#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1s3k s ILE 2 N 0.00 4.85 -0.10 0.53 1.01 -1.26 -4.99 121.20 121.24 1s3k s ILE 2 Ca 0.00 0.65 -0.24 0.00 0.00 0.00 0.00 60.65 61.06 1s3k s ILE 2 Cb 0.00 -4.12 -0.03 0.00 0.01 0.00 0.00 42.46 38.32 1s3k s ILE 2 CO 0.00 -0.35 0.75 -1.10 0.00 0.00 0.00 174.94 174.24 1s3k s GLN 3 N 2.82 4.39 -0.29 2.79 1.11 -1.26 -4.77 119.66 124.45 1s3k s GLN 3 Ca 0.26 0.94 -0.09 0.00 0.01 0.00 0.00 55.36 56.48 1s3k s GLN 3 Cb -0.14 -3.49 -0.02 0.00 -1.01 0.00 0.00 33.01 28.35 1s3k s GLN 3 CO 0.15 -0.07 0.13 -1.64 0.01 0.00 0.00 175.29 173.88 1s3k s MET 4 N 1.25 3.48 -0.22 2.91 -1.94 -1.26 -1.21 119.30 122.30 1s3k s MET 4 Ca 0.38 -0.61 -0.03 0.00 -1.71 0.00 0.00 55.69 53.72 1s3k s MET 4 Cb -0.18 -3.51 -0.00 0.00 2.01 0.00 0.00 34.83 33.16 1s3k s MET 4 CO 0.17 -0.33 -0.06 0.99 -0.01 0.00 0.00 175.02 175.78 1s3k s THR 5 N 1.63 3.16 0.07 2.05 2.01 -0.41 -3.81 115.64 120.33 1s3k s THR 5 Ca 0.05 -0.62 -0.05 0.00 0.31 0.00 0.00 61.69 61.39 1s3k s THR 5 Cb -0.16 -2.45 -0.05 0.00 0.01 0.00 0.00 72.50 69.85 1s3k s THR 5 CO 0.06 0.40 0.30 -1.10 -0.69 0.00 0.00 174.62 173.59 1s3k s GLN 6 N 1.44 3.57 -0.02 4.92 -0.21 -1.26 -0.94 119.66 127.15 1s3k s GLN 6 Ca 0.05 -0.15 -0.00 0.00 0.02 0.00 0.00 55.36 55.28 1s3k s GLN 6 Cb -0.14 -2.99 0.03 0.00 1.00 0.00 0.00 33.01 30.90 1s3k s GLN 6 CO -0.05 0.58 0.04 -1.12 -2.12 0.00 0.00 175.29 172.62 1s3k s SER 7 N -2.12 0.05 0.78 5.90 0.01 -0.04 -4.38 113.70 113.89 1s3k s SER 7 Ca 0.34 0.07 -0.08 0.00 1.31 0.00 0.00 55.95 57.59 1s3k s SER 7 Cb -0.13 -0.04 0.11 0.00 0.21 0.00 0.00 66.02 66.18 1s3k s SER 7 CO 0.22 -0.13 1.10 -2.16 0.41 0.00 0.00 173.24 172.67 1s3k s PRO 8 N 1.05 1.67 0.45 12.44 0.04 -1.26 -1.11 135.00 148.28 1s3k s PRO 8 Ca -0.09 -0.47 0.25 0.00 0.04 0.00 0.00 61.00 60.74 1s3k s PRO 8 Cb -0.12 -2.11 0.90 0.00 0.04 0.00 0.00 34.50 33.20 1s3k s PRO 8 CO -0.03 -1.60 1.81 0.77 0.04 0.00 0.00 177.00 177.99 1s3k h SER 9 N -0.87 0.00 -4.36 6.66 0.02 -1.86 -3.43 113.55 109.72 1s3k h SER 9 Ca -0.43 0.00 0.13 0.00 -0.84 0.00 0.00 61.79 60.65 1s3k h SER 9 Cb 1.28 0.00 -0.19 0.00 0.14 0.00 0.00 62.40 63.64 1s3k h SER 9 CO 0.50 0.18 0.57 -0.94 -1.14 0.00 0.00 176.83 176.01 1s3k s SER 10 N -6.11 -0.32 0.14 3.07 1.04 -1.26 -1.56 113.70 108.70 1s3k s SER 10 Ca 0.01 0.15 -0.25 0.00 0.48 0.00 0.00 55.95 56.34 1s3k s SER 10 Cb 0.09 0.31 0.06 0.00 0.10 0.00 0.00 66.02 66.59 1s3k s SER 10 CO 0.63 -0.44 0.87 -1.48 0.98 0.00 0.00 173.24 173.80 1s3k s LEU 11 N -1.90 -0.26 0.03 2.42 2.34 -0.06 -4.91 118.68 116.33 1s3k s LEU 11 Ca 0.03 -0.32 0.04 0.00 0.06 0.00 0.00 54.13 53.94 1s3k s LEU 11 Cb -0.01 2.27 -0.02 0.00 -0.56 0.00 0.00 46.19 47.87 1s3k s LEU 11 CO -0.04 -0.93 -0.12 -0.55 -1.06 0.00 0.00 176.35 173.65 1s3k s SER 12 N -2.83 1.36 0.08 1.48 0.15 -1.26 -0.88 113.70 111.81 1s3k s SER 12 Ca 0.10 -0.41 -0.10 0.00 0.70 0.00 0.00 55.95 56.23 1s3k s SER 12 Cb -0.02 -0.08 0.01 0.00 -1.71 0.00 0.00 66.02 64.22 1s3k s SER 12 CO -0.01 0.00 0.23 0.00 1.20 0.00 0.00 173.24 174.67 1s3k s ALA 13 N -0.81 -0.40 0.44 5.45 0.00 -1.00 -4.84 121.76 120.60 1s3k s ALA 13 Ca -0.00 -0.41 -0.13 0.00 0.00 0.00 0.00 51.96 51.42 1s3k s ALA 13 Cb -0.07 0.46 -0.07 0.00 0.00 0.00 0.00 23.12 23.44 1s3k s ALA 13 CO 0.01 -0.49 0.84 -1.12 0.00 0.00 0.00 175.76 175.00 1s3k s SER 14 N -2.64 6.56 0.30 0.00 0.01 -1.26 -0.28 113.70 116.38 1s3k s SER 14 Ca 0.02 1.28 -0.30 0.00 1.31 0.00 0.00 55.95 58.27 1s3k s SER 14 Cb 0.03 -2.39 -0.12 0.00 0.21 0.00 0.00 66.02 63.75 1s3k s SER 14 CO -0.09 -0.47 1.46 0.52 0.41 0.00 0.00 173.24 175.08 1s3k n VAL 15 N -1.40 1.35 -0.10 3.43 0.31 -1.26 -1.43 118.33 119.24 1s3k n VAL 15 Ca 0.04 -0.34 0.00 0.00 -0.01 0.00 0.00 64.34 64.03 1s3k n VAL 15 Cb 0.54 -1.74 0.00 0.00 -0.91 0.00 0.00 33.84 31.73 1s3k n VAL 15 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1s3k n GLY 16 N 1.61 1.06 3.85 2.92 0.00 0.14 -4.90 105.19 109.88 1s3k n GLY 16 Ca 0.07 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.78 1s3k n GLY 16 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1s3k s ASP 17 N -2.84 6.00 -0.29 1.61 1.11 -0.51 -4.43 116.67 117.32 1s3k s ASP 17 Ca 0.00 1.50 -0.14 0.00 0.18 0.00 0.00 52.55 54.10 1s3k s ASP 17 Cb 0.00 -2.48 -0.04 0.00 1.07 0.00 0.00 42.92 41.47 1s3k s ASP 17 CO 0.00 -1.02 0.31 -0.60 1.18 0.00 0.00 175.17 175.03 1s3k s ARG 18 N -5.01 3.91 -0.08 8.23 3.52 -1.24 -0.76 118.95 127.52 1s3k s ARG 18 Ca 0.57 -0.17 0.00 0.00 -0.13 0.00 0.00 55.73 56.00 1s3k s ARG 18 Cb -0.12 -3.68 -0.03 0.00 -1.56 0.00 0.00 34.95 29.56 1s3k s ARG 18 CO 0.52 -0.28 -0.08 0.08 -0.81 0.00 0.00 175.30 174.72 1s3k s VAL 19 N 1.95 3.58 -0.07 7.11 1.01 -0.13 -4.98 120.40 128.87 1s3k s VAL 19 Ca 0.12 -0.51 0.02 0.00 0.00 0.00 0.00 61.98 61.60 1s3k s VAL 19 Cb -0.16 -2.47 0.02 0.00 0.00 0.00 0.00 36.38 33.76 1s3k s VAL 19 CO 0.11 0.58 -0.10 -0.89 0.00 0.00 0.00 175.10 174.80 1s3k s THR 20 N -0.52 0.97 0.05 3.92 2.01 -1.26 -0.98 115.64 119.82 1s3k s THR 20 Ca 0.08 -0.36 0.09 0.00 0.31 0.00 0.00 61.69 61.80 1s3k s THR 20 Cb -0.12 -0.92 -0.03 0.00 0.01 0.00 0.00 72.50 71.44 1s3k s THR 20 CO 0.02 0.32 -0.23 -0.63 -0.69 0.00 0.00 174.62 173.41 1s3k s ILE 21 N 0.87 2.43 0.15 1.82 1.01 0.33 -4.81 121.20 123.00 1s3k s ILE 21 Ca -0.11 -1.34 0.10 0.00 0.00 0.00 0.00 60.65 59.30 1s3k s ILE 21 Cb -0.15 -1.99 -0.04 0.00 0.01 0.00 0.00 42.46 40.28 1s3k s ILE 21 CO 0.01 0.33 -0.24 0.42 0.00 0.00 0.00 174.94 175.46 1s3k s THR 22 N -0.88 2.14 -0.04 2.92 -4.23 -0.27 -0.01 115.64 115.28 1s3k s THR 22 Ca 0.13 -1.81 0.00 0.00 -1.18 0.00 0.00 61.69 58.83 1s3k s THR 22 Cb -0.10 -1.94 0.03 0.00 1.34 0.00 0.00 72.50 71.82 1s3k s THR 22 CO 0.04 -0.03 -0.01 0.00 -0.54 0.00 0.00 174.62 174.08 1s3k s ARG 24 N 1.10 2.01 0.24 0.00 1.70 -0.12 -0.71 118.95 123.18 1s3k s ARG 24 Ca -0.09 -0.50 -0.13 0.00 -0.47 0.00 0.00 55.73 54.54 1s3k s ARG 24 Cb -0.14 -1.71 -0.08 0.00 -0.57 0.00 0.00 34.95 32.45 1s3k s ARG 24 CO -0.02 -0.04 0.63 -1.54 -1.08 0.00 0.00 175.30 173.25 1s3k s SER 25 N 0.91 6.76 0.23 -2.89 1.04 -0.34 -1.29 113.70 118.12 1s3k s SER 25 Ca -0.09 1.12 0.23 0.00 0.48 0.00 0.00 55.95 57.70 1s3k s SER 25 Cb -0.15 -2.31 0.93 0.00 0.10 0.00 0.00 66.02 64.59 1s3k s SER 25 CO 0.00 -0.07 1.71 -1.54 0.98 0.00 0.00 173.24 174.32 1s3k n SER 26 N 0.08 0.63 -4.04 7.02 3.41 -0.35 -4.80 113.62 115.57 1s3k n SER 26 Ca -0.00 0.64 -0.10 0.00 -0.26 0.00 0.00 58.87 59.15 1s3k n SER 26 Cb 0.52 -0.78 -0.07 0.00 -0.26 0.00 0.00 64.21 63.62 1s3k n SER 26 CO 0.00 0.00 0.00 -1.10 -0.16 0.00 0.00 175.04 173.78 1s3k s GLN 27 N -3.25 1.35 0.53 4.33 -0.21 -1.26 -4.97 119.66 116.17 1s3k s GLN 27 Ca 0.06 -1.34 -0.22 0.00 0.02 0.00 0.00 55.36 53.88 1s3k s GLN 27 Cb 0.10 0.39 -0.05 0.00 1.00 0.00 0.00 33.01 34.45 1s3k s GLN 27 CO 0.42 -0.52 1.32 0.50 -2.12 0.00 0.00 175.29 174.89 1s3k s ARG 28 N -4.04 3.25 -0.43 2.91 6.06 -1.26 -4.76 118.95 120.67 1s3k s ARG 28 Ca 0.26 2.13 0.08 0.00 -2.50 0.00 0.00 55.73 55.70 1s3k s ARG 28 Cb 0.02 -2.28 0.41 0.00 0.06 0.00 0.00 34.95 33.17 1s3k s ARG 28 CO 0.08 -1.07 1.02 0.44 -2.50 0.00 0.00 175.30 173.27 1s3k n ILE 29 N -0.94 1.99 -3.63 4.11 -5.35 -1.24 -5.01 119.36 109.29 1s3k