#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3i4m s SER 2 N 0.00 -0.32 0.00 3.17 1.04 -1.26 -5.16 113.70 111.16 3i4m s SER 2 Ca 0.00 -0.34 0.00 0.00 0.48 0.00 0.00 55.95 56.09 3i4m s SER 2 Cb 0.00 0.59 0.00 0.00 0.10 0.00 0.00 66.02 66.71 3i4m s SER 2 CO 0.00 -1.05 0.00 -0.62 0.98 0.00 0.00 173.24 172.55 3i4m n GLU 3 N -0.42 0.00 0.00 4.02 -0.58 -1.26 -5.04 120.64 117.36 3i4m n GLU 3 Ca -0.08 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.66 3i4m n GLU 3 Cb 0.61 0.00 0.00 0.00 -0.57 0.00 0.00 31.44 31.48 3i4m n GLU 3 CO 0.00 0.00 0.00 0.39 -0.48 0.00 0.00 177.13 177.04 3i4m n GLU 4 N 0.47 0.00 0.00 3.49 1.02 -1.26 -4.97 120.64 119.38 3i4m n GLU 4 Ca 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.14 3i4m n GLU 4 Cb 0.00 -0.04 0.00 0.00 -0.02 0.00 0.00 31.44 31.38 3i4m n GLU 4 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3i4m n GLY 5 N 0.00 0.38 2.65 0.62 0.00 -1.26 -5.02 105.19 102.56 3i4m n GLY 5 Ca 0.00 0.00 -0.46 0.00 0.00 0.00 0.00 46.02 45.56 3i4m n GLY 5 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 3i4m n PRO 6 N 0.00 0.00 -3.66 1.61 -0.04 -1.21 -4.94 135.00 126.76 3i4m n PRO 6 Ca 0.00 0.00 -0.16 0.00 -0.04 0.00 0.00 63.50 63.30 3i4m n PRO 6 Cb 0.00 -1.11 -0.15 0.00 -0.04 0.00 0.00 33.50 32.20 3i4m n PRO 6 CO 0.00 0.00 0.00 -0.65 -0.04 0.00 0.00 175.50 174.81 3i4m s GLN 7 N 0.73 0.07 0.69 0.54 -0.21 -0.88 -5.03 119.66 115.58 3i4m s GLN 7 Ca 0.71 0.61 -0.12 0.00 0.02 0.00 0.00 55.36 56.58 3i4m s GLN 7 Cb -1.00 -0.23 0.17 0.00 1.00 0.00 0.00 33.01 32.95 3i4m s GLN 7 CO 0.48 -0.31 0.74 0.28 -2.12 0.00 0.00 175.29 174.36 3i4m n VAL 8 N 5.33 0.00 -2.67 1.09 0.31 -1.26 -2.09 118.33 119.04 3i4m n VAL 8 Ca -0.05 -0.43 -0.05 0.00 -0.01 0.00 0.00 64.34 63.80 3i4m n VAL 8 Cb 0.50 -1.38 0.08 0.00 -0.91 0.00 0.00 33.84 32.13 3i4m n VAL 8 CO 0.00 0.00 0.00 0.29 -1.32 0.00 0.00 176.83 175.80 3i4m n LYS 9 N -3.20 0.21 -0.97 5.55 4.01 -1.15 -4.83 118.16 117.78 3i4m n LYS 9 Ca 0.10 -0.82 -0.45 0.00 -0.51 0.00 0.00 58.31 56.63 3i4m n LYS 9 Cb 0.36 -0.34 -0.08 0.00 -0.51 0.00 0.00 35.03 34.46 3i4m n LYS 9 CO 0.00 0.00 0.00 -0.89 -1.11 0.00 0.00 177.40 175.40 3i4m n ILE 10 N 1.24 0.00 -0.02 -0.18 5.41 -1.26 -2.99 119.36 121.56 3i4m n ILE 10 Ca 0.00 0.00 -0.16 0.00 1.00 0.00 0.00 62.75 63.60 3i4m n ILE 10 Cb 0.71 -0.36 -0.10 0.00 -0.71 0.00 0.00 39.64 39.18 3i4m n ILE 10 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 176.55 176.46 3i4m h ARG 11 N 6.02 0.31 -4.28 0.38 2.43 -1.09 -3.46 114.38 114.69 3i4m h ARG 11 Ca -0.12 -0.29 -0.33 0.00 -0.81 0.00 0.00 59.98 58.44 3i4m h ARG 11 Cb 1.02 0.07 -0.09 0.00 -0.42 0.00 0.00 29.97 30.56 3i4m h ARG 11 CO 0.78 0.96 -0.23 -1.21 -1.51 0.00 0.00 179.97 178.75 3i4m s GLU 12 N -3.42 1.94 0.06 0.20 2.02 -0.07 -5.03 118.70 114.40 3i4m s GLU 12 Ca -0.14 -1.85 -0.07 0.00 0.02 0.00 0.00 54.97 52.93 3i4m s GLU 12 Cb 0.03 0.43 -0.01 0.00 0.10 0.00 0.00 34.13 34.68 3i4m s GLU 12 CO 0.78 -0.79 0.14 0.00 0.02 0.00 0.00 175.26 175.40 3i4m s ALA 13 N -3.01 -0.13 -0.27 5.21 0.00 -1.26 -3.83 121.76 118.46 3i4m s ALA 13 Ca 0.33 -0.58 -0.26 0.00 0.00 0.00 0.00 51.96 51.45 3i4m s ALA 13 Cb -0.00 0.34 0.16 0.00 0.00 0.00 0.00 23.12 23.62 3i4m s ALA 13 CO 0.23 -0.40 1.22 0.45 0.00 0.00 0.00 175.76 177.25 3i4m s SER 14 N -2.47 -0.25 0.23 0.00 0.15 -0.95 -4.98 113.70 105.44 3i4m s SER 14 Ca -0.00 0.44 0.11 0.00 0.70 0.00 0.00 55.95 57.21 3i4m s SER 14 Cb 0.02 0.44 0.62 0.00 -1.71 0.00 0.00 66.02 65.38 3i4m s SER 14 CO -0.07 -0.11 1.26 1.17 1.20 0.00 0.00 173.24 176.68 3i4m n LYS 15 N 1.65 0.08 -3.06 5.44 4.81 -1.26 -2.08 118.16 123.73 3i4m n LYS 15 Ca -0.10 0.53 -0.16 0.00 -0.87 0.00 0.00 58.31 57.71 3i4m n LYS 15 Cb 0.57 -1.94 -0.01 0.00 0.02 0.00 0.00 35.03 33.67 3i4m n LYS 15 CO 0.00 0.00 0.00 -0.25 1.17 0.00 0.00 177.40 178.32 3i4m n ASP 16 N -1.91 0.74 0.00 3.14 8.00 -1.26 -4.40 116.55 120.86 3i4m n ASP 16 Ca -0.01 -2.98 0.00 0.00 0.71 0.00 0.00 54.79 52.51 3i4m n ASP 16 Cb 0.21 -0.45 0.00 0.00 -0.02 0.00 0.00 41.12 40.86 3i4m n ASP 16 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 3i4m n ASN 17 N 0.21 0.00 -3.06 -2.24 3.02 -0.88 -4.56 115.26 107.74 3i4m n ASN 17 Ca 0.21 0.00 -0.19 0.00 -0.03 0.00 0.00 54.58 54.56 3i4m n ASN 17 Cb 0.69 0.00 -0.04 0.00 -0.61 0.00 0.00 39.78 39.83 3i4m n ASN 17 CO 0.00 0.00 0.00 0.52 -2.62 0.00 0.00 177.26 175.16 3i4m n VAL 18 N -1.12 -0.50 -1.57 2.41 0.31 -0.41 -2.23 118.33 115.22 3i4m n VAL 18 Ca 0.00 -3.26 -0.40 0.00 -0.01 0.00 0.00 64.34 60.67 3i4m n VAL 18 Cb 0.00 -0.94 -0.03 0.00 -0.91 0.00 0.00 33.84 31.96 3i4m n VAL 18 CO 0.00 0.00 0.00 -0.67 -1.32 0.00 0.00 176.83 174.84 3i4m n ASP 19 N 1.50 2.80 -4.19 4.52 -0.08 -1.25 -3.97 116.55 115.89 3i4m n ASP 19 Ca 0.18 -0.14 -0.16 0.00 -1.51 0.00 0.00 54.79 53.16 3i4m n ASP 19 Cb 0.56 -1.57 -0.11 0.00 2.34 0.00 0.00 41.12 42.34 3i4m n ASP 19 CO 0.00 0.00 0.00 0.72 0.12 0.00 0.00 177.20 178.04 3i4m s PHE 20 N 10.19 1.15 -0.77 -0.67 -0.12 -1.09 -0.48 117.98 126.20 3i4m s PHE 20 Ca 1.00 -0.60 -0.05 0.00 -0.05 0.00 0.00 56.93 57.23 3i4m s PHE 20 Cb -0.27 -0.62 0.20 0.00 -0.63 0.00 0.00 43.02 41.69 3i4m s PHE 20 CO 0.31 0.04 0.63 0.42 -0.05 0.00 0.00 175.22 176.57 3i4m s ILE 21 N -2.21 4.36 -0.36 -4.49 1.01 -1.16 -2.66 121.20 115.70 3i4m s ILE 21 Ca 0.05 -3.17 -0.29 0.00 0.00 0.00 0.00 60.65 57.24 3i4m s ILE 21 Cb -0.04 -3.75 0.01 0.00 0.01 0.00 0.00 42.46 38.68 3i4m s ILE 21 CO 0.01 -0.98 1.33 -0.22 0.00 0.00 0.00 174.94 175.08 3i4m s LEU 22 N -0.47 3.75 0.27 2.97 0.20 -0.90 -2.96 118.68 121.54 3i4m s LEU 22 Ca 0.21 1.00 0.10 0.00 0.69 0.00 0.00 54.13 56.12 3i4m s LEU 22 Cb -0.14 -3.54 -0.05 0.00 -0.43 0.00 0.00 46.19 42.02 3i4m s LEU 22 CO -0.07 -1.23 -0.14 -0.94 -0.29 0.00 0.00 176.35 173.68 3i4m s SER 23 N 3.19 3.22 -0.40 3.68 1.04 -0.89 0.22 113.70 123.76 3i4m s SER 23 Ca 0.57 -1.09 -0.15 0.00 0.48 0.00 0.00 55.95 55.77 3i4m s SER 23 Cb -0.15 -0.25 0.02 0.00 0.10 0.00 0.00 66.02 65.75 3i4m s SER 23 CO 0.27 -0.13 0.55 -3.20 0.98 0.00 0.00 173.24 171.71 3i4m n ASN 24 N -0.59 -7.68 -2.02 7.02 5.15 -1.26 -2.07 115.26 113.81 3i4m n ASN 24 Ca -0.06 0.55 -0.02 0.00 -0.60 0.00 0.00 54.58 54.45 3i4m n ASN 24 Cb 0.61 -5.19 0.01 0.00 -0.53 0.00 0.00 39.78 34.68 3i4m n ASN 24 CO 0.00 0.00 0.00 1.33 1.40 0.00 0.00 177.26 179.99 3i4m n VAL 25 N -0.27 0.00 -3.46 3.44 0.24 -1.26 -3.31 118.33 113.71 3i4m n VAL 25 Ca 0.11 -0.28 -0.38 0.00 -2.04 0.00 0.00 64.34 61.75 3i4m n VAL 25 Cb 0.42 0.37 -0.06 0.00 -1.47 0.00 0.00 33.84 33.10 3i4m n VAL 25 CO 0.00 0.00 0.00 -1.81 -2.14 0.00 0.00 176.83 172.88 3i4m s ASP 26 N -2.09 6.84 0.16 -1.34 1.11 -1.26 -4.59 116.67 115.49 3i4m s ASP 26 Ca 0.10 1.00 -0.16 0.00 0.18 0.00 0.00 52.55 53.66 3i4m s ASP 26 Cb -0.01 -2.27 0.07 0.00 1.07 0.00 0.00 42.92 41.78 3i4m s ASP 26 CO 0.03 0.30 1.73 0.25 1.18 0.00 0.00 175.17 178.65 3i4m h LEU 27 N 4.82 -0.01 -0.73 1.23 5.85 -2.00 -1.38 115.31 123.09 3i4m h LEU 27 Ca -0.51 0.06 0.07 0.00 0.84 0.00 0.00 57.88 58.35 3i4m h LEU 27 Cb 1.22 0.09 -0.09 0.00 0.37 0.00 0.00 40.66 42.24 3i4m h LEU 27 CO 0.63 0.03 -0.41 0.00 -0.34 0.00 0.00 178.44 178.35 3i4m n ALA 28 N -2.42 -0.41 0.22 1.25 0.00 -1.26 -0.03 120.51 117.86 3i4m n ALA 28 Ca 0.01 0.63 -0.17 0.00 0.00 0.00 0.00 53.44 53.91 3i4m n ALA 28 Cb 0.16 -0.14 -0.10 0.00 0.00 0.00 0.00 19.45 19.37 3i4m n ALA 28 CO 0.00 0.00 0.00 1.98 0.00 0.00 0.00 177.50 179.48 3i4m h MET 29 N 0.00 -0.87 -1.00 0.00 1.85 -1.69 0.53 114.93 113.75 3i4m h MET 29 Ca 0.14 0.06 0.19 0.00 -0.61 0.00 0.00 59.70 59.48 3i4m h MET 29 Cb 0.32 0.20 -0.18 0.00 0.43 0.00 0.00 31.60 32.36 3i4m h MET 29 CO -0.69 -0.58 -0.28 0.00 -0.40 0.00 0.00 176.91 174.97 3i4m h ALA 