#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1n64 s ILE 2 N 0.00 4.03 -0.09 0.53 1.09 -1.26 -5.01 121.20 120.49 1n64 s ILE 2 Ca 0.00 1.65 -0.13 0.00 -1.10 0.00 0.00 60.65 61.07 1n64 s ILE 2 Cb 0.00 -4.05 -0.05 0.00 -1.06 0.00 0.00 42.46 37.30 1n64 s ILE 2 CO 0.00 0.24 0.32 -0.69 -0.10 0.00 0.00 174.94 174.71 1n64 s VAL 3 N 0.16 5.23 -0.22 2.92 1.01 -1.26 -4.76 120.40 123.48 1n64 s VAL 3 Ca 0.51 0.63 -0.04 0.00 0.00 0.00 0.00 61.98 63.08 1n64 s VAL 3 Cb -0.28 -3.63 -0.01 0.00 0.00 0.00 0.00 36.38 32.45 1n64 s VAL 3 CO 0.33 0.50 -0.04 -0.04 0.00 0.00 0.00 175.10 175.84 1n64 s MET 4 N -0.39 3.39 -0.29 2.72 -1.94 -1.26 -0.75 119.30 120.78 1n64 s MET 4 Ca 0.20 -0.62 -0.06 0.00 -1.71 0.00 0.00 55.69 53.49 1n64 s MET 4 Cb -0.14 -3.00 0.01 0.00 2.01 0.00 0.00 34.83 33.70 1n64 s MET 4 CO 0.08 -0.18 0.07 -1.12 -0.01 0.00 0.00 175.02 173.86 1n64 s SER 5 N 1.42 5.05 0.04 3.03 0.01 0.81 -4.41 113.70 119.65 1n64 s SER 5 Ca 0.05 -0.69 0.01 0.00 1.31 0.00 0.00 55.95 56.63 1n64 s SER 5 Cb -0.14 -1.86 -0.04 0.00 0.21 0.00 0.00 66.02 64.19 1n64 s SER 5 CO -0.03 -0.18 0.09 -1.10 0.41 0.00 0.00 173.24 172.44 1n64 s GLN 6 N 1.49 3.03 -0.22 12.44 -0.21 -1.26 -0.22 119.66 134.71 1n64 s GLN 6 Ca 0.03 -0.56 -0.26 0.00 0.02 0.00 0.00 55.36 54.59 1n64 s GLN 6 Cb -0.17 -2.83 0.07 0.00 1.00 0.00 0.00 33.01 31.08 1n64 s GLN 6 CO 0.02 0.61 0.69 0.45 -2.12 0.00 0.00 175.29 174.94 1n64 s SER 7 N -2.07 -0.71 0.35 5.90 0.15 -0.86 -4.56 113.70 111.89 1n64 s SER 7 Ca 0.27 1.27 -0.06 0.00 0.70 0.00 0.00 55.95 58.13 1n64 s SER 7 Cb -0.12 1.25 -0.05 0.00 -1.71 0.00 0.00 66.02 65.39 1n64 s SER 7 CO 0.19 -0.32 0.64 -2.16 1.20 0.00 0.00 173.24 172.79 1n64 s PRO 8 N 0.06 3.65 0.52 5.44 0.04 -1.26 -1.43 135.00 142.01 1n64 s PRO 8 Ca -0.02 0.12 0.25 0.00 0.04 0.00 0.00 61.00 61.39 1n64 s PRO 8 Cb -0.04 -2.55 1.35 0.00 0.04 0.00 0.00 34.50 33.30 1n64 s PRO 8 CO 0.03 0.09 1.73 0.66 0.04 0.00 0.00 177.00 179.55 1n64 h SER 9 N 1.32 0.00 -4.29 6.66 4.64 -1.81 -3.42 113.55 116.65 1n64 h SER 9 Ca -0.48 0.00 -0.07 0.00 -0.47 0.00 0.00 61.79 60.77 1n64 h SER 9 Cb 1.19 0.00 -0.21 0.00 -0.31 0.00 0.00 62.40 63.07 1n64 h SER 9 CO 0.65 0.00 0.03 -0.94 -0.87 0.00 0.00 176.83 175.69 1n64 s SER 10 N -4.12 -0.61 -0.01 4.97 1.04 -1.26 -1.92 113.70 111.78 1n64 s SER 10 Ca -0.03 1.02 0.00 0.00 0.48 0.00 0.00 55.95 57.43 1n64 s SER 10 Cb 0.07 1.01 0.01 0.00 0.10 0.00 0.00 66.02 67.21 1n64 s SER 10 CO 0.23 -0.33 -0.01 -0.22 0.98 0.00 0.00 173.24 173.89 1n64 s LEU 11 N -0.17 1.59 -0.22 2.42 0.20 0.23 -4.90 118.68 117.81 1n64 s LEU 11 Ca -0.04 -0.02 0.02 0.00 0.69 0.00 0.00 54.13 54.78 1n64 s LEU 11 Cb -0.03 -0.14 0.04 0.00 -0.43 0.00 0.00 46.19 45.62 1n64 s LEU 11 CO 0.03 -0.04 -0.14 0.00 -0.29 0.00 0.00 176.35 175.92 1n64 s ALA 12 N 0.48 2.37 0.20 5.97 0.00 -1.26 -0.75 121.76 128.77 1n64 s ALA 12 Ca -0.04 -1.47 0.06 0.00 0.00 0.00 0.00 51.96 50.51 1n64 s ALA 12 Cb -0.07 -1.39 -0.05 0.00 0.00 0.00 0.00 23.12 21.61 1n64 s ALA 12 CO -0.01 -0.85 -0.11 0.54 0.00 0.00 0.00 175.76 175.33 1n64 s VAL 13 N 1.23 1.52 0.07 0.00 0.11 -0.66 -4.92 120.40 117.76 1n64 s VAL 13 Ca -0.03 -2.15 0.01 0.00 -2.93 0.00 0.00 61.98 56.89 1n64 s VAL 13 Cb -0.17 -2.06 -0.04 0.00 -1.53 0.00 0.00 36.38 32.58 1n64 s VAL 13 CO -0.08 -0.58 0.16 -0.44 -3.33 0.00 0.00 175.10 170.83 1n64 s SER 14 N -3.29 6.01 0.39 3.54 0.01 -1.26 -0.30 113.70 118.80 1n64 s SER 14 Ca 0.22 0.15 -0.23 0.00 1.31 0.00 0.00 55.95 57.40 1n64 s SER 14 Cb 0.01 -1.76 -0.14 0.00 0.21 0.00 0.00 66.02 64.34 1n64 s SER 14 CO 0.06 0.16 0.45 0.00 0.41 0.00 0.00 173.24 174.32 1n64 n ALA 15 N 0.30 -1.95 0.00 1.44 0.00 -1.26 -1.70 120.51 117.34 1n64 n ALA 15 Ca -0.07 0.19 0.00 0.00 0.00 0.00 0.00 53.44 53.56 1n64 n ALA 15 Cb 0.51 -1.70 0.00 0.00 0.00 0.00 0.00 19.45 18.27 1n64 n ALA 15 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1n64 n GLY 16 N 1.92 2.81 3.75 0.00 0.00 -0.09 -4.91 105.19 108.66 1n64 n GLY 16 Ca 0.12 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.85 1n64 n GLY 16 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1n64 s GLU 17 N -0.09 1.37 -0.12 1.61 2.02 -0.69 -4.39 118.70 118.40 1n64 s GLU 17 Ca 0.00 0.63 -0.03 0.00 0.02 0.00 0.00 54.97 55.59 1n64 s GLU 17 Cb 0.00 -1.84 -0.03 0.00 0.10 0.00 0.00 34.13 32.36 1n64 s GLU 17 CO 0.00 -2.12 -0.01 0.21 0.02 0.00 0.00 175.26 173.36 1n64 s LYS 18 N -5.07 3.33 0.07 1.61 2.36 -1.04 -1.04 119.74 119.97 1n64 s LYS 18 Ca 0.63 -0.46 0.05 0.00 -2.55 0.00 0.00 55.97 53.65 1n64 s LYS 18 Cb -0.16 -2.86 -0.03 0.00 -1.05 0.00 0.00 37.83 33.72 1n64 s LYS 18 CO 0.56 0.48 -0.15 0.54 1.55 0.00 0.00 175.35 178.32 1n64 s VAL 19 N -0.26 1.17 -0.01 4.02 0.11 0.38 -5.00 120.40 120.81 1n64 s VAL 19 Ca 0.05 -1.29 0.00 0.00 -2.93 0.00 0.00 61.98 57.82 1n64 s VAL 19 Cb -0.12 -1.11 0.01 0.00 -1.53 0.00 0.00 36.38 33.62 1n64 s VAL 19 CO 0.02 -0.18 0.00 0.28 -3.33 0.00 0.00 175.10 171.90 1n64 s THR 20 N -1.20 0.01 0.01 5.04 -1.32 -1.26 -0.62 115.64 116.30 1n64 s THR 20 Ca -0.01 0.04 0.04 0.00 -1.21 0.00 0.00 61.69 60.56 1n64 s THR 20 Cb -0.10 -0.05 -0.02 0.00 -1.51 0.00 0.00 72.50 70.83 1n64 s THR 20 CO 0.02 0.03 -0.13 0.00 -2.21 0.00 0.00 174.62 172.34 1n64 s MET 21 N 0.28 0.92 0.30 7.08 0.23 -0.39 -4.91 119.30 122.81 1n64 s MET 21 Ca -0.02 -0.58 0.07 0.00 -1.03 0.00 0.00 55.69 54.12 1n64 s MET 21 Cb -0.04 -0.90 -0.02 0.00 -1.53 0.00 0.00 34.83 32.34 1n64 s MET 21 CO -0.01 0.23 0.35 -1.54 -2.03 0.00 0.00 175.02 172.02 1n64 s SER 22 N -0.71 5.74 -0.20 -1.18 1.04 -0.51 -0.68 113.70 117.19 1n64 s SER 22 Ca 0.03 -0.25 -0.10 0.00 0.48 0.00 0.00 55.95 56.11 1n64 s SER 22 Cb -0.06 -1.29 0.08 0.00 0.10 0.00 0.00 66.02 64.85 1n64 s SER 22 CO 0.00 -0.28 0.47 0.00 0.98 0.00 0.00 173.24 174.42 1n64 s LYS 24 N 1.94 1.67 0.10 0.00 3.01 0.69 -0.69 119.74 126.46 1n64 s LYS 24 Ca -0.07 -0.59 -0.03 0.00 -1.01 0.00 0.00 55.97 54.27 1n64 s LYS 24 Cb -0.09 -1.47 -0.05 0.00 -1.01 0.00 0.00 37.83 35.20 1n64 s LYS 24 CO -0.14 0.25 0.31 -1.54 0.51 0.00 0.00 175.35 174.74 1n64 s SER 25 N -0.01 6.44 0.17 2.83 1.04 0.17 -0.13 113.70 124.22 1n64 s SER 25 Ca -0.02 0.47 0.15 0.00 0.48 0.00 0.00 55.95 57.03 1n64 s SER 25 Cb -0.11 -2.04 0.72 0.00 0.10 0.00 0.00 66.02 64.69 1n64 s SER 25 CO 0.02 0.11 1.45 -1.54 0.98 0.00 0.00 173.24 174.26 1n64 n SER 26 N 0.25 0.34 -3.77 7.02 3.41 0.07 -4.76 113.62 116.18 1n64 n SER 26 Ca -0.04 0.63 -0.07 0.00 -0.26 0.00 0.00 58.87 59.13 1n64 n SER 26 Cb 0.52 -0.69 -0.02 0.00 -0.26 0.00 0.00 64.21 63.76 1n64 n SER 26 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1n64 s GLN 27 N -3.28 1.56 0.17 4.33 -2.07 -1.26 -4.95 119.66 114.16 1n64 s GLN 27 Ca 0.01 -0.83 -0.03 0.00 -1.82 0.00 0.00 55.36 52.69 1n64 s GLN 27 Cb 0.05 0.56 0.04 0.00 -1.09 0.00 0.00 33.01 32.57 1n64 s GLN 27 CO 0.18 -0.71 0.10 0.45 -1.32 0.00 0.00 175.29 173.99 1n64 n SER 27 N -0.44 -2.13 -1.12 12.60 2.88 -1.26 -4.62 113.62 119.52 1n64 n SER 27 Ca -0.06 -0.15 0.00 0.00 -1.33 0.00 0.00 58.87 57.32 1n64 n SER 27 Cb 0.60 -0.12 0.00 0.00 -0.75 0.00 0.00 64.21 63.95 1n64 n SER 27 CO 0.00 0.00 0.00 -0.11 -1.23 0.00 0.00 175.04 173.70 1n64 n LEU 27 N 0.00 -4.60 -4.44 2.46 0.00 -1.26 -5.00 117.00 104.16 1n64 n LEU 27 Ca 0.02 1.97 -0.43 0.00 0.00 0.00 0.00 56.01 57.56 1n64 n LEU 27 Cb 0.07 -1.50 -0.10 0.00 0.00 0.00 