n ILE 29 Ca 0.10 -4.59 -0.39 0.00 -0.27 0.00 0.00 62.75 57.60 1s3k n ILE 29 Cb 0.46 -0.78 -0.11 0.00 -1.74 0.00 0.00 39.64 37.47 1s3k n ILE 29 CO 0.00 0.00 0.00 0.54 -1.76 0.00 0.00 176.55 175.33 1s3k s VAL 30 N -4.58 4.74 0.77 7.28 0.11 -1.26 -4.16 120.40 123.30 1s3k s VAL 30 Ca 0.43 -0.35 -0.14 0.00 -2.93 0.00 0.00 61.98 58.98 1s3k s VAL 30 Cb 0.39 -3.41 0.06 0.00 -1.53 0.00 0.00 36.38 31.89 1s3k s VAL 30 CO -0.12 0.07 1.23 -2.28 -3.33 0.00 0.00 175.10 170.67 1s3k s HIS 31 N 1.64 1.86 0.55 1.54 2.46 0.17 -4.83 115.29 118.68 1s3k s HIS 31 Ca 0.05 1.63 0.26 0.00 0.47 0.00 0.00 55.06 57.47 1s3k s HIS 31 Cb -0.17 -3.54 1.46 0.00 -0.13 0.00 0.00 32.58 30.20 1s3k s HIS 31 CO 0.07 -2.88 2.00 0.66 -2.47 0.00 0.00 174.74 172.12 1s3k h SER 32 N -0.57 0.00 -0.13 9.88 4.64 -1.86 0.32 113.55 125.83 1s3k h SER 32 Ca -0.47 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.85 1s3k h SER 32 Cb 1.31 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.40 1s3k h SER 32 CO 0.48 0.00 0.00 -0.46 -0.87 0.00 0.00 176.83 175.98 1s3k n ASN 33 N -4.16 0.70 0.00 4.97 0.23 -1.26 -4.88 115.26 110.86 1s3k n ASN 33 Ca 0.08 -2.00 0.00 0.00 -0.53 0.00 0.00 54.58 52.12 1s3k n ASN 33 Cb 0.56 -0.10 0.00 0.00 -2.08 0.00 0.00 39.78 38.16 1s3k n ASN 33 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1s3k n GLY 34 N 0.69 2.30 3.86 4.83 0.00 0.11 -5.05 105.19 111.93 1s3k n GLY 34 Ca 0.04 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.75 1s3k n GLY 34 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1s3k s ASN 35 N -2.19 6.55 -0.38 1.61 0.01 -1.25 -4.72 114.94 114.58 1s3k s ASN 35 Ca 0.00 1.40 -0.03 0.00 -0.71 0.00 0.00 52.86 53.53 1s3k s ASN 35 Cb 0.00 -2.44 0.09 0.00 0.41 0.00 0.00 41.25 39.31 1s3k s ASN 35 CO 0.00 -0.54 0.15 -0.89 -1.51 0.00 0.00 177.10 174.30 1s3k s THR 36 N -2.58 3.21 -1.30 1.60 2.01 -1.26 0.45 115.64 117.77 1s3k s THR 36 Ca 0.56 -1.86 -0.11 0.00 0.31 0.00 0.00 61.69 60.59 1s3k s THR 36 Cb -0.10 -3.11 0.15 0.00 0.01 0.00 0.00 72.50 69.45 1s3k s THR 36 CO 0.33 -0.53 1.86 -1.22 -0.69 0.00 0.00 174.62 174.37 1s3k n TYR 37 N 4.60 3.36 -4.25 4.92 4.01 -1.26 -3.76 117.16 124.77 1s3k n TYR 37 Ca -0.05 -2.90 -0.34 0.00 -0.16 0.00 0.00 57.90 54.45 1s3k n TYR 37 Cb 0.42 -2.09 -0.12 0.00 -0.31 0.00 0.00 39.34 37.25 1s3k n TYR 37 CO 0.00 0.00 0.00 -1.17 -0.46 0.00 0.00 176.86 175.23 1s3k s LEU 38 N 0.56 3.39 0.12 7.72 1.98 -1.26 -1.00 118.68 130.18 1s3k s LEU 38 Ca 0.41 -0.09 0.05 0.00 -2.89 0.00 0.00 54.13 51.61 1s3k s LEU 38 Cb 0.08 -1.83 -0.04 0.00 0.66 0.00 0.00 46.19 45.06 1s3k s LEU 38 CO -0.01 0.15 -0.12 -1.61 -1.89 0.00 0.00 176.35 172.88 1s3k s GLU 39 N 0.47 0.97 -0.07 1.98 2.02 0.76 -0.39 118.70 124.44 1s3k s GLU 39 Ca -0.02 -1.25 0.05 0.00 0.02 0.00 0.00 54.97 53.77 1s3k s GLU 39 Cb -0.14 -0.72 -0.01 0.00 0.10 0.00 0.00 34.13 33.37 1s3k s GLU 39 CO 0.02 0.12 -0.24 -1.58 0.02 0.00 0.00 175.26 173.60 1s3k s TRP 40 N -2.48 2.44 0.12 1.61 0.52 -0.13 -0.00 118.94 121.02 1s3k s TRP 40 Ca 0.09 -0.83 0.10 0.00 0.02 0.00 0.00 56.10 55.49 1s3k s TRP 40 Cb -0.03 -1.61 -0.04 0.00 -1.15 0.00 0.00 33.47 30.64 1s3k s TRP 40 CO 0.02 -0.29 -0.25 0.71 0.02 0.00 0.00 176.95 177.16 1s3k s TYR 41 N 0.03 2.16 -0.07 -1.98 2.02 0.11 -1.79 117.35 117.83 1s3k s TYR 41 Ca -0.09 -0.39 0.05 0.00 -0.37 0.00 0.00 57.07 56.27 1s3k s TYR 41 Cb -0.15 -1.17 -0.01 0.00 -0.40 0.00 0.00 41.96 40.23 1s3k s TYR 41 CO 0.05 0.30 -0.24 -1.14 -1.57 0.00 0.00 175.55 172.96 1s3k s GLN 42 N -2.02 2.74 -0.06 -0.62 0.74 -0.48 -0.97 119.66 118.98 1s3k s GLN 42 Ca 0.12 -0.89 -0.01 0.00 0.05 0.00 0.00 55.36 54.63 1s3k s GLN 42 Cb -0.10 -2.22 0.03 0.00 1.10 0.00 0.00 33.01 31.81 1s3k s GLN 42 CO 0.06 0.32 0.00 -1.14 -0.55 0.00 0.00 175.29 173.98 1s3k s GLN 43 N 0.00 0.49 0.06 1.67 0.74 -0.01 0.08 119.66 122.70 1s3k s GLN 43 Ca -0.09 0.12 -0.01 0.00 0.05 0.00 0.00 55.36 55.43 1s3k s GLN 43 Cb -0.15 -0.82 -0.04 0.00 1.10 0.00 0.00 33.01 33.09 1s3k s GLN 43 CO 0.05 -0.26 0.23 0.95 -0.55 0.00 0.00 175.29 175.72 1s3k s THR 44 N 1.75 5.36 0.07 -0.34 -4.23 -1.26 -1.05 115.64 115.93 1s3k s THR 44 Ca 0.01 -0.27 -0.37 0.00 -1.18 0.00 0.00 61.69 59.88 1s3k s THR 44 Cb -0.13 -3.61 -0.17 0.00 1.34 0.00 0.00 72.50 69.93 1s3k s THR 44 CO -0.04 0.16 1.29 -0.81 -0.54 0.00 0.00 174.62 174.69 1s3k n PRO 45 N 0.39 0.95 -0.15 3.99 -0.04 -1.26 -1.92 135.00 136.95 1s3k n PRO 45 Ca -0.06 0.34 0.00 0.00 -0.04 0.00 0.00 63.50 63.74 1s3k n PRO 45 Cb 0.51 -1.96 0.00 0.00 -0.04 0.00 0.00 33.50 32.01 1s3k n PRO 45 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1s3k n GLY 46 N 2.34 2.39 3.64 0.55 0.00 -1.26 -5.01 105.19 107.84 1s3k n GLY 46 Ca 0.19 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.96 1s3k n GLY 46 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1s3k s LYS 47 N -0.11 2.13 0.54 1.61 1.02 -0.81 -5.12 119.74 119.00 1s3k s LYS 47 Ca 0.00 -1.69 -0.19 0.00 0.02 0.00 0.00 55.97 54.11 1s3k s LYS 47 Cb 0.00 -1.98 -0.06 0.00 -0.52 0.00 0.00 37.83 35.27 1s3k s LYS 47 CO 0.00 0.16 1.08 0.00 -0.92 0.00 0.00 175.35 175.67 1s3k s ALA 48 N -2.49 2.76 0.94 5.17 0.00 -1.26 -4.60 121.76 122.28 1s3k s ALA 48 Ca 0.35 0.63 -0.11 0.00 0.00 0.00 0.00 51.96 52.82 1s3k s ALA 48 Cb -0.01 -3.29 0.16 0.00 0.00 0.00 0.00 23.12 19.98 1s3k s ALA 48 CO 0.20 -0.63 1.10 -2.14 0.00 0.00 0.00 175.76 174.29 1s3k s PRO 49 N -3.49 0.85 -0.06 0.00 0.02 -1.26 -4.69 135.00 126.38 1s3k s PRO 49 Ca 0.68 1.17 0.03 0.00 0.02 0.00 0.00 61.00 62.90 1s3k s PRO 49 Cb -0.19 -1.74 0.01 0.00 0.02 0.00 0.00 34.50 32.60 1s3k s PRO 49 CO 0.27 -2.62 -0.14 0.15 -0.33 0.00 0.00 177.00 174.33 1s3k s LYS 50 N -4.72 1.70 0.14 5.54 1.02 0.11 -4.94 119.74 118.59 1s3k s LYS 50 Ca 0.65 -0.48 -0.30 0.00 0.02 0.00 0.00 55.97 55.86 1s3k s LYS 50 Cb -0.21 -1.43 -0.07 0.00 -0.52 0.00 0.00 37.83 35.60 1s3k s LYS 50 CO 0.59 0.11 1.22 -1.17 -0.92 0.00 0.00 175.35 175.18 1s3k s LEU 51 N 0.41 4.41 -0.07 3.17 2.96 -1.26 -1.38 118.68 126.92 1s3k s LEU 51 Ca -0.10 2.18 -0.02 0.00 -0.22 0.00 0.00 54.13 55.97 1s3k s LEU 51 Cb -0.14 -3.60 -0.03 0.00 0.50 0.00 0.00 46.19 42.92 1s3k s LEU 51 CO 0.03 -0.44 -0.07 0.18 -1.32 0.00 0.00 176.35 174.73 1s3k n LEU 52 N 3.13 1.63 -3.92 -0.68 4.77 -0.74 -4.77 117.00 116.42 1s3k n LEU 52 Ca 0.07 0.03 -0.15 0.00 -0.03 0.00 0.00 56.01 55.93 1s3k n LEU 52 Cb 0.45 -0.21 -0.14 0.00 -2.33 0.00 0.00 43.42 41.19 1s3k n LEU 52 CO 0.56 0.35 -0.39 -0.63 -1.33 0.00 0.00 177.39 175.96 1s3k s ILE 53 N -2.12 0.26 0.07 -0.08 -1.09 -1.14 -1.90 121.20 115.20 1s3k s ILE 53 Ca -0.09 -0.12 0.01 0.00 -2.23 0.00 0.00 60.65 58.22 1s3k s ILE 53 Cb 0.03 -0.24 -0.04 0.00 -1.58 0.00 0.00 42.46 40.64 1s3k s ILE 53 CO 0.13 0.08 -0.06 -0.72 -1.23 0.00 0.00 174.94 173.14 1s3k s TYR 54 N 0.03 0.74 -1.37 3.97 1.13 0.27 -0.95 117.35 121.17 1s3k s TYR 54 Ca 0.00 -0.85 -0.04 0.00 -1.41 0.00 0.00 57.07 54.77 1s3k s TYR 54 Cb -0.03 -0.45 0.02 0.00 -1.10 0.00 0.00 41.96 40.40 1s3k s TYR 54 CO -0.00 -0.19 0.76 1.63 -2.51 0.00 0.00 175.55 175.24 1s3k n LYS 55 N 0.34 -5.01 0.00 -3.49 5.02 -0.75 -1.32 118.16 112.95 1s3k n LYS 55 Ca -0.15 0.60 0.00 0.00 -2.02 0.00 0.00 58.31 56.74 1s3k n LYS 55 Cb 0.59 -5.23 0.00 0.00 -0.02 0.00 