30 N -0.76 0.56 0.36 0.39 0.00 0.52 0.16 119.26 120.49 3i4m h ALA 30 Ca -0.04 0.37 -0.02 0.00 0.00 0.00 0.00 54.91 55.22 3i4m h ALA 30 Cb 0.83 0.81 0.00 0.00 0.00 0.00 0.00 17.79 19.43 3i4m h ALA 30 CO -0.16 -0.43 -0.17 -0.97 0.00 0.00 0.00 179.25 177.53 3i4m h ASN 31 N -0.00 -0.41 -1.44 0.00 -1.24 -0.62 -1.46 115.58 110.42 3i4m h ASN 31 Ca 0.45 -0.14 0.48 0.00 0.71 0.00 0.00 56.30 57.81 3i4m h ASN 31 Cb 0.70 0.11 -0.13 0.00 0.73 0.00 0.00 38.32 39.73 3i4m h ASN 31 CO -1.02 0.02 0.94 -1.20 -1.29 0.00 0.00 177.43 174.88 3i4m n SER 32 N -5.12 0.18 0.12 1.15 7.64 0.18 0.11 113.62 117.88 3i4m n SER 32 Ca -0.09 1.32 -0.06 0.00 1.01 0.00 0.00 58.87 61.05 3i4m n SER 32 Cb 0.27 -0.65 -0.03 0.00 -1.01 0.00 0.00 64.21 62.79 3i4m n SER 32 CO 0.00 0.00 0.00 0.25 -3.01 0.00 0.00 175.04 172.28 3i4m h LEU 33 N 0.00 -0.33 -0.68 -3.43 5.85 -0.62 -2.75 115.31 113.35 3i4m h LEU 33 Ca 0.88 0.01 0.08 0.00 0.84 0.00 0.00 57.88 59.69 3i4m h LEU 33 Cb 2.92 0.09 -0.09 0.00 0.37 0.00 0.00 40.66 43.94 3i4m h LEU 33 CO -0.40 0.11 -0.33 -1.14 -0.34 0.00 0.00 178.44 176.33 3i4m n ARG 34 N -4.97 -0.23 0.17 1.25 0.63 0.30 0.05 116.66 113.86 3i4m n ARG 34 Ca -0.05 1.03 -0.17 0.00 -0.92 0.00 0.00 57.85 57.74 3i4m n ARG 34 Cb 0.15 -1.52 -0.10 0.00 0.45 0.00 0.00 32.46 31.44 3i4m n ARG 34 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 3i4m h ARG 35 N 0.00 -0.81 -0.77 -0.14 3.08 -0.59 -2.08 114.38 113.07 3i4m h ARG 35 Ca 0.17 0.06 0.11 0.00 0.07 0.00 0.00 59.98 60.39 3i4m h ARG 35 Cb 0.34 0.18 -0.13 0.00 0.08 0.00 0.00 29.97 30.44 3i4m h ARG 35 CO -0.65 -0.54 -0.41 0.28 -1.07 0.00 0.00 179.97 177.57 3i4m h VAL 36 N -0.84 0.07 -0.70 2.04 2.07 -0.06 0.21 116.25 119.03 3i4m h VAL 36 Ca -0.03 0.00 0.15 0.00 0.82 0.00 0.00 66.70 67.65 3i4m h VAL 36 Cb 0.80 0.07 -0.12 0.00 -1.52 0.00 0.00 31.29 30.52 3i4m h VAL 36 CO -0.21 0.00 0.03 0.24 0.02 0.00 0.00 177.57 177.65 3i4m h MET 37 N -0.11 0.13 0.78 1.57 2.86 -0.72 0.15 114.93 119.59 3i4m h MET 37 Ca 0.25 -0.01 -0.04 0.00 -2.06 0.00 0.00 59.70 57.84 3i4m h MET 37 Cb 0.56 -0.03 0.01 0.00 0.06 0.00 0.00 31.60 32.19 3i4m h MET 37 CO -0.82 0.09 -0.37 0.82 1.06 0.00 0.00 176.91 177.69 3i4m h ILE 38 N 0.14 0.00 -0.00 -1.22 2.04 0.06 -3.36 117.51 115.16 3i4m h ILE 38 Ca 0.38 -0.02 0.00 0.00 1.00 0.00 0.00 64.86 66.22 3i4m h ILE 38 Cb 0.64 0.00 0.00 0.00 -0.74 0.00 0.00 36.82 36.72 3i4m h ILE 38 CO -0.58 0.00 -0.50 0.00 0.00 0.00 0.00 178.15 177.07 3i4m n ALA 39 N -2.53 3.44 0.22 1.87 0.00 -0.71 -4.27 120.51 118.52 3i4m n ALA 39 Ca -0.13 -0.37 0.03 0.00 0.00 0.00 0.00 53.44 52.96 3i4m n ALA 39 Cb 0.41 -0.44 0.02 0.00 0.00 0.00 0.00 19.45 19.44 3i4m n ALA 39 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 3i4m n GLU 40 N -1.03 0.34 -2.46 0.00 1.02 0.50 -0.83 120.64 118.17 3i4m n GLU 40 Ca 0.03 -0.72 -0.43 0.00 -0.02 0.00 0.00 57.16 56.02 3i4m n GLU 40 Cb 0.21 -1.06 -0.02 0.00 -0.02 0.00 0.00 31.44 30.54 3i4m n GLU 40 CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 3i4m s ILE 41 N -0.54 4.31 0.54 -3.67 1.01 -1.17 -4.90 121.20 116.78 3i4m s ILE 41 Ca 0.06 1.61 -0.21 0.00 0.00 0.00 0.00 60.65 62.11 3i4m s ILE 41 Cb 0.04 -4.03 -0.07 0.00 0.01 0.00 0.00 42.46 38.41 3i4m s ILE 41 CO 0.08 -0.06 1.05 -2.65 0.00 0.00 0.00 174.94 173.35 3i4m n PRO 42 N 5.79 1.18 0.00 2.79 -0.02 -1.26 -4.62 135.00 138.86 3i4m n PRO 42 Ca 0.12 0.44 0.00 0.00 -2.02 0.00 0.00 63.50 62.04 3i4m n PRO 42 Cb 0.46 -2.21 0.00 0.00 -0.02 0.00 0.00 33.50 31.73 3i4m n PRO 42 CO 0.00 0.00 0.00 2.41 1.98 0.00 0.00 175.50 179.89 3i4m n THR 43 N -1.24 0.00 -3.64 3.45 -1.04 -0.92 -4.93 114.28 105.96 3i4m n THR 43 Ca 0.12 0.00 -0.04 0.00 -2.04 0.00 0.00 64.05 62.09 3i4m n THR 43 Cb 0.44 0.00 -0.07 0.00 -1.82 0.00 0.00 70.33 68.89 3i4m n THR 43 CO 0.00 0.00 0.00 -0.22 -0.64 0.00 0.00 175.07 174.21 3i4m s LEU 44 N 0.00 -0.53 0.13 -4.42 0.20 -1.24 -4.47 118.68 108.35 3i4m s LEU 44 Ca 0.00 0.88 -0.24 0.00 0.69 0.00 0.00 54.13 55.46 3i4m s LEU 44 Cb 0.00 1.82 0.07 0.00 -0.43 0.00 0.00 46.19 47.65 3i4m s LEU 44 CO 0.00 -0.14 0.66 0.00 -0.29 0.00 0.00 176.35 176.58 3i4m s ALA 45 N 1.16 -1.63 0.62 5.97 0.00 -1.19 -3.92 121.76 122.77 3i4m s ALA 45 Ca -0.07 0.56 -0.18 0.00 0.00 0.00 0.00 51.96 52.26 3i4m s ALA 45 Cb -0.04 0.79 -0.03 0.00 0.00 0.00 0.00 23.12 23.84 3i4m s ALA 45 CO -0.14 -0.77 1.16 -0.89 0.00 0.00 0.00 175.76 175.12 3i4m n ILE 46 N -0.36 4.36 -1.53 0.00 5.41 -1.26 -2.36 119.36 123.61 3i4m n ILE 46 Ca -0.15 -0.50 0.00 0.00 1.00 0.00 0.00 62.75 63.10 3i4m n ILE 46 Cb 0.64 -1.35 0.00 0.00 -0.71 0.00 0.00 39.64 38.22 3i4m n ILE 46 CO 0.00 0.00 0.00 -0.67 0.00 0.00 0.00 176.55 175.88 3i4m n ASP 47 N -1.36 0.00 -3.66 4.38 2.03 -1.19 -4.48 116.55 112.28 3i4m n ASP 47 Ca 0.15 -1.00 -0.06 0.00 0.52 0.00 0.00 54.79 54.40 3i4m n ASP 47 Cb 0.47 0.00 -0.07 0.00 -0.72 0.00 0.00 41.12 40.80 3i4m n ASP 47 CO 0.00 0.00 0.00 -0.55 -1.92 0.00 0.00 177.20 174.73 3i4m s SER 48 N 0.00 -0.73 -0.05 1.67 0.15 -1.23 -4.98 113.70 108.53 3i4m s SER 48 Ca 0.00 1.28 0.06 0.00 0.70 0.00 0.00 55.95 58.00 3i4m s SER 48 Cb 0.00 1.66 -0.01 0.00 -1.71 0.00 0.00 66.02 65.95 3i4m s SER 48 CO 0.00 -0.22 -0.24 -0.69 1.20 0.00 0.00 173.24 173.28 3i4m s VAL 49 N 2.44 1.97 -0.72 4.45 1.01 -1.26 -0.99 120.40 127.29 3i4m s VAL 49 Ca -0.06 -1.03 0.04 0.00 0.00 0.00 0.00 61.98 60.94 3i4m s VAL 49 Cb -0.11 -1.66 0.25 0.00 0.00 0.00 0.00 36.38 34.86 3i4m s VAL 49 CO -0.16 0.55 0.81 1.21 0.00 0.00 0.00 175.10 177.51 3i4m n GLU 50 N 2.88 2.70 -1.56 2.72 2.13 -0.22 -4.95 120.64 124.32 3i4m n GLU 50 Ca -0.17 -4.63 -0.51 0.00 0.66 0.00 0.00 57.16 52.51 3i4m n GLU 50 Cb 0.52 -2.30 -0.06 0.00 0.27 0.00 0.00 31.44 29.87 3i4m n GLU 50 CO 0.00 0.00 0.00 0.28 -0.41 0.00 0.00 177.13 177.00 3i4m n VAL 51 N 1.11 0.33 -0.11 6.31 0.31 -1.26 -3.87 118.33 121.14 3i4m n VAL 51 Ca 0.28 -0.20 -0.24 0.00 -0.01 0.00 0.00 64.34 64.16 3i4m n VAL 51 Cb 0.39 -1.72 -0.11 0.00 -0.91 0.00 0.00 33.84 31.49 3i4m n VAL 51 CO 0.00 0.00 0.00 1.21 -1.32 0.00 0.00 176.83 176.72 3i4m n GLU 52 N 7.40 0.62 -3.80 5.55 2.13 0.65 -4.97 120.64 128.21 3i4m n GLU 52 Ca 0.33 0.31 -0.13 0.00 0.66 0.00 0.00 57.16 58.33 3i4m n GLU 52 Cb 0.25 -1.58 -0.12 0.00 0.27 0.00 0.00 31.44 30.25 3i4m n GLU 52 CO 0.00 0.00 0.00 0.99 -0.41 0.00 0.00 177.13 177.71 3i4m s THR 53 N -2.49 -0.01 -0.18 6.31 2.01 -1.09 -4.93 115.64 115.27 3i4m s THR 53 Ca -0.34 0.02 -0.08 0.00 0.31 0.00 0.00 61.69 61.61 3i4m s THR 53 Cb 0.11 -0.27 0.07 0.00 0.01 0.00 0.00 72.50 72.42 3i4m s THR 53 CO 0.57 0.01 0.39 0.21 -0.69 0.00 0.00 174.62 175.11 3i4m s ASN 54 N 0.23 -0.30 0.00 3.53 2.47 -1.24 0.18 114.94 119.81 3i4m s ASN 54 Ca -0.01 0.90 0.00 0.00 0.42 0.00 0.00 52.86 54.16 3i4m s ASN 54 Cb -0.02 1.02 0.00 0.00 -1.45 0.00 0.00 41.25 40.79 3i4m s ASN 54 CO -0.01 -0.22 0.43 0.41 -3.72 0.00 0.00 177.10 174.00 3i4m n THR 55 N 4.90 0.11 0.00 -5.21 -1.04 0.63 -4.93 114.28 108.73 3i4m n THR 55 Ca -0.15 -0.41 0.00 0.00 -2.04 0.00 0.00 64.05 61.45 3i4m n THR 55 Cb 0.52 1.19 0.00 0.00 -1.82 0.00 0.00 70.33 70.21 3i4m n THR 55 CO 0.00 0.00 0.00 0.41 -0.64 0.00 0.00 175.07 174.84 3i4m n THR 56 N -0.06 0.00 0.16 12.58 -1.04 -1.26 -4.76 114.28 119.91 3i4m n THR 56 Ca 0.00 0.00 0.03 0.00 -2.04 0.00 0.00 64.05 62.04 3i4m n THR 56 Cb 0.11 0.00 -0.05 0.00 -1.82 0.00 0.00 70.33 68.57 3i4m n THR 56 CO 0.00 0.00 0.00 0.52 -0.64 0.00 0.00 175.07 174.95 3i4m n VAL 57 N -2.29 0.00 -3.00 12.58 0.31 -1.26 -4.86 118.33 119.81 3i4m n VAL 57 Ca 0.00 -0.25 -0.43 0.00 -0.01 0.00 0.00 64.34 63.65 3i4m n VAL 57 Cb 0.00 0.66 -0.06 0.00 -0.91 0.00 0.00 33.84 33.54 3i4m n VAL 57 CO 0.00 0.00 0.00 -0.76 -1.32 0.00 0.00 176.83 174.75 3i4m s LEU 58 N -2.92 4.34 0.57 