#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1gig n ALA 2 N 0.00 -2.62 -4.11 1.69 0.00 -1.26 -5.06 120.51 109.15 1gig n ALA 2 Ca 0.00 0.05 -0.33 0.00 0.00 0.00 0.00 53.44 53.16 1gig n ALA 2 Cb 0.00 -0.20 -0.16 0.00 0.00 0.00 0.00 19.45 19.09 1gig n ALA 2 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1gig s VAL 3 N -1.61 2.05 -0.18 0.00 1.01 -1.26 -4.97 120.40 115.44 1gig s VAL 3 Ca 0.01 -0.96 -0.07 0.00 0.00 0.00 0.00 61.98 60.96 1gig s VAL 3 Cb -0.00 -1.87 -0.04 0.00 0.00 0.00 0.00 36.38 34.47 1gig s VAL 3 CO 0.05 0.51 0.05 -0.69 0.00 0.00 0.00 175.10 175.02 1gig s VAL 4 N 1.29 4.69 0.12 2.92 1.01 -1.26 -0.99 120.40 128.18 1gig s VAL 4 Ca 0.04 -0.07 0.10 0.00 0.00 0.00 0.00 61.98 62.06 1gig s VAL 4 Cb -0.13 -3.11 -0.04 0.00 0.00 0.00 0.00 36.38 33.10 1gig s VAL 4 CO -0.13 0.46 -0.25 0.42 0.00 0.00 0.00 175.10 175.60 1gig s THR 5 N 0.38 2.11 0.09 3.92 -4.23 0.29 -4.00 115.64 114.20 1gig s THR 5 Ca 0.02 -1.70 0.02 0.00 -1.18 0.00 0.00 61.69 58.85 1gig s THR 5 Cb -0.13 -1.88 -0.04 0.00 1.34 0.00 0.00 72.50 71.80 1gig s THR 5 CO 0.00 0.05 -0.06 -1.10 -0.54 0.00 0.00 174.62 172.97 1gig s GLN 6 N -2.01 0.78 0.64 3.99 -0.21 -1.26 -0.29 119.66 121.30 1gig s GLN 6 Ca 0.12 -1.26 -0.18 0.00 0.02 0.00 0.00 55.36 54.06 1gig s GLN 6 Cb -0.10 -0.19 -0.02 0.00 1.00 0.00 0.00 33.01 33.71 1gig s GLN 6 CO 0.05 -0.02 1.27 -1.21 -2.12 0.00 0.00 175.29 173.26 1gig s GLU 7 N -3.57 2.65 0.01 2.91 8.01 -1.26 -4.85 118.70 122.60 1gig s GLU 7 Ca 0.09 1.98 0.14 0.00 0.01 0.00 0.00 54.97 57.19 1gig s GLU 7 Cb 0.04 -1.87 -0.19 0.00 -4.31 0.00 0.00 34.13 27.80 1gig s GLU 7 CO -0.05 -1.50 0.78 0.66 0.01 0.00 0.00 175.26 175.17 1gig h SER 8 N 0.60 0.00 -4.14 -0.19 4.64 -1.95 -3.35 113.55 109.16 1gig h SER 8 Ca -0.51 0.00 -0.14 0.00 -0.47 0.00 0.00 61.79 60.67 1gig h SER 8 Cb 1.32 0.00 -0.24 0.00 -0.31 0.00 0.00 62.40 63.18 1gig h SER 8 CO 0.53 0.84 -0.34 0.00 -0.87 0.00 0.00 176.83 176.99 1gig s ALA 9 N -2.73 -0.76 0.03 5.18 0.00 -1.26 -1.53 121.76 120.70 1gig s ALA 9 Ca -0.03 0.72 -0.05 0.00 0.00 0.00 0.00 51.96 52.60 1gig s ALA 9 Cb 0.08 -0.36 -0.01 0.00 0.00 0.00 0.00 23.12 22.83 1gig s ALA 9 CO 0.82 -0.17 0.08 -0.51 0.00 0.00 0.00 175.76 175.97 1gig s LEU 10 N -0.22 1.87 0.00 0.00 1.02 0.28 -4.91 118.68 116.72 1gig s LEU 10 Ca -0.04 -0.54 -0.00 0.00 0.02 0.00 0.00 54.13 53.58 1gig s LEU 10 Cb -0.03 0.54 -0.00 0.00 0.02 0.00 0.00 46.19 46.71 1gig s LEU 10 CO 0.01 -0.49 -0.00 0.28 0.02 0.00 0.00 176.35 176.18 1gig s THR 11 N -2.50 0.00 0.33 5.49 -1.32 -1.26 -1.20 115.64 115.19 1gig s THR 11 Ca -0.06 -0.03 0.04 0.00 -1.21 0.00 0.00 61.69 60.43 1gig s THR 11 Cb -0.02 -0.02 -0.01 0.00 -1.51 0.00 0.00 72.50 70.94 1gig s THR 11 CO -0.04 -0.02 0.36 1.07 -2.21 0.00 0.00 174.62 173.78 1gig n THR 12 N 3.03 0.00 -4.12 5.08 5.66 0.84 -4.94 114.28 119.84 1gig n THR 12 Ca -0.12 -2.12 -0.11 0.00 -3.05 0.00 0.00 64.05 58.64 1gig n THR 12 Cb 0.60 1.14 -0.11 0.00 -1.55 0.00 0.00 70.33 70.42 1gig n THR 12 CO 0.00 0.00 0.00 -0.94 -3.05 0.00 0.00 175.07 171.08 1gig s SER 13 N -3.22 0.96 0.23 1.09 1.04 -1.26 0.26 113.70 112.80 1gig s SER 13 Ca 0.35 -0.80 -0.31 0.00 0.48 0.00 0.00 55.95 55.66 1gig s SER 13 Cb 0.01 0.08 -0.14 0.00 0.10 0.00 0.00 66.02 66.06 1gig s SER 13 CO 0.25 -0.36 1.34 -2.65 0.98 0.00 0.00 173.24 172.80 1gig n PRO 14 N 0.63 1.82 0.00 4.02 -0.02 -1.26 -2.01 135.00 138.19 1gig n PRO 14 Ca -0.17 0.65 0.00 0.00 -2.02 0.00 0.00 63.50 61.96 1gig n PRO 14 Cb 0.58 -2.26 0.00 0.00 -0.02 0.00 0.00 33.50 31.80 1gig n PRO 14 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1gig n GLY 15 N 2.09 1.84 3.93 -1.23 0.00 0.11 -4.90 105.19 107.02 1gig n GLY 15 Ca 0.12 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.89 1gig n GLY 15 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1gig s GLU 16 N -0.51 2.86 -0.14 1.61 0.41 -0.85 -4.17 118.70 117.90 1gig s GLU 16 Ca 0.00 -0.23 -0.09 0.00 -0.41 0.00 0.00 54.97 54.24 1gig s GLU 16 Cb 0.00 -2.36 -0.05 0.00 -1.78 0.00 0.00 34.13 29.95 1gig s GLU 16 CO 0.00 -0.64 0.17 0.99 -0.49 0.00 0.00 175.26 175.29 1gig s THR 17 N -2.88 5.42 -0.01 3.63 2.01 -1.26 -1.28 115.64 121.28 1gig s THR 17 Ca 0.53 0.28 0.03 0.00 0.31 0.00 0.00 61.69 62.84 1gig s THR 17 Cb -0.10 -3.47 -0.01 0.00 0.01 0.00 0.00 72.50 68.93 1gig s THR 17 CO 0.42 0.53 -0.11 -0.69 -0.69 0.00 0.00 174.62 174.09 1gig s VAL 18 N -0.41 0.89 -0.13 3.82 1.01 -0.86 -4.98 120.40 119.74 1gig s VAL 18 Ca 0.13 -0.47 0.03 0.00 0.00 0.00 0.00 61.98 61.67 1gig s VAL 18 Cb -0.12 -0.76 0.00 0.00 0.00 0.00 0.00 36.38 35.51 1gig s VAL 18 CO 0.03 0.26 -0.21 -0.89 0.00 0.00 0.00 175.10 174.28 1gig s THR 19 N -0.16 2.20 -0.07 3.92 2.01 -1.26 -1.42 115.64 120.86 1gig s THR 19 Ca 0.02 -0.95 -0.01 0.00 0.31 0.00 0.00 61.69 61.07 1gig s THR 19 Cb -0.06 -1.87 -0.03 0.00 0.01 0.00 0.00 72.50 70.55 1gig s THR 19 CO -0.00 0.55 -0.00 -0.76 -0.69 0.00 0.00 174.62 173.71 1gig s LEU 20 N 0.61 3.54 0.25 4.42 1.43 0.44 -4.97 118.68 124.39 1gig s LEU 20 Ca -0.12 0.11 0.11 0.00 -1.03 0.00 0.00 54.13 53.20 1gig s LEU 20 Cb -0.16 -1.84 -0.05 0.00 0.03 0.00 0.00 46.19 44.17 1gig s LEU 20 CO 0.03 0.36 -0.19 0.42 0.23 0.00 0.00 176.35 177.20 1gig s THR 21 N -0.91 2.27 -0.07 5.49 -4.23 -1.26 -1.39 115.64 115.54 1gig s THR 21 Ca 0.14 -2.29 -0.02 0.00 -1.18 0.00 0.00 61.69 58.34 1gig s THR 21 Cb -0.11 -2.20 0.03 0.00 1.34 0.00 0.00 72.50 71.56 1gig s THR 21 CO 0.03 -0.40 0.03 0.00 -0.54 0.00 0.00 174.62 173.75 1gig s ARG 23 N 2.06 2.31 -0.16 0.00 3.52 0.60 -1.49 118.95 125.79 1gig s ARG 23 Ca 0.05 -0.82 -0.10 0.00 -0.13 0.00 0.00 55.73 54.73 1gig s ARG 23 Cb -0.13 -2.26 -0.05 0.00 -1.56 0.00 0.00 34.95 30.96 1gig s ARG 23 CO -0.05 0.59 0.18 0.45 -0.81 0.00 0.00 175.30 175.67 1gig s SER 24 N -0.89 6.34 0.36 -2.12 0.15 -1.26 -0.54 113.70 115.73 1gig s SER 24 Ca 0.12 0.39 0.09 0.00 0.70 0.00 0.00 55.95 57.25 1gig s SER 24 Cb -0.10 -2.11 0.67 0.00 -1.71 0.00 0.00 66.02 62.77 1gig s SER 24 CO 0.01 0.23 1.84 0.77 1.20 0.00 0.00 173.24 177.29 1gig h SER 25 N 6.13 0.22 1.09 5.45 4.64 -1.44 -3.15 113.55 126.49 1gig h SER 25 Ca -0.45 -0.06 -0.01 0.00 -0.47 0.00 0.00 61.79 60.79 1gig h SER 25 Cb 1.18 -0.06 -0.00 0.00 -0.31 0.00 0.00 62.40 63.21 1gig h SER 25 CO 0.71 0.46 -0.06 0.74 -0.87 0.00 0.00 176.83 177.81 1gig h THR 26 N 0.20 0.15 0.00 2.95 2.02 -1.94 -3.48 112.91 112.82 1gig h THR 26 Ca 0.03 -0.73 0.00 0.00 0.77 0.00 0.00 66.41 66.49 1gig h THR 26 Cb 0.53 1.63 0.00 0.00 -1.74 0.00 0.00 68.15 68.57 1gig h THR 26 CO 0.04 0.06 0.00 0.61 0.37 0.00 0.00 175.52 176.60 1gig n GLY 27 N 0.17 -0.35 3.77 2.16 0.00 -1.19 -5.11 105.19 104.64 1gig n GLY 27 Ca 0.01 -1.35 -0.37 0.00 0.00 0.00 0.00 46.02 44.30 1gig n GLY 27 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1gig s ALA 28 N -1.00 2.94 0.12 4.61 0.00 -1.26 -4.20 121.76 122.96 1gig s ALA 28 Ca 0.00 1.01 -0.28 0.00 0.00 0.00 0.00 51.96 52.69 1gig s ALA 28 Cb 0.00 -3.42 -0.06 0.00 