0.00 35.03 30.38 1s3k n LYS 55 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 1s3k n VAL 56 N -4.39 0.00 -0.45 -0.18 0.31 0.48 -4.04 118.33 110.05 1s3k n VAL 56 Ca -0.21 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.12 1s3k n VAL 56 Cb 0.64 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.57 1s3k n VAL 56 CO 0.00 0.00 0.00 -1.54 -1.32 0.00 0.00 176.83 173.97 1s3k n SER 57 N 1.72 0.74 -4.70 4.52 3.41 -1.22 -3.38 113.62 114.71 1s3k n SER 57 Ca 0.00 -1.19 -0.40 0.00 -0.26 0.00 0.00 58.87 57.02 1s3k n SER 57 Cb 0.00 0.00 -0.05 0.00 -0.26 0.00 0.00 64.21 63.90 1s3k n SER 57 CO 0.00 0.00 0.00 0.20 -0.16 0.00 0.00 175.04 175.08 1s3k s ASN 58 N -0.19 6.93 -0.09 4.04 0.01 -0.44 -4.62 114.94 120.58 1s3k s ASN 58 Ca 0.00 1.13 -0.26 0.00 -0.71 0.00 0.00 52.86 53.02 1s3k s ASN 58 Cb 0.00 -2.40 -0.03 0.00 0.41 0.00 0.00 41.25 39.23 1s3k s ASN 58 CO 0.00 -0.17 0.81 -0.60 -1.51 0.00 0.00 177.10 175.63 1s3k s ARG 59 N 1.12 4.42 0.66 -0.60 3.52 -1.26 -0.56 118.95 126.24 1s3k s ARG 59 Ca 0.36 1.05 -0.16 0.00 -0.13 0.00 0.00 55.73 56.85 1s3k s ARG 59 Cb -0.17 -3.49 0.00 0.00 -1.56 0.00 0.00 34.95 29.73 1s3k s ARG 59 CO 0.16 -0.10 1.14 0.12 -0.81 0.00 0.00 175.30 175.81 1s3k s PHE 60 N 1.32 2.47 0.13 5.12 5.36 -0.80 -4.91 117.98 126.67 1s3k s PHE 60 Ca 0.41 1.56 -0.34 0.00 -0.96 0.00 0.00 56.93 57.60 1s3k s PHE 60 Cb -0.18 -3.27 -0.14 0.00 -0.34 0.00 0.00 43.02 39.09 1s3k s PHE 60 CO 0.18 -1.93 1.55 0.43 -1.46 0.00 0.00 175.22 174.00 1s3k n SER 61 N -2.33 2.84 0.00 6.13 7.64 -1.26 -1.80 113.62 124.83 1s3k n SER 61 Ca 0.11 1.08 0.00 0.00 1.01 0.00 0.00 58.87 61.08 1s3k n SER 61 Cb 0.51 -1.38 0.00 0.00 -1.01 0.00 0.00 64.21 62.34 1s3k n SER 61 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1s3k n GLY 62 N 3.31 2.25 3.69 0.23 0.00 -1.26 -5.02 105.19 108.39 1s3k n GLY 62 Ca 0.18 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.77 1s3k n GLY 62 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1s3k s VAL 63 N -2.34 3.94 0.37 1.61 1.01 -0.75 -4.96 120.40 119.28 1s3k s VAL 63 Ca 0.00 1.29 -0.26 0.00 0.00 0.00 0.00 61.98 63.02 1s3k s VAL 63 Cb 0.00 -3.83 -0.12 0.00 0.00 0.00 0.00 36.38 32.43 1s3k s VAL 63 CO 0.00 -0.00 0.97 -0.81 0.00 0.00 0.00 175.10 175.26 1s3k n PRO 64 N 5.33 1.29 0.21 2.72 -0.04 -1.26 -4.85 135.00 138.40 1s3k n PRO 64 Ca 0.12 0.46 0.14 0.00 -0.04 0.00 0.00 63.50 64.19 1s3k n PRO 64 Cb 0.45 -1.92 0.75 0.00 -0.04 0.00 0.00 33.50 32.73 1s3k n PRO 64 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 1s3k h SER 65 N 1.65 0.00 0.65 3.54 4.64 -2.00 -2.55 113.55 119.49 1s3k h SER 65 Ca -0.42 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.90 1s3k h SER 65 Cb 1.34 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.43 1s3k h SER 65 CO 0.58 0.00 0.00 0.08 -0.87 0.00 0.00 176.83 176.62 1s3k h ARG 66 N 0.00 0.00 -5.94 4.77 0.11 -1.94 -3.43 114.38 107.96 1s3k h ARG 66 Ca 0.00 0.00 -0.60 0.00 0.10 0.00 0.00 59.98 59.48 1s3k h ARG 66 Cb 0.05 0.00 -0.06 0.00 1.11 0.00 0.00 29.97 31.07 1s3k h ARG 66 CO 0.00 0.00 -0.19 -0.06 0.10 0.00 0.00 179.97 179.82 1s3k s PHE 67 N -3.68 3.68 0.16 4.08 0.08 -0.96 -0.58 117.98 120.75 1s3k s PHE 67 Ca 0.00 0.97 -0.17 0.00 0.12 0.00 0.00 56.93 57.85 1s3k s PHE 67 Cb 0.10 -2.36 0.03 0.00 -0.57 0.00 0.00 43.02 40.22 1s3k s PHE 67 CO 0.45 0.52 0.46 -1.54 -0.10 0.00 0.00 175.22 175.01 1s3k s SER 68 N -0.65 -0.25 0.04 1.36 1.04 -0.22 -4.97 113.70 110.05 1s3k s SER 68 Ca 0.24 -0.40 -0.01 0.00 0.48 0.00 0.00 55.95 56.26 1s3k s SER 68 Cb -0.16 0.53 -0.03 0.00 0.10 0.00 0.00 66.02 66.45 1s3k s SER 68 CO 0.13 -0.95 -0.02 -0.83 0.98 0.00 0.00 173.24 172.55 1s3k s GLY 69 N -2.84 0.39 0.23 7.32 0.00 -1.26 -0.54 107.32 110.61 1s3k s GLY 69 Ca 0.06 -1.01 -0.09 0.00 0.00 0.00 0.00 44.72 43.69 1s3k s GLY 69 CO -0.07 -1.11 0.48 -1.14 0.00 0.00 0.00 173.10 171.25 1s3k n SER 70 N 0.52 -1.34 0.00 1.64 3.41 -0.36 -4.24 113.62 113.24 1s3k n SER 70 Ca -0.17 -1.91 0.00 0.00 -0.26 0.00 0.00 58.87 56.53 1s3k n SER 70 Cb 0.59 2.23 0.00 0.00 -0.26 0.00 0.00 64.21 66.77 1s3k n SER 70 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1s3k n GLY 71 N -0.32 0.36 3.60 5.00 0.00 -1.26 -1.05 105.19 111.51 1s3k n GLY 71 Ca -0.05 -2.31 -0.03 0.00 0.00 0.00 0.00 46.02 43.63 1s3k n GLY 71 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1s3k s SER 72 N -0.79 -0.11 1.05 1.61 1.04 -0.72 -4.96 113.70 110.82 1s3k s SER 72 Ca 0.00 -0.03 0.00 0.00 0.48 0.00 0.00 55.95 56.40 1s3k s SER 72 Cb 0.00 0.14 0.00 0.00 0.10 0.00 0.00 66.02 66.26 1s3k s SER 72 CO 0.00 -0.23 0.00 0.61 0.98 0.00 0.00 173.24 174.60 1s3k n GLY 73 N -0.17 1.43 0.00 7.32 0.00 -1.26 -2.50 105.19 110.01 1s3k n GLY 73 Ca -0.01 0.11 0.00 0.00 0.00 0.00 0.00 46.02 46.12 1s3k n GLY 73 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1s3k n THR 74 N 0.00 0.36 -3.96 2.61 -2.24 -1.26 -3.70 114.28 106.09 1s3k n THR 74 Ca 0.00 -0.59 -0.28 0.00 -2.27 0.00 0.00 64.05 60.91 1s3k n THR 74 Cb 0.00 0.93 -0.17 0.00 -2.10 0.00 0.00 70.33 68.99 1s3k n THR 74 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 1s3k s ASP 75 N -0.36 2.48 0.15 3.42 1.01 -1.04 -1.20 116.67 121.14 1s3k s ASP 75 Ca 0.00 -0.42 0.06 0.00 0.71 0.00 0.00 52.55 52.90 1s3k s ASP 75 Cb 0.00 -1.01 -0.04 0.00 1.01 0.00 0.00 42.92 42.87 1s3k s ASP 75 CO 0.00 -0.09 -0.13 -0.36 0.21 0.00 0.00 175.17 174.79 1s3k s PHE 76 N 1.59 1.49 -0.00 4.23 0.40 0.11 -1.75 117.98 124.05 1s3k s PHE 76 Ca 0.05 -0.60 0.02 0.00 -0.60 0.00 0.00 56.93 55.79 1s3k s PHE 76 Cb -0.13 -0.74 -0.01 0.00 0.51 0.00 0.00 43.02 42.66 1s3k s PHE 76 CO -0.09 0.20 -0.06 0.95 0.70 0.00 0.00 175.22 176.92 1s3k s THR 77 N -2.66 0.44 -0.10 0.64 -4.23 -0.22 -1.00 115.64 108.52 1s3k s THR 77 Ca 0.15 -0.31 0.01 0.00 -1.18 0.00 0.00 61.69 60.36 1s3k s THR 77 Cb -0.02 -0.39 -0.02 0.00 1.34 0.00 0.00 72.50 73.41 1s3k s THR 77 CO 0.04 0.08 -0.11 0.12 -0.54 0.00 0.00 174.62 174.20 1s3k s PHE 78 N -0.24 2.82 -0.02 3.99 5.36 0.99 -1.22 117.98 129.66 1s3k s PHE 78 Ca 0.01 -0.33 0.02 0.00 -0.96 0.00 0.00 56.93 55.67 1s3k s PHE 78 Cb -0.03 -1.77 0.00 0.00 -0.34 0.00 0.00 43.02 40.89 1s3k s PHE 78 CO -0.00 0.03 -0.06 0.99 -1.46 0.00 0.00 175.22 174.72 1s3k s THR 79 N -0.19 0.54 -0.26 0.12 2.01 0.30 -0.51 115.64 117.64 1s3k s THR 79 Ca 0.01 -0.23 -0.04 0.00 0.31 0.00 0.00 61.69 61.73 1s3k s THR 79 Cb -0.13 -0.49 0.01 0.00 0.01 0.00 0.00 72.50 71.90 1s3k s THR 79 CO 0.03 0.18 0.01 -0.63 -0.69 0.00 0.00 174.62 173.52 1s3k s ILE 80 N 0.21 3.48 0.10 1.82 1.01 -0.15 -1.05 121.20 126.61 1s3k s ILE 80 Ca -0.02 -0.76 -0.19 0.00 0.00 0.00 0.00 60.65 59.68 1s3k s ILE 80 Cb -0.07 -2.74 -0.07 0.00 0.01 0.00 0.00 42.46 39.59 1s3k s ILE 80 CO -0.00 0.19 1.63 0.77 0.00 0.00 0.00 174.94 177.53 1s3k h SER 81 N 8.13 0.35 -2.82 3.58 4.64 -1.13 -0.33 113.55 125.98 1s3k h SER 81 Ca -0.34 -0.18 -0.53 0.00 -0.47 0.00 0.00 61.79 60.27 1s3k h SER 81 Cb 1.13 -0.09 -0.40 0.00 -0.31 0.00 0.00 62.40 62.73 1s3k h SER 81 CO 0.59 0.44 -0.78 -0.55 -0.87 0.00 0.00 176.83 175.66 1s3k s SER 82 N -5.70 3.55 0.26 4.97 0.15 -1.25 -3.70 113.70 111.99 1s3k s SER 82 Ca -0.14 -1.30 -0.31 0.00 0.70 0.00 0.00 55.95 54.91 1s3k s SER 82 Cb 0.08 -0.38 -0.12 