0.00 43.42 41.89 1n64 n LEU 27 CO 0.05 -0.37 -0.07 0.21 0.00 0.00 0.00 177.39 177.21 1n64 s ASN 27 N -1.64 6.05 0.29 1.96 3.84 -0.80 -4.97 114.94 119.67 1n64 s ASN 27 Ca 0.00 -0.97 0.22 0.00 0.21 0.00 0.00 52.86 52.32 1n64 s ASN 27 Cb 0.00 -2.14 1.07 0.00 -0.55 0.00 0.00 41.25 39.63 1n64 s ASN 27 CO 0.00 -0.47 1.68 -1.54 -2.79 0.00 0.00 177.10 173.98 1n64 n SER 27 N 5.14 0.61 0.04 -4.21 3.41 -1.26 0.12 113.62 117.47 1n64 n SER 27 Ca -0.11 0.71 -0.22 0.00 -0.26 0.00 0.00 58.87 58.99 1n64 n SER 27 Cb 0.46 -0.82 -0.14 0.00 -0.26 0.00 0.00 64.21 63.45 1n64 n SER 27 CO 0.00 0.00 0.00 0.03 -0.16 0.00 0.00 175.04 174.91 1n64 h ARG 27 N 0.00 0.33 0.00 4.33 2.47 -1.97 -3.34 114.38 116.20 1n64 h ARG 27 Ca 0.00 -0.57 -0.05 0.00 -1.26 0.00 0.00 59.98 58.10 1n64 h ARG 27 Cb 0.18 0.21 -0.01 0.00 -1.65 0.00 0.00 29.97 28.70 1n64 h ARG 27 CO 0.00 1.27 -1.24 0.25 0.56 0.00 0.00 179.97 180.82 1n64 n THR 28 N -3.55 0.72 -3.42 2.04 -2.24 -1.15 -4.98 114.28 101.70 1n64 n THR 28 Ca -0.28 -0.59 -0.19 0.00 -2.27 0.00 0.00 64.05 60.72 1n64 n THR 28 Cb 1.06 -0.41 0.08 0.00 -2.10 0.00 0.00 70.33 68.96 1n64 n THR 28 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 1n64 n ARG 29 N -2.69 -6.76 -4.11 -0.78 1.74 0.33 -5.02 116.66 99.36 1n64 n ARG 29 Ca -0.04 0.77 -0.15 0.00 -0.77 0.00 0.00 57.85 57.67 1n64 n ARG 29 Cb 0.64 -5.62 -0.12 0.00 -1.02 0.00 0.00 32.46 26.34 1n64 n ARG 29 CO 0.00 0.00 0.00 0.15 -1.52 0.00 0.00 177.63 176.26 1n64 s LYS 30 N -5.75 0.60 -0.23 5.56 1.02 -1.16 -4.94 119.74 114.83 1n64 s LYS 30 Ca 0.28 -0.75 -0.09 0.00 0.02 0.00 0.00 55.97 55.43 1n64 s LYS 30 Cb -0.12 -0.44 -0.04 0.00 -0.52 0.00 0.00 37.83 36.70 1n64 s LYS 30 CO 0.67 0.09 0.12 -0.80 -0.92 0.00 0.00 175.35 174.51 1n64 s ASN 31 N -1.48 5.72 -1.27 2.83 -0.87 -1.26 -1.91 114.94 116.71 1n64 s ASN 31 Ca -0.07 0.00 -0.10 0.00 -1.57 0.00 0.00 52.86 51.12 1n64 s ASN 31 Cb -0.09 -2.02 0.17 0.00 -0.02 0.00 0.00 41.25 39.28 1n64 s ASN 31 CO 0.01 0.05 1.79 -1.22 -2.57 0.00 0.00 177.10 175.15 1n64 n TYR 32 N 4.38 3.35 -4.99 2.20 4.02 -1.26 -2.43 117.16 122.43 1n64 n TYR 32 Ca -0.16 -2.90 -0.28 0.00 -0.01 0.00 0.00 57.90 54.55 1n64 n TYR 32 Cb 0.52 -2.00 -0.16 0.00 -0.02 0.00 0.00 39.34 37.68 1n64 n TYR 32 CO 0.00 0.00 0.00 -1.17 -1.01 0.00 0.00 176.86 174.68 1n64 s LEU 33 N 0.20 1.97 0.16 7.72 1.98 -1.26 -0.58 118.68 128.87 1n64 s LEU 33 Ca 0.40 -0.41 0.08 0.00 -2.89 0.00 0.00 54.13 51.31 1n64 s LEU 33 Cb 0.07 -1.12 -0.04 0.00 0.66 0.00 0.00 46.19 45.76 1n64 s LEU 33 CO 0.00 0.18 -0.17 0.00 -1.89 0.00 0.00 176.35 174.48 1n64 s ALA 34 N 0.00 1.86 -0.10 5.97 0.00 0.14 -0.48 121.76 129.15 1n64 s ALA 34 Ca -0.05 -1.46 0.03 0.00 0.00 0.00 0.00 51.96 50.49 1n64 s ALA 34 Cb -0.13 -0.14 0.00 0.00 0.00 0.00 0.00 23.12 22.86 1n64 s ALA 34 CO 0.03 0.18 -0.22 -1.58 0.00 0.00 0.00 175.76 174.17 1n64 s TRP 35 N -2.19 2.41 0.11 0.00 0.52 0.08 0.16 118.94 120.03 1n64 s TRP 35 Ca 0.15 -1.03 0.10 0.00 0.02 0.00 0.00 56.10 55.34 1n64 s TRP 35 Cb -0.05 -1.63 -0.04 0.00 -1.15 0.00 0.00 33.47 30.60 1n64 s TRP 35 CO 0.06 -0.44 -0.26 0.71 0.02 0.00 0.00 176.95 177.04 1n64 s TYR 36 N 0.50 2.21 -0.16 -1.98 1.51 0.65 0.04 117.35 120.12 1n64 s TYR 36 Ca -0.16 -0.39 -0.02 0.00 -1.01 0.00 0.00 57.07 55.49 1n64 s TYR 36 Cb -0.17 -1.22 -0.01 0.00 -0.11 0.00 0.00 41.96 40.45 1n64 s TYR 36 CO 0.06 0.28 -0.09 -1.14 -1.11 0.00 0.00 175.55 173.55 1n64 s GLN 37 N -1.90 3.43 -0.21 -0.62 0.74 0.15 -1.57 119.66 119.68 1n64 s GLN 37 Ca 0.12 -0.64 0.00 0.00 0.05 0.00 0.00 55.36 54.90 1n64 s GLN 37 Cb -0.10 -2.79 0.05 0.00 1.10 0.00 0.00 33.01 31.27 1n64 s GLN 37 CO 0.05 0.09 -0.07 -1.14 -0.55 0.00 0.00 175.29 173.67 1n64 s GLN 38 N 0.71 1.69 0.32 1.67 0.74 -0.83 -0.55 119.66 123.41 1n64 s GLN 38 Ca -0.04 -0.82 -0.03 0.00 0.05 0.00 0.00 55.36 54.52 1n64 s GLN 38 Cb -0.15 -2.39 -0.04 0.00 1.10 0.00 0.00 33.01 31.53 1n64 s GLN 38 CO 0.02 -0.51 0.56 0.15 -0.55 0.00 0.00 175.29 174.97 1n64 s LYS 39 N 1.46 3.56 0.16 1.67 1.02 -1.26 -2.30 119.74 124.05 1n64 s LYS 39 Ca -0.03 -0.13 -0.33 0.00 0.02 0.00 0.00 55.97 55.50 1n64 s LYS 39 Cb -0.17 -2.64 -0.16 0.00 -0.52 0.00 0.00 37.83 34.34 1n64 s LYS 39 CO -0.07 0.16 1.17 -2.30 -0.92 0.00 0.00 175.35 173.38 1n64 n PRO 40 N -1.38 1.13 -0.83 -1.68 -0.02 -1.26 -1.21 135.00 129.75 1n64 n PRO 40 Ca -0.03 0.40 0.00 0.00 -2.02 0.00 0.00 63.50 61.85 1n64 n PRO 40 Cb 0.55 -1.90 0.00 0.00 -0.02 0.00 0.00 33.50 32.12 1n64 n PRO 40 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1n64 n GLY 41 N 2.04 0.37 3.84 -1.23 0.00 -1.26 -4.98 105.19 103.97 1n64 n GLY 41 Ca 0.15 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.91 1n64 n GLY 41 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1n64 s GLN 42 N -0.74 2.27 0.11 1.61 -0.21 -0.35 -5.14 119.66 117.21 1n64 s GLN 42 Ca 0.00 -1.98 0.03 0.00 0.02 0.00 0.00 55.36 53.43 1n64 s GLN 42 Cb 0.00 -2.02 -0.04 0.00 1.00 0.00 0.00 33.01 31.96 1n64 s GLN 42 CO 0.00 -0.40 0.16 -1.54 -2.12 0.00 0.00 175.29 171.39 1n64 s SER 43 N -4.11 5.85 0.70 5.90 1.04 -1.26 -4.72 113.70 117.10 1n64 s SER 43 Ca 0.33 0.05 -0.16 0.00 0.48 0.00 0.00 55.95 56.65 1n64 s SER 43 Cb -0.00 -1.65 0.01 0.00 0.10 0.00 0.00 66.02 64.48 1n64 s SER 43 CO 0.20 0.12 1.19 -2.65 0.98 0.00 0.00 173.24 173.07 1n64 n PRO 44 N -0.00 0.76 -3.99 4.02 -0.02 -1.26 -4.70 135.00 129.81 1n64 n PRO 44 Ca -0.07 0.32 -0.16 0.00 -2.02 0.00 0.00 63.50 61.57 1n64 n PRO 44 Cb 0.53 -2.43 -0.15 0.00 -0.02 0.00 0.00 33.50 31.43 1n64 n PRO 44 CO 0.00 0.00 0.00 0.15 1.98 0.00 0.00 175.50 177.63 1n64 s LYS 45 N -3.50 0.30 0.47 -0.52 1.02 0.28 -4.92 119.74 112.88 1n64 s LYS 45 Ca 0.78 -0.01 -0.23 0.00 0.02 0.00 0.00 55.97 56.53 1n64 s LYS 45 Cb -0.35 -0.40 -0.07 0.00 -0.52 0.00 0.00 37.83 36.49 1n64 s LYS 45 CO 0.45 -0.05 1.22 0.54 -0.92 0.00 0.00 175.35 176.60 1n64 s VAL 46 N 0.54 2.83 0.00 3.17 0.11 -1.26 0.33 120.40 126.12 1n64 s VAL 46 Ca -0.05 0.64 0.00 0.00 -2.93 0.00 0.00 61.98 59.64 1n64 s VAL 46 Cb -0.08 -3.33 0.00 0.00 -1.53 0.00 0.00 36.38 31.43 1n64 s VAL 46 CO -0.01 0.01 0.00 0.18 -3.33 0.00 0.00 175.10 171.95 1n64 n LEU 47 N -0.51 0.77 -3.74 2.54 4.77 0.11 -4.84 117.00 116.11 1n64 n LEU 47 Ca 0.07 0.00 -0.14 0.00 -0.03 0.00 0.00 56.01 55.92 1n64 n LEU 47 Cb 0.47 0.00 -0.09 0.00 -2.33 0.00 0.00 43.42 41.47 1n64 n LEU 47 CO 0.50 0.13 0.07 -0.63 -1.33 0.00 0.00 177.39 176.12 1n64 s ILE 48 N -1.88 0.03 0.23 -0.08 1.01 -1.14 -1.47 121.20 117.90 1n64 s ILE 48 Ca 0.00 -0.26 0.01 0.00 0.00 0.00 0.00 60.65 60.40 1n64 s ILE 48 Cb 0.00 -0.61 -0.04 0.00 0.01 0.00 0.00 42.46 41.82 1n64 s ILE 48 CO 0.00 -0.14 0.17 -0.72 0.00 0.00 0.00 174.94 174.25 1n64 s TYR 49 N -0.73 1.30 -1.84 3.97 1.13 -0.22 -0.74 117.35 120.22 1n64 s TYR 49 Ca -0.08 -1.44 0.00 0.00 -1.41 0.00 0.00 57.07 54.14 1n64 s TYR 49 Cb -0.04 -0.58 0.00 0.00 -1.10 0.00 0.00 41.96 40.24 1n64 s TYR 49 CO 0.03 -0.71 0.00 0.91 -2.51 0.00 0.00 175.55 173.28 1n64 n TRP 50 N -0.36 -0.33 0.00 -3.49 8.01 -1.17 -0.75 117.44 119.35 1n64 n TRP 50 Ca 0.03 0.00 0.00 0.00 -1.31 0.00 0.00 57.50 56.22 1n64 n TRP 50 Cb 0.65 -3.22 0.00 0.00 -2.01 0.00 0.00 31.31 26.73 1n64 n TRP 50 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.69 176.68 1n64 n ALA 51 N 0.45 0.00 -2.24 6.99 0.00 0.37 -4.22 120.51 121.85 1n64 n ALA 51 Ca -0.19 0.00 