0.00 0.00 0.00 23.12 19.64 1gig s ALA 28 CO 0.00 -0.80 0.90 0.08 0.00 0.00 0.00 175.76 175.94 1gig s VAL 29 N -1.50 4.48 0.36 0.00 1.01 0.89 -4.98 120.40 120.67 1gig s VAL 29 Ca 0.65 1.95 0.06 0.00 0.00 0.00 0.00 61.98 64.64 1gig s VAL 29 Cb -0.31 -4.26 -0.07 0.00 0.00 0.00 0.00 36.38 31.74 1gig s VAL 29 CO 0.37 0.37 0.00 -0.89 0.00 0.00 0.00 175.10 174.95 1gig s THR 30 N -0.26 1.77 0.25 3.92 2.01 -1.26 -4.60 115.64 117.46 1gig s THR 30 Ca 0.43 -2.04 -0.06 0.00 0.31 0.00 0.00 61.69 60.33 1gig s THR 30 Cb -0.23 -2.84 0.25 0.00 0.01 0.00 0.00 72.50 69.69 1gig s THR 30 CO 0.28 -0.06 1.92 0.74 -0.69 0.00 0.00 174.62 176.81 1gig h THR 31 N 1.96 1.23 0.00 -0.82 2.02 -1.99 -2.05 112.91 113.25 1gig h THR 31 Ca -0.42 -0.44 0.00 0.00 0.77 0.00 0.00 66.41 66.31 1gig h THR 31 Cb 1.24 -0.18 0.00 0.00 -1.74 0.00 0.00 68.15 67.48 1gig h THR 31 CO 0.75 0.24 0.00 -1.20 0.37 0.00 0.00 175.52 175.67 1gig n SER 32 N -4.43 0.00 -0.02 4.18 7.64 -1.26 -1.34 113.62 118.40 1gig n SER 32 Ca 0.12 0.34 0.12 0.00 1.01 0.00 0.00 58.87 60.45 1gig n SER 32 Cb 0.03 -0.38 0.18 0.00 -1.01 0.00 0.00 64.21 63.04 1gig n SER 32 CO 0.00 0.00 0.00 0.59 -3.01 0.00 0.00 175.04 172.62 1gig n ASN 33 N -1.38 0.63 -4.16 6.43 4.13 -0.77 -4.81 115.26 115.34 1gig n ASN 33 Ca 0.02 -0.44 -0.29 0.00 1.68 0.00 0.00 54.58 55.56 1gig n ASN 33 Cb 0.05 0.39 -0.07 0.00 -1.54 0.00 0.00 39.78 38.62 1gig n ASN 33 CO 0.00 0.00 0.00 -1.22 0.28 0.00 0.00 177.26 176.32 1gig n TYR 34 N -1.45 -1.42 -1.65 3.10 4.01 -0.45 0.01 117.16 119.30 1gig n TYR 34 Ca 0.06 0.66 -0.61 0.00 -0.16 0.00 0.00 57.90 57.84 1gig n TYR 34 Cb 0.34 -3.19 -0.08 0.00 -0.31 0.00 0.00 39.34 36.09 1gig n TYR 34 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1gig n ALA 35 N -4.52 -1.67 -2.68 -0.72 0.00 -1.26 -3.45 120.51 106.21 1gig n ALA 35 Ca -0.32 0.50 -0.33 0.00 0.00 0.00 0.00 53.44 53.29 1gig n ALA 35 Cb 0.69 -1.96 -0.13 0.00 0.00 0.00 0.00 19.45 18.05 1gig n ALA 35 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.50 176.70 1gig s ASN 36 N 1.97 4.28 -0.17 0.00 0.02 -0.89 -0.52 114.94 119.63 1gig s ASN 36 Ca 0.97 -0.16 0.01 0.00 -1.02 0.00 0.00 52.86 52.65 1gig s ASN 36 Cb -1.27 -1.19 0.02 0.00 0.02 0.00 0.00 41.25 38.83 1gig s ASN 36 CO 0.67 0.30 -0.18 0.26 0.02 0.00 0.00 177.10 178.17 1gig s TRP 37 N -0.42 2.60 -0.08 2.20 0.52 -0.66 -1.81 118.94 121.29 1gig s TRP 37 Ca 0.05 -1.54 0.02 0.00 0.02 0.00 0.00 56.10 54.65 1gig s TRP 37 Cb -0.12 -1.82 -0.02 0.00 -1.15 0.00 0.00 33.47 30.36 1gig s TRP 37 CO 0.02 -0.77 -0.12 0.08 0.02 0.00 0.00 176.95 176.18 1gig s VAL 38 N 1.35 3.22 -0.17 4.03 1.01 0.03 -0.75 120.40 129.11 1gig s VAL 38 Ca 0.04 -0.65 -0.06 0.00 0.00 0.00 0.00 61.98 61.32 1gig s VAL 38 Cb -0.13 -2.30 -0.03 0.00 0.00 0.00 0.00 36.38 33.91 1gig s VAL 38 CO -0.12 0.57 0.01 -1.58 0.00 0.00 0.00 175.10 173.98 1gig s GLN 39 N -0.42 3.82 -0.27 2.72 0.74 0.23 -0.87 119.66 125.61 1gig s GLN 39 Ca 0.05 -0.43 -0.08 0.00 0.05 0.00 0.00 55.36 54.95 1gig s GLN 39 Cb -0.12 -3.06 -0.02 0.00 1.10 0.00 0.00 33.01 30.91 1gig s GLN 39 CO 0.02 0.26 0.10 -2.00 -0.55 0.00 0.00 175.29 173.12 1gig s GLU 40 N 0.35 3.56 -0.00 1.67 2.12 -0.44 -0.65 118.70 125.31 1gig s GLU 40 Ca -0.01 -0.55 0.02 0.00 0.36 0.00 0.00 54.97 54.80 1gig s GLU 40 Cb -0.13 -3.41 -0.03 0.00 0.26 0.00 0.00 34.13 30.81 1gig s GLU 40 CO 0.02 -0.26 -0.05 0.15 -0.54 0.00 0.00 175.26 174.58 1gig s LYS 41 N 1.62 2.64 -0.18 4.30 -0.14 0.11 -2.29 119.74 125.80 1gig s LYS 41 Ca 0.06 -0.67 -0.41 0.00 -1.36 0.00 0.00 55.97 53.58 1gig s LYS 41 Cb -0.16 -2.56 -0.18 0.00 -1.68 0.00 0.00 37.83 33.25 1gig s LYS 41 CO 0.05 0.61 1.46 -2.30 -0.76 0.00 0.00 175.35 174.41 1gig n PRO 42 N 1.56 0.63 -1.97 -1.68 -0.02 -1.26 -1.32 135.00 130.93 1gig n PRO 42 Ca -0.15 0.23 -0.01 0.00 -2.02 0.00 0.00 63.50 61.54 1gig n PRO 42 Cb 0.53 -1.82 0.00 0.00 -0.02 0.00 0.00 33.50 32.19 1gig n PRO 42 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 1gig n ASP 43 N 3.49 -3.88 -3.90 2.55 9.92 -1.26 -4.54 116.55 118.94 1gig n ASP 43 Ca 0.24 0.06 -0.25 0.00 -0.53 0.00 0.00 54.79 54.32 1gig n ASP 43 Cb 0.09 -2.39 0.01 0.00 -0.64 0.00 0.00 41.12 38.18 1gig n ASP 43 CO 0.00 0.00 0.00 1.41 0.13 0.00 0.00 177.20 178.74 1gig n HIS 44 N -0.89 -0.71 -3.61 1.24 8.25 -1.15 -4.94 115.22 113.41 1gig n HIS 44 Ca 0.02 0.04 -0.40 0.00 -0.26 0.00 0.00 57.72 57.11 1gig n HIS 44 Cb 0.35 -1.45 -0.11 0.00 1.12 0.00 0.00 29.99 29.90 1gig n HIS 44 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 1gig s LEU 45 N -6.27 4.58 -0.16 2.41 1.43 -0.43 -4.98 118.68 115.27 1gig s LEU 45 Ca 0.25 -0.88 -0.05 0.00 -1.03 0.00 0.00 54.13 52.42 1gig s LEU 45 Cb -0.14 -2.02 -0.03 0.00 0.03 0.00 0.00 46.19 44.03 1gig s LEU 45 CO 0.52 -0.34 0.00 -0.36 0.23 0.00 0.00 176.35 176.40 1gig s PHE 46 N 1.57 3.12 -0.05 0.29 0.08 -1.25 0.09 117.98 121.83 1gig s PHE 46 Ca 0.03 -0.11 0.01 0.00 0.12 0.00 0.00 56.93 56.97 1gig s PHE 46 Cb -0.19 -1.99 0.02 0.00 -0.57 0.00 0.00 43.02 40.30 1gig s PHE 46 CO 0.07 0.08 -0.04 0.99 -0.10 0.00 0.00 175.22 176.22 1gig s THR 47 N 0.24 0.54 -0.11 0.64 2.01 0.18 -4.96 115.64 114.19 1gig s THR 47 Ca 0.00 -0.11 -0.30 0.00 0.31 0.00 0.00 61.69 61.60 1gig s THR 47 Cb -0.13 -0.58 -0.01 0.00 0.01 0.00 0.00 72.50 71.78 1gig s THR 47 CO 0.02 0.23 1.05 -0.83 -0.69 0.00 0.00 174.62 174.40 1gig s GLY 48 N 1.04 2.25 -0.25 4.40 0.00 -1.26 0.75 107.32 114.25 1gig s GLY 48 Ca -0.09 0.40 -0.15 0.00 0.00 0.00 0.00 44.72 44.88 1gig s GLY 48 CO -0.01 2.00 -0.34 1.04 0.00 0.00 0.00 173.10 175.79 1gig n LEU 49 N 5.17 1.95 -4.10 0.66 4.32 0.07 -4.75 117.00 120.32 1gig n LEU 49 Ca 0.09 0.34 -0.21 0.00 -0.02 0.00 0.00 56.01 56.22 1gig n LEU 49 Cb 0.48 -0.80 -0.14 0.00 -1.62 0.00 0.00 43.42 41.34 1gig n LEU 49 CO 0.53 0.30 -0.46 -0.63 -1.22 0.00 0.00 177.39 175.91 1gig s ILE 50 N -2.63 1.01 0.13 -0.08 1.01 -1.20 -0.95 121.20 118.50 1gig s ILE 50 Ca -0.35 -0.68 0.04 0.00 0.00 0.00 0.00 60.65 59.65 1gig s ILE 50 Cb 0.11 -0.87 -0.04 0.00 0.01 0.00 0.00 42.46 41.67 1gig s ILE 50 CO 0.47 0.18 -0.10 -0.83 0.00 0.00 0.00 174.94 174.66 1gig s GLY 51 N -0.57 1.01 -1.36 6.18 0.00 0.15 -1.66 107.32 111.07 1gig s GLY 51 Ca 0.04 -1.41 -0.06 0.00 0.00 0.00 0.00 44.72 43.28 1gig s GLY 51 CO 0.00 -1.51 0.46 0.61 0.00 0.00 0.00 173.10 172.66 1gig n GLY 52 N 0.00 -0.39 5.00 0.20 0.00 -1.11 -1.62 105.19 107.28 1gig n GLY 52 Ca -0.12 0.22 0.00 0.00 0.00 0.00 0.00 46.02 46.12 1gig n GLY 52 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1gig n THR 53 N -4.43 0.00 -1.68 2.61 -1.04 0.32 -4.11 114.28 105.96 1gig n THR 53 Ca -0.26 0.00 0.02 0.00 -2.04 0.00 0.00 64.05 61.77 1gig n THR 53 Cb 0.66 0.00 0.03 0.00 -1.82 0.00 0.00 70.33 69.20 1gig n THR 53 CO 0.00 0.00 0.00 -0.46 -0.64 0.00 0.00 175.07 173.97 1gig n ASN 54 N 2.02 0.57 -4.40 8.00 2.04 -1.22 -3.52 115.26 118.75 1gig n ASN 54 Ca 0.00 -2.17 -0.42 0.00 -0.44 0.00 0.00 54.58 51.54 1gig n ASN 54 Cb 0.00 -0.23 -0.10 