0.00 -1.71 0.00 0.00 66.02 63.89 1s3k s SER 82 CO 0.72 -0.44 1.53 -0.11 1.20 0.00 0.00 173.24 176.14 1s3k n LEU 83 N 5.23 3.77 -4.48 3.45 7.94 0.06 -4.65 117.00 128.32 1s3k n LEU 83 Ca -0.06 1.14 -0.27 0.00 -1.11 0.00 0.00 56.01 55.71 1s3k n LEU 83 Cb 0.42 -1.52 -0.11 0.00 0.53 0.00 0.00 43.42 42.75 1s3k n LEU 83 CO 0.05 -0.13 -0.48 -1.10 -1.11 0.00 0.00 177.39 174.62 1s3k s GLN 84 N -0.31 1.73 0.37 1.96 -0.21 -1.26 0.28 119.66 122.23 1s3k s GLN 84 Ca 0.67 -1.45 0.15 0.00 0.02 0.00 0.00 55.36 54.74 1s3k s GLN 84 Cb -0.57 -1.95 1.00 0.00 1.00 0.00 0.00 33.01 32.49 1s3k s GLN 84 CO 0.48 0.41 1.78 -1.35 -2.12 0.00 0.00 175.29 174.48 1s3k h PRO 85 N 3.00 0.47 0.00 2.91 0.11 -1.91 -0.71 132.00 135.88 1s3k h PRO 85 Ca -0.46 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.62 1s3k h PRO 85 Cb 1.21 -0.11 0.00 0.00 0.11 0.00 0.00 31.00 32.21 1s3k h PRO 85 CO 0.51 0.31 0.00 -0.85 -0.21 0.00 0.00 178.00 177.77 1s3k n GLU 86 N -4.67 0.36 0.00 1.05 0.00 -1.14 -3.22 120.64 113.02 1s3k n GLU 86 Ca 0.24 0.08 0.15 0.00 0.00 0.00 0.00 57.16 57.63 1s3k n GLU 86 Cb 0.78 -1.50 0.86 0.00 0.00 0.00 0.00 31.44 31.58 1s3k n GLU 86 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.13 176.88 1s3k n ASP 87 N -1.24 0.09 -4.68 -1.84 8.00 -0.27 -4.83 116.55 111.79 1s3k n ASP 87 Ca 0.11 -0.74 -0.43 0.00 0.71 0.00 0.00 54.79 54.44 1s3k n ASP 87 Cb 0.15 -0.09 -0.03 0.00 -0.02 0.00 0.00 41.12 41.13 1s3k n ASP 87 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1s3k n ILE 88 N -1.04 0.54 -1.21 0.53 0.13 -1.20 -4.85 119.36 112.27 1s3k n ILE 88 Ca 0.20 -0.10 0.00 0.00 -1.10 0.00 0.00 62.75 61.76 1s3k n ILE 88 Cb 0.17 -2.15 0.00 0.00 -0.84 0.00 0.00 39.64 36.82 1s3k n ILE 88 CO 0.00 0.00 0.00 0.00 2.80 0.00 0.00 176.55 179.35 1s3k n ALA 89 N 6.42 0.00 -2.95 1.51 0.00 -1.12 -4.76 120.51 119.61 1s3k n ALA 89 Ca 0.19 0.00 -0.33 0.00 0.00 0.00 0.00 53.44 53.30 1s3k n ALA 89 Cb 0.37 0.00 -0.13 0.00 0.00 0.00 0.00 19.45 19.70 1s3k n ALA 89 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 1s3k s THR 90 N -2.38 3.61 -0.08 0.00 2.01 -0.22 -0.88 115.64 117.69 1s3k s THR 90 Ca 0.00 -0.47 -0.02 0.00 0.31 0.00 0.00 61.69 61.52 1s3k s THR 90 Cb 0.00 -2.55 -0.03 0.00 0.01 0.00 0.00 72.50 69.93 1s3k s THR 90 CO 0.00 0.51 0.00 -0.31 -0.69 0.00 0.00 174.62 174.14 1s3k s TYR 91 N 0.23 3.16 0.02 4.92 1.51 0.11 -0.83 117.35 126.47 1s3k s TYR 91 Ca -0.05 0.19 0.04 0.00 -1.01 0.00 0.00 57.07 56.24 1s3k s TYR 91 Cb -0.14 -1.78 -0.02 0.00 -0.11 0.00 0.00 41.96 39.91 1s3k s TYR 91 CO 0.04 0.47 -0.13 0.71 -1.11 0.00 0.00 175.55 175.53 1s3k s TYR 92 N -0.90 1.14 0.20 2.71 1.51 -0.14 -0.09 117.35 121.79 1s3k s TYR 92 Ca 0.14 -0.29 0.04 0.00 -1.01 0.00 0.00 57.07 55.95 1s3k s TYR 92 Cb -0.11 -0.70 -0.03 0.00 -0.11 0.00 0.00 41.96 41.00 1s3k s TYR 92 CO 0.03 0.01 0.31 0.00 -1.11 0.00 0.00 175.55 174.78 1s3k s PHE 94 N -1.89 -0.30 -0.13 0.00 5.36 1.00 -0.48 117.98 121.54 1s3k s PHE 94 Ca 0.34 0.67 0.03 0.00 -0.96 0.00 0.00 56.93 57.01 1s3k s PHE 94 Cb -0.10 0.11 0.01 0.00 -0.34 0.00 0.00 43.02 42.70 1s3k s PHE 94 CO 0.28 -0.23 -0.22 -1.14 -1.46 0.00 0.00 175.22 172.45 1s3k s GLN 95 N -0.28 3.05 -0.04 10.12 -0.44 -0.31 -0.17 119.66 131.60 1s3k s GLN 95 Ca -0.04 -0.85 0.08 0.00 -2.50 0.00 0.00 55.36 52.06 1s3k s GLN 95 Cb -0.03 -2.43 0.22 0.00 -1.64 0.00 0.00 33.01 29.13 1s3k s GLN 95 CO 0.01 0.04 1.17 0.41 0.50 0.00 0.00 175.29 177.42 1s3k n GLY 96 N 3.93 3.26 0.14 2.59 0.00 -0.17 -2.66 105.19 112.28 1s3k n GLY 96 Ca -0.20 -0.41 -0.03 0.00 0.00 0.00 0.00 46.02 45.39 1s3k n GLY 96 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 1s3k h SER 97 N 0.99 0.10 -3.51 1.61 0.02 -1.85 -3.45 113.55 107.46 1s3k h SER 97 Ca 0.00 -0.06 -0.32 0.00 -0.84 0.00 0.00 61.79 60.57 1s3k h SER 97 Cb 0.76 -0.03 -0.34 0.00 0.14 0.00 0.00 62.40 62.94 1s3k h SER 97 CO 0.03 0.72 -0.74 -1.00 -1.14 0.00 0.00 176.83 174.70 1s3k s HIS 98 N -3.58 0.14 0.27 3.45 3.76 -1.26 -4.46 115.29 113.61 1s3k s HIS 98 Ca -0.02 0.08 -0.29 0.00 -0.15 0.00 0.00 55.06 54.68 1s3k s HIS 98 Cb 0.12 -0.31 -0.09 0.00 1.11 0.00 0.00 32.58 33.41 1s3k s HIS 98 CO 0.78 -0.11 1.01 0.08 -0.85 0.00 0.00 174.74 175.65 1s3k s VAL 99 N 1.06 3.83 0.24 -0.90 1.01 -1.26 -3.43 120.40 120.94 1s3k s VAL 99 Ca -0.09 1.80 -0.30 0.00 0.00 0.00 0.00 61.98 63.39 1s3k s VAL 99 Cb -0.13 -4.13 -0.09 0.00 0.00 0.00 0.00 36.38 32.03 1s3k s VAL 99 CO -0.02 0.40 1.11 -2.16 0.00 0.00 0.00 175.10 174.42 1s3k s PRO 100 N -1.41 4.61 0.21 2.72 0.04 -1.26 -4.99 135.00 134.92 1s3k s PRO 100 Ca 0.44 1.79 -0.31 0.00 0.04 0.00 0.00 61.00 62.96 1s3k s PRO 100 Cb -0.28 -3.22 -0.10 0.00 0.04 0.00 0.00 34.50 30.94 1s3k s PRO 100 CO 0.35 0.13 1.47 -0.06 0.04 0.00 0.00 177.00 178.93 1s3k s PHE 101 N -0.74 3.05 0.14 0.56 2.99 -1.22 -4.72 117.98 118.04 1s3k s PHE 101 Ca 0.47 0.91 0.08 0.00 0.00 0.00 0.00 56.93 58.39 1s3k s PHE 101 Cb -0.31 -3.84 -0.04 0.00 0.00 0.00 0.00 43.02 38.83 1s3k s PHE 101 CO 0.39 -2.85 -0.19 0.95 -0.00 0.00 0.00 175.22 173.52 1s3k s THR 102 N 0.40 1.74 0.18 0.64 -4.23 -1.09 -4.99 115.64 108.29 1s3k s THR 102 Ca 0.63 -1.77 0.07 0.00 -1.18 0.00 0.00 61.69 59.44 1s3k s THR 102 Cb -0.42 -1.72 -0.04 0.00 1.34 0.00 0.00 72.50 71.66 1s3k s THR 102 CO 0.39 -0.24 0.01 -0.36 -0.54 0.00 0.00 174.62 173.88 1s3k s PHE 103 N -1.75 2.86 0.93 3.99 0.08 -1.26 -1.16 117.98 121.66 1s3k s PHE 103 Ca 0.12 -0.13 -0.14 0.00 0.12 0.00 0.00 56.93 56.90 1s3k s PHE 103 Cb -0.07 -1.38 0.15 0.00 -0.57 0.00 0.00 43.02 41.15 1s3k s PHE 103 CO 0.05 0.52 1.18 0.20 -0.10 0.00 0.00 175.22 177.08 1s3k s GLY 104 N -2.99 1.62 0.14 4.36 0.00 0.36 -4.46 107.32 106.36 1s3k s GLY 104 Ca 0.28 -0.75 0.24 0.00 0.00 0.00 0.00 44.72 44.49 1s3k s GLY 104 CO 0.19 -0.12 1.74 0.61 0.00 0.00 0.00 173.10 175.51 1s3k n GLN 105 N -3.77 0.14 0.00 2.90 0.00 -1.25 -4.73 117.38 110.66 1s3k n GLN 105 Ca 0.09 0.23 0.00 0.00 0.00 0.00 0.00 57.00 57.33 1s3k n GLN 105 Cb 0.60 -1.71 0.00 0.00 0.00 0.00 0.00 30.24 29.13 1s3k n GLN 105 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 1s3k n GLY 106 N 0.76 1.41 2.95 2.61 0.00 -1.26 -5.03 105.19 106.63 1s3k n GLY 106 Ca 0.05 -1.65 -0.29 0.00 0.00 0.00 0.00 46.02 44.13 1s3k n GLY 106 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1s3k s THR 107 N -2.16 1.29 -0.17 2.61 2.01 0.87 -4.75 115.64 115.34 1s3k s THR 107 Ca 0.00 -0.56 -0.26 0.00 0.31 0.00 0.00 61.69 61.17 1s3k s THR 107 Cb 0.00 -1.32 -0.01 0.00 0.01 0.00 0.00 72.50 71.18 1s3k s THR 107 CO 0.00 0.31 0.88 -0.75 -0.69 0.00 0.00 174.62 174.38 1s3k s LYS 108 N 1.58 4.30 -0.22 4.92 2.20 -0.60 -0.71 119.74 131.22 1s3k s LYS 108 Ca 0.03 1.11 -0.04 0.00 -0.36 0.00 0.00 55.97 56.71 1s3k s LYS 108 Cb -0.14 -3.58 -0.01 0.00 -1.51 0.00 0.00 37.83 32.59 1s3k s LYS 108 CO -0.09 -0.37 -0.03 -1.17 -0.36 0.00 0.00 175.35 173.33 1s3k s LEU 109 N 2.29 2.95 0.36 5.43 0.20 -0.06 -0.88 118.68 128.98 1s3k s LEU 109 Ca 0.40 -0.36 0.08 0.00 0.69 0.00 0.00 54.13 54.94 1s3k s LEU 109 Cb -0.17 -1.76 -0.04 0.00 -0.43 0.00 0.00 46.19 43.80 1s3k s LEU 109 CO 0.12 -0.01 0.18 -1.10 -0.29 0.00 0.00 176.35 175.25 1s3k s GLN 110 N 1.43 2.36 -0.11 1.98 -1.52 -0.06 -2.78 119.66 120.97 1s3k s GLN 110 Ca 