0.01 0.00 0.00 0.00 0.00 53.44 53.27 1n64 n ALA 51 Cb 0.60 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.06 1n64 n ALA 51 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 1n64 n SER 52 N 1.24 0.41 -4.30 0.00 3.41 -1.11 -3.73 113.62 109.54 1n64 n SER 52 Ca 0.00 -1.94 -0.35 0.00 -0.26 0.00 0.00 58.87 56.31 1n64 n SER 52 Cb 0.00 -0.20 -0.14 0.00 -0.26 0.00 0.00 64.21 63.61 1n64 n SER 52 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 1n64 s THR 53 N 0.00 3.44 0.38 6.66 2.01 0.07 -4.79 115.64 123.40 1n64 s THR 53 Ca 0.16 -0.65 -0.27 0.00 0.31 0.00 0.00 61.69 61.25 1n64 s THR 53 Cb 0.19 -2.66 -0.09 0.00 0.01 0.00 0.00 72.50 69.95 1n64 s THR 53 CO -0.08 0.28 1.28 -0.60 -0.69 0.00 0.00 174.62 174.82 1n64 s ARG 54 N 1.45 4.08 0.42 4.92 3.52 -1.26 -1.06 118.95 131.03 1n64 s ARG 54 Ca 0.04 2.13 -0.22 0.00 -0.13 0.00 0.00 55.73 57.54 1n64 s ARG 54 Cb -0.16 -2.83 -0.09 0.00 -1.56 0.00 0.00 34.95 30.31 1n64 s ARG 54 CO -0.02 -0.39 1.02 -2.00 -0.81 0.00 0.00 175.30 173.10 1n64 s GLU 55 N -2.13 4.10 0.15 5.12 2.56 -0.54 -4.87 118.70 123.09 1n64 s GLU 55 Ca 0.55 1.38 -0.34 0.00 0.00 0.00 0.00 54.97 56.55 1n64 s GLU 55 Cb -0.37 -2.36 -0.15 0.00 2.00 0.00 0.00 34.13 33.25 1n64 s GLU 55 CO 0.48 -0.17 1.47 0.45 -0.56 0.00 0.00 175.26 176.93 1n64 n SER 56 N -0.40 2.54 0.00 -1.70 2.88 -1.26 -1.64 113.62 114.05 1n64 n SER 56 Ca 0.06 1.10 0.00 0.00 -1.33 0.00 0.00 58.87 58.71 1n64 n SER 56 Cb 0.51 -1.35 0.00 0.00 -0.75 0.00 0.00 64.21 62.63 1n64 n SER 56 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1n64 n GLY 57 N 2.94 0.72 3.82 0.46 0.00 -1.26 -5.04 105.19 106.83 1n64 n GLY 57 Ca 0.17 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.81 1n64 n GLY 57 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1n64 s VAL 58 N -2.81 5.11 0.18 1.61 1.01 -0.65 -5.03 120.40 119.81 1n64 s VAL 58 Ca 0.00 0.77 -0.32 0.00 0.00 0.00 0.00 61.98 62.43 1n64 s VAL 58 Cb 0.00 -3.69 -0.16 0.00 0.00 0.00 0.00 36.38 32.54 1n64 s VAL 58 CO 0.00 0.54 1.10 -2.65 0.00 0.00 0.00 175.10 174.10 1n64 n PRO 59 N 2.16 1.05 0.00 2.72 -0.02 -1.26 -4.85 135.00 134.80 1n64 n PRO 59 Ca -0.14 0.37 0.07 0.00 -2.02 0.00 0.00 63.50 61.79 1n64 n PRO 59 Cb 0.52 -1.83 0.39 0.00 -0.02 0.00 0.00 33.50 32.56 1n64 n PRO 59 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 1n64 n ASP 60 N 1.91 0.00 -0.35 2.55 10.43 -1.26 -2.26 116.55 127.57 1n64 n ASP 60 Ca 0.15 -0.14 0.14 0.00 2.57 0.00 0.00 54.79 57.51 1n64 n ASP 60 Cb 0.25 -0.16 0.58 0.00 1.84 0.00 0.00 41.12 43.62 1n64 n ASP 60 CO 0.00 0.00 0.00 -2.11 -1.07 0.00 0.00 177.20 174.02 1n64 n ARG 61 N -1.16 1.38 -3.54 -1.24 -4.01 -1.26 -4.72 116.66 102.11 1n64 n ARG 61 Ca 0.08 -0.70 -0.39 0.00 -1.04 0.00 0.00 57.85 55.81 1n64 n ARG 61 Cb 0.08 -1.49 -0.11 0.00 -3.04 0.00 0.00 32.46 27.91 1n64 n ARG 61 CO 0.00 0.00 0.00 -0.06 -3.04 0.00 0.00 177.63 174.53 1n64 s PHE 62 N -2.10 3.22 -0.02 2.89 0.08 -0.96 -0.55 117.98 120.55 1n64 s PHE 62 Ca 0.37 0.02 0.01 0.00 0.12 0.00 0.00 56.93 57.44 1n64 s PHE 62 Cb 0.21 -2.45 0.01 0.00 -0.57 0.00 0.00 43.02 40.22 1n64 s PHE 62 CO 0.38 -0.25 -0.02 0.95 -0.10 0.00 0.00 175.22 176.17 1n64 s THR 63 N 1.79 0.22 -0.05 0.64 -4.23 0.17 -4.93 115.64 109.25 1n64 s THR 63 Ca 0.08 -0.03 -0.00 0.00 -1.18 0.00 0.00 61.69 60.55 1n64 s THR 63 Cb -0.17 -0.25 -0.03 0.00 1.34 0.00 0.00 72.50 73.39 1n64 s THR 63 CO 0.11 0.11 -0.01 -0.83 -0.54 0.00 0.00 174.62 173.46 1n64 s GLY 64 N 0.46 1.83 0.22 3.99 0.00 -1.26 0.20 107.32 112.77 1n64 s GLY 64 Ca -0.05 -0.87 0.00 0.00 0.00 0.00 0.00 44.72 43.80 1n64 s GLY 64 CO -0.01 -0.67 0.13 0.50 0.00 0.00 0.00 173.10 173.04 1n64 s ARG 65 N -1.11 1.29 0.00 2.90 0.52 0.32 -4.39 118.95 118.48 1n64 s ARG 65 Ca 0.15 -1.69 0.00 0.00 -0.52 0.00 0.00 55.73 53.67 1n64 s ARG 65 Cb -0.11 0.11 0.00 0.00 0.52 0.00 0.00 34.95 35.47 1n64 s ARG 65 CO 0.05 -0.37 0.00 0.41 0.02 0.00 0.00 175.30 175.40 1n64 n GLY 66 N -0.35 2.77 3.61 -3.53 0.00 -1.26 -1.60 105.19 104.84 1n64 n GLY 66 Ca 0.02 -1.89 -0.09 0.00 0.00 0.00 0.00 46.02 44.05 1n64 n GLY 66 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1n64 s SER 67 N 0.00 -0.87 0.00 1.61 0.15 -1.21 -4.83 113.70 108.55 1n64 s SER 67 Ca 0.00 1.46 0.00 0.00 0.70 0.00 0.00 55.95 58.11 1n64 s SER 67 Cb 0.00 1.37 0.00 0.00 -1.71 0.00 0.00 66.02 65.68 1n64 s SER 67 CO 0.00 -0.24 0.00 0.61 1.20 0.00 0.00 173.24 174.81 1n64 n GLY 68 N 3.86 0.97 0.00 9.45 0.00 -1.26 -4.35 105.19 113.86 1n64 n GLY 68 Ca -0.18 -0.92 0.00 0.00 0.00 0.00 0.00 46.02 44.92 1n64 n GLY 68 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1n64 n THR 69 N 0.00 0.00 -3.87 2.61 -2.24 -1.26 -4.37 114.28 105.15 1n64 n THR 69 Ca 0.00 -0.49 -0.36 0.00 -2.27 0.00 0.00 64.05 60.94 1n64 n THR 69 Cb 0.00 1.00 -0.14 0.00 -2.10 0.00 0.00 70.33 69.09 1n64 n THR 69 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 1n64 s ASP 70 N -0.97 4.59 0.11 3.42 1.11 -1.26 -0.66 116.67 123.02 1n64 s ASP 70 Ca 0.00 -0.55 0.04 0.00 0.18 0.00 0.00 52.55 52.22 1n64 s ASP 70 Cb 0.00 -1.78 -0.04 0.00 1.07 0.00 0.00 42.92 42.17 1n64 s ASP 70 CO 0.00 -0.09 -0.10 -0.36 1.18 0.00 0.00 175.17 175.80 1n64 s PHE 71 N 1.47 1.12 0.03 4.23 0.08 0.13 -3.31 117.98 121.73 1n64 s PHE 71 Ca 0.04 -0.70 -0.05 0.00 0.12 0.00 0.00 56.93 56.34 1n64 s PHE 71 Cb -0.16 -0.60 -0.01 0.00 -0.57 0.00 0.00 43.02 41.68 1n64 s PHE 71 CO -0.01 0.02 0.08 0.95 -0.10 0.00 0.00 175.22 176.15 1n64 s THR 72 N -2.79 0.13 -0.11 0.64 -4.23 -0.63 -0.46 115.64 108.19 1n64 s THR 72 Ca 0.09 -1.05 0.03 0.00 -1.18 0.00 0.00 61.69 59.59 1n64 s THR 72 Cb -0.01 -0.77 0.01 0.00 1.34 0.00 0.00 72.50 73.07 1n64 s THR 72 CO -0.00 -0.58 -0.22 -0.22 -0.54 0.00 0.00 174.62 173.06 1n64 s LEU 73 N -1.96 2.04 -0.07 4.79 2.96 0.15 -0.52 118.68 126.07 1n64 s LEU 73 Ca -0.07 -0.55 0.05 0.00 -0.22 0.00 0.00 54.13 53.33 1n64 s LEU 73 Cb -0.03 -1.36 -0.01 0.00 0.50 0.00 0.00 46.19 45.28 1n64 s LEU 73 CO -0.03 0.11 -0.22 -0.89 -1.32 0.00 0.00 176.35 174.00 1n64 s THR 74 N 0.58 2.35 -0.30 3.68 2.01 0.54 -1.27 115.64 123.23 1n64 s THR 74 Ca -0.13 -0.96 -0.01 0.00 0.31 0.00 0.00 61.69 60.89 1n64 s THR 74 Cb -0.17 -1.88 0.05 0.00 0.01 0.00 0.00 72.50 70.51 1n64 s THR 74 CO 0.04 0.57 0.00 -0.63 -0.69 0.00 0.00 174.62 173.91 1n64 s ILE 75 N -0.18 2.94 0.01 1.82 -1.09 0.20 0.42 121.20 125.32 1n64 s ILE 75 Ca -0.02 -1.46 -0.25 0.00 -2.23 0.00 0.00 60.65 56.69 1n64 s ILE 75 Cb -0.14 -2.72 -0.18 0.00 -1.58 0.00 0.00 42.46 37.85 1n64 s ILE 75 CO 0.04 -0.14 1.34 0.77 -1.23 0.00 0.00 174.94 175.71 1n64 h SER 76 N 7.98 -0.15 -3.38 3.58 4.64 -1.07 0.11 113.55 125.26 1n64 h SER 76 Ca -0.20 -0.27 -0.61 0.00 -0.47 0.00 0.00 61.79 60.24 1n64 h SER 76 Cb 1.06 0.04 -0.40 0.00 -0.31 0.00 0.00 62.40 62.79 1n64 h SER 76 CO 0.54 0.20 -0.74 -0.94 -0.87 0.00 0.00 176.83 175.02 1n64 s SER 77 N -5.34 4.25 0.19 4.97 1.04 -1.25 -2.49 113.70 115.08 1n64 s SER 77 Ca -0.15 -1.91 -0.30 0.00 0.48 0.00 0.00 55.95 54.07 1n64 s SER 77 Cb 0.03 -1.14 -0.09 0.00 0.10 0.00 0.00 66.02 64.92 1n64 s SER 77 CO 0.62 -0.39 1.33 0.68 0.98 0.00 0.00 173.24 176.46 1n64 s VAL 78 N 1.25 3.17 0.44 5.02 -7.23 -0.21 -4.70 120.40 118.14 1n64 s VAL 78 Ca 0.11 0.95 0.07 0.00 -1.81 0.00 0.00 61.98 61.30 1n64 s VAL 78 Cb -0.19 -3.61 -0.02 0.00 0.56 0.00 0.00 36.38 33.13 1n64 s VAL 78 CO -0.17 0.14 0.34 -1.10 -0.31 0.00 0.00 175.10 173.99 1n64 s GLN 79 N -0.02 2.39 0.20 4.82 -1.52 -1.26 -0.91 119.66 123.36 1n64 s GLN 79 Ca 0.58 -1.71 -0.09 0.00 -1.95 0.00 0.00 55.36 52.19 1n64 s GLN 79 Cb -0.37 -2.22 0.12 0.00 -0.22 0.00 0.00 33.01 30.31 1n64 s GLN 79 CO 0.38 -0.27 1.72 0.00 -0.25 0.00 0.00 175.29 176.88 1n64 h ALA 80 N 1.07 0.94 0.00 6.09 0.00 -1.93 -2.86 119.26 122.56 1n64 h ALA 80 Ca -0.41 -0.24 0.00 0.00 0.00 0.00 0.00 54.91 54.27 1n64 h ALA 80 Cb 1.27 -0.27 0.00 0.00 0.00 0.00 0.00 17.79 18.79 1n64 h ALA 80 CO 0.60 0.64 0.00 -0.85 0.00 0.00 0.00 179.25 179.64 1n64 n GLU 81 N -4.26 0.83 0.00 0.00 0.00 -1.16 -2.49 120.64 113.56 1n64 n GLU 81 Ca 0.05 0.00 0.08 0.00 0.00 0.00 0.00 57.16 57.29 1n64 n GLU 81 Cb 0.24 -1.29 0.04 0.00 0.00 0.00 0.00 31.44 30.44 1n64 n GLU 81 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.13 176.88 1n64 n ASP 82 N -0.09 2.12 -4.68 -1.84 10.43 -1.08 -4.95 116.55 116.46 1n64 n ASP 82 Ca 0.00 -1.56 -0.42 0.00 2.57 0.00 0.00 54.79 55.38 1n64 n ASP 82 Cb 0.15 0.17 -0.03 0.00 1.84 0.00 0.00 41.12 43.24 1n64 n ASP 82 CO 0.00 0.00 0.00 -1.58 -1.07 0.00 0.00 177.20 174.55 1n64 s GLN 83 N -1.57 4.16 0.00 -1.24 -0.44 -1.04 -4.82 119.66 114.71 1n64 s GLN 83 Ca 0.17 2.48 0.00 0.00 -2.50 0.00 0.00 55.36 55.51 1n64 s GLN 83 Cb 0.14 -3.74 0.00 0.00 -1.64 0.00 0.00 33.01 27.76 1n64 s GLN 83 CO 0.28 -0.83 0.00 0.00 0.50 0.00 0.00 175.29 175.24 1n64 n ALA 84 N 6.16 0.00 -2.81 1.58 0.00 -1.16 -4.76 120.51 119.52 1n64 n ALA 84 Ca 0.17 0.00 -0.35 0.00 0.00 0.00 0.00 53.44 53.27 1n64 n ALA 84 Cb 0.40 0.00 -0.10 0.00 0.00 0.00 0.00 19.45 19.75 1n64 n ALA 84 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1n64 s VAL 85 N -2.00 4.66 -0.12 0.00 1.01 -0.97 0.01 120.40 122.98 1n64 s VAL 85 Ca 0.00 -0.09 -0.03 0.00 0.00 0.00 0.00 61.98 61.86 1n64 s VAL 85 Cb 0.00 -3.06 -0.03 0.00 0.00 0.00 0.00 36.38 33.29 1n64 s VAL 85 CO 0.00 0.51 -0.01 -0.31 0.00 0.00 0.00 175.10 175.29 1n64 s TYR 86 N -0.04 3.10 0.08 5.22 1.51 0.44 -1.96 117.35 125.71 1n64 s TYR 86 Ca 0.05 -0.01 0.08 0.00 -1.01 0.00 0.00 57.07 56.18 1n64 s TYR 86 Cb -0.12 -1.88 -0.03 0.00 -0.11 0.00 0.00 41.96 39.82 1n64 s TYR 86 CO 0.01 0.24 -0.21 0.71 -1.11 0.00 0.00 175.55 175.19 1n64 s TYR 87 N -0.28 1.83 0.20 2.71 1.51 -0.61 -0.46 117.35 122.25 1n64 s TYR 87 Ca 0.06 -0.40 0.08 0.00 -1.01 0.00 0.00 57.07 55.80 1n64 s TYR 87 Cb -0.12 -1.04 -0.04 0.00 -0.11 0.00 0.00 41.96 40.64 1n64 s TYR 87 CO 0.02 0.16 -0.00 0.00 -1.11 0.00 0.00 175.55 174.62 1n64 s LYS 89 N -3.18 0.19 -0.12 0.00 2.20 0.12 -1.77 119.74 117.18 1n64 s LYS 89 Ca 0.28 0.32 -0.05 0.00 -0.36 0.00 0.00 55.97 56.16 1n64 s LYS 89 Cb -0.08 0.01 -0.04 0.00 -1.51 0.00 0.00 37.83 36.21 1n64 s LYS 89 CO 0.19 -0.07 0.08 1.14 -0.36 0.00 0.00 175.35 176.32 1n64 s GLN 90 N 0.48 3.42 -0.07 4.03 1.03 -0.83 0.25 119.66 127.97 1n64 s GLN 90 Ca -0.03 -0.26 0.21 0.00 0.04 0.00 0.00 55.36 55.32 1n64 s GLN 90 Cb -0.05 -3.07 0.43 0.00 0.03 0.00 0.00 33.01 30.35 1n64 s GLN 90 CO -0.02 0.64 1.18 0.00 -2.54 0.00 0.00 175.29 174.55 1n64 n ALA 91 N 2.38 2.77 0.01 2.60 0.00 0.25 -3.04 120.51 125.48 1n64 n ALA 91 Ca -0.19 -2.65 -0.18 0.00 0.00 0.00 0.00 53.44 50.43 1n64 n ALA 91 Cb 0.54 -0.62 -0.11 0.00 0.00 0.00 0.00 19.45 19.26 1n64 n ALA 91 CO 0.00 0.00 0.00 -0.92 0.00 0.00 0.00 177.50 176.58 1n64 h TYR 92 N 1.02 0.67 -3.36 0.00 3.20 -1.94 -3.45 116.97 113.10 1n64 h TYR 92 Ca -0.16 -0.37 -0.32 0.00 3.14 0.00 0.00 58.73 61.02 1n64 h TYR 92 Cb 1.62 -0.08 -0.36 0.00 1.54 0.00 0.00 36.73 39.46 1n64 h TYR 92 CO 0.36 1.19 -0.71 0.42 -1.64 0.00 0.00 178.16 177.78 1n64 s ILE 93 N -3.21 -0.10 0.75 1.81 1.01 -1.26 -5.08 121.20 115.11 1n64 s ILE 93 Ca -0.13 0.32 -0.12 0.00 0.00 0.00 0.00 60.65 60.72 1n64 s ILE 93 Cb 0.04 -0.15 0.04 0.00 0.01 0.00 0.00 42.46 42.41 1n64 s ILE 93 CO 0.84 0.13 1.10 -2.16 0.00 0.00 0.00 174.94 174.85 1n64 s PRO 94 N 1.66 2.35 0.31 2.79 0.04 -1.26 -4.28 135.00 136.61 1n64 s PRO 94 Ca -0.02 1.27 -0.28 0.00 0.04 0.00 0.00 61.00 62.01 1n64 s PRO 94 Cb -0.12 -1.90 -0.09 0.00 0.04 0.00 0.00 34.50 32.42 1n64 s PRO 94 CO -0.04 -1.59 1.14 -1.25 0.04 0.00 0.00 177.00 175.31 1n64 s PRO 95 N -4.63 4.48 0.30 0.56 0.04 -1.26 -4.79 135.00 129.70 1n64 s PRO 95 Ca 0.63 1.86 -0.30 0.00 0.04 0.00 0.00 61.00 63.24 1n64 s PRO 95 Cb -0.19 -3.05 -0.11 0.00 0.04 0.00 0.00 34.50 31.19 1n64 s PRO 95 CO 0.52 0.04 1.61 -0.51 0.04 0.00 0.00 177.00 178.70 1n64 s LEU 96 N -1.74 4.34 -0.01 -3.56 1.02 -1.26 -4.71 118.68 112.76 1n64 s LEU 96 Ca 0.48 2.98 0.05 0.00 0.02 0.00 0.00 54.13 57.66 1n64 s LEU 96 Cb -0.32 -3.64 -0.01 0.00 0.02 0.00 0.00 46.19 42.24 1n64 s LEU 96 CO 0.42 -0.94 -0.16 0.42 0.02 0.00 0.00 176.35 176.11 1n64 s THR 97 N -0.01 1.29 0.23 5.49 -4.23 -1.17 -5.00 115.64 112.23 1n64 s THR 97 Ca 0.64 -0.69 0.06 0.00 -1.18 0.00 0.00 61.69 60.51 1n64 s THR 97 Cb -0.48 -1.07 -0.03 0.00 1.34 0.00 0.00 72.50 72.25 1n64 s THR 97 CO 0.49 0.36 0.23 -0.36 -0.54 0.00 0.00 174.62 174.80 1n64 s PHE 98 N -0.37 3.22 0.61 3.99 0.40 -1.26 -1.96 117.98 122.61 1n64 s PHE 98 Ca 0.06 -0.06 -0.05 0.00 -0.60 0.00 0.00 56.93 56.28 1n64 s PHE 98 Cb -0.06 -1.48 0.13 0.00 0.51 0.00 0.00 43.02 42.12 1n64 s PHE 98 CO -0.01 0.50 0.83 0.41 0.70 0.00 0.00 175.22 177.66 1n64 n GLY 99 N -1.05 -0.15 0.20 4.36 0.00 -0.73 -4.56 105.19 103.26 1n64 n GLY 99 Ca -0.08 -1.89 0.12 0.00 0.00 0.00 0.00 46.02 44.17 1n64 n GLY 99 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1n64 h ALA 100 N -1.08 0.92 0.00 4.61 0.00 -1.91 -3.45 119.26 118.35 1n64 h ALA 100 Ca -0.27 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.63 1n64 h ALA 100 Cb 0.89 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.68 1n64 h ALA 100 CO 0.25 0.01 0.00 0.41 0.00 0.00 0.00 179.25 179.91 1n64 n GLY 101 N 1.11 1.31 2.96 0.00 0.00 -1.26 -5.00 105.19 104.31 1n64 n GLY 101 Ca 0.03 -1.79 -0.25 0.00 0.00 0.00 0.00 46.02 44.01 1n64 n GLY 101 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1n64 s THR 102 N -2.91 1.01 -0.17 2.61 2.01 0.39 -4.60 115.64 113.98 1n64 s THR 102 Ca 0.00 -0.35 -0.21 0.00 0.31 0.00 0.00 61.69 61.44 1n64 s THR 102 Cb 0.00 -0.98 -0.03 0.00 0.01 0.00 0.00 72.50 71.50 1n64 s THR 102 CO 0.00 0.34 0.62 -0.75 -0.69 0.00 0.00 174.62 174.15 1n64 s LYS 103 N 1.15 4.25 -0.40 4.92 2.20 -0.81 -0.42 119.74 130.64 1n64 s LYS 103 Ca -0.06 0.63 -0.16 0.00 -0.36 0.00 0.00 55.97 56.03 1n64 s LYS 103 Cb -0.14 -3.55 0.01 0.00 -1.51 0.00 0.00 37.83 32.64 1n64 s LYS 103 CO -0.02 -0.16 0.37 -1.17 -0.36 0.00 0.00 175.35 174.02 1n64 s LEU 104 N 1.64 4.82 -0.07 5.43 2.96 0.10 -0.61 118.68 132.95 1n64 s LEU 104 Ca 0.29 -0.62 0.02 0.00 -0.22 0.00 0.00 54.13 53.60 1n64 s LEU 104 Cb -0.16 -2.30 -0.03 0.00 0.50 0.00 0.00 46.19 44.20 1n64 s LEU 104 CO 0.11 -0.48 -0.10 -1.61 -1.32 0.00 0.00 176.35 172.95 1n64 s GLU 105 N 1.97 2.76 0.60 1.98 2.02 0.07 -2.96 118.70 125.14 1n64 s GLU 105 Ca 0.10 -0.62 -0.05 0.00 0.02 0.00 0.00 54.97 54.42 1n64 s GLU 105 Cb -0.17 -2.53 0.02 0.00 0.10 0.00 0.00 34.13 31.55 1n64 s GLU 105 CO 0.12 0.58 0.89 -0.51 0.02 0.00 0.00 175.26 176.36 1n64 s LEU 106 N -0.60 3.18 -0.02 1.80 2.01 -1.26 -1.65 118.68 122.14 1n64 s LEU 106 Ca 0.09 0.52 0.04 0.00 0.01 0.00 0.00 54.13 54.79 1n64 s LEU 106 Cb -0.11 -3.31 -0.01 0.00 0.01 0.00 