0.00 -2.53 0.00 0.00 39.78 36.92 1gig n ASN 54 CO 0.00 0.00 0.00 0.20 -0.44 0.00 0.00 177.26 177.02 1gig s ASN 55 N -1.35 5.97 0.16 0.53 -0.87 -0.64 -4.58 114.94 114.16 1gig s ASN 55 Ca 0.07 -1.11 -0.31 0.00 -1.57 0.00 0.00 52.86 49.95 1gig s ASN 55 Cb 0.06 -2.11 -0.08 0.00 -0.02 0.00 0.00 41.25 39.10 1gig s ASN 55 CO 0.01 -0.49 1.34 -0.60 -2.57 0.00 0.00 177.10 174.78 1gig s ARG 56 N 1.61 4.36 0.69 -0.60 3.52 -1.26 -0.67 118.95 126.60 1gig s ARG 56 Ca 0.04 2.06 -0.15 0.00 -0.13 0.00 0.00 55.73 57.55 1gig s ARG 56 Cb -0.21 -3.22 0.02 0.00 -1.56 0.00 0.00 34.95 29.98 1gig s ARG 56 CO 0.07 -0.33 1.15 0.00 -0.81 0.00 0.00 175.30 175.39 1gig s ALA 57 N 0.53 2.29 0.21 6.12 0.00 -0.12 -4.94 121.76 125.86 1gig s ALA 57 Ca 0.60 0.70 -0.09 0.00 0.00 0.00 0.00 51.96 53.17 1gig s ALA 57 Cb -0.37 -3.39 0.25 0.00 0.00 0.00 0.00 23.12 19.62 1gig s ALA 57 CO 0.35 -1.57 1.81 -1.35 0.00 0.00 0.00 175.76 175.00 1gig h PRO 58 N -0.13 0.68 0.00 0.00 0.11 -1.94 -2.90 132.00 127.81 1gig h PRO 58 Ca -0.47 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.60 1gig h PRO 58 Cb 1.27 -0.15 0.00 0.00 0.11 0.00 0.00 31.00 32.23 1gig h PRO 58 CO 0.52 0.45 0.00 0.41 -0.21 0.00 0.00 178.00 179.17 1gig n GLY 59 N -1.29 -1.26 3.75 -0.55 0.00 -1.26 -4.87 105.19 99.72 1gig n GLY 59 Ca 0.09 -0.11 -0.40 0.00 0.00 0.00 0.00 46.02 45.59 1gig n GLY 59 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1gig s VAL 60 N -2.74 3.76 0.38 1.61 1.01 -1.10 -5.01 120.40 118.31 1gig s VAL 60 Ca 0.20 1.73 -0.27 0.00 0.00 0.00 0.00 61.98 63.64 1gig s VAL 60 Cb 0.18 -4.10 -0.11 0.00 0.00 0.00 0.00 36.38 32.35 1gig s VAL 60 CO 0.43 0.39 1.23 -2.65 0.00 0.00 0.00 175.10 174.51 1gig n PRO 61 N 1.49 1.91 0.16 2.72 -0.02 -1.26 -4.88 135.00 135.11 1gig n PRO 61 Ca -0.01 0.67 0.11 0.00 -2.02 0.00 0.00 63.50 62.26 1gig n PRO 61 Cb 0.46 -2.28 0.59 0.00 -0.02 0.00 0.00 33.50 32.25 1gig n PRO 61 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1gig n ALA 62 N 0.02 1.07 0.79 3.55 0.00 -1.26 -2.38 120.51 122.30 1gig n ALA 62 Ca 0.06 0.20 0.09 0.00 0.00 0.00 0.00 53.44 53.79 1gig n ALA 62 Cb 0.37 -1.32 0.45 0.00 0.00 0.00 0.00 19.45 18.95 1gig n ALA 62 CO 0.00 0.00 0.00 2.89 0.00 0.00 0.00 177.50 180.39 1gig n ARG 63 N -2.27 0.14 -3.53 0.00 1.85 -1.26 -4.69 116.66 106.90 1gig n ARG 63 Ca -0.01 0.14 -0.37 0.00 -1.00 0.00 0.00 57.85 56.60 1gig n ARG 63 Cb 0.04 -1.50 -0.08 0.00 -1.05 0.00 0.00 32.46 29.87 1gig n ARG 63 CO 0.00 0.00 0.00 -0.06 -0.01 0.00 0.00 177.63 177.56 1gig s PHE 64 N -2.78 3.35 0.06 2.89 0.40 -1.00 -1.21 117.98 119.69 1gig s PHE 64 Ca 0.14 0.43 0.00 0.00 -0.60 0.00 0.00 56.93 56.90 1gig s PHE 64 Cb 0.13 -2.39 -0.03 0.00 0.51 0.00 0.00 43.02 41.23 1gig s PHE 64 CO 0.32 0.05 -0.05 -1.54 0.70 0.00 0.00 175.22 174.70 1gig s SER 65 N 1.00 0.69 0.08 1.36 1.04 -0.27 -4.89 113.70 112.71 1gig s SER 65 Ca 0.13 -0.84 0.07 0.00 0.48 0.00 0.00 55.95 55.79 1gig s SER 65 Cb -0.14 0.13 -0.03 0.00 0.10 0.00 0.00 66.02 66.07 1gig s SER 65 CO 0.06 -0.44 -0.18 -0.83 0.98 0.00 0.00 173.24 172.83 1gig s GLY 66 N -2.48 1.05 0.35 7.32 0.00 -1.26 -0.45 107.32 111.85 1gig s GLY 66 Ca 0.02 -1.12 -0.17 0.00 0.00 0.00 0.00 44.72 43.45 1gig s GLY 66 CO -0.05 -1.13 0.75 -1.35 0.00 0.00 0.00 173.10 171.32 1gig s SER 67 N -1.79 -0.04 -0.29 1.64 1.04 0.04 -4.36 113.70 109.94 1gig s SER 67 Ca 0.02 -1.00 -0.07 0.00 0.48 0.00 0.00 55.95 55.38 1gig s SER 67 Cb -0.10 0.80 -0.00 0.00 0.10 0.00 0.00 66.02 66.82 1gig s SER 67 CO 0.03 -1.56 0.08 -0.76 0.98 0.00 0.00 173.24 172.01 1gig s LEU 68 N -3.03 3.76 -0.45 2.42 1.02 -1.26 -0.34 118.68 120.80 1gig s LEU 68 Ca 0.15 -0.58 -0.06 0.00 0.02 0.00 0.00 54.13 53.66 1gig s LEU 68 Cb -0.05 -1.90 0.12 0.00 0.02 0.00 0.00 46.19 44.38 1gig s LEU 68 CO 0.10 -0.16 0.29 -0.63 0.02 0.00 0.00 176.35 175.98 1gig s ILE 69 N 1.53 3.77 0.00 -0.59 1.01 0.31 -4.96 121.20 122.27 1gig s ILE 69 Ca 0.04 -1.97 0.00 0.00 0.00 0.00 0.00 60.65 58.72 1gig s ILE 69 Cb -0.17 -3.53 0.00 0.00 0.01 0.00 0.00 42.46 38.78 1gig s ILE 69 CO 0.03 -0.74 0.00 0.61 0.00 0.00 0.00 174.94 174.83 1gig n GLY 70 N 4.70 3.39 0.58 6.18 0.00 -1.26 -2.43 105.19 116.35 1gig n GLY 70 Ca -0.04 -0.11 0.12 0.00 0.00 0.00 0.00 46.02 45.98 1gig n GLY 70 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1gig n ASP 71 N 7.81 1.76 -4.33 1.61 5.75 -1.26 -4.82 116.55 123.08 1gig n ASP 71 Ca 0.00 -1.66 -0.18 0.00 -0.01 0.00 0.00 54.79 52.94 1gig n ASP 71 Cb 0.00 -0.07 -0.10 0.00 -1.03 0.00 0.00 41.12 39.92 1gig n ASP 71 CO 0.00 0.00 0.00 -0.54 -0.11 0.00 0.00 177.20 176.55 1gig s LYS 72 N -1.85 1.28 0.17 0.11 1.02 -1.02 -0.07 119.74 119.37 1gig s LYS 72 Ca 0.34 -1.56 -0.11 0.00 0.02 0.00 0.00 55.97 54.67 1gig s LYS 72 Cb 0.19 -1.03 -0.07 0.00 -0.52 0.00 0.00 37.83 36.41 1gig s LYS 72 CO 0.29 0.17 0.51 0.00 -0.92 0.00 0.00 175.35 175.40 1gig s ALA 73 N -3.02 3.61 0.02 5.17 0.00 -0.56 -0.53 121.76 126.44 1gig s ALA 73 Ca 0.21 -0.26 0.02 0.00 0.00 0.00 0.00 51.96 51.94 1gig s ALA 73 Cb -0.00 -2.42 -0.01 0.00 0.00 0.00 0.00 23.12 20.68 1gig s ALA 73 CO 0.06 0.51 -0.07 0.00 0.00 0.00 0.00 175.76 176.25 1gig s ALA 74 N -1.62 0.56 -0.21 0.00 0.00 0.54 -0.49 121.76 120.53 1gig s ALA 74 Ca 0.41 -0.48 -0.01 0.00 0.00 0.00 0.00 51.96 51.89 1gig s ALA 74 Cb -0.13 -0.06 0.02 0.00 0.00 0.00 0.00 23.12 22.94 1gig s ALA 74 CO 0.20 0.07 -0.11 -1.17 0.00 0.00 0.00 175.76 174.75 1gig s LEU 75 N -0.73 2.71 -0.11 0.00 2.96 -0.48 -0.78 118.68 122.24 1gig s LEU 75 Ca -0.02 -0.69 0.01 0.00 -0.22 0.00 0.00 54.13 53.21 1gig s LEU 75 Cb -0.05 -1.60 -0.02 0.00 0.50 0.00 0.00 46.19 45.01 1gig s LEU 75 CO 0.00 -0.05 -0.13 -0.89 -1.32 0.00 0.00 176.35 173.96 1gig s THR 76 N 1.34 3.09 -0.30 3.68 2.01 0.41 -0.42 115.64 125.45 1gig s THR 76 Ca 0.03 -0.66 -0.04 0.00 0.31 0.00 0.00 61.69 61.32 1gig s THR 76 Cb -0.15 -2.28 0.03 0.00 0.01 0.00 0.00 72.50 70.12 1gig s THR 76 CO -0.08 0.54 0.04 -0.63 -0.69 0.00 0.00 174.62 173.80 1gig s ILE 77 N 0.06 3.46 -0.53 1.82 1.01 -0.51 -1.12 121.20 125.39 1gig s ILE 77 Ca -0.05 -1.03 -0.17 0.00 0.00 0.00 0.00 60.65 59.40 1gig s ILE 77 Cb -0.14 -2.87 0.10 0.00 0.01 0.00 0.00 42.46 39.55 1gig s ILE 77 CO 0.04 -0.00 0.56 -0.89 0.00 0.00 0.00 174.94 174.65 1gig s THR 78 N 1.38 5.04 0.00 2.92 2.01 -0.35 -2.03 115.64 124.61 1gig s THR 78 Ca -0.01 -1.06 0.00 0.00 0.31 0.00 0.00 61.69 60.93 1gig s THR 78 Cb -0.18 -4.33 0.00 0.00 0.01 0.00 0.00 72.50 68.00 1gig s THR 78 CO 0.00 -0.87 0.00 0.61 -0.69 0.00 0.00 174.62 173.67 1gig n GLY 79 N 5.23 0.52 3.76 4.40 0.00 -0.85 -4.77 105.19 113.48 1gig n GLY 79 Ca -0.11 -0.34 -0.41 0.00 0.00 0.00 0.00 46.02 45.16 1gig n GLY 79 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1gig n ALA 80 N -1.09 2.06 -2.60 4.61 0.00 -0.40 -4.51 120.51 118.58 1gig n ALA 80 Ca 0.00 0.32 -0.24 0.00 0.00 0.00 0.00 53.44 53.52 1gig n ALA 80 Cb 0.42 -2.38 -0.08 0.00 0.00 0.00 0.00 19.45 17.41 1gig n ALA 80 