0.05 -1.60 -0.03 0.00 -1.95 0.00 0.00 55.36 51.83 1s3k s GLN 110 Cb -0.14 -2.16 -0.03 0.00 -0.22 0.00 0.00 33.01 30.45 1s3k s GLN 110 CO -0.02 0.03 0.01 0.42 -0.25 0.00 0.00 175.29 175.48 1s3k s ILE 111 N -2.46 4.36 -0.26 1.08 -1.09 -1.26 -2.37 121.20 119.19 1s3k s ILE 111 Ca 0.39 -0.22 -0.12 0.00 -2.23 0.00 0.00 60.65 58.47 1s3k s ILE 111 Cb -0.01 -2.86 -0.05 0.00 -1.58 0.00 0.00 42.46 37.96 1s3k s ILE 111 CO 0.23 0.57 0.26 -0.89 -1.23 0.00 0.00 174.94 173.88 1s3k s THR 112 N -0.58 5.27 0.40 2.92 2.01 0.61 -4.80 115.64 121.48 1s3k s THR 112 Ca 0.10 0.35 0.05 0.00 0.31 0.00 0.00 61.69 62.50 1s3k s THR 112 Cb -0.12 -3.59 -0.02 0.00 0.01 0.00 0.00 72.50 68.78 1s3k s THR 112 CO 0.02 0.25 0.19 0.00 -0.69 0.00 0.00 174.62 174.39 1s3k s ARG 113 N 1.60 1.93 0.53 4.92 1.70 -1.26 -4.25 118.95 124.13 1s3k s ARG 113 Ca 0.11 -2.18 -0.20 0.00 -0.47 0.00 0.00 55.73 52.99 1s3k s ARG 113 Cb -0.15 -0.28 -0.06 0.00 -0.57 0.00 0.00 34.95 33.88 1s3k s ARG 113 CO 0.09 -0.58 1.13 0.95 -1.08 0.00 0.00 175.30 175.81 1s3k s THR 114 N -3.24 3.19 0.45 4.99 -4.23 -1.26 -4.94 115.64 110.60 1s3k s THR 114 Ca 0.28 0.76 -0.24 0.00 -1.18 0.00 0.00 61.69 61.31 1s3k s THR 114 Cb 0.01 -3.32 -0.09 0.00 1.34 0.00 0.00 72.50 70.45 1s3k s THR 114 CO 0.19 -0.14 1.10 0.55 -0.54 0.00 0.00 174.62 175.78 1s3k n VAL 115 N -1.19 2.69 -3.70 2.29 3.14 -1.26 -4.77 118.33 115.53 1s3k n VAL 115 Ca 0.11 -0.50 -0.12 0.00 -2.96 0.00 0.00 64.34 60.87 1s3k n VAL 115 Cb 0.51 -1.31 -0.13 0.00 -1.06 0.00 0.00 33.84 31.85 1s3k n VAL 115 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 1s3k s ALA 116 N -1.28 -0.64 0.36 1.55 0.00 0.53 -4.91 121.76 117.37 1s3k s ALA 116 Ca 0.64 1.05 -0.25 0.00 0.00 0.00 0.00 51.96 53.41 1s3k s ALA 116 Cb -0.52 -0.85 -0.10 0.00 0.00 0.00 0.00 23.12 21.65 1s3k s ALA 116 CO 0.56 -0.41 0.96 0.00 0.00 0.00 0.00 175.76 176.87 1s3k s ALA 117 N 1.80 3.15 0.46 0.00 0.00 -1.26 -0.84 121.76 125.08 1s3k s ALA 117 Ca -0.05 0.51 -0.20 0.00 0.00 0.00 0.00 51.96 52.23 1s3k s ALA 117 Cb -0.11 -3.18 -0.10 0.00 0.00 0.00 0.00 23.12 19.73 1s3k s ALA 117 CO -0.09 0.12 0.98 -1.25 0.00 0.00 0.00 175.76 175.52 1s3k s PRO 118 N -2.39 4.07 -0.08 0.00 0.04 -1.26 -4.63 135.00 130.74 1s3k s PRO 118 Ca 0.54 1.12 -0.16 0.00 0.04 0.00 0.00 61.00 62.54 1s3k s PRO 118 Cb -0.16 -2.15 -0.05 0.00 0.04 0.00 0.00 34.50 32.18 1s3k s PRO 118 CO 0.21 -0.18 0.41 -1.12 0.04 0.00 0.00 177.00 176.37 1s3k s SER 119 N -2.38 6.68 -0.09 6.66 0.01 -0.75 -4.82 113.70 119.00 1s3k s SER 119 Ca 0.62 0.80 -0.00 0.00 1.31 0.00 0.00 55.95 58.68 1s3k s SER 119 Cb -0.11 -2.25 -0.03 0.00 0.21 0.00 0.00 66.02 63.85 1s3k s SER 119 CO 0.19 0.14 -0.05 -0.69 0.41 0.00 0.00 173.24 173.24 1s3k s VAL 120 N -0.03 3.80 0.04 3.43 1.01 -1.26 -0.31 120.40 127.08 1s3k s VAL 120 Ca 0.23 -0.43 0.03 0.00 0.00 0.00 0.00 61.98 61.81 1s3k s VAL 120 Cb -0.15 -2.58 -0.02 0.00 0.00 0.00 0.00 36.38 33.62 1s3k s VAL 120 CO 0.10 0.58 -0.09 -0.36 0.00 0.00 0.00 175.10 175.33 1s3k s PHE 121 N -0.54 0.77 -0.00 5.22 0.08 -0.25 -4.98 117.98 118.28 1s3k s PHE 121 Ca 0.08 -0.43 0.05 0.00 0.12 0.00 0.00 56.93 56.75 1s3k s PHE 121 Cb -0.12 -0.46 -0.01 0.00 -0.57 0.00 0.00 43.02 41.86 1s3k s PHE 121 CO 0.02 -0.04 -0.15 -1.50 -0.10 0.00 0.00 175.22 173.44 1s3k s ILE 122 N -1.16 1.21 -0.10 0.64 2.07 -1.26 -0.40 121.20 122.20 1s3k s ILE 122 Ca -0.06 -0.72 0.02 0.00 -1.41 0.00 0.00 60.65 58.47 1s3k s ILE 122 Cb -0.09 -1.02 0.01 0.00 0.13 0.00 0.00 42.46 41.49 1s3k s ILE 122 CO 0.01 0.29 -0.14 -0.36 -1.91 0.00 0.00 174.94 172.82 1s3k s PHE 123 N -0.44 1.81 0.68 3.50 0.08 0.22 -4.99 117.98 118.84 1s3k s PHE 123 Ca 0.05 -0.81 -0.11 0.00 0.12 0.00 0.00 56.93 56.19 1s3k s PHE 123 Cb -0.06 -1.32 0.00 0.00 -0.57 0.00 0.00 43.02 41.07 1s3k s PHE 123 CO -0.00 -0.42 1.07 -1.25 -0.10 0.00 0.00 175.22 174.51 1s3k s PRO 124 N 0.93 3.01 0.54 0.24 0.04 -1.26 -1.56 135.00 136.94 1s3k s PRO 124 Ca -0.08 0.48 -0.22 0.00 0.04 0.00 0.00 61.00 61.22 1s3k s PRO 124 Cb -0.15 -2.05 -0.05 0.00 0.04 0.00 0.00 34.50 32.28 1s3k s PRO 124 CO -0.00 -0.91 1.31 -2.14 0.04 0.00 0.00 177.00 175.29 1s3k s PRO 125 N -5.29 3.21 0.59 0.56 0.02 -1.22 -4.84 135.00 128.03 1s3k s PRO 125 Ca 0.57 2.11 -0.15 0.00 0.02 0.00 0.00 61.00 63.55 1s3k s PRO 125 Cb -0.11 -2.24 -0.04 0.00 0.02 0.00 0.00 34.50 32.13 1s3k s PRO 125 CO 0.52 -1.10 1.04 -1.54 -0.33 0.00 0.00 177.00 175.59 1s3k s SER 126 N -1.10 5.90 0.29 2.53 1.04 -1.26 -4.95 113.70 116.15 1s3k s SER 126 Ca 0.71 1.73 -0.00 0.00 0.48 0.00 0.00 55.95 58.87 1s3k s SER 126 Cb -0.37 -2.52 0.44 0.00 0.10 0.00 0.00 66.02 63.67 1s3k s SER 126 CO 0.44 -1.09 1.84 0.44 0.98 0.00 0.00 173.24 175.85 1s3k h ASP 127 N 0.33 0.71 0.53 7.02 3.32 -2.01 -2.64 116.42 123.68 1s3k h ASP 127 Ca -0.46 -0.13 -0.10 0.00 0.02 0.00 0.00 57.03 56.36 1s3k h ASP 127 Cb 1.21 -0.19 -0.01 0.00 0.22 0.00 0.00 39.33 40.56 1s3k h ASP 127 CO 0.58 0.72 -0.50 1.05 -1.72 0.00 0.00 179.24 179.37 1s3k h GLU 128 N 0.73 0.00 -0.03 3.56 9.09 -2.00 -3.05 114.58 122.89 1s3k h GLU 128 Ca 0.16 0.00 -0.21 0.00 0.05 0.00 0.00 59.36 59.36 1s3k h GLU 128 Cb 0.30 0.00 -0.00 0.00 -1.65 0.00 0.00 28.75 27.40 1s3k h GLU 128 CO 0.00 0.50 -0.86 0.37 0.05 0.00 0.00 179.01 179.06 1s3k h GLN 129 N 0.00 0.40 -0.59 1.06 4.15 -1.80 -3.26 115.11 115.07 1s3k h GLN 129 Ca -0.00 -0.39 0.03 0.00 0.77 0.00 0.00 58.65 59.05 1s3k h GLN 129 Cb 0.90 0.10 -0.04 0.00 0.21 0.00 0.00 27.48 28.65 1s3k h GLN 129 CO 0.06 1.05 0.36 -0.07 -1.93 0.00 0.00 178.83 178.31 1s3k h LEU 130 N 0.24 0.59 0.00 -2.39 3.38 -1.37 0.59 115.31 116.36 1s3k h LEU 130 Ca -0.06 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.91 1s3k h LEU 130 Cb 1.48 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 42.10 1s3k h LEU 130 CO 0.15 0.42 0.00 0.29 0.09 0.00 0.00 178.44 179.38 1s3k n LYS 131 N -4.74 0.20 0.01 1.13 5.02 -1.18 -0.64 118.16 117.96 1s3k n LYS 131 Ca 0.05 0.08 0.11 0.00 -2.02 0.00 0.00 58.31 56.54 1s3k n LYS 131 Cb 0.08 -1.50 0.08 0.00 -0.02 0.00 0.00 35.03 33.67 1s3k n LYS 131 CO 0.00 0.00 0.00 0.43 -0.52 0.00 0.00 177.40 177.31 1s3k n SER 132 N -1.11 0.68 0.00 4.39 7.64 0.20 -4.96 113.62 120.45 1s3k n SER 132 Ca 0.05 -0.46 0.00 0.00 1.01 0.00 0.00 58.87 59.47 1s3k n SER 132 Cb 0.04 0.61 0.00 0.00 -1.01 0.00 0.00 64.21 63.85 1s3k n SER 132 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1s3k n GLY 133 N 1.47 0.88 3.07 0.23 0.00 0.18 -5.07 105.19 105.95 1s3k n GLY 133 Ca 0.04 -0.02 -0.11 0.00 0.00 0.00 0.00 46.02 45.94 1s3k n GLY 133 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1s3k s THR 134 N -2.00 0.09 -0.09 2.61 2.01 -1.24 -2.76 115.64 114.26 1s3k s THR 134 Ca 0.00 -0.72 0.02 0.00 0.31 0.00 0.00 61.69 61.30 1s3k s THR 134 Cb 0.00 -0.37 0.02 0.00 0.01 0.00 0.00 72.50 72.15 1s3k s THR 134 CO 0.00 -0.40 -0.12 0.00 -0.69 0.00 0.00 174.62 173.42 1s3k s ALA 135 N -1.34 1.36 -0.19 7.40 0.00 0.75 -3.62 121.76 126.13 1s3k s ALA 135 Ca -0.14 -0.51 -0.01 0.00 0.00 0.00 0.00 51.96 51.29 1s3k s ALA 135 Cb -0.08 -0.70 0.00 0.00 0.00 0.00 0.00 23.12 22.34 1s3k s ALA 135 CO 0.01 -0.05 -0.11 -1.12 0.00 0.00 0.00 175.76 174.49 1s3k s SER 136 N 0.97 3.83 -0.18 0.00 0.01 -1.26 -0.90 113.70 116.17 