0.00 46.19 42.77 1n64 s LEU 106 CO 0.02 -1.17 -0.14 -0.54 1.01 0.00 0.00 176.35 175.53 1n64 s LYS 107 N -4.98 1.30 0.35 1.70 1.02 0.59 -4.73 119.74 114.99 1n64 s LYS 107 Ca 0.55 -0.50 -0.01 0.00 0.02 0.00 0.00 55.97 56.04 1n64 s LYS 107 Cb -0.10 -1.20 0.00 0.00 -0.52 0.00 0.00 37.83 36.01 1n64 s LYS 107 CO 0.43 0.25 0.48 2.89 -0.92 0.00 0.00 175.35 178.48 1n64 n ARG 108 N 2.97 0.69 -1.87 1.68 1.85 -1.26 -4.11 116.66 116.60 1n64 n ARG 108 Ca -0.16 -2.90 -0.40 0.00 -1.00 0.00 0.00 57.85 53.40 1n64 n ARG 108 Cb 0.54 2.74 0.01 0.00 -1.05 0.00 0.00 32.46 34.71 1n64 n ARG 108 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 1n64 s ALA 109 N -2.85 3.24 0.64 2.89 0.00 -1.26 -4.93 121.76 119.48 1n64 s ALA 109 Ca 0.31 1.40 -0.18 0.00 0.00 0.00 0.00 51.96 53.48 1n64 s ALA 109 Cb -0.01 -3.56 -0.02 0.00 0.00 0.00 0.00 23.12 19.54 1n64 s ALA 109 CO 0.22 -1.09 1.26 -0.25 0.00 0.00 0.00 175.76 175.90 1n64 n ASP 110 N -0.12 1.99 -3.69 0.00 10.43 -1.26 -4.81 116.55 119.08 1n64 n ASP 110 Ca 0.05 0.84 -0.10 0.00 2.57 0.00 0.00 54.79 58.14 1n64 n ASP 110 Cb 0.42 -1.54 -0.11 0.00 1.84 0.00 0.00 41.12 41.74 1n64 n ASP 110 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13 1n64 s ALA 111 N -1.39 -1.09 0.47 2.24 0.00 -0.69 -4.93 121.76 116.37 1n64 s ALA 111 Ca 0.81 1.56 -0.21 0.00 0.00 0.00 0.00 51.96 54.12 1n64 s ALA 111 Cb -0.39 -0.94 -0.09 0.00 0.00 0.00 0.00 23.12 21.70 1n64 s ALA 111 CO 0.41 -0.27 1.02 0.00 0.00 0.00 0.00 175.76 176.93 1n64 s ALA 112 N 1.35 2.92 0.22 0.00 0.00 -1.26 -1.46 121.76 123.52 1n64 s ALA 112 Ca -0.09 0.58 -0.23 0.00 0.00 0.00 0.00 51.96 52.22 1n64 s ALA 112 Cb -0.08 -3.24 -0.08 0.00 0.00 0.00 0.00 23.12 19.72 1n64 s ALA 112 CO -0.12 -0.22 0.78 -1.25 0.00 0.00 0.00 175.76 174.95 1n64 s PRO 113 N -3.14 4.44 -0.23 0.00 0.04 -1.26 -4.56 135.00 130.29 1n64 s PRO 113 Ca 0.65 1.07 -0.21 0.00 0.04 0.00 0.00 61.00 62.55 1n64 s PRO 113 Cb -0.16 -3.03 -0.02 0.00 0.04 0.00 0.00 34.50 31.34 1n64 s PRO 113 CO 0.19 0.45 0.66 0.95 0.04 0.00 0.00 177.00 179.29 1n64 s THR 114 N -1.38 4.98 -0.11 1.26 -4.23 -0.73 -4.84 115.64 110.59 1n64 s THR 114 Ca 0.41 1.21 -0.09 0.00 -1.18 0.00 0.00 61.69 62.05 1n64 s THR 114 Cb -0.20 -3.96 -0.04 0.00 1.34 0.00 0.00 72.50 69.64 1n64 s THR 114 CO 0.24 0.04 0.18 -0.69 -0.54 0.00 0.00 174.62 173.86 1n64 s VAL 115 N 2.33 5.42 -0.02 2.29 1.01 -1.26 -2.34 120.40 127.83 1n64 s VAL 115 Ca 0.28 0.31 0.01 0.00 0.00 0.00 0.00 61.98 62.59 1n64 s VAL 115 Cb -0.16 -3.46 0.02 0.00 0.00 0.00 0.00 36.38 32.78 1n64 s VAL 115 CO 0.09 0.59 -0.02 -0.44 0.00 0.00 0.00 175.10 175.32 1n64 s SER 116 N -0.86 0.48 0.01 3.32 0.01 -0.11 -4.98 113.70 111.57 1n64 s SER 116 Ca 0.16 -0.05 0.07 0.00 1.31 0.00 0.00 55.95 57.44 1n64 s SER 116 Cb -0.13 -0.19 -0.03 0.00 0.21 0.00 0.00 66.02 65.89 1n64 s SER 116 CO 0.05 -0.04 -0.22 -0.51 0.41 0.00 0.00 173.24 172.93 1n64 s ILE 117 N 0.59 2.47 -0.05 1.44 2.07 -1.26 0.14 121.20 126.60 1n64 s ILE 117 Ca -0.06 -1.15 0.01 0.00 -1.41 0.00 0.00 60.65 58.03 1n64 s ILE 117 Cb -0.09 -1.97 0.02 0.00 0.13 0.00 0.00 42.46 40.55 1n64 s ILE 117 CO -0.01 0.44 -0.05 -0.36 -1.91 0.00 0.00 174.94 173.06 1n64 s PHE 118 N -0.79 0.85 0.87 3.50 0.40 0.25 -4.98 117.98 118.09 1n64 s PHE 118 Ca 0.12 -0.27 -0.11 0.00 -0.60 0.00 0.00 56.93 56.07 1n64 s PHE 118 Cb -0.10 -0.76 0.11 0.00 0.51 0.00 0.00 43.02 42.78 1n64 s PHE 118 CO 0.02 -0.24 1.09 -2.14 0.70 0.00 0.00 175.22 174.65 1n64 s PRO 119 N 1.10 1.46 0.71 0.24 0.02 -1.26 -1.19 135.00 136.07 1n64 s PRO 119 Ca -0.08 0.79 -0.16 0.00 0.02 0.00 0.00 61.00 61.57 1n64 s PRO 119 Cb -0.14 -1.83 0.02 0.00 0.02 0.00 0.00 34.50 32.56 1n64 s PRO 119 CO -0.01 -2.09 1.16 -2.30 -0.33 0.00 0.00 177.00 173.43 1n64 n PRO 120 N -3.78 0.69 -3.12 5.54 -0.02 -1.16 -4.79 135.00 128.36 1n64 n PRO 120 Ca 0.07 0.30 -0.33 0.00 -2.02 0.00 0.00 63.50 61.52 1n64 n PRO 120 Cb 0.55 -2.40 -0.06 0.00 -0.02 0.00 0.00 33.50 31.57 1n64 n PRO 120 CO 0.00 0.00 0.00 -1.54 1.98 0.00 0.00 175.50 175.94 1n64 s SER 121 N -1.63 6.78 0.47 2.55 1.04 -1.26 -4.94 113.70 116.71 1n64 s SER 121 Ca 0.77 1.30 0.16 0.00 0.48 0.00 0.00 55.95 58.67 1n64 s SER 121 Cb -0.35 -2.38 1.15 0.00 0.10 0.00 0.00 66.02 64.54 1n64 s SER 121 CO 0.46 -0.21 2.03 0.77 0.98 0.00 0.00 173.24 177.27 1n64 h SER 122 N 2.25 0.21 -0.11 7.02 4.64 -1.99 -1.09 113.55 124.49 1n64 h SER 122 Ca -0.48 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 60.84 1n64 h SER 122 Cb 1.17 -0.04 -0.00 0.00 -0.31 0.00 0.00 62.40 63.22 1n64 h SER 122 CO 0.65 0.14 0.04 -0.33 -0.87 0.00 0.00 176.83 176.46 1n64 h GLU 123 N 0.24 0.17 -0.46 4.77 5.08 -2.00 -2.18 114.58 120.21 1n64 h GLU 123 Ca 0.19 -0.03 -0.03 0.00 -1.00 0.00 0.00 59.36 58.49 1n64 h GLU 123 Cb 0.45 -0.03 -0.02 0.00 0.50 0.00 0.00 28.75 29.66 1n64 h GLU 123 CO -0.04 0.29 0.16 0.37 -1.00 0.00 0.00 179.01 178.79 1n64 h GLN 124 N 0.02 0.71 -0.64 2.33 4.15 -1.66 -2.56 115.11 117.47 1n64 h GLN 124 Ca 0.04 -0.14 0.16 0.00 0.77 0.00 0.00 58.65 59.47 1n64 h GLN 124 Cb 0.18 -0.11 -0.03 0.00 0.21 0.00 0.00 27.48 27.73 1n64 h GLN 124 CO -0.00 0.66 0.44 -0.07 -1.93 0.00 0.00 178.83 177.93 1n64 h LEU 125 N 0.61 0.16 -1.05 -2.39 4.07 -1.08 0.15 115.31 115.78 1n64 h LEU 125 Ca 0.15 0.01 -0.07 0.00 0.08 0.00 0.00 57.88 58.05 1n64 h LEU 125 Cb 0.24 -0.02 -0.02 0.00 1.08 0.00 0.00 40.66 41.94 1n64 h LEU 125 CO -0.01 0.08 -0.12 0.74 -1.08 0.00 0.00 178.44 178.05 1n64 h THR 126 N 0.17 1.23 0.00 0.22 2.02 -0.96 -1.89 112.91 113.70 1n64 h THR 126 Ca 0.31 -1.04 0.00 0.00 0.77 0.00 0.00 66.41 66.45 1n64 h THR 126 Cb 0.97 1.13 0.00 0.00 -1.74 0.00 0.00 68.15 68.51 1n64 h THR 126 CO -0.05 0.34 0.00 -1.54 0.37 0.00 0.00 175.52 174.64 1n64 n SER 127 N -4.20 0.00 0.00 4.18 3.41 0.51 -4.86 113.62 112.67 1n64 n SER 127 Ca 0.01 0.05 0.00 0.00 -0.26 0.00 0.00 58.87 58.67 1n64 n SER 127 Cb 0.33 -0.32 0.00 0.00 -0.26 0.00 0.00 64.21 63.96 1n64 n SER 127 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1n64 n GLY 128 N 0.63 0.68 3.77 5.00 0.00 -0.71 -5.05 105.19 109.51 1n64 n GLY 128 Ca 0.10 -0.02 -0.23 0.00 0.00 0.00 0.00 46.02 45.86 1n64 n GLY 128 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1n64 s GLY 129 N -2.02 2.22 -0.29 -0.02 0.00 -1.14 -1.78 107.32 104.30 1n64 s GLY 129 Ca 0.00 -2.01 0.02 0.00 0.00 0.00 0.00 44.72 42.73 1n64 s GLY 129 CO 0.00 -1.84 0.56 0.00 0.00 0.00 0.00 173.10 171.82 1n64 s ALA 130 N -2.54 -2.10 -0.12 3.20 0.00 -0.04 -3.33 121.76 116.83 1n64 s ALA 130 Ca 0.42 1.27 -0.02 0.00 0.00 0.00 0.00 51.96 53.63 1n64 s ALA 130 Cb 0.01 -2.27 -0.03 0.00 0.00 0.00 0.00 23.12 20.84 1n64 s ALA 130 CO 0.24 -1.57 -0.04 -1.12 0.00 0.00 0.00 175.76 173.27 1n64 s SER 131 N 2.79 4.85 -0.14 0.00 0.01 -1.26 0.80 113.70 120.74 1n64 s SER 131 Ca 0.15 -0.05 -0.02 0.00 1.31 0.00 0.00 55.95 57.34 1n64 s SER 131 Cb -0.13 -1.57 -0.02 0.00 0.21 0.00 0.00 66.02 64.51 1n64 s SER 131 CO -0.24 0.26 -0.09 -0.69 0.41 0.00 0.00 173.24 172.89 1n64 s VAL 132 N -0.17 3.38 -0.03 3.43 1.01 0.28 -2.98 120.40 125.32 1n64 s VAL 132 Ca 0.03 -0.54 0.05 0.00 0.00 0.00 0.00 61.98 61.52 1n64 s VAL 132 Cb -0.13 -2.45 -0.03 0.00 0.00 0.00 0.00 36.38 33.78 1n64 s VAL 132 CO 0.02 0.51 -0.15 -0.69 0.00 0.00 0.00 175.10 174.79 1n64 s VAL 133 N 0.38 2.97 -0.15 2.92 1.01 -0.34 -0.77 120.40 126.42 1n64 s VAL 133 Ca -0.08 -0.84 -0.02 0.00 0.00 0.00 0.00 61.98 61.04 1n64 s VAL 133 Cb -0.15 -2.18 0.05 0.00 0.00 0.00 0.00 36.38 34.10 1n64 s VAL 133 CO 0.04 0.53 0.00 0.00 0.00 0.00 0.00 175.10 175.68 1n64 s PHE 135 N 1.84 3.51 -0.44 0.00 0.08 0.12 -1.58 117.98 121.52 1n64 s PHE 135 Ca 0.01 0.52 0.03 0.00 0.12 0.00 0.00 56.93 57.61 1n64 s PHE 135 Cb -0.15 -2.15 0.13 0.00 -0.57 0.00 0.00 43.02 40.28 1n64 s PHE 135 CO -0.07 0.45 0.21 -0.51 -0.10 0.00 0.00 175.22 175.20 1n64 s LEU 136 N -0.18 3.35 0.08 -0.37 1.02 -0.72 -0.94 118.68 120.93 1n64 s LEU 136 Ca 0.14 -2.59 0.03 0.00 0.02 0.00 0.00 54.13 51.72 1n64 s LEU 136 Cb -0.12 -1.26 -0.04 0.00 0.02 0.00 0.00 46.19 44.78 1n64 s LEU 136 CO 0.03 -0.28 0.10 0.20 0.02 0.00 0.00 176.35 176.41 1n64 s ASN 137 N 0.34 5.64 -0.93 2.29 0.01 -0.99 -0.15 114.94 121.15 1n64 s ASN 137 Ca 0.16 0.03 -0.08 0.00 -0.71 0.00 0.00 52.86 52.26 1n64 s ASN 137 Cb -0.24 -1.55 -0.01 0.00 0.41 0.00 0.00 41.25 39.87 1n64 s ASN 137 CO -0.03 0.17 0.74 0.59 -1.51 0.00 0.00 177.10 177.06 1n64 n ASN 138 N 0.45 -6.16 -4.59 -1.22 4.13 -0.90 -1.78 115.26 105.20 1n64 n ASN 138 Ca -0.08 -0.67 -0.28 0.00 1.68 0.00 0.00 54.58 55.23 1n64 n ASN 138 Cb 0.51 -3.80 -0.10 0.00 -1.54 0.00 0.00 39.78 34.85 1n64 n ASN 138 CO 0.00 0.00 0.00 0.72 0.28 0.00 0.00 177.26 178.26 1n64 s PHE 139 N -3.20 2.25 -0.29 3.10 -0.12 0.22 -4.43 117.98 115.51 1n64 s PHE 139 Ca 0.22 -0.81 -0.21 0.00 -0.05 0.00 0.00 56.93 56.08 1n64 s PHE 139 Cb -0.07 -1.63 0.14 0.00 -0.63 0.00 0.00 43.02 40.84 1n64 s PHE 139 CO 0.82 0.29 1.06 -0.47 -0.05 0.00 0.00 175.22 176.87 1n64 s TYR 140 N -2.87 -0.45 1.29 3.49 6.14 -0.54 -1.03 117.35 123.37 1n64 s TYR 140 Ca 0.29 1.00 -0.22 0.00 0.64 0.00 0.00 57.07 58.78 1n64 s TYR 140 Cb 0.08 0.35 0.32 0.00 0.42 0.00 0.00 41.96 43.13 1n64 s TYR 140 CO 0.14 -0.22 1.09 -1.25 0.64 0.00 0.00 175.55 175.95 1n64 s PRO 141 N 0.72 -1.89 0.37 4.97 0.04 -1.26 -1.71 135.00 136.25 1n64 s PRO 141 Ca -0.02 -0.18 0.16 0.00 0.04 0.00 0.00 61.00 60.99 1n64 s PRO 141 Cb -0.04 -1.53 0.72 0.00 0.04 0.00 0.00 34.50 33.69 1n64 s PRO 141 CO -0.11 -4.13 1.78 1.57 0.04 0.00 0.00 177.00 176.16 1n64 h LYS 142 N -2.87 0.00 -6.35 4.56 2.10 -1.98 -3.44 116.57 108.58 1n64 h LYS 142 Ca -0.42 0.00 -0.58 0.00 -2.00 0.00 0.00 60.65 57.65 1n64 h LYS 142 Cb 1.29 0.00 0.03 0.00 -0.90 0.00 0.00 32.23 32.65 1n64 h LYS 142 CO 0.27 0.39 1.10 -0.25 -2.00 0.00 0.00 179.45 178.96 1n64 n ASP 143 N -3.82 3.65 -3.63 7.07 8.00 -1.26 -4.93 116.55 121.64 1n64 n ASP 143 Ca -0.01 0.97 -0.10 0.00 0.71 0.00 0.00 54.79 56.36 1n64 n ASP 143 Cb 0.46 -1.44 -0.07 0.00 -0.02 0.00 0.00 41.12 40.05 1n64 n ASP 143 CO 0.00 0.00 0.00 -0.51 -0.39 0.00 0.00 177.20 176.30 1n64 s ILE 144 N 3.60 0.00 -0.06 0.53 2.07 -1.26 -4.78 121.20 121.29 1n64 s ILE 144 Ca 0.89 0.00 0.02 0.00 -1.41 0.00 0.00 60.65 60.15 1n64 s ILE 144 Cb -0.61 -1.00 0.01 0.00 0.13 0.00 0.00 42.46 41.00 1n64 s ILE 144 CO 0.46 0.00 -0.12 0.21 -1.91 0.00 0.00 174.94 173.58 1n64 s ASN 145 N 0.13 1.69 -0.02 4.50 2.47 -1.10 -5.02 114.94 117.59 1n64 s ASN 145 Ca 0.02 -0.28 0.01 0.00 0.42 0.00 0.00 52.86 53.03 1n64 s ASN 145 Cb -0.05 -0.72 -0.04 0.00 -1.45 0.00 0.00 41.25 39.00 1n64 s ASN 145 CO -0.04 0.04 0.01 -0.69 -3.72 0.00 0.00 177.10 172.69 1n64 s VAL 146 N 0.56 4.22 -0.04 -5.21 1.01 -1.26 -1.77 120.40 117.92 1n64 s VAL 146 Ca -0.12 -0.51 0.00 0.00 0.00 0.00 0.00 61.98 61.36 1n64 s VAL 146 Cb -0.14 -2.86 0.03 0.00 0.00 0.00 0.00 36.38 33.40 1n64 s VAL 146 CO 0.03 0.43 -0.01 -0.75 0.00 0.00 0.00 175.10 174.79 1n64 s LYS 147 N -1.42 0.48 0.34 2.72 2.20 0.17 -4.94 119.74 119.30 1n64 s LYS 147 Ca 0.18 0.03 0.01 0.00 -0.36 0.00 0.00 55.97 55.83 1n64 s LYS 147 Cb -0.11 -0.62 -0.03 0.00 -1.51 0.00 0.00 37.83 35.55 1n64 s LYS 147 CO 0.09 -0.13 0.55 -1.58 -0.36 0.00 0.00 175.35 173.91 1n64 s TRP 148 N 1.06 3.50 -0.17 4.03 0.52 -1.26 0.47 118.94 127.09 1n64 s TRP 148 Ca -0.09 0.35 -0.13 0.00 0.02 0.00 0.00 56.10 56.25 1n64 s TRP 148 Cb -0.14 -1.89 0.05 0.00 -1.15 0.00 0.00 33.47 30.34 1n64 s TRP 148 CO -0.01 0.13 0.43 0.15 0.02 0.00 0.00 176.95 177.66 1n64 s LYS 149 N -4.30 0.47 -0.25 4.98 1.02 0.15 -2.83 119.74 118.97 1n64 s LYS 149 Ca 0.40 0.69 0.02 0.00 0.02 0.00 0.00 55.97 57.10 1n64 s LYS 149 Cb -0.10 0.14 0.05 0.00 -0.52 0.00 0.00 37.83 37.41 1n64 s LYS 149 CO 0.36 -0.10 -0.11 0.42 -0.92 0.00 0.00 175.35 175.00 1n64 s ILE 150 N 0.72 2.30 -1.51 2.17 1.01 0.99 -1.36 121.20 125.51 1n64 s ILE 150 Ca -0.04 -1.48 -0.06 0.00 0.00 0.00 0.00 60.65 59.07 1n64 s ILE 150 Cb -0.05 -2.29 0.01 0.00 0.01 0.00 0.00 42.46 40.14 1n64 s ILE 150 CO -0.05 0.05 0.70 0.47 0.00 0.00 0.00 174.94 176.10 1n64 n ASP 151 N 4.49 -5.95 0.00 3.58 8.00 0.18 -2.20 116.55 124.65 1n64 n ASP 151 Ca -0.15 -0.35 0.00 0.00 0.71 0.00 0.00 54.79 55.00 1n64 n ASP 151 Cb 0.43 -4.79 0.00 0.00 -0.02 0.00 0.00 41.12 36.74 1n64 n ASP 151 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1n64 n GLY 152 N -1.58 1.88 3.80 0.44 0.00 -1.26 -5.02 105.19 103.46 1n64 n GLY 152 Ca -0.08 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.58 1n64 n GLY 152 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1n64 s SER 153 N -2.06 5.93 0.38 1.61 0.01 -0.94 -5.01 113.70 113.62 1n64 s SER 153 Ca 0.00 0.34 -0.26 0.00 1.31 0.00 0.00 55.95 57.34 1n64 s SER 153 Cb 0.00 -1.83 -0.09 0.00 0.21 0.00 0.00 66.02 64.31 1n64 s SER 153 CO 0.00 0.40 1.19 -0.70 0.41 0.00 0.00 173.24 174.53 1n64 s GLU 154 N -0.98 4.15 -0.15 12.44 2.12 -1.26 -0.01 118.70 135.01 1n64 s GLU 154 Ca 0.14 1.90 -0.00 0.00 0.36 0.00 0.00 54.97 57.37 1n64 s GLU 154 Cb -0.12 -2.79 0.03 0.00 0.26 0.00 0.00 34.13 31.52 1n64 s GLU 154 CO 0.03 -0.25 -0.07 0.50 -0.54 0.00 0.00 175.26 174.93 1n64 s ARG 155 N -2.14 1.54 -0.19 4.30 3.00 -1.13 -4.87 118.95 119.46 1n64 s ARG 155 Ca 0.55 -0.43 0.16 0.00 -1.00 0.00 0.00 55.73 55.00 1n64 s ARG 155 Cb -0.32 -1.87 -0.22 0.00 0.00 0.00 0.00 34.95 32.53 1n64 s ARG 155 CO 0.41 -0.36 0.05 0.94 0.00 0.00 0.00 175.30 176.34 1n64 n GLN 156 N 4.89 0.96 -2.04 5.12 7.27 -1.26 -4.39 117.38 127.93 1n64 n GLN 156 Ca -0.12 -0.00 -0.41 0.00 0.07 0.00 0.00 57.00 56.54 1n64 n GLN 156 Cb 0.49 -1.47 -0.02 0.00 2.41 0.00 0.00 30.24 31.65 1n64 n GLN 156 CO 0.00 0.00 0.00 1.21 0.07 0.00 0.00 177.06 178.34 1n64 s ASN 157 N -5.33 6.66 -1.50 1.69 3.84 -1.26 -3.63 114.94 115.42 1n64 s ASN 157 Ca -0.10 2.77 -0.01 0.00 0.21 0.00 0.00 52.86 55.73 1n64 s ASN 157 Cb 0.06 -2.65 0.00 0.00 -0.55 0.00 0.00 41.25 38.10 1n64 s ASN 157 CO 0.75 -0.62 0.17 0.61 -2.79 0.00 0.00 177.10 175.22 1n64 n GLY 158 N 0.71 -0.38 3.73 1.21 0.00 -1.26 -4.87 105.19 104.33 1n64 n GLY 158 Ca 0.00 -0.07 -0.35 0.00 0.00 0.00 0.00 46.02 45.60 1n64 n GLY 158 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1n64 s VAL 159 N -2.97 4.58 -0.08 1.61 0.11 -1.24 -2.36 120.40 120.05 1n64 s VAL 159 Ca 0.09 -0.22 -0.01 0.00 -2.93 0.00 0.00 61.98 58.91 1n64 s VAL 159 Cb -0.04 -2.97 0.03 0.00 -1.53 0.00 0.00 36.38 31.86 1n64 s VAL 159 CO 0.11 0.55 -0.03 -0.22 -3.33 0.00 0.00 175.10 172.18 1n64 s LEU 160 N -1.09 0.91 0.24 2.54 0.20 0.95 -4.97 118.68 117.46 1n64 s LEU 160 Ca 0.16 -0.15 0.10 0.00 0.69 0.00 0.00 54.13 54.92 1n64 s LEU 160 Cb -0.12 -0.56 -0.04 0.00 -0.43 0.00 0.00 46.19 45.04 1n64 s LEU 160 CO 0.05 -0.14 -0.09 0.20 -0.29 0.00 0.00 176.35 