7.52 2.01 -1.26 -5.02 118.68 123.92 3i4m s LEU 58 Ca -0.00 -0.25 -0.21 0.00 0.01 0.00 0.00 54.13 53.68 3i4m s LEU 58 Cb 0.05 -2.86 -0.04 0.00 0.01 0.00 0.00 46.19 43.35 3i4m s LEU 58 CO 0.29 -0.92 1.32 0.00 1.01 0.00 0.00 176.35 178.05 3i4m s ALA 59 N 3.21 2.69 0.00 4.21 0.00 -1.26 -4.62 121.76 125.99 3i4m s ALA 59 Ca 0.27 1.25 0.00 0.00 0.00 0.00 0.00 51.96 53.49 3i4m s ALA 59 Cb -0.13 -3.54 0.00 0.00 0.00 0.00 0.00 23.12 19.44 3i4m s ALA 59 CO 0.21 -1.38 0.00 -0.25 0.00 0.00 0.00 175.76 174.34 3i4m n ASP 60 N -1.28 0.00 -0.54 0.00 8.00 -1.26 0.10 116.55 121.58 3i4m n ASP 60 Ca 0.12 0.00 0.45 0.00 0.71 0.00 0.00 54.79 56.07 3i4m n ASP 60 Cb 0.46 0.00 0.79 0.00 -0.02 0.00 0.00 41.12 42.35 3i4m n ASP 60 CO 0.00 0.00 0.00 1.05 -0.39 0.00 0.00 177.20 177.86 3i4m h GLU 61 N 0.00 0.01 0.37 -1.24 9.09 -1.96 0.50 114.58 121.34 3i4m h GLU 61 Ca 0.00 -0.00 -0.01 0.00 0.05 0.00 0.00 59.36 59.40 3i4m h GLU 61 Cb 0.00 -0.00 -0.01 0.00 -1.65 0.00 0.00 28.75 27.09 3i4m h GLU 61 CO 0.00 0.00 -0.25 0.35 0.05 0.00 0.00 179.01 179.16 3i4m h PHE 62 N 0.01 -0.67 0.11 2.06 -0.00 -0.66 0.94 116.94 118.74 3i4m h PHE 62 Ca 0.78 -0.00 -0.01 0.00 -0.00 0.00 0.00 57.97 58.74 3i4m h PHE 62 Cb 3.11 0.24 0.00 0.00 -0.00 0.00 0.00 35.95 39.30 3i4m h PHE 62 CO -0.00 -0.38 -0.05 0.82 -0.00 0.00 0.00 178.31 178.69 3i4m h ILE 63 N -0.61 0.99 -1.15 1.41 2.04 -0.07 -2.58 117.51 117.54 3i4m h ILE 63 Ca -0.03 -0.41 0.33 0.00 1.00 0.00 0.00 64.86 65.74 3i4m h ILE 63 Cb 0.52 1.26 -0.05 0.00 -0.74 0.00 0.00 36.82 37.80 3i4m h ILE 63 CO 0.02 0.10 0.82 0.00 0.00 0.00 0.00 178.15 179.09 3i4m h ALA 64 N 0.52 3.02 0.13 1.87 0.00 -0.57 0.63 119.26 124.86 3i4m h ALA 64 Ca -0.02 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.86 3i4m h ALA 64 Cb 0.28 0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.15 3i4m h ALA 64 CO 0.03 -1.36 -0.06 1.25 0.00 0.00 0.00 179.25 179.10 3i4m h HIS 65 N 0.03 -0.17 -0.34 0.00 -0.00 -0.42 -3.21 115.15 111.05 3i4m h HIS 65 Ca 0.56 -0.00 0.06 0.00 -0.00 0.00 0.00 60.37 60.99 3i4m h HIS 65 Cb 2.15 0.06 -0.06 0.00 -0.00 0.00 0.00 27.41 29.56 3i4m h HIS 65 CO -0.00 0.30 -0.04 0.00 -0.00 0.00 0.00 177.93 178.19 3i4m h ARG 66 N -0.86 0.05 -1.40 5.26 3.08 -0.88 -0.14 114.38 119.50 3i4m h ARG 66 Ca -0.02 -0.00 0.41 0.00 0.07 0.00 0.00 59.98 60.44 3i4m h ARG 66 Cb 0.54 -0.01 -0.07 0.00 0.08 0.00 0.00 29.97 30.50 3i4m h ARG 66 CO 0.03 0.03 0.98 -0.07 -1.07 0.00 0.00 179.97 179.88 3i4m h LEU 67 N 0.05 0.09 -0.20 3.04 3.38 -1.04 0.87 115.31 121.50 3i4m h LEU 67 Ca 0.17 0.03 -0.17 0.00 0.09 0.00 0.00 57.88 58.00 3i4m h LEU 67 Cb 0.24 0.02 -0.02 0.00 0.09 0.00 0.00 40.66 40.99 3i4m h LEU 67 CO -0.31 -0.02 -0.80 1.23 0.09 0.00 0.00 178.44 178.63 3i4m h GLY 68 N 0.06 0.00 1.95 0.83 0.00 -1.02 -3.23 103.07 101.66 3i4m h GLY 68 Ca 0.71 0.00 -0.19 0.00 0.00 0.00 0.00 47.33 47.85 3i4m h GLY 68 CO -0.11 0.00 -0.91 1.41 0.00 0.00 0.00 176.54 176.94 3i4m h LEU 69 N 0.00 0.00 -8.51 3.11 4.07 0.82 -3.39 115.31 111.40 3i4m h LEU 69 Ca -0.01 0.00 -0.72 0.00 0.08 0.00 0.00 57.88 57.23 3i4m h LEU 69 Cb 1.52 0.00 -0.02 0.00 1.08 0.00 0.00 40.66 43.24 3i4m h LEU 69 CO 0.10 0.87 1.27 -0.38 -1.08 0.00 0.00 178.44 179.23 3i4m n ILE 70 N -3.30 0.15 -1.87 1.22 5.41 -0.24 -4.81 119.36 115.92 3i4m n ILE 70 Ca -0.00 -0.14 -0.42 0.00 1.00 0.00 0.00 62.75 63.19 3i4m n ILE 70 Cb 0.89 -1.21 -0.03 0.00 -0.71 0.00 0.00 39.64 38.59 3i4m n ILE 70 CO 0.00 0.00 0.00 -2.16 0.00 0.00 0.00 176.55 174.39 3i4m s PRO 71 N 5.57 4.19 0.31 0.38 0.04 -1.26 -4.68 135.00 139.54 3i4m s PRO 71 Ca 1.10 2.43 0.10 0.00 0.04 0.00 0.00 61.00 64.67 3i4m s PRO 71 Cb -1.10 -3.18 -0.05 0.00 0.04 0.00 0.00 34.50 30.21 3i4m s PRO 71 CO 0.58 -0.66 -0.03 -0.51 0.04 0.00 0.00 177.00 176.42 3i4m s LEU 72 N 1.30 2.98 0.99 -3.56 1.43 -1.25 -2.26 118.68 118.31 3i4m s LEU 72 Ca 0.72 -0.88 -0.12 0.00 -1.03 0.00 0.00 54.13 52.82 3i4m s LEU 72 Cb -0.45 -1.43 0.18 0.00 0.03 0.00 0.00 46.19 44.52 3i4m s LEU 72 CO 0.32 -0.11 1.08 -1.58 0.23 0.00 0.00 176.35 176.29 3i4m s GLN 73 N -3.67 0.49 -0.00 1.70 2.00 -0.62 -4.12 119.66 115.44 3i4m s GLN 73 Ca 0.33 0.90 0.00 0.00 -2.00 0.00 0.00 55.36 54.59 3i4m s GLN 73 Cb -0.03 -1.71 0.00 0.00 0.80 0.00 0.00 33.01 32.07 3i4m s GLN 73 CO 0.19 -2.79 0.25 -1.13 -0.50 0.00 0.00 175.29 171.30 3i4m n SER 74 N -4.27 -0.02 -0.08 6.67 3.41 -1.12 -3.29 113.62 114.91 3i4m n SER 74 Ca 0.06 -0.48 -0.06 0.00 -0.26 0.00 0.00 58.87 58.13 3i4m n SER 74 Cb 0.55 0.01 -0.00 0.00 -0.26 0.00 0.00 64.21 64.50 3i4m n SER 74 CO 0.00 0.00 0.00 -0.03 -0.16 0.00 0.00 175.04 174.85 3i4m h MET 75 N 0.01 0.04 0.00 4.33 -1.53 -1.47 -3.34 114.93 112.96 3i4m h MET 75 Ca -0.01 -0.00 0.00 0.00 -3.44 0.00 0.00 59.70 56.25 3i4m h MET 75 Cb 0.74 -0.01 0.00 0.00 -0.55 0.00 0.00 31.60 31.78 3i4m h MET 75 CO -0.00 0.02 0.00 -0.25 0.14 0.00 0.00 176.91 176.82 3i4m n ASP 76 N -5.22 0.00 0.00 1.39 8.00 -1.11 -4.81 116.55 114.80 3i4m n ASP 76 Ca 0.00 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.50 3i4m n ASP 76 Cb 0.17 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.27 3i4m n ASP 76 CO 0.00 0.00 0.00 -0.38 -0.39 0.00 0.00 177.20 176.43 3i4m n ILE 77 N -0.50 0.00 0.00 0.53 2.08 -1.26 -4.36 119.36 115.86 3i4m n ILE 77 Ca 0.00 0.00 0.00 0.00 0.56 0.00 0.00 62.75 63.31 3i4m n ILE 77 Cb 0.00 0.00 0.00 0.00 -0.75 0.00 0.00 39.64 38.89 3i4m n ILE 77 CO 0.00 0.00 0.00 -0.62 0.56 0.00 0.00 176.55 176.49 3i4m n GLU 78 N 0.00 0.00 -2.42 0.38 -0.58 -1.26 0.94 120.64 117.70 3i4m n GLU 78 Ca 0.00 0.12 -0.25 0.00 -0.42 0.00 0.00 57.16 56.61 3i4m n GLU 78 Cb 0.00 -1.83 0.01 0.00 -0.57 0.00 0.00 31.44 29.05 3i4m n GLU 78 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 3i4m n GLN 79 N -1.08 3.32 -2.89 3.49 10.64 -1.26 -4.83 117.38 124.76 3i4m n GLN 79 Ca 0.00 -4.38 -0.02 0.00 -1.83 0.00 0.00 57.00 50.77 3i4m n GLN 79 Cb 0.33 -2.19 0.00 0.00 -0.86 0.00 0.00 30.24 27.52 3i4m n GLN 79 CO 0.00 0.00 0.00 -1.17 -1.83 0.00 0.00 177.06 174.06 3i4m s LEU 80 N -3.53 -1.41 0.73 2.61 2.96 0.27 -5.05 118.68 115.26 3i4m s LEU 80 Ca 0.47 -1.35 -0.16 0.00 -0.22 0.00 0.00 54.13 52.86 3i4m s LEU 80 Cb 0.40 1.83 -0.05 0.00 0.50 0.00 0.00 46.19 48.87 3i4m s LEU 80 CO -0.14 -0.08 0.40 -0.62 -1.32 0.00 0.00 176.35 174.58 3i4m n GLU 81 N 3.40 0.24 -1.84 1.98 1.02 -1.15 -4.78 120.64 119.49 3i4m n GLU 81 Ca 0.15 0.11 -0.42 0.00 -0.02 0.00 0.00 57.16 56.99 3i4m n GLU 81 Cb 0.57 -1.71 -0.03 0.00 -0.02 0.00 0.00 31.44 30.25 3i4m n GLU 81 CO 0.00 0.00 0.00 0.71 1.18 0.00 0.00 177.13 179.02 3i4m s TYR 82 N -1.94 1.80 0.29 -0.32 1.51 -1.26 -4.33 117.35 113.09 3i4m s TYR 82 Ca 0.63 -0.05 0.11 0.00 -1.01 0.00 0.00 57.07 56.74 3i4m s TYR 82 Cb -0.35 -4.07 0.92 0.00 -0.11 0.00 0.00 41.96 38.35 3i4m s TYR 82 CO 0.60 -4.59 1.33 -1.13 -1.11 0.00 0.00 175.55 170.66 3i4m n SER 83 N 6.92 0.12 -0.33 2.29 3.41 -1.26 0.63 113.62 125.41 3i4m n SER 83 Ca 0.18 1.42 0.04 0.00 -0.26 0.00 0.00 58.87 60.25 3i4m n SER 83 Cb 0.41 -0.61 0.19 0.00 -0.26 0.00 0.00 64.21 63.94 3i4m n SER 83 CO 0.00 0.00 0.00 0.08 -0.16 0.00 0.00 175.04 174.96 3i4m h ARG 84 N 0.00 0.88 -0.01 4.33 0.11 -1.89 -2.43 114.38 115.38 3i4m h ARG 84 Ca 0.63 -0.05 -0.25 0.00 0.10 0.00 0.00 59.98 60.40 3i4m h ARG 84 Cb 1.53 -0.20 0.02 0.00 1.11 0.00 0.00 29.97 32.42 3i4m h ARG 84 CO -0.72 0.58 -1.01 -0.44 0.10 0.00 0.00 179.97 178.49 3i4m h ASP 85 N 0.90 0.81 -3.45 0.08 3.32 -0.16 -3.46 116.42 114.46 3i4m h ASP 85 Ca 0.44 -0.65 -0.53 0.00 0.02 0.00 0.00 57.03 56.31 3i4m h ASP 85 Cb 0.39 -0.25 0.21 0.00 0.22 0.00 0.00 39.33 39.90 3i4m h ASP 85 CO -0.25 1.45 -0.48 0.00 -1.72 0.00 0.00 179.24 178.24 3i4m n PHE 87 N -3.47 0.17 -1.88 0.00 3.01 -1.26 -4.92 117.46 