1s3k s SER 136 Ca -0.08 -0.48 -0.05 0.00 1.31 0.00 0.00 55.95 56.65 1s3k s SER 136 Cb -0.15 -1.62 -0.03 0.00 0.21 0.00 0.00 66.02 64.43 1s3k s SER 136 CO -0.00 0.02 -0.01 -0.69 0.41 0.00 0.00 173.24 172.97 1s3k s VAL 137 N 1.22 4.03 -0.05 3.43 1.01 0.10 -3.46 120.40 126.69 1s3k s VAL 137 Ca 0.02 -0.30 0.03 0.00 0.00 0.00 0.00 61.98 61.73 1s3k s VAL 137 Cb -0.14 -2.80 -0.03 0.00 0.00 0.00 0.00 36.38 33.41 1s3k s VAL 137 CO -0.05 0.46 -0.11 -0.69 0.00 0.00 0.00 175.10 174.71 1s3k s VAL 138 N 0.68 3.37 -0.12 2.92 1.01 -0.60 0.19 120.40 127.84 1s3k s VAL 138 Ca -0.01 -0.66 0.02 0.00 0.00 0.00 0.00 61.98 61.34 1s3k s VAL 138 Cb -0.14 -2.37 0.01 0.00 0.00 0.00 0.00 36.38 33.89 1s3k s VAL 138 CO 0.02 0.56 -0.18 0.00 0.00 0.00 0.00 175.10 175.50 1s3k s LEU 140 N 0.86 2.81 -0.32 0.00 2.96 0.46 -0.72 118.68 124.73 1s3k s LEU 140 Ca -0.08 -0.30 -0.05 0.00 -0.22 0.00 0.00 54.13 53.48 1s3k s LEU 140 Cb -0.15 -1.65 0.04 0.00 0.50 0.00 0.00 46.19 44.93 1s3k s LEU 140 CO -0.01 0.16 0.07 -0.76 -1.32 0.00 0.00 176.35 174.49 1s3k s LEU 141 N 0.40 4.10 -0.16 -0.68 1.02 0.52 -1.09 118.68 122.80 1s3k s LEU 141 Ca -0.09 -1.09 -0.06 0.00 0.02 0.00 0.00 54.13 52.91 1s3k s LEU 141 Cb -0.16 -1.83 -0.04 0.00 0.02 0.00 0.00 46.19 44.19 1s3k s LEU 141 CO 0.05 -0.28 0.05 0.21 0.02 0.00 0.00 176.35 176.39 1s3k s ASN 142 N 1.38 5.57 -0.67 2.29 3.04 0.58 -0.18 114.94 126.95 1s3k s ASN 142 Ca -0.02 0.11 -0.11 0.00 0.04 0.00 0.00 52.86 52.88 1s3k s ASN 142 Cb -0.19 -1.87 0.02 0.00 -1.54 0.00 0.00 41.25 37.66 1s3k s ASN 142 CO 0.02 0.23 0.64 0.59 -3.04 0.00 0.00 177.10 175.54 1s3k n ASN 143 N 3.13 -6.02 -4.43 -4.21 3.02 -0.85 -1.81 115.26 104.08 1s3k n ASN 143 Ca -0.17 -0.40 -0.24 0.00 -0.03 0.00 0.00 54.58 53.74 1s3k n ASN 143 Cb 0.53 -2.91 -0.10 0.00 -0.61 0.00 0.00 39.78 36.68 1s3k n ASN 143 CO 0.00 0.00 0.00 0.72 -2.62 0.00 0.00 177.26 175.36 1s3k s PHE 144 N -2.58 1.99 -0.28 3.10 -0.71 0.59 -4.49 117.98 115.60 1s3k s PHE 144 Ca 0.12 -0.98 -0.23 0.00 -1.04 0.00 0.00 56.93 54.80 1s3k s PHE 144 Cb -0.02 -1.34 0.11 0.00 -1.21 0.00 0.00 43.02 40.56 1s3k s PHE 144 CO 0.85 0.02 0.94 -0.47 -1.34 0.00 0.00 175.22 175.21 1s3k s TYR 145 N -3.19 -0.59 1.19 3.49 5.04 -0.02 -0.75 117.35 122.51 1s3k s TYR 145 Ca 0.32 1.38 -0.20 0.00 -2.44 0.00 0.00 57.07 56.13 1s3k s TYR 145 Cb 0.07 0.36 0.29 0.00 0.35 0.00 0.00 41.96 43.04 1s3k s TYR 145 CO 0.15 -0.29 1.06 -0.35 -1.34 0.00 0.00 175.55 174.78 1s3k n PRO 146 N 2.67 -3.07 0.05 4.97 -0.04 -1.26 -0.35 135.00 137.98 1s3k n PRO 146 Ca -0.14 -1.69 0.03 0.00 -0.04 0.00 0.00 63.50 61.66 1s3k n PRO 146 Cb 0.56 -1.58 0.39 0.00 -0.04 0.00 0.00 33.50 32.83 1s3k n PRO 146 CO 0.00 0.00 0.00 -0.09 -0.04 0.00 0.00 175.50 175.37 1s3k h ARG 147 N 0.00 0.41 -6.61 0.54 2.43 -1.99 -3.44 114.38 105.73 1s3k h ARG 147 Ca -0.40 -0.06 -0.52 0.00 -0.81 0.00 0.00 59.98 58.19 1s3k h ARG 147 Cb 1.21 -0.07 0.05 0.00 -0.42 0.00 0.00 29.97 30.74 1s3k h ARG 147 CO 0.26 0.40 0.98 -1.21 -1.51 0.00 0.00 179.97 178.89 1s3k s GLU 148 N -5.10 4.16 0.07 0.20 8.01 -1.26 -5.00 118.70 119.78 1s3k s GLU 148 Ca -0.07 2.51 -0.17 0.00 0.01 0.00 0.00 54.97 57.24 1s3k s GLU 148 Cb 0.16 -3.21 0.03 0.00 -4.31 0.00 0.00 34.13 26.81 1s3k s GLU 148 CO 0.74 -0.72 0.40 0.00 0.01 0.00 0.00 175.26 175.69 1s3k s ALA 149 N 1.48 -0.96 -0.12 5.21 0.00 -1.26 -4.63 121.76 121.49 1s3k s ALA 149 Ca 0.74 0.18 0.01 0.00 0.00 0.00 0.00 51.96 52.90 1s3k s ALA 149 Cb -0.47 0.44 0.02 0.00 0.00 0.00 0.00 23.12 23.11 1s3k s ALA 149 CO 0.32 -0.50 -0.15 0.21 0.00 0.00 0.00 175.76 175.64 1s3k s LYS 150 N -2.85 2.30 -0.09 0.00 2.47 -0.18 -5.00 119.74 116.40 1s3k s LYS 150 Ca -0.03 -0.58 0.04 0.00 -1.56 0.00 0.00 55.97 53.84 1s3k s LYS 150 Cb -0.00 -2.00 0.00 0.00 -1.46 0.00 0.00 37.83 34.38 1s3k s LYS 150 CO -0.05 -0.11 -0.21 0.08 0.16 0.00 0.00 175.35 175.21 1s3k s VAL 151 N 1.14 1.82 -0.05 4.02 1.01 -1.26 -0.62 120.40 126.45 1s3k s VAL 151 Ca -0.03 -0.89 0.02 0.00 0.00 0.00 0.00 61.98 61.08 1s3k s VAL 151 Cb -0.14 -1.58 0.02 0.00 0.00 0.00 0.00 36.38 34.67 1s3k s VAL 151 CO -0.05 0.51 -0.07 -1.10 0.00 0.00 0.00 175.10 174.39 1s3k s GLN 152 N 0.35 1.13 0.15 2.72 -0.21 -0.41 -4.95 119.66 118.43 1s3k s GLN 152 Ca -0.16 -0.22 -0.06 0.00 0.02 0.00 0.00 55.36 54.94 1s3k s GLN 152 Cb -0.17 -1.02 -0.06 0.00 1.00 0.00 0.00 33.01 32.76 1s3k s GLN 152 CO 0.07 -0.03 0.39 -1.58 -2.12 0.00 0.00 175.29 172.03 1s3k s TRP 153 N 0.75 3.48 -0.05 0.91 0.52 -1.26 0.41 118.94 123.69 1s3k s TRP 153 Ca -0.12 0.60 -0.02 0.00 0.02 0.00 0.00 56.10 56.58 1s3k s TRP 153 Cb -0.14 -2.04 0.04 0.00 -1.15 0.00 0.00 33.47 30.17 1s3k s TRP 153 CO 0.02 0.42 0.10 0.15 0.02 0.00 0.00 176.95 177.66 1s3k s LYS 154 N -2.62 -0.00 -0.21 4.98 -0.14 0.25 -1.34 119.74 120.65 1s3k s LYS 154 Ca 0.41 0.39 -0.04 0.00 -1.36 0.00 0.00 55.97 55.38 1s3k s LYS 154 Cb -0.12 -0.31 -0.01 0.00 -1.68 0.00 0.00 37.83 35.71 1s3k s LYS 154 CO 0.24 -0.25 -0.05 0.08 -0.76 0.00 0.00 175.35 174.60 1s3k s VAL 155 N 1.76 3.34 -1.64 3.17 1.01 -0.37 -1.62 120.40 126.04 1s3k s VAL 155 Ca -0.02 -0.51 -0.17 0.00 0.00 0.00 0.00 61.98 61.28 1s3k s VAL 155 Cb -0.12 -2.51 0.13 0.00 0.00 0.00 0.00 36.38 33.88 1s3k s VAL 155 CO -0.04 0.43 0.87 0.47 0.00 0.00 0.00 175.10 176.83 1s3k n ASP 156 N 4.68 -3.95 0.00 3.32 8.00 0.66 0.53 116.55 129.79 1s3k n ASP 156 Ca -0.18 -0.92 0.00 0.00 0.71 0.00 0.00 54.79 54.40 1s3k n ASP 156 Cb 0.51 -3.20 0.00 0.00 -0.02 0.00 0.00 41.12 38.41 1s3k n ASP 156 CO 0.00 0.00 0.00 -3.20 -0.39 0.00 0.00 177.20 173.61 1s3k n ASN 157 N -2.72 -1.49 -4.70 -2.24 2.85 -1.26 -5.00 115.26 100.69 1s3k n ASN 157 Ca 0.07 0.00 -0.39 0.00 -0.11 0.00 0.00 54.58 54.15 1s3k n ASN 157 Cb 0.50 -1.11 -0.05 0.00 1.24 0.00 0.00 39.78 40.36 1s3k n ASN 157 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 1s3k s ALA 158 N -2.48 3.43 0.10 5.20 0.00 0.19 -5.00 121.76 123.19 1s3k s ALA 158 Ca 0.00 -0.06 -0.31 0.00 0.00 0.00 0.00 51.96 51.59 1s3k s ALA 158 Cb 0.00 -2.87 -0.08 0.00 0.00 0.00 0.00 23.12 20.17 1s3k s ALA 158 CO 0.00 -0.18 1.49 -1.17 0.00 0.00 0.00 175.76 175.90 1s3k s LEU 159 N 1.02 4.36 0.17 0.00 2.96 -1.26 -1.24 118.68 124.69 1s3k s LEU 159 Ca 0.32 2.39 -0.00 0.00 -0.22 0.00 0.00 54.13 56.62 1s3k s LEU 159 Cb -0.16 -3.58 -0.04 0.00 0.50 0.00 0.00 46.19 42.91 1s3k s LEU 159 CO 0.14 -0.75 0.34 -1.10 -1.32 0.00 0.00 176.35 173.66 1s3k s GLN 160 N 1.65 3.50 -0.28 1.98 -1.52 -0.45 -4.95 119.66 119.58 1s3k s GLN 160 Ca 0.68 -0.40 -0.23 0.00 -1.95 0.00 0.00 55.36 53.45 1s3k s GLN 160 Cb -0.38 -2.89 0.11 0.00 -0.22 0.00 0.00 33.01 29.63 1s3k s GLN 160 CO 0.30 0.46 0.94 -1.54 -0.25 0.00 0.00 175.29 175.20 1s3k s SER 161 N -3.06 -0.55 0.00 5.90 1.04 -1.26 -4.60 113.70 111.17 1s3k s SER 161 Ca 0.37 1.02 0.00 0.00 0.48 0.00 0.00 55.95 57.83 1s3k s SER 161 Cb -0.11 1.07 0.00 0.00 0.10 0.00 0.00 66.02 67.08 1s3k s SER 161 CO 0.28 -0.17 0.00 0.61 0.98 0.00 0.00 173.24 174.94 1s3k n GLY 162 N 2.63 2.08 1.03 7.32 0.00 -1.26 -4.87 105.19 112.12 1s3k n GLY 162 Ca -0.14 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.89 1s3k n GLY 162 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1s3k n ASN 163 N 0.00 2.96 -4.03 1.61 0.23 -1.26 -5.01 