176.08 1n64 s ASN 161 N 1.67 4.19 -0.10 3.68 0.01 -1.26 0.09 114.94 123.23 1n64 s ASN 161 Ca 0.01 -0.72 -0.15 0.00 -0.71 0.00 0.00 52.86 51.29 1n64 s ASN 161 Cb -0.13 -0.66 0.03 0.00 0.41 0.00 0.00 41.25 40.91 1n64 s ASN 161 CO -0.05 0.05 0.38 -0.55 -1.51 0.00 0.00 177.10 175.42 1n64 s SER 162 N -3.33 -0.35 -0.01 -1.22 0.15 0.48 -4.98 113.70 104.44 1n64 s SER 162 Ca 0.29 0.54 0.05 0.00 0.70 0.00 0.00 55.95 57.53 1n64 s SER 162 Cb -0.07 0.62 -0.01 0.00 -1.71 0.00 0.00 66.02 64.85 1n64 s SER 162 CO 0.17 -0.27 -0.16 0.26 1.20 0.00 0.00 173.24 174.43 1n64 s TRP 163 N -0.41 1.47 0.59 3.44 0.51 -1.26 -0.47 118.94 122.80 1n64 s TRP 163 Ca -0.05 -0.28 -0.06 0.00 -2.12 0.00 0.00 56.10 53.58 1n64 s TRP 163 Cb -0.03 -0.94 0.01 0.00 -0.81 0.00 0.00 33.47 31.69 1n64 s TRP 163 CO 0.02 -0.02 0.90 0.95 -0.51 0.00 0.00 176.95 178.29 1n64 s THR 164 N -0.41 3.74 0.68 2.01 -4.23 -0.65 -5.03 115.64 111.74 1n64 s THR 164 Ca 0.06 0.03 -0.11 0.00 -1.18 0.00 0.00 61.69 60.49 1n64 s THR 164 Cb -0.06 -3.48 -0.00 0.00 1.34 0.00 0.00 72.50 70.29 1n64 s THR 164 CO -0.00 -0.50 1.06 -1.81 -0.54 0.00 0.00 174.62 172.83 1n64 s ASP 165 N -4.29 5.66 0.21 3.99 1.01 -1.26 -4.58 116.67 117.40 1n64 s ASP 165 Ca 0.54 1.39 -0.32 0.00 0.71 0.00 0.00 52.55 54.87 1n64 s ASP 165 Cb -0.11 -2.31 -0.14 0.00 1.01 0.00 0.00 42.92 41.37 1n64 s ASP 165 CO 0.45 -1.24 1.36 1.67 0.21 0.00 0.00 175.17 177.63 1n64 n GLN 166 N -2.98 1.80 -1.27 8.23 7.27 -1.26 -4.79 117.38 124.38 1n64 n GLN 166 Ca 0.07 0.64 -0.36 0.00 0.07 0.00 0.00 57.00 57.42 1n64 n GLN 166 Cb 0.55 -2.27 0.09 0.00 2.41 0.00 0.00 30.24 31.01 1n64 n GLN 166 CO 0.00 0.00 0.00 -3.47 0.07 0.00 0.00 177.06 173.66 1n64 n ASP 167 N 2.25 -0.22 0.02 1.69 2.03 0.68 -4.88 116.55 118.13 1n64 n ASP 167 Ca 0.13 0.62 -0.19 0.00 0.52 0.00 0.00 54.79 55.87 1n64 n ASP 167 Cb 0.29 -1.33 -0.11 0.00 -0.72 0.00 0.00 41.12 39.24 1n64 n ASP 167 CO 0.00 0.00 0.00 0.77 -1.92 0.00 0.00 177.20 176.05 1n64 h SER 168 N -0.41 0.64 0.00 1.67 4.64 -1.90 -3.11 113.55 115.08 1n64 h SER 168 Ca -0.46 -0.77 0.00 0.00 -0.47 0.00 0.00 61.79 60.09 1n64 h SER 168 Cb 1.33 -0.20 0.00 0.00 -0.31 0.00 0.00 62.40 63.23 1n64 h SER 168 CO 0.45 1.33 -1.43 2.29 -0.87 0.00 0.00 176.83 178.60 1n64 n LYS 169 N -4.10 0.29 -0.01 4.77 0.00 -1.26 -2.98 118.16 114.86 1n64 n LYS 169 Ca -0.11 -0.09 -0.18 0.00 -0.00 0.00 0.00 58.31 57.93 1n64 n LYS 169 Cb 0.75 -1.22 -0.14 0.00 -0.00 0.00 0.00 35.03 34.42 1n64 n LYS 169 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.40 173.93 1n64 n ASP 170 N -1.83 1.82 -0.24 -5.58 2.03 -1.26 -4.97 116.55 106.52 1n64 n ASP 170 Ca -0.02 0.22 -0.03 0.00 0.52 0.00 0.00 54.79 55.48 1n64 n ASP 170 Cb 0.25 -0.63 -0.01 0.00 -0.72 0.00 0.00 41.12 40.00 1n64 n ASP 170 CO 0.00 0.00 0.00 -1.20 -1.92 0.00 0.00 177.20 174.08 1n64 n SER 171 N -3.36 -3.87 -5.01 1.67 7.64 -1.18 -4.96 113.62 104.55 1n64 n SER 171 Ca -0.30 0.08 -0.19 0.00 1.01 0.00 0.00 58.87 59.46 1n64 n SER 171 Cb 1.05 -1.65 0.04 0.00 -1.01 0.00 0.00 64.21 62.64 1n64 n SER 171 CO 0.00 0.00 0.00 0.42 -3.01 0.00 0.00 175.04 172.45 1n64 s THR 172 N -1.95 2.35 0.17 0.44 -4.23 -1.26 -4.58 115.64 106.57 1n64 s THR 172 Ca 0.00 -1.05 0.10 0.00 -1.18 0.00 0.00 61.69 59.56 1n64 s THR 172 Cb 0.00 -2.40 -0.04 0.00 1.34 0.00 0.00 72.50 71.40 1n64 s THR 172 CO 0.00 0.00 -0.22 -0.31 -0.54 0.00 0.00 174.62 173.55 1n64 s TYR 173 N -2.59 2.09 0.06 3.99 1.51 -0.20 -0.23 117.35 121.99 1n64 s TYR 173 Ca 0.58 -0.40 0.04 0.00 -1.01 0.00 0.00 57.07 56.27 1n64 s TYR 173 Cb -0.06 -1.06 -0.03 0.00 -0.11 0.00 0.00 41.96 40.70 1n64 s TYR 173 CO 0.36 0.40 -0.11 -1.12 -1.11 0.00 0.00 175.55 173.96 1n64 s SER 174 N -2.51 1.30 0.13 2.29 0.01 -1.26 -0.61 113.70 113.05 1n64 s SER 174 Ca 0.17 -0.58 0.04 0.00 1.31 0.00 0.00 55.95 56.88 1n64 s SER 174 Cb -0.08 -0.01 -0.04 0.00 0.21 0.00 0.00 66.02 66.10 1n64 s SER 174 CO 0.08 -0.13 -0.10 -0.32 0.41 0.00 0.00 173.24 173.18 1n64 s MET 175 N -1.66 1.00 -0.04 12.44 1.75 0.79 -1.64 119.30 131.95 1n64 s MET 175 Ca -0.06 -1.39 -0.01 0.00 -1.25 0.00 0.00 55.69 52.98 1n64 s MET 175 Cb -0.10 -0.57 0.03 0.00 2.84 0.00 0.00 34.83 37.03 1n64 s MET 175 CO 0.01 0.07 0.04 0.45 -0.65 0.00 0.00 175.02 174.94 1n64 s SER 176 N -3.03 0.75 -0.12 1.11 0.15 0.38 -1.75 113.70 111.19 1n64 s SER 176 Ca 0.14 0.04 0.02 0.00 0.70 0.00 0.00 55.95 56.85 1n64 s SER 176 Cb 0.02 -0.16 0.01 0.00 -1.71 0.00 0.00 66.02 64.18 1n64 s SER 176 CO -0.00 -0.19 -0.17 -0.55 1.20 0.00 0.00 173.24 173.53 1n64 s SER 177 N 1.65 2.63 -0.10 5.45 0.15 -0.61 -0.39 113.70 122.48 1n64 s SER 177 Ca -0.01 -0.48 0.03 0.00 0.70 0.00 0.00 55.95 56.19 1n64 s SER 177 Cb -0.13 -1.19 0.01 0.00 -1.71 0.00 0.00 66.02 63.00 1n64 s SER 177 CO -0.03 0.03 -0.20 -0.89 1.20 0.00 0.00 173.24 173.35 1n64 s THR 178 N 0.98 1.80 -0.20 6.45 2.01 0.11 -1.15 115.64 125.65 1n64 s THR 178 Ca -0.06 -0.85 -0.03 0.00 0.31 0.00 0.00 61.69 61.07 1n64 s THR 178 Cb -0.15 -1.59 -0.01 0.00 0.01 0.00 0.00 72.50 70.77 1n64 s THR 178 CO -0.02 0.50 -0.08 -0.22 -0.69 0.00 0.00 174.62 174.11 1n64 s LEU 179 N 0.60 2.76 0.04 4.42 2.96 0.05 -0.04 118.68 129.47 1n64 s LEU 179 Ca -0.14 -0.41 0.09 0.00 -0.22 0.00 0.00 54.13 53.45 1n64 s LEU 179 Cb -0.17 -1.68 -0.03 0.00 0.50 0.00 0.00 46.19 44.82 1n64 s LEU 179 CO 0.04 0.02 -0.26 0.42 -1.32 0.00 0.00 176.35 175.25 1n64 s THR 180 N 1.24 2.07 0.29 3.68 -4.23 -1.00 0.99 115.64 118.67 1n64 s THR 180 Ca 0.03 -1.33 0.06 0.00 -1.18 0.00 0.00 61.69 59.27 1n64 s THR 180 Cb -0.14 -1.77 -0.02 0.00 1.34 0.00 0.00 72.50 71.91 1n64 s THR 180 CO -0.03 0.38 0.25 0.18 -0.54 0.00 0.00 174.62 174.86 1n64 n LEU 181 N 1.87 0.00 -4.89 4.79 4.77 0.24 -4.80 117.00 118.97 1n64 n LEU 181 Ca -0.17 -2.71 -0.29 0.00 -0.03 0.00 0.00 56.01 52.82 1n64 n LEU 181 Cb 0.52 1.47 0.01 0.00 -2.33 0.00 0.00 43.42 43.09 1n64 n LEU 181 CO 0.23 -0.46 0.57 0.42 -1.33 0.00 0.00 177.39 176.83 1n64 s THR 182 N -3.15 4.51 0.29 -5.08 -4.23 -1.26 -0.86 115.64 105.86 1n64 s THR 182 Ca 0.34 0.41 -0.02 0.00 -1.18 0.00 0.00 61.69 61.23 1n64 s THR 182 Cb 0.02 -3.76 0.24 0.00 1.34 0.00 0.00 72.50 70.34 1n64 s THR 182 CO 0.24 -0.86 1.94 0.50 -0.54 0.00 0.00 174.62 175.90 1n64 h LYS 183 N -0.10 1.06 0.44 3.99 3.64 -1.55 -1.54 116.57 122.52 1n64 h LYS 183 Ca -0.46 -0.09 -0.02 0.00 -1.27 0.00 0.00 60.65 58.82 1n64 h LYS 183 Cb 1.21 -0.23 0.00 0.00 -0.41 0.00 0.00 32.23 32.81 1n64 h LYS 183 CO 0.62 0.73 -0.21 -0.44 -2.27 0.00 0.00 179.45 177.88 1n64 h ASP 184 N 1.09 -0.50 0.37 4.20 3.45 -1.92 -0.35 116.42 122.75 1n64 h ASP 184 Ca 0.29 -0.02 -0.05 0.00 0.43 0.00 0.00 57.03 57.68 1n64 h ASP 184 Cb -0.06 0.13 -0.01 0.00 -0.56 0.00 0.00 39.33 38.83 1n64 h ASP 184 CO -0.06 -0.30 -0.22 1.05 -1.57 0.00 0.00 179.24 178.14 1n64 h GLU 185 N -0.67 0.00 0.00 3.56 4.11 -1.92 -2.01 114.58 117.65 1n64 h GLU 185 Ca -0.06 0.00 -0.13 0.00 0.07 0.00 0.00 59.36 59.24 1n64 h GLU 185 Cb 0.49 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.73 1n64 h GLU 185 CO 0.10 0.22 -0.60 -0.92 0.07 0.00 0.00 179.01 177.88 1n64 h TYR 186 N 0.00 0.00 0.00 2.06 3.20 -1.06 -3.08 116.97 118.09 1n64 h TYR 186 Ca -0.00 0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.87 1n64 h TYR 186 Cb 0.47 0.00 0.00 0.00 1.54 0.00 0.00 36.73 38.74 1n64 h TYR 186 CO 0.00 0.60 0.00 0.39 -1.64 0.00 0.00 