109.10 3i4m n PHE 87 Ca 0.08 0.05 -0.42 0.00 1.01 0.00 0.00 57.45 58.16 3i4m n PHE 87 Cb 0.53 -0.35 -0.03 0.00 -0.01 0.00 0.00 39.48 39.62 3i4m n PHE 87 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 3i4m n GLU 89 N 6.54 0.47 0.00 0.00 2.13 -1.26 -3.37 120.64 125.14 3i4m n GLU 89 Ca 0.17 -0.20 0.00 0.00 0.66 0.00 0.00 57.16 57.80 3i4m n GLU 89 Cb 0.41 -2.55 0.00 0.00 0.27 0.00 0.00 31.44 29.57 3i4m n GLU 89 CO 0.00 0.00 0.00 -3.47 -0.41 0.00 0.00 177.13 173.25 3i4m n ASP 90 N 13.27 0.00 -3.75 4.31 2.03 -1.26 -4.97 116.55 126.18 3i4m n ASP 90 Ca 0.53 0.00 -0.07 0.00 0.52 0.00 0.00 54.79 55.77 3i4m n ASP 90 Cb 0.31 0.00 -0.02 0.00 -0.72 0.00 0.00 41.12 40.69 3i4m n ASP 90 CO 0.00 0.00 0.00 -1.38 -1.92 0.00 0.00 177.20 173.90 3i4m s HIS 91 N 0.00 -0.24 0.09 -0.67 -3.43 -1.22 -4.86 115.29 104.97 3i4m s HIS 91 Ca 0.00 -0.13 -0.27 0.00 -0.80 0.00 0.00 55.06 53.86 3i4m s HIS 91 Cb 0.00 0.66 0.09 0.00 -1.43 0.00 0.00 32.58 31.90 3i4m s HIS 91 CO 0.00 -1.04 1.10 0.00 -2.00 0.00 0.00 174.74 172.80 3i4m h ASP 93 N 2.00 0.00 1.10 0.00 3.32 -1.91 0.71 116.42 121.63 3i4m h ASP 93 Ca -0.27 0.00 -0.08 0.00 0.02 0.00 0.00 57.03 56.71 3i4m h ASP 93 Cb 1.22 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.76 3i4m h ASP 93 CO 0.28 0.00 -0.37 0.11 -1.72 0.00 0.00 179.24 177.54 3i4m h LYS 94 N 0.00 0.00 0.00 3.56 1.57 -1.93 -3.37 116.57 116.40 3i4m h LYS 94 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 3i4m h LYS 94 Cb 0.52 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.83 3i4m h LYS 94 CO 0.00 0.37 -0.95 0.00 -0.57 0.00 0.00 179.45 178.29 3i4m s SER 96 N -2.22 0.15 -0.10 0.00 1.04 0.19 -4.20 113.70 108.57 3i4m s SER 96 Ca 0.00 -1.01 0.02 0.00 0.48 0.00 0.00 55.95 55.43 3i4m s SER 96 Cb 0.00 0.38 -0.02 0.00 0.10 0.00 0.00 66.02 66.48 3i4m s SER 96 CO 0.00 -0.83 -0.15 -0.69 0.98 0.00 0.00 173.24 172.56 3i4m s VAL 97 N -4.00 2.96 -0.09 5.02 1.01 -0.77 -4.03 120.40 120.50 3i4m s VAL 97 Ca 0.20 -0.72 -0.02 0.00 0.00 0.00 0.00 61.98 61.45 3i4m s VAL 97 Cb 0.05 -2.21 -0.03 0.00 0.00 0.00 0.00 36.38 34.19 3i4m s VAL 97 CO 0.01 0.55 -0.01 -0.69 0.00 0.00 0.00 175.10 174.96 3i4m s VAL 98 N -0.01 4.25 0.17 2.92 1.01 -1.26 -0.94 120.40 126.54 3i4m s VAL 98 Ca -0.04 -0.27 0.07 0.00 0.00 0.00 0.00 61.98 61.74 3i4m s VAL 98 Cb -0.14 -2.79 -0.04 0.00 0.00 0.00 0.00 36.38 33.41 3i4m s VAL 98 CO 0.04 0.60 -0.15 -0.76 0.00 0.00 0.00 175.10 174.83 3i4m s LEU 99 N -0.79 2.50 0.48 3.92 1.43 0.51 -0.65 118.68 126.07 3i4m s LEU 99 Ca 0.12 -0.94 0.04 0.00 -1.03 0.00 0.00 54.13 52.32 3i4m s LEU 99 Cb -0.11 -0.66 -0.03 0.00 0.03 0.00 0.00 46.19 45.42 3i4m s LEU 99 CO 0.02 -0.15 0.09 -0.89 0.23 0.00 0.00 176.35 175.65 3i4m s THR 100 N -2.63 1.61 -0.30 5.49 2.01 -0.09 -0.68 115.64 121.05 3i4m s THR 100 Ca 0.18 -1.88 -0.18 0.00 0.31 0.00 0.00 61.69 60.12 3i4m s THR 100 Cb -0.02 -2.49 0.19 0.00 0.01 0.00 0.00 72.50 70.19 3i4m s THR 100 CO 0.05 0.00 1.23 -0.22 -0.69 0.00 0.00 174.62 175.00 3i4m s LEU 101 N -3.90 -0.16 -0.06 4.42 2.96 -1.25 -1.79 118.68 118.90 3i4m s LEU 101 Ca 0.22 0.22 -0.05 0.00 -0.22 0.00 0.00 54.13 54.30 3i4m s LEU 101 Cb 0.03 1.18 0.02 0.00 0.50 0.00 0.00 46.19 47.92 3i4m s LEU 101 CO 0.12 -0.03 0.16 -1.10 -1.32 0.00 0.00 176.35 174.18 3i4m s GLN 102 N 2.00 0.18 -0.01 1.98 -0.21 -1.25 -1.52 119.66 120.82 3i4m s GLN 102 Ca -0.01 0.23 -0.06 0.00 0.02 0.00 0.00 55.36 55.54 3i4m s GLN 102 Cb -0.02 0.08 0.00 0.00 1.00 0.00 0.00 33.01 34.07 3i4m s GLN 102 CO -0.16 -0.03 0.12 0.00 -2.12 0.00 0.00 175.29 173.10 3i4m s ALA 103 N 0.14 -0.28 0.02 6.09 0.00 -1.06 -4.99 121.76 121.67 3i4m s ALA 103 Ca -0.00 -0.03 -0.01 0.00 0.00 0.00 0.00 51.96 51.92 3i4m s ALA 103 Cb -0.02 0.01 -0.02 0.00 0.00 0.00 0.00 23.12 23.10 3i4m s ALA 103 CO -0.00 -0.16 -0.01 0.12 0.00 0.00 0.00 175.76 175.71 3i4m s PHE 104 N -0.94 0.21 -1.38 0.00 5.99 -1.26 -2.19 117.98 118.41 3i4m s PHE 104 Ca -0.10 -0.43 -0.09 0.00 0.00 0.00 0.00 56.93 56.31 3i4m s PHE 104 Cb -0.06 -0.16 0.09 0.00 0.00 0.00 0.00 43.02 42.90 3i4m s PHE 104 CO 0.01 -0.18 2.26 0.41 -0.00 0.00 0.00 175.22 177.72 3i4m n GLY 105 N 1.76 4.76 0.22 13.12 0.00 -0.98 -4.68 105.19 119.39 3i4m n GLY 105 Ca -0.23 -1.90 -0.12 0.00 0.00 0.00 0.00 46.02 43.77 3i4m n GLY 105 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 3i4m h GLU 106 N 5.34 -0.45 -5.62 1.61 3.07 -1.82 -3.39 114.58 113.32 3i4m h GLU 106 Ca 0.59 0.03 -0.41 0.00 -0.50 0.00 0.00 59.36 59.07 3i4m h GLU 106 Cb 0.48 0.10 0.00 0.00 -0.84 0.00 0.00 28.75 28.50 3i4m h GLU 106 CO 1.66 -0.13 1.40 -1.54 -1.40 0.00 0.00 179.01 178.99 3i4m s SER 107 N -5.05 4.46 -0.49 1.42 1.04 -1.26 -4.70 113.70 109.11 3i4m s SER 107 Ca -0.13 0.85 -0.06 0.00 0.48 0.00 0.00 55.95 57.09 3i4m s SER 107 Cb 0.01 -2.51 -0.05 0.00 0.10 0.00 0.00 66.02 63.57 3i4m s SER 107 CO 0.46 -2.96 1.62 1.21 0.98 0.00 0.00 173.24 174.55 3i4m n GLU 108 N 9.01 1.09 -2.67 4.02 2.13 -1.26 -3.69 120.64 129.26 3i4m n GLU 108 Ca 0.36 -1.07 -0.03 0.00 0.66 0.00 0.00 57.16 57.08 3i4m n GLU 108 Cb 0.53 -2.30 0.04 0.00 0.27 0.00 0.00 31.44 29.98 3i4m n GLU 108 CO 0.00 0.00 0.00 -1.13 -0.41 0.00 0.00 177.13 175.59 3i4m n SER 109 N 5.00 -1.36 -3.11 4.31 3.41 -1.26 -5.03 113.62 115.57 3i4m n SER 109 Ca 0.27 -1.06 -0.00 0.00 -0.26 0.00 0.00 58.87 57.81 3i4m n SER 109 Cb 0.11 0.70 -0.00 0.00 -0.26 0.00 0.00 64.21 64.76 3i4m n SER 109 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 175.04 175.29 3i4m n THR 110 N 2.35 -2.82 -3.26 6.66 -1.04 -1.24 -4.93 114.28 110.01 3i4m n THR 110 Ca 0.09 0.54 -0.38 0.00 -2.04 0.00 0.00 64.05 62.26 3i4m n THR 110 Cb 0.66 -3.27 -0.06 0.00 -1.82 0.00 0.00 70.33 65.84 3i4m n THR 110 CO 0.00 0.00 0.00 -0.89 -0.64 0.00 0.00 175.07 173.54 3i4m s THR 111 N -0.78 5.14 0.02 12.58 2.01 -0.95 -4.94 115.64 128.72 3i4m s THR 111 Ca -0.01 1.02 -0.02 0.00 0.31 0.00 0.00 61.69 62.99 3i4m s THR 111 Cb 0.00 -3.86 -0.04 0.00 0.01 0.00 0.00 72.50 68.61 3i4m s THR 111 CO 0.08 0.27 0.21 0.20 -0.69 0.00 0.00 174.62 174.69 3i4m s ASN 112 N 0.79 6.39 -0.19 3.53 0.02 -1.26 -2.73 114.94 121.49 3i4m s ASN 112 Ca 0.27 0.36 -0.06 0.00 -1.02 0.00 0.00 52.86 52.41 3i4m s ASN 112 Cb -0.15 -2.00 -0.03 0.00 0.02 0.00 0.00 41.25 39.08 3i4m s ASN 112 CO 0.11 0.22 0.01 -0.69 0.02 0.00 0.00 177.10 176.78 3i4m s VAL 113 N -1.39 4.17 0.14 1.60 1.01 -0.21 -5.01 120.40 120.71 3i4m s VAL 113 Ca 0.30 -0.24 0.08 0.00 0.00 0.00 0.00 61.98 62.12 3i4m s VAL 113 Cb -0.13 -2.88 -0.04 0.00 0.00 0.00 0.00 36.38 33.33 3i4m s VAL 113 CO 0.21 0.44 -0.18 -0.31 0.00 0.00 0.00 175.10 175.26 3i4m s TYR 114 N 0.80 1.73 0.46 5.22 1.51 -1.26 0.24 117.35 126.05 3i4m s TYR 114 Ca 0.01 -0.47 0.22 0.00 -1.01 0.00 0.00 57.07 55.83 3i4m s TYR 114 Cb -0.14 -0.89 1.22 0.00 -0.11 0.00 0.00 41.96 42.04 3i4m s TYR 114 CO 0.02 0.26 1.85 0.66 -1.11 0.00 0.00 175.55 177.23 3i4m h SER 115 N 3.54 0.28 -0.79 2.29 4.64 -0.72 0.30 113.55 123.09 3i4m h SER 115 Ca -0.43 0.03 0.14 0.00 -0.47 0.00 0.00 61.79 61.07 3i4m h SER 115 Cb 1.20 -0.02 -0.05 0.00 -0.31 0.00 0.00 62.40 63.22 3i4m h SER 115 CO 0.48 0.10 0.52 0.07 -0.87 0.00 0.00 176.83 177.12 3i4m h LYS 116 N 0.27 0.48 0.00 4.77 2.10 -1.68 -1.83 116.57 120.68 3i4m h LYS 116 Ca 0.47 -0.03 0.00 0.00 -2.00 0.00 0.00 60.65 59.09 3i4m h LYS 116 Cb 1.40 -0.11 0.00 0.00 -0.90 0.00 0.00 32.23 32.62 3i4m h LYS 116 CO -0.14 0.32 0.00 -0.25 -2.00 0.00 0.00 179.45 177.38 3i4m n ASP 117 N -4.50 0.47 -4.69 7.07 8.00 0.10 -4.76 116.55 118.24 3i4m n ASP 117 Ca 0.15 0.66 -0.34 0.00 0.71 0.00 0.00 54.79 55.97 3i4m n ASP 117 Cb 0.50 -0.74 0.11 0.00 -0.02 0.00 0.00 41.12 40.97 3i4m n ASP 117 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 3i4m n LEU 118 N -2.07 