115.26 109.76 1s3k n ASN 163 Ca 0.00 -3.48 -0.09 0.00 -0.53 0.00 0.00 54.58 50.48 1s3k n ASN 163 Cb 0.00 -0.60 -0.11 0.00 -2.08 0.00 0.00 39.78 36.99 1s3k n ASN 163 CO 0.00 0.00 0.00 -0.94 -0.93 0.00 0.00 177.26 175.39 1s3k s SER 164 N -2.34 0.41 0.04 0.53 1.04 -1.26 -0.99 113.70 111.14 1s3k s SER 164 Ca 0.43 -0.67 0.02 0.00 0.48 0.00 0.00 55.95 56.21 1s3k s SER 164 Cb 0.38 0.12 -0.02 0.00 0.10 0.00 0.00 66.02 66.60 1s3k s SER 164 CO 0.03 -0.38 -0.07 -1.10 0.98 0.00 0.00 173.24 172.70 1s3k s GLN 165 N -2.27 0.47 0.14 4.02 -0.21 -0.73 -4.95 119.66 116.14 1s3k s GLN 165 Ca -0.08 -0.72 0.06 0.00 0.02 0.00 0.00 55.36 54.64 1s3k s GLN 165 Cb -0.04 -0.19 -0.04 0.00 1.00 0.00 0.00 33.01 33.74 1s3k s GLN 165 CO -0.04 0.02 -0.13 -1.83 -2.12 0.00 0.00 175.29 171.20 1s3k s GLU 166 N -1.55 1.09 0.02 2.91 -1.05 -1.26 -0.63 118.70 118.23 1s3k s GLU 166 Ca -0.12 -1.36 0.01 0.00 -0.15 0.00 0.00 54.97 53.36 1s3k s GLU 166 Cb -0.10 -0.89 -0.01 0.00 -0.44 0.00 0.00 34.13 32.69 1s3k s GLU 166 CO 0.00 0.16 -0.04 0.45 0.95 0.00 0.00 175.26 176.77 1s3k s SER 167 N -2.78 0.45 -0.06 0.83 0.15 -0.24 -4.98 113.70 107.07 1s3k s SER 167 Ca 0.13 -0.29 0.04 0.00 0.70 0.00 0.00 55.95 56.53 1s3k s SER 167 Cb -0.02 0.02 0.00 0.00 -1.71 0.00 0.00 66.02 64.30 1s3k s SER 167 CO 0.03 -0.11 -0.17 -0.69 1.20 0.00 0.00 173.24 173.50 1s3k s VAL 168 N -0.75 1.47 0.88 4.45 1.01 -1.26 -0.98 120.40 125.22 1s3k s VAL 168 Ca -0.06 -0.71 -0.11 0.00 0.00 0.00 0.00 61.98 61.10 1s3k s VAL 168 Cb -0.06 -1.28 0.12 0.00 0.00 0.00 0.00 36.38 35.16 1s3k s VAL 168 CO -0.00 0.42 1.09 0.42 0.00 0.00 0.00 175.10 177.04 1s3k s THR 169 N 0.28 2.72 0.62 3.92 -4.23 -0.57 -4.99 115.64 113.39 1s3k s THR 169 Ca -0.10 0.23 -0.15 0.00 -1.18 0.00 0.00 61.69 60.50 1s3k s THR 169 Cb -0.14 -2.72 -0.02 0.00 1.34 0.00 0.00 72.50 70.96 1s3k s THR 169 CO 0.04 -0.31 1.07 -1.61 -0.54 0.00 0.00 174.62 173.27 1s3k s GLU 170 N -4.93 3.14 0.23 3.99 0.41 -1.26 -4.67 118.70 115.61 1s3k s GLU 170 Ca 0.63 1.22 -0.31 0.00 -0.41 0.00 0.00 54.97 56.10 1s3k s GLU 170 Cb -0.18 -2.01 -0.12 0.00 -1.78 0.00 0.00 34.13 30.05 1s3k s GLU 170 CO 0.57 -0.96 1.69 0.94 -0.49 0.00 0.00 175.26 177.00 1s3k n GLN 171 N -2.27 2.76 -1.73 1.61 7.27 -1.26 -4.82 117.38 118.93 1s3k n GLN 171 Ca 0.09 0.99 -0.42 0.00 0.07 0.00 0.00 57.00 57.73 1s3k n GLN 171 Cb 0.53 -2.82 -0.02 0.00 2.41 0.00 0.00 30.24 30.34 1s3k n GLN 171 CO 0.00 0.00 0.00 -3.47 0.07 0.00 0.00 177.06 173.66 1s3k n ASP 172 N 3.41 3.73 0.08 1.69 -0.08 0.34 -4.89 116.55 120.83 1s3k n ASP 172 Ca 0.14 1.14 0.11 0.00 -1.51 0.00 0.00 54.79 54.66 1s3k n ASP 172 Cb 0.35 -1.57 0.43 0.00 2.34 0.00 0.00 41.12 42.68 1s3k n ASP 172 CO 0.00 0.00 0.00 -1.20 0.12 0.00 0.00 177.20 176.12 1s3k n SER 173 N 2.34 0.44 -0.07 1.67 7.64 -1.26 -1.71 113.62 122.67 1s3k n SER 173 Ca 0.10 0.60 -0.14 0.00 1.01 0.00 0.00 58.87 60.43 1s3k n SER 173 Cb 0.36 -0.70 -0.05 0.00 -1.01 0.00 0.00 64.21 62.81 1s3k n SER 173 CO 0.00 0.00 0.00 0.29 -3.01 0.00 0.00 175.04 172.32 1s3k n LYS 174 N -1.98 0.30 -0.06 1.43 5.02 -1.26 -2.87 118.16 118.74 1s3k n LYS 174 Ca 0.03 0.13 0.10 0.00 -2.02 0.00 0.00 58.31 56.55 1s3k n LYS 174 Cb 0.23 -1.01 0.12 0.00 -0.02 0.00 0.00 35.03 34.35 1s3k n LYS 174 CO 0.00 0.00 0.00 -0.40 -0.52 0.00 0.00 177.40 176.48 1s3k n ASP 175 N -3.67 2.86 -2.31 4.39 3.85 -1.26 -4.90 116.55 115.51 1s3k n ASP 175 Ca -0.26 -1.87 -0.17 0.00 -0.71 0.00 0.00 54.79 51.78 1s3k n ASP 175 Cb 0.66 -0.08 -0.02 0.00 -1.35 0.00 0.00 41.12 40.33 1s3k n ASP 175 CO 0.00 0.00 0.00 -1.20 -1.01 0.00 0.00 177.20 174.99 1s3k n SER 176 N 1.16 -5.05 -4.95 -1.12 7.64 -0.69 -4.96 113.62 105.65 1s3k n SER 176 Ca 0.13 0.11 -0.22 0.00 1.01 0.00 0.00 58.87 59.91 1s3k n SER 176 Cb 0.51 -4.27 0.01 0.00 -1.01 0.00 0.00 64.21 59.46 1s3k n SER 176 CO 0.00 0.00 0.00 0.42 -3.01 0.00 0.00 175.04 172.45 1s3k s THR 177 N -2.83 2.19 0.23 0.44 -4.23 -1.26 -4.68 115.64 105.50 1s3k s THR 177 Ca 0.00 -1.25 0.09 0.00 -1.18 0.00 0.00 61.69 59.35 1s3k s THR 177 Cb 0.00 -2.44 -0.05 0.00 1.34 0.00 0.00 72.50 71.35 1s3k s THR 177 CO 0.00 0.00 -0.17 -0.31 -0.54 0.00 0.00 174.62 173.60 1s3k s TYR 178 N -2.62 1.94 0.06 3.99 2.02 0.07 -0.50 117.35 122.30 1s3k s TYR 178 Ca 0.48 -0.47 0.04 0.00 -0.37 0.00 0.00 57.07 56.75 1s3k s TYR 178 Cb -0.04 -0.88 -0.03 0.00 -0.40 0.00 0.00 41.96 40.61 1s3k s TYR 178 CO 0.30 0.49 -0.11 -1.12 -1.57 0.00 0.00 175.55 173.53 1s3k s SER 179 N -3.32 1.32 0.02 2.29 0.01 -1.26 -0.30 113.70 112.46 1s3k s SER 179 Ca 0.25 -0.56 0.02 0.00 1.31 0.00 0.00 55.95 56.96 1s3k s SER 179 Cb -0.03 -0.02 -0.01 0.00 0.21 0.00 0.00 66.02 66.17 1s3k s SER 179 CO 0.10 -0.11 -0.06 -0.22 0.41 0.00 0.00 173.24 173.35 1s3k s LEU 180 N -1.58 2.15 -0.02 2.44 0.20 0.75 -1.52 118.68 121.10 1s3k s LEU 180 Ca -0.05 -0.34 0.06 0.00 0.69 0.00 0.00 54.13 54.49 1s3k s LEU 180 Cb -0.10 -0.17 -0.01 0.00 -0.43 0.00 0.00 46.19 45.48 1s3k s LEU 180 CO 0.01 -0.10 -0.21 -0.94 -0.29 0.00 0.00 176.35 174.82 1s3k s SER 181 N -0.93 2.45 -0.07 3.68 1.04 -0.15 -0.35 113.70 119.37 1s3k s SER 181 Ca -0.05 -0.38 0.03 0.00 0.48 0.00 0.00 55.95 56.02 1s3k s SER 181 Cb -0.06 -0.33 0.01 0.00 0.10 0.00 0.00 66.02 65.74 1s3k s SER 181 CO 0.00 0.25 -0.16 -0.55 0.98 0.00 0.00 173.24 173.76 1s3k s SER 182 N -0.43 2.13 -0.17 7.02 0.15 0.10 -1.08 113.70 121.41 1s3k s SER 182 Ca 0.06 -0.37 0.01 0.00 0.70 0.00 0.00 55.95 56.36 1s3k s SER 182 Cb -0.09 -0.94 0.02 0.00 -1.71 0.00 0.00 66.02 63.30 1s3k s SER 182 CO -0.00 0.08 -0.20 -0.89 1.20 0.00 0.00 173.24 173.42 1s3k s THR 183 N 0.52 2.11 -0.25 6.45 2.01 0.20 -0.67 115.64 126.00 1s3k s THR 183 Ca -0.14 -0.93 -0.13 0.00 0.31 0.00 0.00 61.69 60.79 1s3k s THR 183 Cb -0.16 -1.87 -0.04 0.00 0.01 0.00 0.00 72.50 70.43 1s3k s THR 183 CO 0.05 0.54 0.27 -0.22 -0.69 0.00 0.00 174.62 174.57 1s3k s LEU 184 N 1.16 4.08 -0.20 4.42 2.96 0.13 -1.77 118.68 129.46 1s3k s LEU 184 Ca 0.02 0.21 -0.03 0.00 -0.22 0.00 0.00 54.13 54.11 1s3k s LEU 184 Cb -0.14 -2.28 -0.01 0.00 0.50 0.00 0.00 46.19 44.27 1s3k s LEU 184 CO -0.10 -0.06 -0.06 -0.89 -1.32 0.00 0.00 176.35 173.92 1s3k s THR 185 N 1.54 3.29 0.23 3.68 2.01 -0.16 0.01 115.64 126.24 1s3k s THR 185 Ca 0.12 -0.53 0.02 0.00 0.31 0.00 0.00 61.69 61.60 1s3k s THR 185 Cb -0.15 -2.47 -0.05 0.00 0.01 0.00 0.00 72.50 69.84 1s3k s THR 185 CO 0.08 0.45 0.05 -0.76 -0.69 0.00 0.00 174.62 173.75 1s3k s LEU 186 N 1.27 1.85 0.65 4.42 1.43 -0.08 -4.86 118.68 123.36 1s3k s LEU 186 Ca 0.03 -1.30 -0.10 0.00 -1.03 0.00 0.00 54.13 51.74 1s3k s LEU 186 Cb -0.14 -0.03 -0.00 0.00 0.03 0.00 0.00 46.19 46.05 1s3k s LEU 186 CO -0.02 -0.66 1.03 -0.94 0.23 0.00 0.00 176.35 175.99 1s3k s SER 187 N -3.26 5.71 0.22 2.29 1.04 -1.26 -0.18 113.70 118.26 1s3k s SER 187 Ca 0.32 1.12 -0.08 0.00 0.48 0.00 0.00 55.95 57.78 1s3k s SER 187 Cb 0.07 -2.04 0.24 0.00 0.10 0.00 0.00 66.02 64.39 1s3k s SER 187 CO 0.10 -1.13 1.86 0.50 0.98 0.00 0.00 173.24 175.54 1s3k h LYS 188 N -0.44 0.92 0.68 4.02 3.64 -1.80 -1.59 116.57 121.99 1s3k h LYS 188 Ca -0.45 -0.06 -0.03 0.00 -1.27 0.00 0.00 60.65 58.85 1s3k h LYS 188 Cb 1.24 -0.21 -0.01 0.00 -0.41 0.00 0.00 32.23 32.84 1s3k h LYS 188 CO 0.63 0.61 -0.44 0.00 -2.27 0.00 0.00 