0.00 0.00 0.00 0.00 61.98 62.08 2c7d s VAL 54 Cb 0.00 -3.32 -0.04 0.00 0.00 0.00 0.00 36.38 33.02 2c7d s VAL 54 CO 0.00 0.45 0.36 -1.59 0.00 0.00 0.00 175.10 174.31 2c7d s LYS 55 N 0.38 3.47 0.90 2.72 0.00 -1.08 -4.90 119.74 121.22 2c7d s LYS 55 Ca 0.06 -0.53 -0.12 0.00 0.00 0.00 0.00 55.97 55.38 2c7d s LYS 55 Cb -0.12 -2.88 0.13 0.00 0.00 0.00 0.00 37.83 34.96 2c7d s LYS 55 CO -0.01 0.43 1.12 -1.25 0.00 0.00 0.00 175.35 175.65 2c7d s PRO 56 N -3.51 1.23 -0.07 1.78 0.04 -1.26 -0.76 135.00 132.45 2c7d s PRO 56 Ca 0.36 0.39 -0.02 0.00 0.04 0.00 0.00 61.00 61.76 2c7d s PRO 56 Cb -0.10 -1.84 -0.04 0.00 0.04 0.00 0.00 34.50 32.56 2c7d s PRO 56 CO 0.29 -2.15 0.05 -0.51 0.04 0.00 0.00 177.00 174.72 2c7d s LEU 57 N -6.04 3.82 0.00 -3.56 1.43 -1.26 -4.54 118.68 108.53 2c7d s LEU 57 Ca 0.63 0.20 0.19 0.00 -1.03 0.00 0.00 54.13 54.13 2c7d s LEU 57 Cb -0.15 -1.99 -0.12 0.00 0.03 0.00 0.00 46.19 43.95 2c7d s LEU 57 CO 0.54 0.35 0.88 -0.67 0.23 0.00 0.00 176.35 177.69 2c7d n ASP 58 N 1.83 1.30 -4.68 2.29 4.64 -1.26 -4.92 116.55 115.75 2c7d n ASP 58 Ca -0.17 -1.15 -0.31 0.00 -1.38 0.00 0.00 54.79 51.77 2c7d n ASP 58 Cb 0.54 0.78 0.16 0.00 -1.04 0.00 0.00 41.12 41.56 2c7d n ASP 58 CO 0.00 0.00 0.00 0.68 -0.82 0.00 0.00 177.20 177.06 2c7d s VAL 59 N -2.56 2.14 0.02 5.18 -7.23 -1.26 -5.08 120.40 111.62 2c7d s VAL 59 Ca 0.11 0.05 -0.11 0.00 -1.81 0.00 0.00 61.98 60.21 2c7d s VAL 59 Cb 0.15 -2.12 0.01 0.00 0.56 0.00 0.00 36.38 34.99 2c7d s VAL 59 CO 0.66 -0.06 0.24 -1.59 -0.31 0.00 0.00 175.10 174.04 2c7d s LYS 60 N -4.64 0.68 0.28 4.82 -2.85 -1.26 -5.01 119.74 111.76 2c7d s LYS 60 Ca 0.67 -0.46 -0.29 0.00 -1.00 0.00 0.00 55.97 54.88 2c7d s LYS 60 Cb -0.23 0.29 -0.10 0.00 -2.06 0.00 0.00 37.83 35.74 2c7d s LYS 60 CO 0.57 -0.19 1.12 0.08 0.10 0.00 0.00 175.35 177.03 2c7d s VAL 61 N -2.07 3.41 0.00 1.79 1.01 -1.26 -3.77 120.40 119.50 2c7d s VAL 61 Ca -0.09 1.42 0.00 0.00 0.00 0.00 0.00 61.98 63.31 2c7d s VAL 61 Cb -0.03 -3.90 0.00 0.00 0.00 0.00 0.00 36.38 32.45 2c7d s VAL 61 CO -0.01 0.34 0.00 0.61 0.00 0.00 0.00 175.10 176.04 2c7d n GLY 62 N 1.15 2.16 3.97 4.51 0.00 -0.20 -4.98 105.19 111.80 2c7d n GLY 62 Ca -0.01 