4.58 -3.68 0.64 4.77 -0.69 -4.68 117.00 115.87 3i4m n LEU 118 Ca 0.01 0.64 -0.28 0.00 -0.03 0.00 0.00 56.01 56.35 3i4m n LEU 118 Cb 0.12 -1.50 -0.16 0.00 -2.33 0.00 0.00 43.42 39.55 3i4m n LEU 118 CO 0.13 -1.62 -0.35 -0.69 -1.33 0.00 0.00 177.39 173.53 3i4m s VAL 119 N -1.94 0.42 -0.02 4.08 1.01 -0.74 -4.87 120.40 118.36 3i4m s VAL 119 Ca 0.75 -0.74 -0.30 0.00 0.00 0.00 0.00 61.98 61.69 3i4m s VAL 119 Cb -0.32 -1.11 -0.08 0.00 0.00 0.00 0.00 36.38 34.87 3i4m s VAL 119 CO 0.49 -0.42 1.93 -0.63 0.00 0.00 0.00 175.10 176.47 3i4m s ILE 120 N 1.88 3.14 -0.26 2.22 1.01 -1.26 -0.92 121.20 127.02 3i4m s ILE 120 Ca 0.04 0.16 -0.06 0.00 0.00 0.00 0.00 60.65 60.78 3i4m s ILE 120 Cb -0.17 -3.11 -0.13 0.00 0.01 0.00 0.00 42.46 39.05 3i4m s ILE 120 CO -0.17 -0.02 -0.28 0.52 0.00 0.00 0.00 174.94 174.98 3i4m n VAL 121 N 5.81 1.42 -1.30 2.92 0.31 0.17 -4.96 118.33 122.71 3i4m n VAL 121 Ca 0.20 -0.44 -0.33 0.00 -0.01 0.00 0.00 64.34 63.76 3i4m n VAL 121 Cb 0.42 -1.64 0.10 0.00 -0.91 0.00 0.00 33.84 31.81 3i4m n VAL 121 CO 0.00 0.00 0.00 -0.94 -1.32 0.00 0.00 176.83 174.57 3i4m s SER 122 N -6.92 4.09 -0.02 4.52 1.04 -1.23 -4.87 113.70 110.31 3i4m s SER 122 Ca -0.35 2.20 -0.30 0.00 0.48 0.00 0.00 55.95 57.98 3i4m s SER 122 Cb 0.12 -2.57 -0.08 0.00 0.10 0.00 0.00 66.02 63.59 3i4m s SER 122 CO 0.51 -2.32 1.96 0.21 0.98 0.00 0.00 173.24 174.58 3i4m s ASN 123 N -2.43 6.32 0.00 7.02 2.47 -1.26 -4.79 114.94 122.27 3i4m s ASN 123 Ca 0.70 2.48 0.09 0.00 0.42 0.00 0.00 52.86 56.55 3i4m s ASN 123 Cb -0.25 -2.53 0.54 0.00 -1.45 0.00 0.00 41.25 37.56 3i4m s ASN 123 CO 0.49 -1.18 0.97 -0.11 -3.72 0.00 0.00 177.10 173.55 3i4m n LEU 124 N 8.14 0.00 0.00 3.21 0.00 -1.26 -4.76 117.00 122.34 3i4m n LEU 124 Ca 0.21 0.00 0.00 0.00 0.00 0.00 0.00 56.01 56.22 3i4m n LEU 124 Cb 0.42 0.00 0.00 0.00 0.00 0.00 0.00 43.42 43.84 3i4m n LEU 124 CO 0.67 0.00 0.00 0.23 0.00 0.00 0.00 177.39 178.29 3i4m n MET 125 N -0.80 -1.12 -2.26 1.96 2.81 -1.26 -2.75 117.12 113.71 3i4m n MET 125 Ca 0.07 0.17 -0.00 0.00 -1.81 0.00 0.00 57.70 56.12 3i4m n MET 125 Cb 0.03 -3.62 0.00 0.00 -0.71 0.00 0.00 33.22 28.92 3i4m n MET 125 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 3i4m n GLY 126 N -0.02 -3.63 0.00 3.03 0.00 -1.26 -5.09 105.19 98.22 3i4m n GLY 126 Ca 0.00 0.22 0.00 0.00 0.00 0.00 0.00 46.02 46.24 3i4m n GLY 126 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 3i4m n ARG 127 N 0.40 0.00 -1.53 1.61 1.85 -1.11 -5.09 116.66 112.79 3i4m n ARG 127 Ca 0.00 0.00 -0.38 0.00 -1.00 0.00 0.00 57.85 56.47 3i4m n ARG 127 Cb 0.01 0.00 -0.08 0.00 -1.05 0.00 0.00 32.46 31.34 3i4m n ARG 127 CO 0.00 0.00 0.00 -1.71 -0.01 0.00 0.00 177.63 175.91 3i4m n ASN 128 N 0.00 1.40 -3.64 2.89 2.85 -1.26 -4.82 115.26 112.68 3i4m n ASN 128 Ca 0.00 -0.19 -0.06 0.00 -0.11 0.00 0.00 54.58 54.22 3i4m n ASN 128 Cb 0.00 -1.28 -0.07 0.00 1.24 0.00 0.00 39.78 39.67 3i4m n ASN 128 CO 0.00 0.00 0.00 -0.63 -2.11 0.00 0.00 177.26 174.52 3i4m s ILE 129 N 10.74 0.00 0.00 -1.44 1.01 -1.26 -2.65 121.20 127.60 3i4m s ILE 129 Ca 1.15 0.00 0.00 0.00 0.00 0.00 0.00 60.65 61.80 3i4m s ILE 129 Cb -0.67 -1.00 0.00 0.00 0.01 0.00 0.00 42.46 40.80 3i4m s ILE 129 CO 0.37 0.00 0.00 0.61 0.00 0.00 0.00 174.94 175.92 3i4m n GLY 130 N 2.83 1.13 3.60 6.18 0.00 -1.21 -4.87 105.19 112.86 3i4m n GLY 130 Ca -0.15 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.44 3i4m n GLY 130 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3i4m s HIS 131 N -2.54 3.06 -0.36 1.61 3.76 -1.26 -4.50 115.29 115.06 3i4m s HIS 131 Ca 0.00 0.79 -0.08 0.00 -0.15 0.00 0.00 55.06 55.62 3i4m s HIS 131 Cb 0.00 -3.70 -0.09 0.00 1.11 0.00 0.00 32.58 29.90 3i4m s HIS 131 CO 0.00 -0.86 1.40 -2.30 -0.85 0.00 0.00 174.74 172.13 3i4m n PRO 132 N 6.85 0.04 -0.90 8.40 -0.02 -1.26 -1.59 135.00 146.52 3i4m n PRO 132 Ca 0.08 -0.47 -0.35 0.00 -2.02 0.00 0.00 63.50 60.74 3i4m n PRO 132 Cb 0.48 -1.84 -0.05 0.00 -0.02 0.00 0.00 33.50 32.06 3i4m n PRO 132 CO 0.00 0.00 0.00 -0.89 1.98 0.00 0.00 175.50 176.59 3i4m n ILE 133 N 5.88 0.00 -4.54 4.25 2.08 -0.96 -4.83 119.36 121.25 3i4m n ILE 133 Ca 0.16 0.00 -0.31 0.00 0.56 0.00 0.00 62.75 63.16 3i4m n ILE 133 Cb 0.47 -0.26 -0.17 0.00 -0.75 0.00 0.00 39.64 38.94 3i4m n ILE 133 CO 0.00 0.00 0.00 -0.63 0.56 0.00 0.00 176.55 176.48 3i4m s ILE 134 N 1.56 1.87 -0.13 1.39 1.01 -1.26 -4.84 121.20 120.80 3i4m s ILE 134 Ca 0.54 -0.86 0.17 0.00 0.00 0.00 0.00 60.65 60.50 3i4m s ILE 134 Cb -0.77 -1.67 0.41 0.00 0.01 0.00 0.00 42.46 40.44 3i4m s ILE 134 CO 0.42 0.51 1.20 0.00 0.00 0.00 0.00 174.94 177.07 3i4m n GLN 135 N 4.18 0.96 -2.08 2.79 6.02 -1.26 -5.04 117.38 122.94 3i4m n GLN 135 Ca -0.20 -2.76 -0.31 0.00 -0.01 0.00 0.00 57.00 53.73 3i4m n GLN 135 Cb 0.51 -0.99 -0.00 0.00 1.02 0.00 0.00 30.24 30.78 3i4m n GLN 135 CO 0.00 0.00 0.00 0.34 -1.01 0.00 0.00 177.06 176.39 3i4m s ASP 136 N -2.72 6.35 -0.07 1.08 -1.08 -1.26 -5.00 116.67 113.97 3i4m s ASP 136 Ca 0.36 1.44 -0.08 0.00 -0.52 0.00 0.00 52.55 53.74 3i4m s ASP 136 Cb 0.37 -2.47 -0.05 0.00 -1.46 0.00 0.00 42.92 39.31 3i4m s ASP 136 CO -0.10 -0.76 0.33 0.11 0.52 0.00 0.00 175.17 175.26 3i4m h LYS 137 N 0.10 -0.22 0.00 4.34 1.57 -2.01 -3.30 116.57 117.05 3i4m h LYS 137 Ca -0.45 0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.34 3i4m h LYS 137 Cb 1.19 0.05 0.00 0.00 0.08 0.00 0.00 32.23 33.55 3i4m h LYS 137 CO 0.62 -0.08 0.00 0.39 -0.57 0.00 0.00 179.45 179.81 3i4m n GLU 138 N -4.92 1.00 -2.78 3.15 4.71 -1.26 -4.90 120.64 115.63 3i4m n GLU 138 Ca -0.04 0.00 -0.11 0.00 -0.01 0.00 0.00 57.16 57.01 3i4m n GLU 138 Cb 0.12 -1.09 0.05 0.00 -1.01 0.00 0.00 31.44 29.52 3i4m n GLU 138 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 3i4m n GLY 139 N 0.58 -0.42 0.00 0.62 0.00 -1.24 -4.97 105.19 99.76 3i4m n GLY 139 Ca 0.04 0.22 0.00 0.00 0.00 0.00 0.00 46.02 46.28 3i4m n GLY 139 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3i4m n ASN 140 N -2.64 3.11 -1.49 1.61 3.02 -1.26 -4.92 115.26 112.69 3i4m n ASN 140 Ca -0.09 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.46 3i4m n ASN 140 Cb 0.59 0.10 0.00 0.00 -0.61 0.00 0.00 39.78 39.86 3i4m n ASN 140 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3i4m n GLY 141 N 2.78 0.00 2.82 7.41 0.00 -1.26 -2.86 105.19 114.08 3i4m n GLY 141 Ca 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.01 3i4m n GLY 141 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 3i4m n VAL 142 N 0.94-10.08 -1.97 1.61 0.31 -1.26 -2.01 118.33 105.87 3i4m n VAL 142 Ca 0.00 1.55 -0.42 0.00 -0.01 0.00 0.00 64.34 65.47 3i4m n VAL 142 Cb 0.00 -6.19 -0.03 0.00 -0.91 0.00 0.00 33.84 26.72 3i4m n VAL 142 CO 0.00 0.00 0.00 -0.22 -1.32 0.00 0.00 176.83 175.29 3i4m s LEU 143 N -1.56 3.46 0.01 7.52 2.96 -1.26 -1.78 118.68 128.03 3i4m s LEU 143 Ca 0.01 1.15 -0.10 0.00 -0.22 0.00 0.00 54.13 54.98 3i4m s LEU 143 Cb -0.00 -3.30 -0.06 0.00 0.50 0.00 0.00 46.19 43.33 3i4m s LEU 143 CO 0.64 -1.88 0.88 0.40 -1.32 0.00 0.00 176.35 175.06 3i4m h ILE 144 N 6.87 0.00 -2.56 6.68 2.04 -0.52 -3.49 117.51 126.53 3i4m h ILE 144 Ca -0.32 -0.10 0.14 0.00 1.00 0.00 0.00 64.86 65.58 3i4m h ILE 144 Cb 1.17 0.00 -0.07 0.00 -0.74 0.00 0.00 36.82 37.18 3i4m h ILE 144 CO 1.07 0.00 0.40 0.00 0.00 0.00 0.00 178.15 179.61 3i4m s LYS 146 N -3.49 2.32 0.05 0.00 1.02 -1.26 -1.04 119.74 117.34 3i4m s LYS 146 Ca 0.11 -1.69 -0.27 0.00 0.02 0.00 0.00 55.97 54.15 3i4m s LYS 146 Cb -0.03 -2.11 0.08 0.00 -0.52 0.00 0.00 37.83 35.25 3i4m s LYS 146 CO 0.03 -0.04 0.68 -0.48 -0.92 0.00 0.00 175.35 174.62 3i4m s LEU 147 N -3.91 -0.57 0.00 3.17 2.34 -1.10 -4.63 118.68 113.98 3i4m s LEU 147 Ca 0.41 0.27 0.00 0.00 0.06 0.00 0.00 54.13 54.87 3i4m s LEU 