178.16 177.51 1n64 n GLU 187 N -3.50 0.20 0.08 1.82 -0.58 -0.16 -3.28 120.64 115.22 1n64 n GLU 187 Ca 0.00 0.29 0.12 0.00 -0.42 0.00 0.00 57.16 57.15 1n64 n GLU 187 Cb 0.67 -1.79 0.15 0.00 -0.57 0.00 0.00 31.44 29.91 1n64 n GLU 187 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1n64 h ARG 188 N 0.00 0.00 -6.28 3.49 3.08 -1.44 -3.47 114.38 109.76 1n64 h ARG 188 Ca 0.00 0.00 -0.59 0.00 0.07 0.00 0.00 59.98 59.46 1n64 h ARG 188 Cb 0.53 0.00 -0.11 0.00 0.08 0.00 0.00 29.97 30.46 1n64 h ARG 188 CO 0.00 0.00 -0.68 -1.01 -1.07 0.00 0.00 179.97 177.21 1n64 s HIS 189 N -3.20 2.62 -0.13 3.04 3.76 -1.20 -5.07 115.29 115.10 1n64 s HIS 189 Ca 0.05 -0.24 -0.10 0.00 -0.15 0.00 0.00 55.06 54.63 1n64 s HIS 189 Cb 0.12 -1.20 -0.06 0.00 1.11 0.00 0.00 32.58 32.56 1n64 s HIS 189 CO 0.72 0.60 -0.23 -1.71 -0.85 0.00 0.00 174.74 173.27 1n64 n ASN 190 N -0.56 1.45 -4.80 1.40 5.15 -1.26 -4.67 115.26 111.96 1n64 n ASN 190 Ca -0.08 0.24 -0.38 0.00 -0.60 0.00 0.00 54.58 53.76 1n64 n ASN 190 Cb 0.58 -0.56 -0.06 0.00 -0.53 0.00 0.00 39.78 39.21 1n64 n ASN 190 CO 0.00 0.00 0.00 -0.55 1.40 0.00 0.00 177.26 178.11 1n64 s SER 191 N -6.31 6.86 -0.04 1.20 0.15 -1.26 0.31 113.70 114.62 1n64 s SER 191 Ca -0.22 1.03 -0.01 0.00 0.70 0.00 0.00 55.95 57.44 1n64 s SER 191 Cb 0.06 -2.29 0.03 0.00 -1.71 0.00 0.00 66.02 62.11 1n64 s SER 191 CO 0.30 0.24 0.04 -0.31 1.20 0.00 0.00 173.24 174.71 1n64 s TYR 192 N -0.70 0.13 -0.04 3.44 2.02 -1.14 -0.64 117.35 120.42 1n64 s TYR 192 Ca 0.26 0.18 -0.09 0.00 -0.37 0.00 0.00 57.07 57.05 1n64 s TYR 192 Cb -0.17 -0.46 0.01 0.00 -0.40 0.00 0.00 41.96 40.94 1n64 s TYR 192 CO 0.14 -0.18 0.21 0.95 -1.57 0.00 0.00 175.55 175.10 1n64 s THR 193 N 1.87 0.04 -0.09 -0.71 -4.23 -0.47 -2.37 115.64 109.68 1n64 s THR 193 Ca 0.01 -0.35 0.03 0.00 -1.18 0.00 0.00 61.69 60.20 1n64 s THR 193 Cb -0.12 -0.42 -0.01 0.00 1.34 0.00 0.00 72.50 73.29 1n64 s THR 193 CO -0.03 -0.19 -0.18 0.00 -0.54 0.00 0.00 174.62 173.68 1n64 s GLU 195 N -0.02 3.20 -0.18 0.00 2.02 0.18 -3.11 118.70 120.78 1n64 s GLU 195 Ca -0.05 -0.67 -0.02 0.00 0.02 0.00 0.00 54.97 54.25 1n64 s GLU 195 Cb -0.14 -2.60 -0.01 0.00 0.10 0.00 0.00 34.13 31.48 1n64 s GLU 195 CO 0.05 0.32 -0.09 0.00 0.02 0.00 0.00 175.26 175.55 1n64 s ALA 196 N 0.07 2.69 -0.26 5.21 0.00 -0.81 -0.65 121.76 128.01 1n64 s ALA 196 Ca -0.05 -1.06 -0.05 0.00 0.00 0.00 0.00 51.96 50.81 1n64 s ALA 196 Cb -0.14 -1.45 0.01 0.00 0.00 0.00 0.00 23.12 21.53 1n64 s ALA 196 CO 0.04 -0.15 0.01 0.99 0.00 0.00 0.00 175.76 176.65 1n64 s THR 197 N 1.01 3.54 0.00 0.00 2.01 -0.73 -1.44 115.64 120.02 1n64 s THR 197 Ca -0.01 -0.68 0.00 0.00 0.31 0.00 0.00 61.69 61.32 1n64 s THR 197 Cb -0.15 -2.74 0.00 0.00 0.01 0.00 0.00 72.50 69.62 1n64 s THR 197 CO -0.01 0.23 0.00 1.57 -0.69 0.00 0.00 174.62 175.72 1n64 n HIS 198 N 4.80 0.00 0.00 4.92 -0.00 -1.26 -2.71 115.22 120.97 1n64 n HIS 198 Ca -0.16 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.02 1n64 n HIS 198 Cb 0.49 0.00 0.00 0.00 -0.12 0.00 0.00 29.99 30.36 1n64 n HIS 198 CO 0.00 0.00 0.00 1.17 0.46 0.00 0.00 176.34 177.97 1n64 n LYS 199 N 0.00 0.10 0.00 1.57 4.81 -1.26 -4.81 118.16 118.56 1n64 n LYS 199 Ca 0.00 0.00 0.03 0.00 -0.87 0.00 0.00 58.31 57.47 1n64 n LYS 199 Cb 0.00 -0.51 0.20 0.00 0.02 0.00 0.00 35.03 34.74 1n64 n LYS 199 CO 0.00 0.00 0.00 0.25 1.17 0.00 0.00 177.40 178.82 1n64 n THR 200 N -0.54 0.00 -3.64 3.15 -2.24 -1.26 -4.69 114.28 105.06 1n64 n THR 200 Ca 0.00 0.00 -0.07 0.00 -2.27 0.00 0.00 64.05 61.71 1n64 n THR 200 Cb 0.01 -0.66 -0.07 0.00 -2.10 0.00 0.00 70.33 67.52 1n64 n THR 200 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 1n64 s SER 201 N -1.88 -0.37 0.29 3.42 1.04 -1.26 -4.99 113.70 109.94 1n64 s SER 201 Ca 0.10 0.69 0.12 0.00 0.48 0.00 0.00 55.95 57.33 1n64 s SER 201 Cb 0.05 0.78 0.40 0.00 0.10 0.00 0.00 66.02 67.35 1n64 s SER 201 CO 0.08 -0.12 1.63 0.71 0.98 0.00 0.00 173.24 176.52 1n64 h THR 202 N 3.75 1.37 -3.16 2.02 1.35 -1.96 -3.42 112.91 112.86 1n64 h THR 202 Ca -0.28 -2.03 -0.60 0.00 -0.55 0.00 0.00 66.41 62.95 1n64 h THR 202 Cb 1.18 2.11 -0.08 0.00 -1.73 0.00 0.00 68.15 69.64 1n64 h THR 202 CO 0.14 0.57 -0.25 -0.94 -0.25 0.00 0.00 175.52 174.79 1n64 s SER 203 N -6.79 6.61 0.40 5.36 1.04 -1.26 -5.06 113.70 114.00 1n64 s SER 203 Ca -0.01 0.72 -0.26 0.00 0.48 0.00 0.00 55.95 56.88 1n64 s SER 203 Cb 0.12 -2.22 -0.09 0.00 0.10 0.00 0.00 66.02 63.93 1n64 s SER 203 CO 0.75 0.18 1.35 -2.84 0.98 0.00 0.00 173.24 173.66 1n64 s PRO 204 N -0.13 3.97 -0.09 4.02 0.02 -1.26 -4.93 135.00 136.61 1n64 s PRO 204 Ca 0.21 2.28 -0.28 0.00 0.02 0.00 0.00 61.00 63.23 1n64 s PRO 204 Cb -0.15 -2.80 -0.02 0.00 0.02 0.00 0.00 34.50 31.55 1n64 s PRO 204 CO 0.08 -0.54 0.92 -1.50 -0.33 0.00 0.00 177.00 175.63 1n64 s ILE 205 N -1.22 4.86 0.12 2.83 1.10 -0.52 -4.89 121.20 123.48 1n64 s ILE 205 Ca 0.56 1.87 0.10 0.00 -0.51 0.00 0.00 60.65 62.67 1n64 s ILE 205 Cb -0.41 -4.24 -0.04 0.00 0.15 0.00 0.00 42.46 37.93 1n64 s ILE 205 CO 0.53 0.08 -0.24 0.68 -2.11 0.00 0.00 174.94 173.88 1n64 s VAL 206 N 1.62 2.41 -0.10 4.00 -7.23 -1.26 -1.92 120.40 117.93 1n64 s VAL 206 Ca 0.45 -1.64 -0.04 0.00 -1.81 0.00 0.00 61.98 58.94 1n64 s VAL 206 Cb -0.18 -2.07 0.05 0.00 0.56 0.00 0.00 36.38 34.74 1n64 s VAL 206 CO 0.19 0.13 0.19 -0.54 -0.31 0.00 0.00 175.10 174.75 1n64 s LYS 207 N -1.99 0.06 0.26 4.82 -0.14 -1.18 -5.04 119.74 116.54 1n64 s LYS 207 Ca 0.15 0.61 0.02 0.00 -1.36 0.00 0.00 55.97 55.39 1n64 s LYS 207 Cb -0.10 -0.22 -0.05 0.00 -1.68 0.00 0.00 37.83 35.78 1n64 s LYS 207 CO 0.07 -0.30 0.07 0.45 -0.76 0.00 0.00 175.35 174.88 1n64 s SER 208 N 2.33 1.48 -0.24 2.83 0.15 -1.26 -2.26 113.70 116.74 1n64 s SER 208 Ca 0.03 -1.35 -0.26 0.00 0.70 0.00 0.00 55.95 55.06 1n64 s SER 208 Cb -0.12 0.10 0.08 0.00 -1.71 0.00 0.00 66.02 64.37 1n64 s SER 208 CO -0.06 -0.68 0.76 0.72 1.20 0.00 0.00 173.24 175.18 1n64 s PHE 209 N -3.63 -0.72 -0.18 3.44 -0.12 -1.00 -5.01 117.98 110.77 1n64 s PHE 209 Ca 0.36 1.67 -0.08 0.00 -0.05 0.00 0.00 56.93 58.82 1n64 s PHE 209 Cb 0.08 0.31 -0.04 0.00 -0.63 0.00 0.00 43.02 42.73 1n64 s PHE 209 CO 0.13 -0.39 0.10 -0.80 -0.05 0.00 0.00 175.22 174.20 1n64 s ASN 210 N 0.08 5.95 0.10 1.98 -0.87 -1.26 -2.89 114.94 118.03 1n64 s ASN 210 Ca -0.01 0.19 0.05 0.00 -1.57 0.00 0.00 52.86 51.51 1n64 s ASN 210 Cb -0.04 -2.01 0.25 0.00 -0.02 0.00 0.00 41.25 39.43 1n64 s ASN 210 CO 0.01 0.21 1.01 -1.14 -2.57 0.00 0.00 177.10 174.63 1n64 n ARG 211 N 3.29 0.03 0.00 -0.60 0.63 0.15 -2.69 116.66 117.47 1n64 n ARG 211 Ca -0.17 0.42 0.00 0.00 -0.92 0.00 0.00 57.85 57.18 1n64 n ARG 211 Cb 0.52 -1.78 0.00 0.00 0.45 0.00 0.00 32.46 31.66 1n64 n ARG 211 CO 0.00 0.00 0.00 0.09 -2.51 0.00 0.00 177.63 175.21 1n64 n ASN 212 N -1.58 0.00 0.20 6.15 5.03 -1.26 -3.47 115.26 120.32 1n64 n ASN 212 Ca -0.00 0.70 0.13 0.00 0.87 0.00 0.00 54.58 56.27 1n64 n ASN 212 Cb 0.18 -0.47 0.69 0.00 -1.02 0.00 0.00 39.78 39.17 1n64 n ASN 212 CO 0.00 0.00 0.00 -0.33 -1.83 0.00 0.00 177.26 175.10 1n64 h GLU 213 N 0.00 0.00 -0.02 3.52 3.07 -1.94 -3.55 114.58 115.66 1n64 h GLU 213 Ca 0.00 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.86 1n64 h GLU 213 Cb 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 27.91 1n64 h GLU 213 CO 0.00 0.00 0.00 0.00 -1.40 0.00 0.00 179.01 177.61