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.80 2c7d n GLY 62 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2c7d s ASP 63 N -2.05 5.58 -0.46 1.61 1.01 -1.25 -4.70 116.67 116.41 2c7d s ASP 63 Ca 0.00 0.05 -0.12 0.00 0.71 0.00 0.00 52.55 53.19 2c7d s ASP 63 Cb 0.00 -1.14 0.09 0.00 1.01 0.00 0.00 42.92 42.89 2c7d s ASP 63 CO 0.00 -0.88 0.35 -0.63 0.21 0.00 0.00 175.17 174.23 2c7d s ILE 64 N -2.59 4.68 0.31 0.77 1.01 -1.26 -0.70 121.20 123.42 2c7d s ILE 64 Ca 0.53 -1.39 -0.09 0.00 0.00 0.00 0.00 60.65 59.70 2c7d s ILE 64 Cb -0.10 -3.90 -0.07 0.00 0.01 0.00 0.00 42.46 38.40 2c7d s ILE 64 CO 0.37 -0.64 0.64 0.68 0.00 0.00 0.00 174.94 176.00 2c7d s VAL 65 N 1.50 4.89 -0.36 2.92 -7.23 0.54 -4.59 120.40 118.07 2c7d s VAL 65 Ca 0.04 0.44 -0.13 0.00 -1.81 0.00 0.00 61.98 60.52 2c7d s VAL 65 Cb -0.25 -3.69 -0.00 0.00 0.56 0.00 0.00 36.38 33.00 2c7d s VAL 65 CO 0.03 -0.31 0.24 -0.63 -0.31 0.00 0.00 175.10 174.12 2c7d s ILE 66 N -2.10 5.09 0.12 -0.62 1.01 0.45 -1.13 121.20 124.03 2c7d s ILE 66 Ca 0.48 -0.44 0.08 0.00 0.00 0.00 0.00 60.65 60.76 2c7d s ILE 66 Cb -0.11 -3.70 -0.04 0.00 0.01 0.00 0.00 42.46 38.62 2c7d s ILE 66 CO 0.27 -0.11 -0.10 0.72 0.00 0.00 0.00 174.94 175.71 2c7d s PHE 67 N 1.67 2.70 -0.70 3.97 -0.12 -0.23 -0.55 117.98 124.73 2c7d s PHE 67 Ca 0.05 -0.18 -0.23 0.00 -0.05 0.00 0.00 56.93 56.52 2c7d s PHE 67 Cb -0.18 -1.39 0.07 0.00 -0.63 0.00 0.00 43.02 40.88 2c7d s PHE 67 CO 0.09 0.44 1.02 1.21 -0.05 0.00 0.00 175.22 177.94 2c7d s ASN 68 N -2.34 6.21 -0.20 1.98 3.04 -1.00 -4.56 114.94 118.07 2c7d s ASN 68 Ca 0.22 -1.01 -0.30 0.00 0.04 0.00 0.00 52.86 51.80 2c7d s ASN 68 Cb -0.11 -2.44 -0.08 0.00 -1.54 0.00 0.00 41.25 37.09 2c7d s ASN 68 CO 0.14 -1.46 2.15 -0.67 -3.04 0.00 0.00 177.10 174.21 2c7d n ASP 69 N 7.85 3.18 0.00 -4.21 -0.08 -1.26 -4.77 116.55 117.26 2c7d n ASP 69 Ca -0.00 0.42 0.00 0.00 -1.51 0.00 0.00 54.79 53.70 2c7d n ASP 69 Cb 0.46 -1.47 0.00 0.00 2.34 0.00 0.00 41.12 42.45 2c7d n ASP 69 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 2c7d n GLY 70 N 5.61 -0.65 0.35 0.27 0.00 -1.26 -5.06 105.19 104.45 2c7d n GLY 70 Ca 0.30 -0.92 0.33 0.00 0.00 0.00 0.00 46.02 45.73 2c7d n GLY 70 CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 2c7d h TYR 71 N 0.00 0.78 0.00 1.61 3.20 -2.05 0.64 116.97 121.14 2c7d h TYR 71 Ca 0.00 0.04 -0.08 0.00 3.14 0.00 0.00 58.73 61.83 2c7d h TYR 71 Cb 0.00 -0.18 -0.01 0.00 1.54 0.00 0.00 36.73 38.08 2c7d h TYR 71 CO 0.00 -0.40 -0.36 0.78 -1.64 0.00 0.00 178.16 176.54 2c7d h GLY 72 N 0.04 0.00 -4.96 1.82 0.00 -1.97 -3.45 103.07 94.55 2c7d h GLY 72 Ca 0.84 0.00 -0.57 0.00 0.00 0.00 0.00 47.33 47.60 2c7d h GLY 72 CO -0.69 0.00 0.66 0.14 0.00 0.00 0.00 176.54 176.65 2c7d s VAL 73 N -3.31 4.74 -0.34 4.60 1.01 0.21 -4.64 120.40 122.68 2c7d s VAL 73 Ca 0.02 2.00 -0.06 0.00 0.00 0.00 0.00 61.98 63.94 2c7d s VAL 73 Cb 0.09 -4.30 0.04 0.00 0.00 0.00 0.00 36.38 32.21 2c7d s VAL 73 CO 0.69 -0.08 0.10 -0.54 0.00 0.00 0.00 175.10 175.27 2c7d s LYS 74 N 2.60 2.63 0.03 2.72 -0.14 0.19 -4.85 119.74 122.93 2c7d s LYS 74 Ca 0.45 -1.17 -0.30 0.00 -1.36 0.00 0.00 55.97 53.59 2c7d s LYS 74 Cb -0.17 -3.45 -0.04 0.00 -1.68 0.00 0.00 37.83 32.49 2c7d s LYS 74 CO 0.12 -0.66 1.00 0.45 -0.76 0.00 0.00 175.35 175.50 2c7d s SER 75 N 1.41 7.36 0.06 2.83 0.15 -1.26 -1.07 113.70 123.18 2c7d s SER 75 Ca -0.02 1.74 0.02 0.00 0.70 0.00 0.00 55.95 58.39 2c7d s SER 75 Cb -0.19 -2.58 -0.03 0.00 -1.71 0.00 0.00 66.02 61.51 2c7d s SER 75 CO 0.03 -0.24 -0.08 -1.61 1.20 0.00 0.00 173.24 172.54 2c7d s GLU 76 N 0.77 0.63 -0.32 5.44 0.41 0.24 -4.97 118.70 120.90 2c7d s GLU 76 Ca 0.52 -0.92 0.01 0.00 -0.41 0.00 0.00 54.97 54.16 2c7d s GLU 76 Cb -0.23 -0.31 0.07 0.00 -1.78 0.00 0.00 34.13 31.88 2c7d s GLU 76 CO 0.29 0.04 0.01 0.21 -0.49 0.00 0.00 175.26 175.32 2c7d s LYS 77 N -2.16 2.10 -0.20 1.61 2.47 -1.26 -0.56 119.74 121.74 2c7d s LYS 77 Ca -0.04 -1.51 -0.04 0.00 -1.56 0.00 0.00 55.97 52.82 2c7d s LYS 77 Cb -0.06 -3.17 -0.02 0.00 -1.46 0.00 0.00 37.83 33.12 2c7d s LYS 77 CO -0.01 -0.75 -0.04 0.42 0.16 0.00 0.00 175.35 175.13 2c7d s ILE 78 N 1.12 3.53 0.00 5.43 1.09 -0.56 -4.66 121.20 127.14 2c7d s ILE 78 Ca -0.00 -0.46 0.00 0.00 -1.10 0.00 0.00 60.65 59.09 2c7d s ILE 78 Cb -0.20 -2.58 0.00 0.00 -1.06 0.00 0.00 42.46 38.62 2c7d s ILE 78 CO -0.04 0.45 0.00 0.47 -0.10 0.00 0.00 174.94 175.71 2c7d n ASP 79 N 4.34 0.00 0.00 3.58 8.00 -1.26 -0.85 116.55 130.37 2c7d n ASP 79 Ca -0.18 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.32 2c7d n ASP 79 Cb 0.52 -0.23 0.00 0.00 -0.02 0.00 0.00 41.12 41.38 2c7d n ASP 79 CO 0.00 0.00 0.00 -3.20 -0.39 0.00 0.00 177.20 173.61 2c7d n ASN 80 N 0.09 0.00 -4.86 -2.24 5.15 -1.26 -5.17 115.26 106.98 2c7d n ASN 80 Ca 0.00 0.00 -0.31 0.00 -0.60 0.00 0.00 54.58 53.67 2c7d n ASN 80 Cb 0.00 0.00 -0.01 0.00 -0.53 0.00 0.00 39.78 39.24 2c7d n ASN 80 CO 0.00 0.00 0.00 -1.61 1.40 0.00 0.00 177.26 177.05 2c7d s GLU 81 N 0.00 3.74 -0.06 1.20 8.01 -0.03 -4.99 118.70 126.58 2c7d s GLU 81 Ca 0.00 0.79 -0.30 0.00 0.01 0.00 0.00 54.97 55.47 2c7d s GLU 81 Cb 0.00 -2.13 -0.04 0.00 -4.31 0.00 0.00 34.13 27.65 2c7d s GLU 81 CO 0.00 -0.42 1.38 -1.21 0.01 0.00 0.00 175.26 175.02 2c7d s GLU 82 N -4.69 4.27 0.34 1.61 0.41 -1.26 -1.50 118.70 117.88 2c7d s GLU 82 Ca 0.56 1.88 0.03 0.00 -0.41 0.00 0.00 54.97 57.04 2c7d s GLU 82 Cb -0.11 -3.68 -0.04 0.00 -1.78 0.00 0.00 34.13 28.53 2c7d s GLU 82 CO 0.44 -0.63 0.13 0.14 -0.49 0.00 0.00 175.26 174.86 2c7d s VAL 83 N 2.89 0.55 -0.02 2.63 -7.23 0.28 -4.68 120.40 114.82 2c7d s VAL 83 Ca 0.62 -2.00 -0.06 0.00 -1.81 0.00 0.00 61.98 58.72 2c7d s VAL 83 Cb -0.28 -2.50 0.00 0.00 0.56 0.00 0.00 36.38 34.16 2c7d s VAL 83 CO 0.23 0.00 0.14 -0.76 -0.31 0.00 0.00 175.10 174.40 2c7d s LEU 84 N -3.47 1.53 -0.10 1.32 1.02 0.26 -0.59 118.68 118.66 2c7d s LEU 84 Ca 0.32 -0.06 0.03 0.00 0.02 0.00 0.00 54.13 54.44 2c7d s LEU 84 Cb 0.05 0.61 -0.01 0.00 0.02 0.00 0.00 46.19 46.86 2c7d s LEU 84 CO 0.16 -0.27 -0.20 -0.63 0.02 0.00 0.00 176.35 175.44 2c7d s ILE 85 N -0.94 2.49 0.00 -0.59 1.01 -0.23 -0.89 121.20 122.05 2c7d s ILE 85 Ca -0.10 -0.88 0.00 0.00 0.00 0.00 0.00 60.65 59.67 2c7d s ILE 85 Cb -0.06 -1.98 0.00 0.00 0.01 0.00 0.00 42.46 40.43 2c7d s ILE 85 CO 0.01 0.55 0.00 1.15 0.00 0.00 0.00 174.94 176.65 2c7d n MET 86 N 3.30 0.00 -4.45 2.79 0.00 -0.50 -0.64 117.12 117.62 2c7d n MET 86 Ca -0.18 0.00 -0.22 0.00 0.00 0.00 0.00 57.70 57.29 2c7d n MET 86 Cb 0.53 0.00 -0.10 0.00 0.00 0.00 0.00 33.22 33.64 2c7d n MET 86 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 175.97 174.85 2c7d s SER 87 N 1.23 