147 Cb 0.00 2.48 0.00 0.00 -0.56 0.00 0.00 46.19 48.11 3i4m s LEU 147 CO 0.23 -0.77 0.00 -1.14 -1.06 0.00 0.00 176.35 173.61 3i4m n ARG 148 N 0.14 0.00 0.00 1.48 0.63 -1.26 -2.24 116.66 115.41 3i4m n ARG 148 Ca -0.16 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.77 3i4m n ARG 148 Cb 0.61 0.00 0.00 0.00 0.45 0.00 0.00 32.46 33.52 3i4m n ARG 148 CO 0.00 0.00 0.00 1.63 -2.51 0.00 0.00 177.63 176.75 3i4m n LYS 149 N 0.00 0.00 -0.49 -0.14 5.02 -1.26 -3.98 118.16 117.31 3i4m n LYS 149 Ca 0.00 0.00 -0.09 0.00 -2.02 0.00 0.00 58.31 56.20 3i4m n LYS 149 Cb 0.00 -0.41 0.06 0.00 -0.02 0.00 0.00 35.03 34.66 3i4m n LYS 149 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3i4m n GLY 150 N 0.18 3.00 3.71 0.72 0.00 -1.26 -2.31 105.19 109.22 3i4m n GLY 150 Ca 0.00 -0.44 -0.42 0.00 0.00 0.00 0.00 46.02 45.16 3i4m n GLY 150 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3i4m s GLN 151 N -1.25 4.47 0.10 1.61 -1.52 -1.26 -4.85 119.66 116.96 3i4m s GLN 151 Ca 0.22 1.66 0.06 0.00 -1.95 0.00 0.00 55.36 55.35 3i4m s GLN 151 Cb 0.18 -3.38 -0.03 0.00 -0.22 0.00 0.00 33.01 29.55 3i4m s GLN 151 CO 0.04 -0.19 -0.16 -2.00 -0.25 0.00 0.00 175.29 172.73 3i4m s GLU 152 N 1.04 1.00 -0.19 2.91 2.12 -1.26 -2.36 118.70 121.95 3i4m s GLU 152 Ca 0.57 -1.14 -0.04 0.00 0.36 0.00 0.00 54.97 54.72 3i4m s GLU 152 Cb -0.27 -1.03 0.09 0.00 0.26 0.00 0.00 34.13 33.18 3i4m s GLU 152 CO 0.29 0.22 0.27 -1.17 -0.54 0.00 0.00 175.26 174.33 3i4m s LEU 153 N -2.10 -0.29 -0.17 2.70 2.96 -0.93 -0.27 118.68 120.59 3i4m s LEU 153 Ca 0.05 0.12 0.00 0.00 -0.22 0.00 0.00 54.13 54.09 3i4m s LEU 153 Cb -0.08 0.65 0.01 0.00 0.50 0.00 0.00 46.19 47.27 3i4m s LEU 153 CO 0.03 -0.29 -0.17 -0.54 -1.32 0.00 0.00 176.35 174.06 3i4m s LYS 154 N 2.41 3.10 0.37 1.98 1.02 0.47 -2.57 119.74 126.52 3i4m s LYS 154 Ca 0.07 -0.79 0.02 0.00 0.02 0.00 0.00 55.97 55.29 3i4m s LYS 154 Cb -0.15 -2.61 -0.01 0.00 -0.52 0.00 0.00 37.83 34.54 3i4m s LYS 154 CO -0.12 -0.12 0.08 1.28 -0.92 0.00 0.00 175.35 175.56 3i4m n LEU 155 N 4.41 0.00 -3.15 3.17 4.77 -0.57 -0.26 117.00 125.37 3i4m n LEU 155 Ca -0.20 -2.67 0.04 0.00 -0.03 0.00 0.00 56.01 53.15 3i4m n LEU 155 Cb 0.51 0.68 -0.01 0.00 -2.33 0.00 0.00 43.42 42.27 3i4m n LEU 155 CO 0.27 -0.40 0.19 -0.89 -1.33 0.00 0.00 177.39 175.23 3i4m s THR 156 N -2.75 -0.92 0.06 -5.08 2.01 -1.25 -3.91 115.64 103.79 3i4m s THR 156 Ca 0.12 0.00 0.02 0.00 0.31 0.00 0.00 61.69 62.13 3i4m s THR 156 Cb 0.01 -0.97 -0.04 0.00 0.01 0.00 0.00 72.50 71.51 3i4m s THR 156 CO 0.08 0.00 0.11 0.00 -0.69 0.00 0.00 174.62 174.13 3i4m s VAL 158 N -1.38 0.95 0.18 0.00 1.01 -0.16 -0.37 120.40 120.62 3i4m s VAL 158 Ca 0.30 -2.12 -0.30 0.00 0.00 0.00 0.00 61.98 59.85 3i4m s VAL 158 Cb -0.12 -1.68 -0.07 0.00 0.00 0.00 0.00 36.38 34.50 3i4m s VAL 158 CO 0.22 -0.89 1.02 0.00 0.00 0.00 0.00 175.10 175.45 3i4m s ALA 159 N 0.76 3.33 0.42 5.51 0.00 -0.11 -3.14 121.76 128.52 3i4m s ALA 159 Ca 0.16 0.70 0.01 0.00 0.00 0.00 0.00 51.96 52.84 3i4m s ALA 159 Cb -0.23 -3.30 -0.01 0.00 0.00 0.00 0.00 23.12 19.59 3i4m s ALA 159 CO -0.03 -0.06 0.05 1.63 0.00 0.00 0.00 175.76 177.35 3i4m n LYS 160 N 2.24 0.79 0.00 0.00 5.02 -1.00 -1.84 118.16 123.37 3i4m n LYS 160 Ca 0.01 -3.20 0.00 0.00 -2.02 0.00 0.00 58.31 53.10 3i4m n LYS 160 Cb 0.47 1.20 0.00 0.00 -0.02 0.00 0.00 35.03 36.69 3i4m n LYS 160 CO 0.00 0.00 0.00 1.17 -0.52 0.00 0.00 177.40 178.05 3i4m n LYS 161 N -1.00 0.00 -0.09 1.97 3.00 -1.26 -3.20 118.16 117.59 3i4m n LYS 161 Ca -0.13 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.18 3i4m n LYS 161 Cb 0.56 0.00 -0.00 0.00 0.00 0.00 0.00 35.03 35.59 3i4m n LYS 161 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 3i4m n GLY 162 N 0.00 -2.81 3.08 3.14 0.00 -1.26 -3.69 105.19 103.64 3i4m n GLY 162 Ca 0.00 -1.32 -0.08 0.00 0.00 0.00 0.00 46.02 44.62 3i4m n GLY 162 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 3i4m s ILE 163 N -3.81 0.27 0.64 -0.61 -4.36 -1.26 -2.17 121.20 109.91 3i4m s ILE 163 Ca 0.00 -1.61 0.25 0.00 -0.26 0.00 0.00 60.65 59.03 3i4m s ILE 163 Cb 0.00 -1.24 0.27 0.00 1.25 0.00 0.00 42.46 42.74 3i4m s ILE 163 CO 0.00 -0.85 1.73 0.00 0.24 0.00 0.00 174.94 176.05 3i4m h ALA 164 N 3.50 1.73 -0.06 2.27 0.00 -0.21 0.20 119.26 126.69 3i4m h ALA 164 Ca -0.34 -0.01 -0.07 0.00 0.00 0.00 0.00 54.91 54.50 3i4m h ALA 164 Cb 1.16 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.95 3i4m h ALA 164 CO 0.60 -0.61 -0.27 0.87 0.00 0.00 0.00 179.25 179.83 3i4m h LYS 165 N 0.00 0.10 0.00 0.00 1.57 -1.77 -2.65 116.57 113.82 3i4m h LYS 165 Ca 0.08 -0.03 -0.13 0.00 -1.87 0.00 0.00 60.65 58.70 3i4m h LYS 165 Cb 1.14 -0.01 -0.02 0.00 0.08 0.00 0.00 32.23 33.42 3i4m h LYS 165 CO -0.00 0.36 -0.92 0.93 -0.57 0.00 0.00 179.45 179.26 3i4m h GLU 166 N 0.09 0.00 0.00 3.15 5.08 -0.93 -3.48 114.58 118.49 3i4m h GLU 166 Ca 0.01 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.37 3i4m h GLU 166 Cb 0.53 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.78 3i4m h GLU 166 CO 0.04 0.41 0.00 1.58 -1.00 0.00 0.00 179.01 180.04 3i4m n HIS 167 N -3.07 0.00 -0.17 4.33 -0.00 -1.00 -5.05 115.22 110.26 3i4m n HIS 167 Ca -0.03 0.00 -0.08 0.00 -0.00 0.00 0.00 57.72 57.61 3i4m n HIS 167 Cb 0.78 0.00 0.01 0.00 -0.00 0.00 0.00 29.99 30.78 3i4m n HIS 167 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 3i4m h ALA 168 N 0.00 0.63 -1.29 1.57 0.00 -1.88 -3.07 119.26 115.22 3i4m h ALA 168 Ca 0.00 -0.11 0.40 0.00 0.00 0.00 0.00 54.91 55.21 3i4m h ALA 168 Cb 0.00 -0.19 -0.08 0.00 0.00 0.00 0.00 17.79 17.51 3i4m h ALA 168 CO 0.00 0.17 0.89 0.36 0.00 0.00 0.00 179.25 180.67 3i4m n LYS 169 N -4.64 -0.01 -1.22 0.00 2.85 -1.26 0.25 118.16 114.13 3i4m n LYS 169 Ca 0.02 0.90 -0.23 0.00 -1.05 0.00 0.00 58.31 57.94 3i4m n LYS 169 Cb 0.10 -1.91 -0.00 0.00 -0.65 0.00 0.00 35.03 32.57 3i4m n LYS 169 CO 0.00 0.00 0.00 0.91 -0.05 0.00 0.00 177.40 178.26 3i4m n TRP 170 N -3.86 1.73 -3.81 5.58 8.01 -1.16 -4.82 117.44 119.11 3i4m n TRP 170 Ca 0.33 -2.05 -0.37 0.00 -1.31 0.00 0.00 57.50 54.10 3i4m n TRP 170 Cb 1.38 -1.19 -0.13 0.00 -2.01 0.00 0.00 31.31 29.36 3i4m n TRP 170 CO 0.00 0.00 0.00 0.20 -1.01 0.00 0.00 177.69 176.88 3i4m s GLY 171 N 0.07 1.76 0.16 6.99 0.00 0.69 -1.83 107.32 115.16 3i4m s GLY 171 Ca 0.47 -1.52 0.25 0.00 0.00 0.00 0.00 44.72 43.91 3i4m s GLY 171 CO -0.11 0.65 1.45 -0.56 0.00 0.00 0.00 173.10 174.52 3i4m h PRO 172 N 8.17 0.00 -0.01 2.90 0.13 -1.81 -3.41 132.00 137.98 3i4m h PRO 172 Ca -0.30 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.84 3i4m h PRO 172 Cb 1.11 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.23 3i4m h PRO 172 CO 0.59 0.00 -0.08 0.00 -0.23 0.00 0.00 178.00 178.29 3i4m h ALA 173 N 2.48 -0.52 0.00 -0.56 0.00 -1.74 -3.25 119.26 115.66 3i4m h ALA 173 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 3i4m h ALA 173 Cb 0.76 0.61 0.00 0.00 0.00 0.00 0.00 17.79 19.16 3i4m h ALA 173 CO 0.00 -0.55 0.00 0.00 0.00 0.00 0.00 179.25 178.70 3i4m n ALA 174 N -2.61 0.00 0.00 0.00 0.00 -1.26 -3.78 120.51 112.87 3i4m n ALA 174 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.43 3i4m n ALA 174 Cb 0.06 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.51 3i4m n ALA 174 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3i4m n ALA 175 N 0.00 0.00 -2.80 0.00 0.00 -1.26 -5.04 120.51 111.41 3i4m n ALA 175 Ca 0.00 0.00 -0.22 0.00 0.00 0.00 0.00 53.44 53.22 3i4m n ALA 175 Cb 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 19.44 3i4m n ALA 175 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 3i4m s ILE 176 N 0.00 5.08 0.31 0.00 1.01 -1.26 -3.80 121.20 122.54 3i4m s ILE 176 Ca 0.00 -0.77 0.08 0.00 0.00 0.00 0.00 60.65 59.96 