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 1gig s GLN 81 N -2.15 2.15 0.56 0.00 -1.52 -1.26 0.04 119.66 117.48 1gig s GLN 81 Ca 0.56 -1.45 0.24 0.00 -1.95 0.00 0.00 55.36 52.76 1gig s GLN 81 Cb -0.49 -2.09 1.55 0.00 -0.22 0.00 0.00 33.01 31.76 1gig s GLN 81 CO 0.62 0.37 2.17 1.79 -0.25 0.00 0.00 175.29 179.99 1gig h THR 82 N 2.12 0.71 -0.00 -0.19 1.35 -1.92 -0.99 112.91 113.98 1gig h THR 82 Ca -0.44 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.42 1gig h THR 82 Cb 1.24 0.95 0.00 0.00 -1.73 0.00 0.00 68.15 68.61 1gig h THR 82 CO 0.59 0.00 -0.00 -1.84 -0.25 0.00 0.00 175.52 174.02 1gig n GLU 83 N -4.14 1.00 0.02 4.72 0.00 -1.26 -2.98 120.64 118.00 1gig n GLU 83 Ca -0.01 -0.11 0.13 0.00 0.00 0.00 0.00 57.16 57.16 1gig n GLU 83 Cb 0.17 -1.50 0.38 0.00 0.00 0.00 0.00 31.44 30.50 1gig n GLU 83 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.13 176.88 1gig n ASP 84 N -0.90 0.40 -4.60 -1.84 8.00 -0.38 -4.78 116.55 112.46 1gig n ASP 84 Ca 0.22 0.17 -0.43 0.00 0.71 0.00 0.00 54.79 55.47 1gig n ASP 84 Cb 0.16 -0.15 -0.03 0.00 -0.02 0.00 0.00 41.12 41.08 1gig n ASP 84 CO 0.00 0.00 0.00 -0.70 -0.39 0.00 0.00 177.20 176.11 1gig s GLU 85 N -3.04 3.06 0.08 -1.24 2.12 -1.16 -4.83 118.70 113.68 1gig s GLU 85 Ca 0.11 2.00 -0.10 0.00 0.36 0.00 0.00 54.97 57.34 1gig s GLU 85 Cb 0.17 -4.39 0.03 0.00 0.26 0.00 0.00 34.13 30.20 1gig s GLU 85 CO 0.63 -2.19 0.47 0.00 -0.54 0.00 0.00 175.26 173.64 1gig n ALA 86 N 11.98 -1.24 -2.82 6.30 0.00 -1.16 -4.97 120.51 128.60 1gig n ALA 86 Ca 0.30 -0.46 -0.34 0.00 0.00 0.00 0.00 53.44 52.94 1gig n ALA 86 Cb 0.45 0.25 -0.10 0.00 0.00 0.00 0.00 19.45 20.05 1gig n ALA 86 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 1gig s ILE 87 N -2.32 4.41 -0.15 0.00 1.01 -0.97 -1.02 121.20 122.16 1gig s ILE 87 Ca 0.11 -0.18 -0.01 0.00 0.00 0.00 0.00 60.65 60.56 1gig s ILE 87 Cb -0.01 -2.93 -0.01 0.00 0.01 0.00 0.00 42.46 39.52 1gig s ILE 87 CO 0.02 0.52 -0.12 -0.31 0.00 0.00 0.00 174.94 175.05 1gig s TYR 88 N -0.08 2.83 -0.04 3.97 1.51 0.86 -1.33 117.35 125.07 1gig s TYR 88 Ca 0.04 -0.82 0.01 0.00 -1.01 0.00 0.00 57.07 55.29 1gig s TYR 88 Cb -0.13 -1.90 -0.03 0.00 -0.11 0.00 0.00 41.96 39.79 1gig s TYR 88 CO 0.02 -0.35 -0.03 -0.06 -1.11 0.00 0.00 175.55 174.02 1gig s PHE 89 N 0.69 3.02 0.02 2.71 0.40 -0.05 -0.51 117.98 124.26 1gig s PHE 89 Ca -0.06 0.07 0.04 0.00 -0.60 0.00 0.00 56.93 56.38 1gig s PHE 89 Cb -0.15 -1.69 -0.03 0.00 0.51 0.00 0.00 43.02 41.65 1gig s PHE 89 CO 0.02 0.41 -0.07 0.00 0.70 0.00 0.00 175.22 176.28 1gig s ALA 91 N -1.04 -0.06 -0.03 0.00 0.00 -0.75 0.52 121.76 120.39 1gig s ALA 91 Ca 0.18 0.10 0.04 0.00 0.00 0.00 0.00 51.96 52.28 1gig s ALA 91 Cb -0.11 -0.06 -0.00 0.00 0.00 0.00 0.00 23.12 22.94 1gig s ALA 91 CO 0.09 -0.02 -0.16 -0.51 0.00 0.00 0.00 175.76 175.16 1gig s LEU 92 N 0.08 1.92 -0.09 0.00 1.43 -0.33 -2.09 118.68 119.60 1gig s LEU 92 Ca -0.01 -0.31 -0.17 0.00 -1.03 0.00 0.00 54.13 52.61 1gig s LEU 92 Cb -0.01 -0.87 -0.05 0.00 0.03 0.00 0.00 46.19 45.29 1gig s LEU 92 CO -0.00 0.15 0.45 0.86 0.23 0.00 0.00 176.35 178.04 1gig s TRP 93 N -0.03 3.56 -0.55 0.29 -0.11 0.10 -1.67 118.94 120.55 1gig s TRP 93 Ca -0.01 0.90 0.07 0.00 1.22 0.00 0.00 56.10 58.27 1gig s TRP 93 Cb -0.10 -2.48 0.30 0.00 -1.50 0.00 0.00 33.47 29.70 1gig s TRP 93 CO 0.01 0.29 0.80 0.66 -4.62 0.00 0.00 176.95 174.09 1gig n TYR 94 N 3.21 2.85 0.00 5.86 4.01 0.12 -4.29 117.16 128.92 1gig n TYR 94 Ca -0.09 -3.97 0.00 0.00 -0.16 0.00 0.00 57.90 53.68 1gig n TYR 94 Cb 0.52 -0.49 0.00 0.00 -0.31 0.00 0.00 39.34 39.06 1gig n TYR 94 CO 0.00 0.00 0.00 0.43 -0.46 0.00 0.00 176.86 176.83 1gig n SER 95 N 0.37 0.00 0.00 7.72 7.64 -1.26 -3.15 113.62 124.94 1gig n SER 95 Ca 0.29 0.00 0.00 0.00 1.01 0.00 0.00 58.87 60.17 1gig n SER 95 Cb 0.45 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.65 1gig n SER 95 CO 0.00 0.00 0.00 -0.46 -3.01 0.00 0.00 175.04 171.57 1gig n ASN 96 N 0.00 0.07 -3.85 6.43 6.94 -1.26 -5.11 115.26 118.48 1gig n ASN 96 Ca 0.00 -0.34 -0.10 0.00 -0.02 0.00 0.00 54.58 54.12 1gig n ASN 96 Cb 0.00 0.39 -0.06 0.00 -2.36 0.00 0.00 39.78 37.76 1gig n ASN 96 CO 0.00 0.00 0.00 -1.38 -1.03 0.00 0.00 177.26 174.85 1gig s HIS 97 N -0.39 0.17 0.01 -2.53 -3.43 -1.19 -5.16 115.29 102.77 1gig s HIS 97 Ca 0.00 -0.53 0.01 0.00 -0.80 0.00 0.00 55.06 53.74 1gig s HIS 97 Cb 0.00 0.10 -0.04 0.00 -1.43 0.00 0.00 32.58 31.21 1gig s HIS 97 CO 0.00 -0.75 0.03 -1.58 -2.00 0.00 0.00 174.74 170.44 1gig s TRP 98 N -3.91 3.14 -0.07 0.38 0.52 -1.26 0.13 118.94 117.86 1gig s TRP 98 Ca 0.12 0.11 0.00 0.00 0.02 0.00 0.00 56.10 56.35 1gig s TRP 98 Cb 0.02 -1.67 0.02 0.00 -1.15 0.00 0.00 33.47 30.69 1gig s TRP 98 CO -0.03 0.49 -0.06 0.08 0.02 0.00 0.00 176.95 177.45 1gig s VAL 99 N -1.16 0.73 0.23 4.03 1.01 -0.67 -4.97 120.40 119.60 1gig s VAL 99 Ca 0.22 -0.18 -0.06 0.00 0.00 0.00 0.00 61.98 61.96 1gig s VAL 99 Cb -0.12 -0.76 -0.06 0.00 0.00 0.00 0.00 36.38 35.44 1gig s VAL 99 CO 0.13 0.29 0.50 -0.36 0.00 0.00 0.00 175.10 175.66 1gig s PHE 100 N 1.28 3.46 0.79 5.22 0.08 -1.26 -1.18 117.98 126.36 1gig s PHE 100 Ca -0.05 0.69 -0.03 0.00 0.12 0.00 0.00 56.93 57.66 1gig s PHE 100 Cb -0.14 -2.13 0.16 0.00 -0.57 0.00 0.00 43.02 40.35 1gig s PHE 100 CO -0.02 0.28 1.08 0.20 -0.10 0.00 0.00 175.22 176.66 1gig s GLY 101 N -2.71 1.76 0.48 4.36 0.00 0.18 -4.50 107.32 106.90 1gig s GLY 101 Ca 0.44 -1.77 0.28 0.00 0.00 0.00 0.00 44.72 43.67 1gig s GLY 101 CO 0.26 -1.11 1.85 -1.33 0.00 0.00 0.00 173.10 172.77 1gig h GLY 102 N -0.81 0.00 0.00 0.20 0.00 -1.88 -3.43 103.07 97.15 1gig h GLY 102 Ca -0.36 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.97 1gig h GLY 102 CO 0.36 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.51 1gig n GLY 103 N 0.28 0.99 3.25 4.60 0.00 -1.26 -5.02 105.19 108.03 1gig n GLY 103 Ca 0.01 -1.62 -0.32 0.00 0.00 0.00 0.00 46.02 44.09 1gig n GLY 103 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1gig s THR 104 N -2.36 2.11 -0.32 2.61 2.01 0.33 -4.49 115.64 115.54 1gig s THR 104 Ca 0.00 -1.02 -0.16 0.00 0.31 0.00 0.00 61.69 60.81 1gig s THR 104 Cb 0.00 -1.79 -0.02 0.00 0.01 0.00 0.00 72.50 70.71 1gig s THR 104 CO 0.00 0.56 0.43 -0.75 -0.69 0.00 0.00 174.62 174.18 1gig s LYS 105 N 0.09 3.76 -0.23 4.92 2.47 -0.58 -0.10 119.74 130.07 1gig s LYS 105 Ca -0.11 -0.13 -0.07 0.00 -1.56 0.00 0.00 55.97 54.10 1gig s LYS 105 Cb -0.16 -3.75 -0.03 0.00 -1.46 0.00 0.00 37.83 32.43 1gig s LYS 105 CO 0.06 -0.48 0.05 -1.17 0.16 0.00 0.00 175.35 173.97 1gig s LEU 106 N 2.19 3.42 -0.16 5.43 2.96 -0.19 -0.56 118.68 131.78 1gig s LEU 106 Ca 0.16 -0.18 -0.05 0.00 -0.22 0.00 0.00 54.13 53.84 1gig s LEU 106 Cb -0.16 -1.90 -0.03 0.00 0.50 0.00 0.00 46.19 44.60 1gig s LEU 106 CO 0.11 0.01 -0.01 -0.89 -1.32 0.00 0.00 176.35 174.26 1gig s THR 107 N 1.32 4.18 -0.26 3.68 2.01 -0.34 -2.96 115.64 123.28 1gig s THR 107 Ca 0.05 -0.25 -0.05 0.00 0.31 0.00 0.00 61.69 61.75 1gig s THR 107 Cb -0.15 -2.85 0.00 0.00 0.01 0.00 0.00 72.50 69.52 1gig s THR 107 CO 0.03 0.49 0.00 -0.69 -0.69 0.00 0.00 174.62 173.76 1gig s VAL 108 N 0.32 3.52 1.10 3.82 1.01 -1.26 -0.11 120.40 128.80 1gig s VAL 108 Ca -0.01 -0.67 -0.18 0.00 0.00 0.00 0.00 61.98 61.12 1gig s VAL 108 Cb -0.13 -2.73 0.25 0.00 0.00 0.00 0.00 36.38 33.76 1gig s VAL 108 CO 0.02 0.24 1.19 -0.76 0.00 0.00 0.00 175.10 175.79 1gig s LEU 109 N 1.46 1.48 0.00 3.92 1.43 0.14 -4.28 118.68 122.83 1gig s LEU 109 Ca 0.03 0.53 0.00 0.00 -1.03 0.00 0.00 54.13 53.66 1gig s LEU 109 Cb -0.16 -2.40 0.00 0.00 0.03 0.00 0.00 46.19 43.66 1gig s LEU 109 CO -0.01 -3.55 0.00 0.61 0.23 0.00 0.00 176.35 173.63 1gig n GLY 110 N -2.01 0.49 3.78 -3.19 0.00 -1.26 -4.15 105.19 98.85 1gig n GLY 110 Ca 0.13 -0.48 -0.33 0.00 0.00 0.00 0.00 46.02 45.34 1gig n GLY 110 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1gig s GLN 111 N -0.92 2.91 -0.29 1.61 -1.52 -1.26 -4.96 119.66 115.24 1gig s GLN 111 Ca 0.00 1.35 -0.29 0.00 -1.95 0.00 0.00 55.36 54.47 1gig s GLN 111 Cb 0.00 -1.97 -0.00 0.00 -0.22 0.00 0.00 33.01 30.82 1gig s GLN 111 CO 0.00 -1.15 1.34 -1.25 -0.25 0.00 0.00 175.29 173.97 1gig s PRO 112 N -4.08 3.91 0.36 2.91 0.04 -1.26 -5.02 135.00 131.85 1gig s PRO 112 Ca 0.66 1.31 -0.25 0.00 0.04 0.00 0.00 61.00 62.76 1gig s PRO 112 Cb -0.20 -3.89 -0.10 0.00 0.04 0.00 0.00 34.50 30.35 1gig s PRO 112 CO 0.40 -1.13 0.97 0.21 0.04 0.00 0.00 177.00 177.50 1gig s LYS 113 N 4.21 4.41 -0.03 4.56 2.36 -1.26 -4.78 119.74 129.21 1gig s LYS 113 Ca 0.58 1.34 -0.01 0.00 -2.55 0.00 0.00 55.97 55.33 1gig s LYS 113 Cb -0.18 -2.62 0.02 0.00 -1.05 0.00 0.00 37.83 34.01 1gig s LYS 113 CO 0.24 0.12 0.05 -1.12 1.55 0.00 0.00 175.35 176.19 1gig s SER 114 N -1.71 0.00 0.08 1.43 0.01 -0.10 -4.93 113.70 108.49 1gig s SER 114 Ca 0.54 0.10 -0.19 0.00 1.31 0.00 0.00 55.95 57.71 1gig s SER 114 Cb -0.18 0.02 -0.07 0.00 0.21 0.00 0.00 66.02 66.01 1gig s SER 114 CO 0.23 -0.10 0.58 -0.44 0.41 0.00 0.00 173.24 173.92 1gig s SER 115 N 0.79 7.06 0.63 2.44 0.01 -1.26 -0.23 113.70 123.15 1gig s SER 115 Ca -0.06 1.27 -0.18 0.00 1.31 0.00 0.00 55.95 58.29 1gig s SER 115 Cb -0.09 -2.36 -0.02 0.00 0.21 0.00 0.00 66.02 63.76 1gig s SER 115 CO -0.03 0.26 1.20 -2.16 0.41 0.00 0.00 173.24 172.92 1gig s PRO 116 N -1.17 2.77 -0.18 12.44 0.04 -1.26 -4.45 135.00 143.18 1gig s PRO 116 Ca 0.30 1.77 -0.06 0.00 0.04 0.00 0.00 61.00 63.05 1gig s PRO 116 Cb -0.19 -1.91 -0.03 0.00 0.04 0.00 0.00 34.50 32.40 1gig s PRO 116 CO 0.19 -1.35 0.02 -1.12 0.04 0.00 0.00 177.00 174.78 1gig s SER 117 N -1.79 5.18 -0.06 6.66 0.01 0.06 -4.92 113.70 118.83 1gig s SER 117 Ca 0.76 -0.06 0.04 0.00 1.31 0.00 0.00 55.95 57.99 1gig s SER 117 Cb -0.29 -1.88 -0.02 0.00 0.21 0.00 0.00 66.02 64.04 1gig s SER 117 CO 0.37 0.13 -0.18 -0.69 0.41 0.00 0.00 173.24 173.28 1gig s VAL 118 N 0.60 2.68 -0.03 3.43 1.01 -1.26 -0.73 120.40 126.11 1gig s VAL 118 Ca 0.01 -0.84 0.02 0.00 0.00 0.00 0.00 61.98 61.16 1gig s VAL 118 Cb -0.14 -2.04 0.01 0.00 0.00 0.00 0.00 36.38 34.22 1gig s VAL 118 CO 0.02 0.57 -0.06 -0.89 0.00 0.00 0.00 175.10 174.74 1gig s THR 119 N -0.35 0.57 -0.16 3.92 2.01 0.48 -4.97 115.64 117.14 1gig s THR 119 Ca 0.03 -0.21 -0.01 0.00 0.31 0.00 0.00 61.69 61.81 1gig s THR 119 Cb -0.12 -0.54 -0.01 0.00 0.01 0.00 0.00 72.50 71.83 1gig s THR 119 CO 0.02 0.20 -0.12 -0.22 -0.69 0.00 0.00 174.62 173.82 1gig s LEU 120 N 0.48 2.68 -0.09 4.42 2.96 -1.26 -0.51 118.68 127.36 1gig s LEU 120 Ca -0.06 -0.39 0.02 0.00 -0.22 0.00 0.00 54.13 53.47 1gig s LEU 120 Cb -0.10 -1.63 -0.02 0.00 0.50 0.00 0.00 46.19 44.94 1gig s LEU 120 CO 0.00 0.09 -0.15 -0.36 -1.32 0.00 0.00 176.35 174.61 1gig s PHE 121 N 0.82 2.73 0.72 5.38 0.08 0.17 -4.98 117.98 122.90 1gig s PHE 121 Ca -0.04 -0.45 -0.11 0.00 0.12 0.00 0.00 56.93 56.45 1gig s PHE 121 Cb -0.15 -1.73 0.02 0.00 -0.57 0.00 0.00 43.02 40.59 1gig s PHE 121 CO 0.01 -0.04 1.07 -1.25 -0.10 0.00 0.00 175.22 174.91 1gig s PRO 122 N -0.16 2.75 0.55 0.24 0.04 -1.26 -1.52 135.00 135.63 1gig s PRO 122 Ca -0.01 0.72 -0.20 0.00 0.04 0.00 0.00 61.00 61.55 1gig s PRO 122 Cb -0.13 -1.99 -0.05 0.00 0.04 0.00 0.00 34.50 32.37 1gig s PRO 122 CO 0.03 -1.17 1.21 -2.14 0.04 0.00 0.00 177.00 174.97 1gig s PRO 123 N -5.17 3.23 0.37 0.56 0.02 -1.24 -4.81 135.00 127.97 1gig s PRO 123 Ca 0.58 1.85 -0.11 0.00 0.02 0.00 0.00 61.00 63.35 1gig s PRO 123 Cb -0.13 -2.10 -0.07 0.00 0.02 0.00 0.00 34.50 32.22 1gig s PRO 123 CO 0.54 -1.00 0.73 -1.54 -0.33 0.00 0.00 177.00 175.40 1gig s SER 124 N -1.46 6.57 0.33 2.53 1.04 -1.26 -4.98 113.70 116.47 1gig s SER 124 Ca 0.73 1.11 0.03 0.00 0.48 0.00 0.00 55.95 58.29 1gig s SER 124 Cb -0.31 -2.31 0.57 0.00 0.10 0.00 0.00 66.02 64.08 1gig s SER 124 CO 0.35 -0.33 1.90 0.77 0.98 0.00 0.00 173.24 176.91 1gig h SER 125 N 1.55 0.61 -0.71 7.02 4.64 -2.00 -1.50 113.55 123.17 1gig h SER 125 Ca -0.47 -0.09 0.02 0.00 -0.47 0.00 0.00 61.79 60.78 1gig h SER 125 Cb 1.18 -0.16 -0.04 0.00 -0.31 0.00 0.00 62.40 63.07 1gig h SER 125 CO 0.65 0.59 0.46 -0.33 -0.87 0.00 0.00 176.83 177.32 1gig h GLU 126 N 0.65 0.88 -0.30 4.77 3.07 -2.00 -2.50 114.58 119.15 1gig h GLU 126 Ca 0.15 -0.05 -0.15 0.00 -0.50 0.00 0.00 59.36 58.81 1gig h GLU 126 Cb 0.21 -0.20 -0.01 0.00 -0.84 0.00 0.00 28.75 27.92 1gig h GLU 126 CO -0.01 0.58 -0.42 1.49 -1.40 0.00 0.00 179.01 179.25 1gig h GLU 127 N 0.90 0.75 -0.30 2.33 4.81 -1.71 -3.14 114.58 118.23 1gig h GLU 127 Ca 0.28 -0.40 0.04 0.00 -0.13 0.00 0.00 59.36 59.15 1gig h GLU 127 Cb -0.02 0.02 -0.02 0.00 0.63 0.00 0.00 28.75 29.36 1gig h GLU 127 CO -0.09 1.03 0.20 -0.07 -0.73 0.00 0.00 179.01 179.34 1gig h LEU 128 N 0.61 0.20 -1.35 1.64 3.38 -0.84 -1.13 115.31 117.81 1gig h LEU 128 Ca 0.04 -0.00 0.13 0.00 0.09 0.00 0.00 57.88 58.14 1gig h LEU 128 Cb 0.98 -0.05 -0.06 0.00 0.09 0.00 0.00 40.66 41.62 1gig h LEU 128 CO 0.09 0.14 0.54 -0.33 0.09 0.00 0.00 178.44 178.97 1gig h GLU 129 N 0.23 0.64 0.00 1.13 5.08 -1.46 0.23 114.58 120.43 1gig h GLU 129 Ca 0.13 -0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.45 1gig h GLU 129 Cb 0.22 -0.14 0.00 0.00 0.50 0.00 0.00 28.75 29.32 1gig h GLU 129 CO -0.02 0.42 0.00 0.25 -1.00 0.00 0.00 179.01 178.66 1gig n THR 130 N -4.53 0.14 -2.13 1.13 -2.24 -0.43 -4.90 114.28 101.33 1gig n THR 130 Ca 0.15 0.04 -0.11 0.00 -2.27 0.00 0.00 64.05 61.87 1gig n THR 130 Cb 0.43 -0.65 -0.01 0.00 -2.10 0.00 0.00 70.33 68.00 1gig n THR 130 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 1gig n ASN 131 N -1.16 -3.55 -4.14 3.42 5.03 0.07 -5.01 115.26 109.92 1gig n ASN 131 Ca 0.14 0.01 -0.13 0.00 0.87 0.00 0.00 54.58 55.48 1gig n ASN 131 Cb 0.14 -2.73 -0.11 0.00 -1.02 0.00 0.00 39.78 36.06 1gig n ASN 131 CO 0.00 0.00 0.00 -0.54 -1.83 0.00 0.00 177.26 174.89 1gig s LYS 132 N -4.39 0.75 -0.10 3.52 -0.14 -1.25 -2.50 119.74 115.63 1gig s LYS 132 Ca 0.00 -1.11 -0.04 0.00 -1.36 0.00 0.00 55.97 53.47 1gig s LYS 132 Cb 0.00 -0.34 0.05 0.00 -1.68 