3.01 0.48 3.17 0.01 -1.26 0.05 113.70 120.39 2c7d s SER 87 Ca 0.00 -1.18 0.14 0.00 1.31 0.00 0.00 55.95 56.21 2c7d s SER 87 Cb 0.00 -0.21 1.13 0.00 0.21 0.00 0.00 66.02 67.15 2c7d s SER 87 CO 0.00 -0.29 2.10 -0.08 0.41 0.00 0.00 173.24 175.38 2c7d h GLU 88 N 2.23 0.13 -0.11 12.44 4.81 -1.21 -1.72 114.58 131.14 2c7d h GLU 88 Ca -0.40 -0.01 0.03 0.00 -0.13 0.00 0.00 59.36 58.85 2c7d h GLU 88 Cb 1.24 -0.03 -0.00 0.00 0.63 0.00 0.00 28.75 30.59 2c7d h GLU 88 CO 0.67 0.12 0.23 0.77 -0.73 0.00 0.00 179.01 180.07 2c7d h SER 89 N 0.13 0.00 0.39 1.04 0.02 -1.96 -1.22 113.55 111.96 2c7d h SER 89 Ca 0.03 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.98 2c7d h SER 89 Cb 0.04 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.58 2c7d h SER 89 CO -0.00 0.00 -0.39 0.47 -1.14 0.00 0.00 176.83 175.77 2c7d n ASP 90 N -3.34 0.72 -4.84 3.07 8.00 -0.65 -4.96 116.55 114.56 2c7d n ASP 90 Ca 0.00 -0.53 -0.37 0.00 0.71 0.00 0.00 54.79 54.61 2c7d n ASP 90 Cb 0.33 0.19 -0.06 0.00 -0.02 0.00 0.00 41.12 41.55 2c7d n ASP 90 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 2c7d s ILE 91 N -2.78 5.43 -0.22 0.53 1.01 -0.46 -2.38 121.20 122.33 2c7d s ILE 91 Ca 0.17 0.28 0.05 0.00 0.00 0.00 0.00 60.65 61.16 2c7d s ILE 91 Cb 0.18 -3.46 -0.20 0.00 0.01 0.00 0.00 42.46 38.99 2c7d s ILE 91 CO 0.62 0.56 -0.06 0.18 0.00 0.00 0.00 174.94 176.24 2c7d n LEU 92 N 2.39 2.14 -3.59 2.97 4.77 0.28 -5.00 117.00 120.97 2c7d n LEU 92 Ca -0.18 -0.05 -0.05 0.00 -0.03 0.00 0.00 56.01 55.71 2c7d n LEU 92 Cb 0.54 -0.55 -0.02 0.00 -2.33 0.00 0.00 43.42 41.06 2c7d n LEU 92 CO 0.33 0.80 0.89 0.00 -1.33 0.00 0.00 177.39 178.09 2c7d s ALA 93 N -2.52 -1.98 0.00 -1.18 0.00 -1.23 -5.03 121.76 109.82 2c7d s ALA 93 Ca -0.26 1.16 0.00 0.00 0.00 0.00 0.00 51.96 52.85 2c7d s ALA 93 Cb 0.08 0.18 0.00 0.00 0.00 0.00 0.00 23.12 23.38 2c7d s ALA 93 CO 0.68 -0.73 0.00 -0.89 0.00 0.00 0.00 175.76 174.82 2c7d n ILE 94 N -0.23 0.00 0.00 0.00 5.41 -1.26 -0.41 119.36 122.87 2c7d n ILE 94 Ca -0.04 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.71 2c7d n ILE 94 Cb 0.60 0.00 0.00 0.00 -0.71 0.00 0.00 39.64 39.53 2c7d n ILE 94 CO 0.00 0.00 0.00 0.52 0.00 0.00 0.00 176.55 177.07