3i4m s ILE 176 Cb 0.00 -3.82 -0.04 0.00 0.01 0.00 0.00 42.46 38.61 3i4m s ILE 176 CO 0.00 -0.41 0.12 -1.61 0.00 0.00 0.00 174.94 173.04 3i4m s GLU 177 N -4.14 2.42 -0.28 2.79 2.02 -1.23 -4.92 118.70 115.36 3i4m s GLU 177 Ca 0.37 -1.45 -0.25 0.00 0.02 0.00 0.00 54.97 53.66 3i4m s GLU 177 Cb -0.09 -2.22 0.09 0.00 0.10 0.00 0.00 34.13 32.01 3i4m s GLU 177 CO 0.32 0.21 0.86 0.12 0.02 0.00 0.00 175.26 176.78 3i4m s PHE 178 N -2.36 -0.66 -0.24 1.61 5.36 -1.25 -3.66 117.98 116.78 3i4m s PHE 178 Ca 0.36 1.60 -0.30 0.00 -0.96 0.00 0.00 56.93 57.62 3i4m s PHE 178 Cb -0.04 0.31 0.17 0.00 -0.34 0.00 0.00 43.02 43.12 3i4m s PHE 178 CO 0.22 -0.32 1.23 -2.00 -1.46 0.00 0.00 175.22 172.90 3i4m s GLU 179 N 0.33 0.25 0.08 10.12 2.12 -1.23 -4.97 118.70 125.41 3i4m s GLU 179 Ca 0.01 0.04 -0.26 0.00 0.36 0.00 0.00 54.97 55.13 3i4m s GLU 179 Cb -0.05 0.12 0.07 0.00 0.26 0.00 0.00 34.13 34.53 3i4m s GLU 179 CO -0.02 -0.08 0.64 1.52 -0.54 0.00 0.00 175.26 176.77 3i4m s TYR 180 N -1.18 -0.57 -1.19 5.30 -0.85 -1.26 -1.47 117.35 116.12 3i4m s TYR 180 Ca 0.06 0.59 -0.14 0.00 -0.52 0.00 0.00 57.07 57.05 3i4m s TYR 180 Cb -0.01 0.51 -0.01 0.00 0.38 0.00 0.00 41.96 42.83 3i4m s TYR 180 CO -0.05 -0.76 0.75 -3.47 -1.52 0.00 0.00 175.55 170.50 3i4m n ASP 181 N 0.05 -4.26 0.00 -0.18 2.03 -1.26 -4.76 116.55 108.17 3i4m n ASP 181 Ca -0.17 -0.96 0.00 0.00 0.52 0.00 0.00 54.79 54.17 3i4m n ASP 181 Cb 0.62 -3.60 0.00 0.00 -0.72 0.00 0.00 41.12 37.42 3i4m n ASP 181 CO 0.00 0.00 0.00 -0.81 -1.92 0.00 0.00 177.20 174.47 3i4m n PRO 182 N -4.13 0.00 -0.01 -0.67 -0.04 -1.26 0.63 135.00 129.51 3i4m n PRO 182 Ca -0.15 0.19 0.02 0.00 -0.04 0.00 0.00 63.50 63.52 3i4m n PRO 182 Cb 0.62 -1.75 -0.06 0.00 -0.04 0.00 0.00 33.50 32.27 3i4m n PRO 182 CO 0.00 0.00 0.00 0.91 -0.04 0.00 0.00 175.50 176.37 3i4m n TRP 183 N -1.16 0.00 -2.00 0.54 7.02 -1.26 -4.72 117.44 115.85 3i4m n TRP 183 Ca 0.00 0.00 -0.00 0.00 -1.02 0.00 0.00 57.50 56.48 3i4m n TRP 183 Cb 0.25 -0.22 0.00 0.00 -2.42 0.00 0.00 31.31 28.92 3i4m n TRP 183 CO 0.00 0.00 0.00 -1.71 -2.02 0.00 0.00 177.69 173.96 3i4m n ASN 184 N -1.91 -2.01 0.00 -0.99 5.15 0.20 -4.93 115.26 110.79 3i4m n ASN 184 Ca -0.04 -0.01 0.10 0.00 -0.60 0.00 0.00 54.58 54.03 3i4m n ASN 184 Cb 0.35 -0.59 0.51 0.00 -0.53 0.00 0.00 39.78 39.52 3i4m n ASN 184 CO 0.00 0.00 0.00 0.29 1.40 0.00 0.00 177.26 178.95 3i4m n LYS 185 N -1.08 0.25 -0.01 1.20 5.02 -1.26 -1.91 118.16 120.36 3i4m n LYS 185 Ca -0.01 0.10 0.09 0.00 -2.02 0.00 0.00 58.31 56.48 3i4m n LYS 185 Cb 0.50 -1.50 -0.16 0.00 -0.02 0.00 0.00 35.03 33.85 3i4m n LYS 185 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 3i4m n LEU 186 N -1.32 0.00 -1.08 -0.35 4.32 -1.26 -4.59 117.00 112.73 3i4m n LEU 186 Ca 0.09 0.00 -0.10 0.00 -0.02 0.00 0.00 56.01 55.98 3i4m n LEU 186 Cb 0.17 0.03 -0.01 0.00 -1.62 0.00 0.00 43.42 42.00 3i4m n LEU 186 CO 0.16 0.03 -0.12 0.29 -1.22 0.00 0.00 177.39 176.53 3i4m n LYS 187 N -2.24 -0.77 0.00 3.23 5.02 -0.80 -4.88 118.16 117.71 3i4m n LYS 187 Ca -0.05 0.51 0.00 0.00 -2.02 0.00 0.00 58.31 56.75 3i4m n LYS 187 Cb 0.57 -4.54 0.00 0.00 -0.02 0.00 0.00 35.03 31.04 3i4m n LYS 187 CO 0.00 0.00 0.00 0.72 -0.52 0.00 0.00 177.40 177.60 3i4m n HIS 188 N -3.87 0.00 -4.20 2.13 8.25 -1.26 -4.56 115.22 111.71 3i4m n HIS 188 Ca -0.11 0.00 -0.12 0.00 -0.26 0.00 0.00 57.72 57.23 3i4m n HIS 188 Cb 0.56 -0.01 -0.10 0.00 1.12 0.00 0.00 29.99 31.56 3i4m n HIS 188 CO 0.00 0.00 0.00 0.99 0.64 0.00 0.00 176.34 177.97 3i4m s THR 189 N -2.02 0.00 -0.38 1.59 2.01 -1.26 -5.09 115.64 110.49 3i4m s THR 189 Ca 0.00 -1.99 0.13 0.00 0.31 0.00 0.00 61.69 60.14 3i4m s THR 189 Cb 0.00 -2.49 0.39 0.00 0.01 0.00 0.00 72.50 70.41 3i4m s THR 189 CO 0.00 -0.00 0.86 -0.67 -0.69 0.00 0.00 174.62 174.12 3i4m n ASP 190 N -0.27 1.80 0.00 3.53 -0.08 -1.26 -5.10 116.55 115.17 3i4m n ASP 190 Ca 0.02 -3.05 0.00 0.00 -1.51 0.00 0.00 54.79 50.25 3i4m n ASP 190 Cb 0.66 -0.57 0.00 0.00 2.34 0.00 0.00 41.12 43.55 3i4m n ASP 190 CO 0.00 0.00 0.00 -1.22 0.12 0.00 0.00 177.20 176.10 3i4m n TYR 191 N 0.04 0.00 -2.71 -0.67 4.02 -1.26 -4.81 117.16 111.77 3i4m n TYR 191 Ca 0.22 0.00 -0.43 0.00 -0.01 0.00 0.00 57.90 57.68 3i4m n TYR 191 Cb 0.68 0.00 -0.03 0.00 -0.02 0.00 0.00 39.34 39.98 3i4m n TYR 191 CO 0.00 0.00 0.00 -0.46 -1.01 0.00 0.00 176.86 175.39 3i4m s TRP 192 N 0.00 3.38 0.04 -0.72 -0.00 -1.26 -5.01 118.94 115.37 3i4m s TRP 192 Ca 0.00 1.45 0.02 0.00 -0.00 0.00 0.00 56.10 57.57 3i4m s TRP 192 Cb 0.00 -3.21 -0.02 0.00 -0.00 0.00 0.00 33.47 30.24 3i4m s TRP 192 CO 0.00 -0.40 -0.08 1.52 -0.00 0.00 0.00 176.95 177.99 3i4m s TYR 193 N 2.83 0.71 -0.13 5.86 -0.85 -1.26 -4.92 117.35 119.60 3i4m s TYR 193 Ca 0.44 -0.43 -0.13 0.00 -0.52 0.00 0.00 57.07 56.42 3i4m s TYR 193 Cb -0.16 -0.43 -0.25 0.00 0.38 0.00 0.00 41.96 41.50 3i4m s TYR 193 CO 0.09 -0.06 0.41 0.93 -1.52 0.00 0.00 175.55 175.41 3i4m h GLU 194 N 4.72 0.21 0.00 -3.49 5.08 -1.98 -3.48 114.58 115.64 3i4m h GLU 194 Ca -0.35 -0.36 0.00 0.00 -1.00 0.00 0.00 59.36 57.65 3i4m h GLU 194 Cb 1.20 0.13 0.00 0.00 0.50 0.00 0.00 28.75 30.58 3i4m h GLU 194 CO 0.42 1.17 0.00 1.04 -1.00 0.00 0.00 179.01 180.64 3i4m n GLN 195 N -3.83 0.00 -3.48 2.33 3.00 -1.26 -5.07 117.38 109.07 3i4m n GLN 195 Ca -0.29 0.00 -0.39 0.00 -0.01 0.00 0.00 57.00 56.30 3i4m n GLN 195 Cb 0.93 0.00 -0.10 0.00 0.00 0.00 0.00 30.24 31.07 3i4m n GLN 195 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.06 177.40 3i4m s ASP 196 N 1.00 6.13 0.10 1.08 -1.08 -1.26 -4.96 116.67 117.68 3i4m s ASP 196 Ca 0.00 -0.07 -0.30 0.00 -0.52 0.00 0.00 52.55 51.66 3i4m s ASP 196 Cb 0.00 -2.17 -0.11 0.00 -1.46 0.00 0.00 42.92 39.18 3i4m s ASP 196 CO 0.00 -0.20 1.62 0.77 0.52 0.00 0.00 175.17 177.88 3i4m h SER 197 N 8.37 -0.88 -0.16 -0.34 4.64 -1.94 -2.05 113.55 121.18 3i4m h SER 197 Ca -0.32 0.09 0.05 0.00 -0.47 0.00 0.00 61.79 61.13 3i4m h SER 197 Cb 1.16 0.31 -0.01 0.00 -0.31 0.00 0.00 62.40 63.56 3i4m h SER 197 CO 0.63 -0.44 0.22 0.00 -0.87 0.00 0.00 176.83 176.36 3i4m h ALA 198 N -0.06 1.69 0.00 5.18 0.00 -1.93 -2.56 119.26 121.58 3i4m h ALA 198 Ca -0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 3i4m h ALA 198 Cb 0.60 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.40 3i4m h ALA 198 CO -0.10 -0.30 -0.02 0.87 0.00 0.00 0.00 179.25 179.70 3i4m h LYS 199 N 0.00 0.00 -0.82 0.00 1.57 -1.80 -3.40 116.57 112.12 3i4m h LYS 199 Ca 0.08 0.00 0.19 0.00 -1.87 0.00 0.00 60.65 59.05 3i4m h LYS 199 Cb 0.51 0.00 -0.12 0.00 0.08 0.00 0.00 32.23 32.69 3i4m h LYS 199 CO -0.00 0.00 0.27 0.93 -0.57 0.00 0.00 179.45 180.08 3i4m h GLU 200 N -0.15 0.31 -5.86 3.15 3.07 -1.46 -3.38 114.58 110.26 3i4m h GLU 200 Ca 0.00 -0.02 -0.62 0.00 -0.50 0.00 0.00 59.36 58.23 3i4m h GLU 200 Cb 0.02 -0.07 -0.12 0.00 -0.84 0.00 0.00 28.75 27.74 3i4m h GLU 200 CO 0.00 0.20 0.41 -1.58 -1.40 0.00 0.00 179.01 176.64 3i4m s TRP 201 N -5.97 3.03 0.63 4.33 0.52 -0.97 -5.04 118.94 115.47 3i4m s TRP 201 Ca -0.12 0.37 -0.18 0.00 0.02 0.00 0.00 56.10 56.19 3i4m s TRP 201 Cb 0.23 -3.61 -0.03 0.00 -1.15 0.00 0.00 33.47 28.92 3i4m s TRP 201 CO 0.77 -0.90 1.15 -2.30 0.02 0.00 0.00 176.95 175.69 3i4m n PRO 202 N 6.68 1.03 -2.22 4.98 -0.02 -1.26 -4.77 135.00 139.42 3i4m n PRO 202 Ca 0.03 0.40 -0.26 0.00 -2.02 0.00 0.00 63.50 61.65 3i4m n PRO 202 Cb 0.48 -2.37 0.12 0.00 -0.02 0.00 0.00 33.50 31.71 3i4m n PRO 202 CO 0.00 0.00 0.00 -1.14 1.98 0.00 0.00 175.50 176.34 3i4m s GLN 203 N -3.09 1.56 0.19 -0.52 0.74 -1.26 -5.09 119.66 112.18 3i4m s GLN 203 Ca 0.79 -0.53 0.11 0.00 0.05 0.00 0.00 55.36 55.78 3i4m s GLN 203 Cb -0.40 -2.11 -0.04 0.00 1.10 0.00 0.00 33.01 31.56 3i4m s GLN 203 CO 0.43 -1.67 -0.22 -1.54 -0.55 0.00 