0.00 0.00 37.83 35.86 1gig s LYS 132 CO 0.00 0.04 0.17 0.00 -0.76 0.00 0.00 175.35 174.79 1gig s ALA 133 N -2.58 -0.17 -0.16 5.17 0.00 0.30 -3.55 121.76 120.78 1gig s ALA 133 Ca 0.03 0.53 -0.00 0.00 0.00 0.00 0.00 51.96 52.52 1gig s ALA 133 Cb -0.02 -0.87 -0.01 0.00 0.00 0.00 0.00 23.12 22.23 1gig s ALA 133 CO -0.02 -0.63 -0.13 0.99 0.00 0.00 0.00 175.76 175.97 1gig s THR 134 N 2.30 2.86 -0.13 0.00 2.01 -1.26 0.89 115.64 122.31 1gig s THR 134 Ca 0.03 -0.71 -0.11 0.00 0.31 0.00 0.00 61.69 61.22 1gig s THR 134 Cb -0.12 -2.22 -0.05 0.00 0.01 0.00 0.00 72.50 70.12 1gig s THR 134 CO -0.06 0.51 0.23 -0.76 -0.69 0.00 0.00 174.62 173.84 1gig s LEU 135 N 0.76 4.32 -0.14 4.42 2.01 0.29 -3.60 118.68 126.74 1gig s LEU 135 Ca -0.05 0.51 0.02 0.00 0.01 0.00 0.00 54.13 54.62 1gig s LEU 135 Cb -0.15 -2.25 0.00 0.00 0.01 0.00 0.00 46.19 43.80 1gig s LEU 135 CO 0.01 0.25 -0.19 -0.69 1.01 0.00 0.00 176.35 176.74 1gig s VAL 136 N -0.30 2.34 -0.33 -1.59 1.01 -0.58 -1.69 120.40 119.27 1gig s VAL 136 Ca 0.15 -0.89 -0.01 0.00 0.00 0.00 0.00 61.98 61.24 1gig s VAL 136 Cb -0.13 -1.96 0.07 0.00 0.00 0.00 0.00 36.38 34.36 1gig s VAL 136 CO 0.04 0.53 0.04 0.00 0.00 0.00 0.00 175.10 175.72 1gig s THR 138 N 1.19 5.43 -0.16 0.00 -4.23 0.33 -0.35 115.64 117.84 1gig s THR 138 Ca -0.01 0.31 -0.00 0.00 -1.18 0.00 0.00 61.69 60.81 1gig s THR 138 Cb -0.20 -3.45 0.04 0.00 1.34 0.00 0.00 72.50 70.22 1gig s THR 138 CO -0.03 0.61 -0.05 -0.63 -0.54 0.00 0.00 174.62 173.98 1gig s ILE 139 N -1.01 1.11 0.35 2.99 1.01 -0.63 -0.39 121.20 124.64 1gig s ILE 139 Ca 0.16 -0.62 0.03 0.00 0.00 0.00 0.00 60.65 60.23 1gig s ILE 139 Cb -0.13 -1.28 -0.05 0.00 0.01 0.00 0.00 42.46 41.01 1gig s ILE 139 CO 0.05 0.14 0.08 0.42 0.00 0.00 0.00 174.94 175.64 1gig s THR 140 N 1.63 0.92 -1.60 2.92 -4.23 0.09 -1.30 115.64 114.08 1gig s THR 140 Ca 0.01 -2.00 -0.12 0.00 -1.18 0.00 0.00 61.69 58.40 1gig s THR 140 Cb -0.15 -2.62 0.10 0.00 1.34 0.00 0.00 72.50 71.17 1gig s THR 140 CO -0.08 0.00 0.65 0.47 -0.54 0.00 0.00 174.62 175.12 1gig n ASP 141 N -0.88 -2.24 -4.74 3.99 8.00 -0.82 -0.76 116.55 119.10 1gig n ASP 141 Ca -0.04 -1.01 -0.25 0.00 0.71 0.00 0.00 54.79 54.20 1gig n ASP 141 Cb 0.66 -2.85 -0.06 0.00 -0.02 0.00 0.00 41.12 38.85 1gig n ASP 141 CO 0.00 0.00 0.00 0.72 -0.39 0.00 0.00 177.20 177.53 1gig s PHE 142 N -3.55 2.97 -0.28 1.24 -0.71 -1.14 -4.29 117.98 112.22 1gig s PHE 142 Ca 0.47 -0.11 -0.16 0.00 -1.04 0.00 0.00 56.93 56.09 1gig s PHE 142 Cb -0.26 -1.40 0.09 0.00 -1.21 0.00 0.00 43.02 40.25 1gig s PHE 142 CO 0.91 0.53 0.75 -0.47 -1.34 0.00 0.00 175.22 175.61 1gig s TYR 143 N -1.91 -0.96 1.00 3.49 6.14 0.69 -0.65 117.35 125.15 1gig s TYR 143 Ca 0.30 1.93 -0.12 0.00 0.64 0.00 0.00 57.07 59.82 1gig s TYR 143 Cb -0.09 0.57 0.19 0.00 0.42 0.00 0.00 41.96 43.05 1gig s TYR 143 CO 0.22 -0.48 1.08 -1.25 0.64 0.00 0.00 175.55 175.77 1gig s PRO 144 N 1.54 0.41 -0.08 4.97 0.04 -1.26 -0.92 135.00 139.69 1gig s PRO 144 Ca -0.09 0.64 -0.05 0.00 0.04 0.00 0.00 61.00 61.53 1gig s PRO 144 Cb -0.05 -1.72 -0.22 0.00 0.04 0.00 0.00 34.50 32.55 1gig s PRO 144 CO -0.18 -2.78 3.10 0.41 0.04 0.00 0.00 177.00 177.59 1gig n GLY 145 N -0.81 2.75 3.20 0.56 0.00 -1.26 -4.75 105.19 104.88 1gig n GLY 145 Ca 0.05 -1.03 -0.08 0.00 0.00 0.00 0.00 46.02 44.97 1gig n GLY 145 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1gig s VAL 146 N 1.40 -0.67 0.37 1.61 0.11 -1.26 -4.72 120.40 117.24 1gig s VAL 146 Ca 0.56 0.10 0.06 0.00 -2.93 0.00 0.00 61.98 59.77 1gig s VAL 146 Cb 0.26 -0.73 -0.07 0.00 -1.53 0.00 0.00 36.38 34.31 1gig s VAL 146 CO -0.00 0.02 0.02 0.68 -3.33 0.00 0.00 175.10 172.49 1gig s VAL 147 N 2.62 1.69 -0.10 2.04 -7.23 -1.26 -4.53 120.40 113.63 1gig s VAL 147 Ca 0.02 -2.01 -0.02 0.00 -1.81 0.00 0.00 61.98 58.16 1gig s VAL 147 Cb -0.13 -2.88 0.04 0.00 0.56 0.00 0.00 36.38 33.97 1gig s VAL 147 CO -0.14 -0.02 0.04 -0.89 -0.31 0.00 0.00 175.10 173.77 1gig s THR 148 N -2.94 0.21 -0.11 5.32 2.01 0.20 -4.96 115.64 115.38 1gig s THR 148 Ca 0.35 0.03 -0.00 0.00 0.31 0.00 0.00 61.69 62.38 1gig s THR 148 Cb 0.09 -0.53 -0.02 0.00 0.01 0.00 0.00 72.50 72.04 1gig s THR 148 CO 0.17 0.07 -0.09 0.68 -0.69 0.00 0.00 174.62 174.76 1gig s VAL 149 N 2.03 3.47 0.04 3.82 -7.23 -1.25 0.19 120.40 121.46 1gig s VAL 149 Ca 0.03 -0.54 0.08 0.00 -1.81 0.00 0.00 61.98 59.74 1gig s VAL 149 Cb -0.14 -2.45 -0.02 0.00 0.56 0.00 0.00 36.38 34.33 1gig s VAL 149 CO -0.06 0.55 -0.22 -1.81 -0.31 0.00 0.00 175.10 173.25 1gig s ASP 150 N -0.14 2.59 0.02 4.85 1.01 0.42 -4.96 116.67 120.45 1gig s ASP 150 Ca 0.01 -0.52 0.08 0.00 0.71 0.00 0.00 52.55 52.83 1gig s ASP 150 Cb -0.13 -0.23 -0.02 0.00 1.01 0.00 0.00 42.92 43.55 1gig s ASP 150 CO 0.03 0.19 -0.25 0.26 0.21 0.00 0.00 175.17 175.60 1gig s TRP 151 N -0.77 2.24 -0.05 4.23 0.52 -1.26 0.73 118.94 124.58 1gig s TRP 151 Ca 0.08 -0.41 0.02 0.00 0.02 0.00 0.00 56.10 55.81 1gig s TRP 151 Cb -0.09 -1.39 0.02 0.00 -1.15 0.00 0.00 33.47 30.86 1gig s TRP 151 CO 0.02 0.05 -0.09 0.15 0.02 0.00 0.00 176.95 177.10 1gig s LYS 152 N -0.95 1.26 -0.24 4.98 1.02 -0.37 -0.58 119.74 124.86 1gig s LYS 152 Ca 0.10 -0.28 -0.05 0.00 0.02 0.00 0.00 55.97 55.76 1gig s LYS 152 Cb -0.10 -1.11 -0.01 0.00 -0.52 0.00 0.00 37.83 36.09 1gig s LYS 152 CO 0.01 -0.00 0.01 0.08 -0.92 0.00 0.00 175.35 174.53 1gig s VAL 153 N 0.70 3.77 -1.38 3.17 1.01 0.26 -1.79 120.40 126.14 1gig s VAL 153 Ca -0.12 -0.43 -0.04 0.00 0.00 0.00 0.00 61.98 61.39 1gig s VAL 153 Cb -0.14 -2.78 0.02 0.00 0.00 0.00 0.00 36.38 33.48 1gig s VAL 153 CO 0.02 0.33 0.74 0.47 0.00 0.00 0.00 175.10 176.66 1gig n ASP 154 N 4.85 -1.97 0.00 3.32 8.00 0.73 -1.65 116.55 129.83 1gig n ASP 154 Ca -0.17 -0.83 0.00 0.00 0.71 0.00 0.00 54.79 54.50 1gig n ASP 154 Cb 0.50 -3.90 0.00 0.00 -0.02 0.00 0.00 41.12 37.71 1gig n ASP 154 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1gig n GLY 155 N -1.65 2.87 3.70 0.44 0.00 -1.26 -4.97 105.19 104.32 1gig n GLY 155 Ca -0.22 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.41 1gig n GLY 155 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1gig s THR 156 N -1.10 5.07 0.28 2.61 2.01 -0.66 -5.00 115.64 118.85 1gig s THR 156 Ca 0.00 1.24 -0.30 0.00 0.31 0.00 0.00 61.69 62.95 1gig s THR 156 Cb 0.00 -3.96 -0.10 0.00 0.01 0.00 0.00 72.50 68.45 1gig s THR 156 CO 0.00 0.22 1.43 -2.16 -0.69 0.00 0.00 174.62 173.43 1gig s PRO 157 N 1.12 4.26 0.21 4.92 0.04 -1.26 0.89 135.00 145.18 1gig s PRO 157 Ca 0.32 2.34 -0.20 0.00 0.04 0.00 0.00 61.00 63.50 1gig s PRO 157 Cb -0.16 -3.08 -0.08 0.00 0.04 0.00 0.00 34.50 31.21 1gig s PRO 157 CO 0.14 -0.41 0.71 0.08 0.04 0.00 0.00 177.00 177.56 1gig s VAL 158 N -0.32 4.58 -0.14 -0.36 1.01 0.26 -4.81 120.40 120.62 1gig s VAL 158 Ca 0.57 1.27 -0.00 0.00 0.00 0.00 0.00 61.98 63.82 1gig s VAL 158 Cb -0.42 -3.86 -0.09 0.00 0.00 0.00 0.00 36.38 32.00 1gig s VAL 158 CO 0.47 0.24 -0.14 0.41 0.00 0.00 0.00 175.10 176.08 1gig n