179.45 177.97 1s3k h ALA 189 N 1.34 -1.11 -0.10 5.00 0.00 -1.92 -1.36 119.26 121.10 1s3k h ALA 189 Ca 0.32 -0.22 0.04 0.00 0.00 0.00 0.00 54.91 55.05 1s3k h ALA 189 Cb 0.04 0.56 -0.06 0.00 0.00 0.00 0.00 17.79 18.33 1s3k h ALA 189 CO -0.12 -1.14 -0.33 -0.44 0.00 0.00 0.00 179.25 177.21 1s3k h ASP 190 N -1.06 -1.02 -0.72 0.00 5.19 -1.90 -2.08 116.42 114.82 1s3k h ASP 190 Ca -0.09 0.14 0.15 0.00 -0.62 0.00 0.00 57.03 56.61 1s3k h ASP 190 Cb 0.87 0.43 -0.10 0.00 0.18 0.00 0.00 39.33 40.70 1s3k h ASP 190 CO 0.07 -0.37 0.22 0.22 -3.12 0.00 0.00 179.24 176.26 1s3k h TYR 191 N -0.42 0.36 0.00 4.55 3.20 -1.24 0.67 116.97 124.09 1s3k h TYR 191 Ca 0.09 0.04 0.00 0.00 3.14 0.00 0.00 58.73 62.00 1s3k h TYR 191 Cb 0.56 -0.05 0.00 0.00 1.54 0.00 0.00 36.73 38.78 1s3k h TYR 191 CO -0.40 -0.02 0.00 0.39 -1.64 0.00 0.00 178.16 176.49 1s3k n GLU 192 N -5.09 0.78 -0.06 1.82 1.02 -0.52 -2.55 120.64 116.04 1s3k n GLU 192 Ca 0.13 0.00 0.10 0.00 -0.02 0.00 0.00 57.16 57.38 1s3k n GLU 192 Cb 0.42 -1.38 0.12 0.00 -0.02 0.00 0.00 31.44 30.58 1s3k n GLU 192 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 1s3k n LYS 193 N -0.88 1.97 -4.16 3.49 5.02 0.23 -4.97 118.16 118.86 1s3k n LYS 193 Ca 0.14 -1.85 -0.12 0.00 -2.02 0.00 0.00 58.31 54.46 1s3k n LYS 193 Cb 0.07 -1.40 -0.10 0.00 -0.02 0.00 0.00 35.03 33.57 1s3k n LYS 193 CO 0.00 0.00 0.00 -1.01 -0.52 0.00 0.00 177.40 175.87 1s3k s HIS 194 N -1.54 0.94 -0.15 2.13 3.76 -1.06 -5.09 115.29 114.28 1s3k s HIS 194 Ca 0.27 -0.75 -0.07 0.00 -0.15 0.00 0.00 55.06 54.36 1s3k s HIS 194 Cb 0.18 -0.53 -0.06 0.00 1.11 0.00 0.00 32.58 33.27 1s3k s HIS 194 CO 0.26 -0.07 -0.19 1.17 -0.85 0.00 0.00 174.74 175.06 1s3k n LYS 195 N 0.39 0.31 -3.32 1.40 4.81 -1.26 -4.72 118.16 115.76 1s3k n LYS 195 Ca -0.15 0.14 -0.41 0.00 -0.87 0.00 0.00 58.31 57.02 1s3k n LYS 195 Cb 0.59 -1.04 -0.09 0.00 0.02 0.00 0.00 35.03 34.52 1s3k n LYS 195 CO 0.00 0.00 0.00 0.08 1.17 0.00 0.00 177.40 178.65 1s3k s VAL 196 N -2.27 5.10 -0.10 3.15 1.01 -1.26 0.30 120.40 126.32 1s3k s VAL 196 Ca -0.21 0.23 0.02 0.00 0.00 0.00 0.00 61.98 62.02 1s3k s VAL 196 Cb 0.08 -3.88 -0.02 0.00 0.00 0.00 0.00 36.38 32.56 1s3k s VAL 196 CO 0.26 -0.13 -0.15 -0.31 0.00 0.00 0.00 175.10 174.77 1s3k s TYR 197 N 2.20 2.74 -0.03 5.22 2.02 -0.76 -0.24 117.35 128.49 1s3k s TYR 197 Ca 0.15 -0.57 -0.24 0.00 -0.37 0.00 0.00 57.07 56.05 1s3k s TYR 197 Cb -0.16 -1.76 0.05 0.00 -0.40 0.00 0.00 41.96 39.69 1s3k s TYR 197 CO 0.12 -0.13 0.52 0.00 -1.57 0.00 0.00 175.55 174.48 1s3k s ALA 198 N 0.05 -1.33 -0.08 3.71 0.00 -0.64 -1.00 121.76 122.46 1s3k s ALA 198 Ca -0.06 0.87 0.05 0.00 0.00 0.00 0.00 51.96 52.82 1s3k s ALA 198 Cb -0.15 0.04 -0.01 0.00 0.00 0.00 0.00 23.12 23.01 1s3k s ALA 198 CO 0.05 -0.32 -0.24 0.00 0.00 0.00 0.00 175.76 175.25 1s3k s GLU 200 N 0.12 3.95 -0.14 0.00 2.12 0.16 -2.37 118.70 122.54 1s3k s GLU 200 Ca -0.12 -0.34 -0.03 0.00 0.36 0.00 0.00 54.97 54.85 1s3k s GLU 200 Cb -0.16 -3.42 -0.03 0.00 0.26 0.00 0.00 34.13 30.78 1s3k s GLU 200 CO 0.06 0.04 -0.04 0.08 -0.54 0.00 0.00 175.26 174.87 1s3k s VAL 201 N 1.07 3.90 -0.09 3.70 1.01 0.23 -1.29 120.40 128.93 1s3k s VAL 201 Ca 0.06 -0.37 0.04 0.00 0.00 0.00 0.00 61.98 61.71 1s3k s VAL 201 Cb -0.14 -2.69 -0.01 0.00 0.00 0.00 0.00 36.38 33.55 1s3k s VAL 201 CO 0.04 0.52 -0.21 -0.89 0.00 0.00 0.00 175.10 174.56 1s3k s THR 202 N 0.09 2.39 0.04 3.92 2.01 0.21 -1.10 115.64 123.19 1s3k s THR 202 Ca -0.01 -0.92 -0.26 0.00 0.31 0.00 0.00 61.69 60.82 1s3k s THR 202 Cb -0.14 -1.93 0.06 0.00 0.01 0.00 0.00 72.50 70.51 1s3k s THR 202 CO 0.03 0.56 0.60 -2.28 -0.69 0.00 0.00 174.62 172.83 1s3k s HIS 203 N 0.11 -0.54 0.36 4.92 2.46 -1.26 -1.01 115.29 120.33 1s3k s HIS 203 Ca -0.10 0.67 0.11 0.00 0.47 0.00 0.00 55.06 56.21 1s3k s HIS 203 Cb -0.16 0.43 0.87 0.00 -0.13 0.00 0.00 32.58 33.60 1s3k s HIS 203 CO 0.06 -0.69 1.83 0.37 -2.47 0.00 0.00 174.74 173.84 1s3k h GLN 204 N 2.65 0.61 0.00 2.88 5.75 -1.92 -1.32 115.11 123.76 1s3k h GLN 204 Ca -0.30 -0.04 0.00 0.00 -0.15 0.00 0.00 58.65 58.16 1s3k h GLN 204 Cb 1.21 -0.14 0.00 0.00 1.07 0.00 0.00 27.48 29.63 1s3k h GLN 204 CO 0.39 0.40 0.00 0.41 -2.65 0.00 0.00 178.83 177.39 1s3k n GLY 205 N -1.43 -1.56 3.70 2.39 0.00 -1.26 -4.77 105.19 102.27 1s3k n GLY 205 Ca 0.20 -0.06 -0.36 0.00 0.00 0.00 0.00 46.02 45.80 1s3k n GLY 205 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1s3k s LEU 206 N -3.74 4.18 0.36 0.99 1.43 -0.50 -4.62 118.68 116.79 1s3k s LEU 206 Ca 0.12 0.28 0.15 0.00 -1.03 0.00 0.00 54.13 53.65 1s3k s LEU 206 Cb 0.15 -2.19 0.69 0.00 0.03 0.00 0.00 46.19 44.87 1s3k s LEU 206 CO 0.54 0.10 1.77 0.77 0.23 0.00 0.00 176.35 179.77 1s3k h SER 207 N 6.99 0.00 -5.18 2.29 4.64 -1.86 -3.43 113.55 117.00 1s3k h SER 207 Ca -0.40 0.00 -0.11 0.00 -0.47 0.00 0.00 61.79 60.82 1s3k h SER 207 Cb 1.16 0.00 -0.15 0.00 -0.31 0.00 0.00 62.40 63.10 1s3k h SER 207 CO 0.72 0.41 -0.51 -0.94 -0.87 0.00 0.00 176.83 175.64 1s3k s SER 208 N -6.72 0.27 0.37 4.97 1.04 -1.26 -5.14 113.70 107.23 1s3k s SER 208 Ca -0.02 -0.76 -0.28 0.00 0.48 0.00 0.00 55.95 55.37 1s3k s SER 208 Cb 0.13 0.27 -0.10 0.00 0.10 0.00 0.00 66.02 66.42 1s3k s SER 208 CO 0.71 -0.64 1.39 -2.16 0.98 0.00 0.00 173.24 173.52 1s3k s PRO 209 N -3.66 4.15 -0.12 4.02 0.04 -1.26 -4.91 135.00 133.25 1s3k s PRO 209 Ca 0.04 2.36 -0.05 0.00 0.04 0.00 0.00 61.00 63.39 1s3k s PRO 209 Cb 0.05 -2.95 -0.04 0.00 0.04 0.00 0.00 34.50 31.60 1s3k s PRO 209 CO -0.10 -0.42 0.09 0.08 0.04 0.00 0.00 177.00 176.69 1s3k s VAL 210 N -1.16 5.05 -0.06 -0.36 1.01 -0.26 -4.89 120.40 119.73 1s3k s VAL 210 Ca 0.53 0.04 0.02 0.00 0.00 0.00 0.00 61.98 62.57 1s3k s VAL 210 Cb -0.42 -3.19 0.01 0.00 0.00 0.00 0.00 36.38 32.78 1s3k s VAL 210 CO 0.57 0.60 -0.12 -0.89 0.00 0.00 0.00 175.10 175.25 1s3k s THR 211 N -0.82 1.14 0.06 3.92 2.01 -1.26 0.77 115.64 121.45 1s3k s THR 211 Ca 0.13 -0.49 0.09 0.00 0.31 0.00 0.00 61.69 61.74 1s3k s THR 211 Cb -0.12 -1.04 -0.03 0.00 0.01 0.00 0.00 72.50 71.33 1s3k s THR 211 CO 0.03 0.35 -0.26 -0.54 -0.69 0.00 0.00 174.62 173.52 1s3k s LYS 212 N 0.63 1.78 0.31 4.92 3.01 -1.00 -4.99 119.74 124.40 1s3k s LYS 212 Ca -0.14 -1.13 -0.17 0.00 -1.01 0.00 0.00 55.97 53.52 1s3k s LYS 212 Cb -0.15 -1.99 0.03 0.00 -1.01 0.00 0.00 37.83 34.70 1s3k s LYS 212 CO 0.04 0.51 0.69 -1.54 0.51 0.00 0.00 175.35 175.55 1s3k s SER 213 N -1.37 -0.07 0.06 2.83 1.04 -1.26 -1.44 113.70 113.50 1s3k s SER 213 Ca 0.12 -0.89 -0.18 0.00 0.48 0.00 0.00 55.95 55.48 1s3k s SER 213 Cb -0.10 0.75 0.04 0.00 0.10 0.00 0.00 66.02 66.80 1s3k s SER 213 CO 0.03 -1.43 0.42 0.72 0.98 0.00 0.00 173.24 173.96 1s3k s PHE 214 N -3.34 -0.27 -0.30 5.02 -0.71 -0.17 -4.99 117.98 113.22 1s3k s PHE 214 Ca 0.15 0.19 -0.10 0.00 -1.04 0.00 0.00 56.93 56.13 1s3k s PHE 214 Cb -0.05 0.24 -0.02 0.00 -1.21 0.00 0.00 43.02 41.98 1s3k s PHE 214 CO 0.10 -0.61 0.16 -0.80 -1.34 0.00 0.00 175.22 172.73 1s3k s ASN 215 N -2.16 5.67 0.00 1.98 0.02 -1.26 -1.82 114.94 117.36 1s3k s ASN 215 Ca -0.04 -0.32 0.00 0.00 -1.02 0.00 0.00 52.86 51.48 1s3k s ASN 215 Cb -0.00 -2.04 0.00 0.00 0.02 0.00 0.00 41.25 39.23 1s3k s ASN 215 CO -0.04 -0.14 0.17 -1.14 0.02 0.00 0.00 177.10 175.97