THR 159 N 0.80 0.80 -4.42 3.92 -1.04 -1.26 -4.72 114.28 108.38 1gig n THR 159 Ca -0.03 -0.29 -0.26 0.00 -2.04 0.00 0.00 64.05 61.43 1gig n THR 159 Cb 0.51 -1.12 -0.09 0.00 -1.82 0.00 0.00 70.33 67.81 1gig n THR 159 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1gig s GLN 160 N -2.28 2.04 0.00 -2.82 0.00 -1.26 -4.80 119.66 110.54 1gig s GLN 160 Ca -0.19 -1.94 0.00 0.00 -0.00 0.00 0.00 55.36 53.23 1gig s GLN 160 Cb 0.05 -1.80 0.00 0.00 0.00 0.00 0.00 33.01 31.26 1gig s GLN 160 CO 0.31 -0.01 0.00 0.41 0.00 0.00 0.00 175.29 176.01 1gig n GLY 161 N -1.02 1.04 3.79 2.60 0.00 -1.26 -4.97 105.19 105.37 1gig n GLY 161 Ca -0.04 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.68 1gig n GLY 161 CO 0.00 0.00 0.00 -3.16 0.00 0.00 0.00 173.32 170.16 1gig s MET 162 N -0.46 2.94 -0.02 1.61 0.23 -1.26 -1.67 119.30 120.66 1gig s MET 162 Ca 0.00 -0.66 0.00 0.00 -1.03 0.00 0.00 55.69 54.00 1gig s MET 162 Cb 0.00 -2.76 0.03 0.00 -1.53 0.00 0.00 34.83 30.57 1gig s MET 162 CO 0.00 0.57 0.01 -2.00 -2.03 0.00 0.00 175.02 171.57 1gig s GLU 163 N -2.38 0.19 -0.03 3.16 2.56 0.04 -4.97 118.70 117.27 1gig s GLU 163 Ca 0.30 0.10 0.07 0.00 0.00 0.00 0.00 54.97 55.43 1gig s GLU 163 Cb -0.12 -0.39 -0.02 0.00 2.00 0.00 0.00 34.13 35.60 1gig s GLU 163 CO 0.22 -0.13 -0.24 0.99 -0.56 0.00 0.00 175.26 175.54 1gig s THR 164 N 0.95 1.94 0.70 -1.70 2.01 -1.26 0.57 115.64 118.85 1gig s THR 164 Ca -0.09 -1.04 -0.10 0.00 0.31 0.00 0.00 61.69 60.77 1gig s THR 164 Cb -0.13 -1.61 0.03 0.00 0.01 0.00 0.00 72.50 70.80 1gig s THR 164 CO -0.02 0.55 1.06 0.42 -0.69 0.00 0.00 174.62 175.94 1gig s THR 165 N -0.49 3.20 0.04 -0.82 -4.23 -0.16 -5.01 115.64 108.17 1gig s THR 165 Ca 0.07 0.25 -0.24 0.00 -1.18 0.00 0.00 61.69 60.58 1gig s THR 165 Cb -0.10 -3.36 -0.05 0.00 1.34 0.00 0.00 72.50 70.32 1gig s THR 165 CO -0.00 -0.45 0.75 -1.58 -0.54 0.00 0.00 174.62 172.80 1gig s GLN 166 N -5.31 4.47 0.43 3.99 2.00 -1.26 -4.69 119.66 119.29 1gig s GLN 166 Ca 0.58 1.03 -0.24 0.00 -2.00 0.00 0.00 55.36 54.73 1gig s GLN 166 Cb -0.11 -3.36 -0.10 0.00 0.80 0.00 0.00 33.01 30.24 1gig s GLN 166 CO 0.49 0.29 0.98 -2.30 -0.50 0.00 0.00 175.29 174.26 1gig n PRO 167 N 2.81 1.28 -4.32 1.67 -0.02 -1.26 -4.84 135.00 130.33 1gig n PRO 167 Ca -0.03 0.46 -0.22 0.00 -2.02 0.00 0.00 63.50 61.69 1gig n PRO 167 Cb 0.50 -2.02 -0.11 0.00 -0.02 0.00 0.00 33.50 31.84 1gig n PRO 167 CO 0.00 0.00 0.00 -1.12 1.98 0.00 0.00 175.50 176.36 1gig s SER 168 N -0.78 2.65 0.17 2.55 0.01 0.91 -4.90 113.70 114.31 1gig s SER 168 Ca 0.64 -0.83 -0.28 0.00 1.31 0.00 0.00 55.95 56.79 1gig s SER 168 Cb -0.55 -0.15 -0.08 0.00 0.21 0.00 0.00 66.02 65.45 1gig s SER 168 CO 0.56 -0.02 0.88 -0.75 0.41 0.00 0.00 173.24 174.32 1gig s LYS 169 N -2.62 4.71 0.42 12.44 2.47 -1.26 0.02 119.74 135.91 1gig s LYS 169 Ca 0.14 1.34 0.06 0.00 -1.56 0.00 0.00 55.97 55.95 1gig s LYS 169 Cb -0.07 -3.30 0.01 0.00 -1.46 0.00 0.00 37.83 33.01 1gig s LYS 169 CO 0.06 0.45 0.59 -0.65 0.16 0.00 0.00 175.35 175.96 1gig s GLN 170 N -0.82 2.88 0.44 4.03 -0.21 0.34 -4.88 119.66 121.43 1gig s GLN 170 Ca 0.40 -1.04 0.22 0.00 0.02 0.00 0.00 55.36 54.97 1gig s GLN 170 Cb -0.24 -2.71 1.20 0.00 1.00 0.00 0.00 33.01 32.26 1gig s GLN 170 CO 0.29 -0.26 1.82 0.66 -2.12 0.00 0.00 175.29 175.69 1gig h SER 171 N 0.59 0.31 -0.13 5.90 4.64 -1.98 -0.41 113.55 122.47 1gig h SER 171 Ca -0.42 0.05 0.00 0.00 -0.47 0.00 0.00 61.79 60.94 1gig h SER 171 Cb 1.27 -0.01 0.00 0.00 -0.31 0.00 0.00 62.40 63.36 1gig h SER 171 CO 0.49 0.09 0.00 -0.46 -0.87 0.00 0.00 176.83 176.09 1gig n ASN 172 N -4.48 0.87 0.00 4.97 0.23 -1.26 -4.91 115.26 110.69 1gig n ASN 172 Ca 0.22 -2.02 0.00 0.00 -0.53 0.00 0.00 54.58 52.25 1gig n ASN 172 Cb 0.86 -0.14 0.00 0.00 -2.08 0.00 0.00 39.78 38.42 1gig n ASN 172 CO 0.00 0.00 0.00 -3.20 -0.93 0.00 0.00 177.26 173.13 1gig n ASN 173 N -0.07 -0.90 -4.97 0.53 5.15 -0.16 -4.99 115.26 109.84 1gig n ASN 173 Ca 0.05 0.00 -0.21 0.00 -0.60 0.00 0.00 54.58 53.81 1gig n ASN 173 Cb 0.15 -1.30 0.03 0.00 -0.53 0.00 0.00 39.78 38.14 1gig n ASN 173 CO 0.00 0.00 0.00 -0.54 1.40 0.00 0.00 177.26 178.12 1gig s LYS 174 N -0.55 2.59 0.34 1.20 1.02 -1.26 -4.77 119.74 118.31 1gig s LYS 174 Ca 0.00 -0.75 0.07 0.00 0.02 0.00 0.00 55.97 55.32 1gig s LYS 174 Cb 0.00 -2.49 -0.02 0.00 -0.52 0.00 0.00 37.83 34.79 1gig s LYS 174 CO 0.00 -0.67 0.33 0.71 -0.92 0.00 0.00 175.35 174.80 1gig s TYR 175 N -2.74 2.94 0.04 3.18 1.51 0.18 0.13 117.35 122.58 1gig s TYR 175 Ca 0.56 -0.29 -0.01 0.00 -1.01 0.00 0.00 57.07 56.32 1gig s TYR 175 Cb -0.10 -1.85 -0.03 0.00 -0.11 0.00 0.00 41.96 39.87 1gig s TYR 175 CO 0.38 0.13 -0.02 0.00 -1.11 0.00 0.00 175.55 174.93 1gig s MET 176 N -4.04 0.50 0.18 -0.62 0.23 0.10 -1.94 119.30 113.72 1gig s MET 176 Ca 0.42 -0.98 -0.24 0.00 -1.03 0.00 0.00 55.69 53.87 1gig s MET 176 Cb -0.06 0.18 0.06 0.00 -1.53 0.00 0.00 34.83 33.47 1gig s MET 176 CO 0.28 -0.09 0.76 0.00 -2.03 0.00 0.00 175.02 173.94 1gig s ALA 177 N -2.98 -1.51 0.00 3.16 0.00 -0.42 -0.06 121.76 119.95 1gig s ALA 177 Ca -0.02 0.20 0.00 0.00 0.00 0.00 0.00 51.96 52.15 1gig s ALA 177 Cb 0.01 0.75 -0.00 0.00 0.00 0.00 0.00 23.12 23.88 1gig s ALA 177 CO -0.07 -0.91 -0.01 0.45 0.00 0.00 0.00 175.76 175.22 1gig s SER 178 N -2.81 0.15 -0.02 0.00 0.15 -1.26 -1.60 113.70 108.31 1gig s SER 178 Ca 0.08 -0.09 0.05 0.00 0.70 0.00 0.00 55.95 56.68 1gig s SER 178 Cb -0.03 0.00 -0.01 0.00 -1.71 0.00 0.00 66.02 64.27 1gig s SER 178 CO -0.02 -0.03 -0.16 -0.55 1.20 0.00 0.00 173.24 173.67 1gig s SER 179 N -0.25 1.96 -0.09 5.45 0.15 0.52 -0.99 113.70 120.46 1gig s SER 179 Ca -0.02 -0.30 0.04 0.00 0.70 0.00 0.00 55.95 56.36 1gig s SER 179 Cb -0.02 -0.27 0.00 0.00 -1.71 0.00 0.00 66.02 64.02 1gig s SER 179 CO -0.00 0.19 -0.21 -0.31 1.20 0.00 0.00 173.24 174.11 1gig s TYR 180 N -0.32 2.28 -0.27 3.44 2.02 0.19 -0.91 117.35 123.79 1gig s TYR 180 Ca 0.05 -0.89 -0.02 0.00 -0.37 0.00 0.00 57.07 55.84 1gig s TYR 180 Cb -0.07 -1.54 0.03 0.00 -0.40 0.00 0.00 41.96 39.98 1gig s TYR 180 CO -0.00 -0.36 -0.03 -1.17 -1.57 0.00 0.00 175.55 172.41 1gig s LEU 181 N 0.35 3.43 -0.26 -1.29 2.96 -0.68 -0.78 118.68 122.41 1gig s LEU 181 Ca -0.16 -0.95 -0.10 0.00 -0.22 0.00 0.00 54.13 52.70 1gig s LEU 181 Cb -0.17 -1.70 -0.04 0.00 0.50 0.00 0.00 46.19 44.78 1gig s LEU 181 CO 0.07 -0.17 0.15 -0.89 -1.32 0.00 0.00 176.35 174.19 1gig s THR 182 N 1.33 5.01 0.50 3.68 2.01 -0.67 -0.54 115.64 126.95 1gig s THR 182 Ca -0.01 0.07 0.03 0.00 0.31 0.00 0.00 61.69 62.08 1gig s THR 182 Cb -0.17 -3.36 -0.02 0.00 0.01 0.00 0.00 72.50 68.96 1gig s THR 182 CO -0.03 0.30 0.07 -0.76 -0.69 0.00 0.00 174.62 173.51 1gig s LEU 183 N 1.54 2.47 0.36 4.42 1.43 0.26 -4.81 118.68 124.35 1gig s LEU 183 Ca 0.07 -1.53 -0.02 0.00 -1.03 0.00 0.00 54.13 51.61 1gig s LEU 183 Cb -0.15 -0.85 -0.04 0.00 0.03 0.00 0.00 46.19 45.17 1gig s LEU 183 CO 0.07 -0.81 0.61 0.42 0.23 0.00 0.00 176.35 176.87 1gig s THR 184 N -2.83 5.03 0.34 5.49 -4.23 -1.26 -0.54 115.64 117.65 1gig s THR 184 Ca 0.15 -0.16 0.10 0.00 -1.18 0.00 0.00 61.69 60.60 1gig s THR 184 Cb 0.02 -3.83 0.33 0.00 1.34 0.00 0.00 72.50 70.36 1gig s THR 184 CO 0.08 -0.57 1.81 0.00 -0.54 0.00 0.00 174.62 175.41 1gig h ALA 185 N 0.87 1.85 0.18 3.99 0.00 -1.68 -2.31 119.26 122.17 1gig h ALA 185 Ca -0.48 0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.47 1gig h ALA 185 Cb 1.21 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.90 1gig h ALA 185 CO 0.63 -0.17 -0.16 -0.09 0.00 0.00 0.00 179.25 179.45 1gig h ARG 186 N 0.67 -0.35 -0.56 0.00 9.65 -1.93 -2.22 114.38 119.63 1gig h ARG 186 Ca 0.53 0.02 0.03 0.00 -1.10 0.00 0.00 59.98 59.46 1gig h ARG 186 Cb 0.94 0.08 -0.04 0.00 -1.39 0.00 0.00 29.97 29.56 1gig h ARG 186 CO -0.29 -0.24 0.33 0.00 2.80 0.00 0.00 179.97 182.57 1gig h ALA 187 N 0.41 0.73 -0.53 2.80 0.00 -1.86 -1.61 119.26 119.20 1gig h ALA 187 Ca -0.00 -0.00 0.10 0.00 0.00 0.00 0.00 54.91 55.00 1gig h ALA 187 Cb 0.34 -0.14 -0.08 0.00 0.00 0.00 0.00 17.79 17.91 1gig h ALA 187 CO -0.03 0.03 0.08 2.35 0.00 0.00 0.00 179.25 181.68 1gig h TRP 188 N 0.64 0.11 0.00 0.00 2.91 -1.19 -1.08 115.95 117.34 1gig h TRP 188 Ca 0.23 0.03 0.00 0.00 1.13 0.00 0.00 58.89 60.29 1gig h TRP 188 Cb 0.06 0.03 0.00 0.00 -0.51 0.00 0.00 29.16 28.74 1gig h TRP 188 CO -0.07 -0.05 0.00 0.93 -1.03 0.00 0.00 178.44 178.22 1gig h GLU 189 N 0.21 0.00 0.00 2.65 5.08 -0.74 -3.26 114.58 118.51 1gig h GLU 189 Ca 0.27 0.00 -0.03 0.00 -1.00 0.00 0.00 59.36 58.60 1gig h GLU 189 Cb 0.40 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.64 1gig h GLU 189 CO -0.38 0.00 -0.57 -0.09 -1.00 0.00 0.00 179.01 176.96 1gig h ARG 190 N 0.00 0.00 -6.03 2.33 2.43 -0.28 -3.47 114.38 109.36 1gig h ARG 190 Ca 0.00 0.00 -0.56 0.00 -0.81 0.00 0.00 59.98 58.61 1gig h ARG 190 Cb 0.61 0.00 -0.08 0.00 -0.42 0.00 0.00 29.97 30.08 1gig h ARG 190 CO 0.00 0.10 -0.53 -1.01 -1.51 0.00 0.00 179.97 177.02 1gig s HIS 191 N -3.20 2.65 -0.01 2.20 3.76 -1.07 -5.10 115.29 114.53 1gig s HIS 191 Ca 0.03 -0.46 -0.00 0.00 -0.15 0.00 0.00 55.06 54.48 1gig s HIS 191 Cb 0.07 -1.73 -0.00 0.00 1.11 0.00 0.00 32.58 32.03 1gig s HIS 191 CO 0.74 0.30 -0.01 0.43 -0.85 0.00 0.00 174.74 175.35 1gig n SER 192 N -1.15 1.85 -4.55 1.40 7.64 -1.26 -4.96 113.62 112.58 1gig n SER 192 Ca -0.02 0.00 -0.34 0.00 1.01 0.00 0.00 58.87 59.52 1gig n SER 192 Cb 0.62 -0.02 -0.12 0.00 -1.01 0.00 0.00 64.21 63.69 1gig n SER 192 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 1gig s SER 193 N -4.60 4.51 -0.06 6.43 1.04 -1.26 -3.85 113.70 115.91 1gig s SER 193 Ca -0.01 -0.07 0.02 0.00 0.48 0.00 0.00 55.95 56.37 1gig s SER 193 Cb 0.00 -1.16 0.01 0.00 0.10 0.00 0.00 66.02 64.97 1gig s SER 193 CO 0.01 0.34 -0.12 -0.31 0.98 0.00 0.00 173.24 174.15 1gig s TYR 194 N -0.67 1.39 -0.02 5.02 1.51 -0.53 -0.19 117.35 123.85 1gig s TYR 194 Ca 0.10 -0.49 0.01 0.00 -1.01 0.00 0.00 57.07 55.69 1gig s TYR 194 Cb -0.11 -1.02 0.01 0.00 -0.11 0.00 0.00 41.96 40.73 1gig s TYR 194 CO 0.02 -0.25 -0.05 0.45 -1.11 0.00 0.00 175.55 174.61 1gig s SER 195 N 0.60 0.78 -0.27 2.29 0.15 -0.74 0.06 113.70 116.57 1gig s SER 195 Ca -0.13 -0.11 -0.05 0.00 0.70 0.00 0.00 55.95 56.36 1gig s SER 195 Cb -0.15 -0.24 0.01 0.00 -1.71 0.00 0.00 66.02 63.93 1gig s SER 195 CO 0.03 0.01 0.02 0.00 1.20 0.00 0.00 173.24 174.50 1gig s GLN 197 N 1.43 3.12 -0.18 0.00 -0.44 0.22 -0.51 119.66 123.30 1gig s GLN 197 Ca 0.02 -0.77 -0.03 0.00 -2.50 0.00 0.00 55.36 52.08 1gig s GLN 197 Cb -0.17 -2.81 -0.01 0.00 -1.64 0.00 0.00 33.01 28.38 1gig s GLN 197 CO -0.01 -0.23 -0.07 0.08 0.50 0.00 0.00 175.29 175.56 1gig s VAL 198 N 1.37 3.38 -0.30 1.34 1.01 0.27 0.16 120.40 127.63 1gig s VAL 198 Ca 0.05 -0.51 -0.08 0.00 0.00 0.00 0.00 61.98 61.43 1gig s VAL 198 Cb -0.14 -2.49 -0.00 0.00 0.00 0.00 0.00 36.38 33.74 1gig s VAL 198 CO -0.08 0.46 0.12 -0.89 0.00 0.00 0.00 175.10 174.72 1gig s THR 199 N 0.96 4.36 -0.13 3.92 2.01 0.52 0.00 115.64 127.27 1gig s THR 199 Ca -0.01 -0.51 -0.00 0.00 0.31 0.00 0.00 61.69 61.48 1gig s THR 199 Cb -0.15 -3.22 0.02 0.00 0.01 0.00 0.00 72.50 69.17 1gig s THR 199 CO 0.00 0.08 -0.11 -2.28 -0.69 0.00 0.00 174.62 171.63 1gig s HIS 200 N 1.57 1.83 -0.96 4.92 2.46 0.35 -0.62 115.29 124.84 1gig s HIS 200 Ca 0.04 -0.99 -0.15 0.00 0.47 0.00 0.00 55.06 54.43 1gig s HIS 200 Cb -0.17 -1.41 0.02 0.00 -0.13 0.00 0.00 32.58 30.89 1gig s HIS 200 CO 0.05 -0.59 0.61 0.39 -2.47 0.00 0.00 174.74 172.72 1gig n GLU 201 N 4.86 -0.94 0.00 2.88 -0.58 -1.26 -0.88 120.64 124.72 1gig n GLU 201 Ca -0.15 0.41 0.00 0.00 -0.42 0.00 0.00 57.16 57.01 1gig n GLU 201 Cb 0.50 -2.19 0.00 0.00 -0.57 0.00 0.00 31.44 29.18 1gig n GLU 201 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1gig n GLY 202 N -1.80 1.70 3.89 0.62 0.00 -1.26 -4.99 105.19 103.34 1gig n GLY 202 Ca -0.22 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.51 1gig n GLY 202 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 1gig s HIS 203 N 0.00 3.54 -0.03 1.61 -3.43 -0.06 -5.09 115.29 111.82 1gig s HIS 203 Ca 0.00 0.98 0.06 0.00 -0.80 0.00 0.00 55.06 55.29 1gig s HIS 203 Cb 0.00 -2.42 -0.01 0.00 -1.43 0.00 0.00 32.58 28.72 1gig s HIS 203 CO 0.00 -0.28 -0.20 0.99 -2.00 0.00 0.00 174.74 173.24 1gig s THR 204 N -2.68 1.65 -0.19 -5.38 2.01 -1.26 -0.49 115.64 109.30 1gig s THR 204 Ca 0.50 -0.86 0.00 0.00 0.31 0.00 0.00 61.69 61.64 1gig s THR 204 Cb -0.10 -1.39 0.04 0.00 0.01 0.00 0.00 72.50 71.06 1gig s THR 204 CO 0.41 0.47 -0.08 -0.69 -0.69 0.00 0.00 174.62 174.03 1gig s VAL 205 N -0.22 1.47 0.19 3.82 1.01 0.10 -4.97 120.40 121.80 1gig s VAL 205 Ca 0.01 -0.90 0.11 0.00 0.00 0.00 0.00 61.98 61.20 1gig s VAL 205 Cb -0.11 -1.59 -0.04 0.00 0.00 0.00 0.00 36.38 34.64 1gig s VAL 205 CO 0.01 0.14 -0.22 -1.83 0.00 0.00 0.00 175.10 173.21 1gig s GLU 206 N 1.47 1.60 0.01 2.72 -1.05 -1.26 0.97 118.70 123.17 1gig s GLU 206 Ca -0.01 -1.48 0.01 0.00 -0.15 0.00 0.00 54.97 53.34 1gig s GLU 206 Cb -0.16 -1.90 -0.01 0.00 -0.44 0.00 0.00 34.13 31.62 1gig s GLU 206 CO -0.08 0.41 -0.04 0.15 0.95 0.00 0.00 175.26 176.64 1gig s LYS 207 N -2.67 0.34 0.20 -4.83 -0.14 0.33 -4.96 119.74 108.01 1gig s LYS 207 Ca 0.21 -0.37 0.01 0.00 -1.36 0.00 0.00 55.97 54.45 1gig s LYS 207 Cb -0.08 -0.20 -0.05 0.00 -1.68 0.00 0.00 37.83 35.82 1gig s LYS 207 CO 0.11 0.04 0.07 -1.12 -0.76 0.00 0.00 175.35 173.69 1gig s SER 208 N -0.72 0.86 0.27 2.83 0.01 -1.26 -0.12 113.70 115.57 1gig s SER 208 Ca -0.05 -1.30 -0.11 0.00 1.31 0.00 0.00 55.95 55.80 1gig s SER 208 Cb -0.05 0.21 -0.00 0.00 0.21 0.00 0.00 66.02 66.39 1gig s SER 208 CO -0.00 -0.71 0.49 -1.48 0.41 0.00 0.00 173.24 171.95 1gig s LEU 209 N -3.20 0.43 0.00 2.44 0.05 0.11 -4.98 118.68 113.53 1gig s LEU 209 Ca 0.32 -1.05 0.00 0.00 0.05 0.00 0.00 54.13 53.45 1gig s LEU 209 Cb 0.07 1.75 0.00 0.00 -2.05 0.00 0.00 46.19 45.96 1gig s LEU 209 CO 0.09 -1.19 0.08 -1.20 -0.55 0.00 0.00 176.35 173.57