0.00 175.29 171.74 3i4m s SER 204 N -4.70 3.58 0.60 6.67 1.04 -1.26 -4.99 113.70 114.64 3i4m s SER 204 Ca 0.66 -0.81 0.29 0.00 0.48 0.00 0.00 55.95 56.57 3i4m s SER 204 Cb -0.07 -0.34 1.54 0.00 0.10 0.00 0.00 66.02 67.25 3i4m s SER 204 CO 0.47 0.12 1.96 0.50 0.98 0.00 0.00 173.24 177.27 3i4m h LYS 205 N 3.19 0.00 -0.00 4.02 3.64 -1.99 0.11 116.57 125.54 3i4m h LYS 205 Ca -0.47 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 58.91 3i4m h LYS 205 Cb 1.20 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.02 3i4m h LYS 205 CO 0.49 0.00 -0.04 0.09 -2.27 0.00 0.00 179.45 177.72 3i4m n ASN 206 N -3.65 0.23 -0.18 4.20 3.02 -1.26 -3.85 115.26 113.77 3i4m n ASN 206 Ca 0.05 -0.59 -0.08 0.00 -0.03 0.00 0.00 54.58 53.94 3i4m n ASN 206 Cb 0.54 -0.12 0.02 0.00 -0.61 0.00 0.00 39.78 39.60 3i4m n ASN 206 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3i4m h GLU 208 N 0.69 -0.50 -0.06 0.00 5.08 -1.77 -1.05 114.58 116.98 3i4m h GLU 208 Ca 0.18 0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.58 3i4m h GLU 208 Cb 0.08 0.11 0.00 0.00 0.50 0.00 0.00 28.75 29.44 3i4m h GLU 208 CO -0.03 -0.33 0.00 0.66 -1.00 0.00 0.00 179.01 178.31 3i4m n TYR 209 N -5.43 0.00 -3.69 4.33 4.02 -1.18 -4.47 117.16 110.74 3i4m n TYR 209 Ca -0.05 0.00 -0.10 0.00 -0.01 0.00 0.00 57.90 57.74 3i4m n TYR 209 Cb 0.37 -0.01 -0.10 0.00 -0.02 0.00 0.00 39.34 39.59 3i4m n TYR 209 CO 0.00 0.00 0.00 -2.00 -1.01 0.00 0.00 176.86 173.85 3i4m s GLU 210 N -1.56 0.47 -0.09 -0.72 2.12 -0.40 -5.13 118.70 113.40 3i4m s GLU 210 Ca 0.00 0.85 -0.38 0.00 0.36 0.00 0.00 54.97 55.80 3i4m s GLU 210 Cb 0.00 0.05 -0.16 0.00 0.26 0.00 0.00 34.13 34.27 3i4m s GLU 210 CO 0.00 -0.14 1.52 -0.25 -0.54 0.00 0.00 175.26 175.85 3i4m n ASP 211 N 4.07 1.94 -3.65 -1.70 8.00 -1.26 -4.85 116.55 119.10 3i4m n ASP 211 Ca -0.21 1.10 -0.27 0.00 0.71 0.00 0.00 54.79 56.11 3i4m n ASP 211 Cb 0.56 -1.16 0.25 0.00 -0.02 0.00 0.00 41.12 40.75 3i4m n ASP 211 CO 0.00 0.00 0.00 -2.65 -0.39 0.00 0.00 177.20 174.16 3i4m n PRO 212 N 3.80 -3.60 0.00 -0.24 -0.02 -1.26 -4.99 135.00 128.69 3i4m n PRO 212 Ca 0.22 -1.06 0.00 0.00 -2.02 0.00 0.00 63.50 60.64 3i4m n PRO 212 Cb 0.16 -1.85 0.00 0.00 -0.02 0.00 0.00 33.50 31.79 3i4m n PRO 212 CO 0.00 0.00 0.00 -0.35 1.98 0.00 0.00 175.50 177.13 3i4m n PRO 213 N -4.45 0.00 0.00 0.52 -0.04 -1.26 -5.05 135.00 124.72 3i4m n PRO 213 Ca 0.08 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.54 3i4m n PRO 213 Cb 0.54 -0.03 0.00 0.00 -0.04 0.00 0.00 33.50 33.96 3i4m n PRO 213 CO 0.00 0.00 0.00 -1.71 -0.04 0.00 0.00 175.50 173.75 3i4m n ASN 214 N 0.00 0.00 -0.22 3.54 2.85 -1.26 -5.01 115.26 115.16 3i4m n ASN 214 Ca 0.00 0.00 -0.06 0.00 -0.11 0.00 0.00 54.58 54.41 3i4m n ASN 214 Cb 0.00 0.00 -0.05 0.00 1.24 0.00 0.00 39.78 40.97 3i4m n ASN 214 CO 0.00 0.00 0.00 -0.62 -2.11 0.00 0.00 177.26 174.53 3i4m n GLU 215 N 0.00 -0.23 0.00 1.20 1.02 -1.26 -2.66 120.64 118.71 3i4m n GLU 215 Ca 0.00 0.85 0.00 0.00 -0.02 0.00 0.00 57.16 57.99 3i4m n GLU 215 Cb 0.00 -1.25 0.00 0.00 -0.02 0.00 0.00 31.44 30.17 3i4m n GLU 215 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3i4m n GLY 216 N -1.13 -1.93 2.15 0.62 0.00 -1.26 -4.61 105.19 99.03 3i4m n GLY 216 Ca 0.01 0.40 -0.31 0.00 0.00 0.00 0.00 46.02 46.12 3i4m n GLY 216 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3i4m n ASP 217 N -1.41 -0.75 -1.11 1.61 8.00 -1.09 -4.98 116.55 116.82 3i4m n ASP 217 Ca 0.00 0.71 0.00 0.00 0.71 0.00 0.00 54.79 56.21 3i4m n ASP 217 Cb 0.00 -0.60 0.00 0.00 -0.02 0.00 0.00 41.12 40.50 3i4m n ASP 217 CO 0.00 0.00 0.00 -2.65 -0.39 0.00 0.00 177.20 174.16 3i4m n PRO 218 N 0.65 3.16 -4.87 -0.24 -0.02 -1.26 -5.02 135.00 127.39 3i4m n PRO 218 Ca 0.11 0.00 -0.33 0.00 -2.02 0.00 0.00 63.50 61.27 3i4m n PRO 218 Cb 0.15 0.00 -0.13 0.00 -0.02 0.00 0.00 33.50 33.50 3i4m n PRO 218 CO 0.00 0.00 0.00 0.12 1.98 0.00 0.00 175.50 177.60 3i4m s PHE 219 N 0.00 2.73 -0.46 6.00 5.36 -1.26 -5.08 117.98 125.27 3i4m s PHE 219 Ca 0.00 -0.22 -0.23 0.00 -0.96 0.00 0.00 56.93 55.52 3i4m s PHE 219 Cb 0.00 -1.66 0.03 0.00 -0.34 0.00 0.00 43.02 41.05 3i4m s PHE 219 CO 0.00 0.14 0.82 0.34 -1.46 0.00 0.00 175.22 175.05 3i4m s ASP 220 N -0.58 6.42 0.00 6.13 -1.08 -1.26 -4.86 116.67 121.43 3i4m s ASP 220 Ca 0.08 -0.11 0.24 0.00 -0.52 0.00 0.00 52.55 52.24 3i4m s ASP 220 Cb -0.11 -2.40 0.50 0.00 -1.46 0.00 0.00 42.92 39.45 3i4m s ASP 220 CO 0.01 -0.96 1.43 0.00 0.52 0.00 0.00 175.17 176.17 3i4m n TYR 221 N 6.83 0.24 0.45 -5.34 0.18 -1.26 -3.55 117.16 114.71 3i4m n TYR 221 Ca 0.03 -0.12 0.08 0.00 1.88 0.00 0.00 57.90 59.77 3i4m n TYR 221 Cb 0.48 0.00 0.10 0.00 -0.38 0.00 0.00 39.34 39.54 3i4m n TYR 221 CO 0.00 0.00 0.00 1.63 -2.08 0.00 0.00 176.86 176.41 3i4m n LYS 222 N 1.06 1.59 -1.67 -3.48 5.02 -1.26 -5.01 118.16 114.40 3i4m n LYS 222 Ca 0.17 -1.65 -0.45 0.00 -2.02 0.00 0.00 58.31 54.36 3i4m n LYS 222 Cb 0.52 -1.32 -0.04 0.00 -0.02 0.00 0.00 35.03 34.17 3i4m n LYS 222 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3i4m n ALA 223 N 0.91 1.42 -3.34 7.82 0.00 -1.23 -5.01 120.51 121.08 3i4m n ALA 223 Ca 0.11 0.44 0.00 0.00 0.00 0.00 0.00 53.44 53.99 3i4m n ALA 223 Cb 0.42 -2.35 0.00 0.00 0.00 0.00 0.00 19.45 17.52 3i4m n ALA 223 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 3i4m n GLN 224 N 3.18 2.31 -4.08 0.00 6.02 -1.26 -5.00 117.38 118.55 3i4m n GLN 224 Ca 0.16 0.00 -0.33 0.00 -0.01 0.00 0.00 57.00 56.82 3i4m n GLN 224 Cb 0.30 0.00 -0.15 0.00 1.02 0.00 0.00 30.24 31.40 3i4m n GLN 224 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 3i4m s ALA 225 N -2.00 2.46 0.04 -1.58 0.00 -1.26 -5.00 121.76 114.42 3i4m s ALA 225 Ca 0.00 -1.35 0.01 0.00 0.00 0.00 0.00 51.96 50.62 3i4m s ALA 225 Cb 0.00 -1.36 -0.03 0.00 0.00 0.00 0.00 23.12 21.74 3i4m s ALA 225 CO 0.00 -0.57 -0.05 -0.51 0.00 0.00 0.00 175.76 174.63 3i4m s ASP 226 N 1.27 0.56 0.02 0.00 1.01 -1.26 -4.39 116.67 113.88 3i4m s ASP 226 Ca 0.02 -0.64 0.00 0.00 0.71 0.00 0.00 52.55 52.64 3i4m s ASP 226 Cb -0.15 0.09 0.00 0.00 1.01 0.00 0.00 42.92 43.87 3i4m s ASP 226 CO -0.10 -0.33 0.00 0.41 0.21 0.00 0.00 175.17 175.36 3i4m n THR 227 N 1.18 -7.58 -4.00 -1.27 -1.04 -1.25 -4.71 114.28 95.62 3i4m n THR 227 Ca -0.21 1.56 -0.22 0.00 -2.04 0.00 0.00 64.05 63.15 3i4m n THR 227 Cb 0.56 -4.39 -0.17 0.00 -1.82 0.00 0.00 70.33 64.51 3i4m n THR 227 CO 0.00 0.00 0.00 -0.36 -0.64 0.00 0.00 175.07 174.07 3i4m s PHE 228 N -0.28 0.77 -0.80 -1.42 0.40 0.13 -4.47 117.98 112.32 3i4m s PHE 228 Ca 0.00 -0.23 -0.18 0.00 -0.60 0.00 0.00 56.93 55.92 3i4m s PHE 228 Cb 0.00 -0.76 0.14 0.00 0.51 0.00 0.00 43.02 42.91 3i4m s PHE 228 CO 0.00 -0.27 0.93 0.71 0.70 0.00 0.00 175.22 177.30 3i4m s TYR 229 N 1.36 3.18 0.46 0.36 1.51 -0.54 -2.13 117.35 121.55 3i4m s TYR 229 Ca -0.04 -1.33 0.07 0.00 -1.01 0.00 0.00 57.07 54.76 3i4m s TYR 229 Cb -0.13 -4.12 0.02 0.00 -0.11 0.00 0.00 41.96 37.62 3i4m s TYR 229 CO -0.03 -1.35 0.63 -1.64 -1.11 0.00 0.00 175.55 172.05 3i4m s MET 230 N 2.29 2.71 -0.49 -0.62 -1.94 -1.09 -3.48 119.30 116.69 3i4m s MET 230 Ca 0.23 -1.22 0.06 0.00 -1.71 0.00 0.00 55.69 53.06 3i4m s MET 230 Cb -0.12 -2.70 0.21 0.00 2.01 0.00 0.00 34.83 34.23 3i4m s MET 230 CO -0.04 -0.42 0.71 -1.71 -0.01 0.00 0.00 175.02 173.56 3i4m n ASN 231 N -1.98 -2.60 -4.62 3.03 5.15 -1.24 -2.66 115.26 110.33 3i4m n ASN 231 Ca 0.09 -2.95 -0.43 0.00 -0.60 0.00 0.00 54.58 50.69 3i4m n ASN 231 Cb 0.59 1.28 -0.03 0.00 -0.53 0.00 0.00 39.78 41.10 3i4m n ASN 231 CO 0.00 0.00 0.00 -0.69 1.40 0.00 0.00 177.26 177.97 3i4m s VAL 232 N 0.54 3.44 0.00 3.44 1.01 -1.25 -3.58 120.40 124.00 3i4m s VAL 232 Ca 0.31 0.49 0.00 0.00 0.00 0.00 0.00 61.98 62.78 3i4m s VAL 232 Cb 0.09 -3.48 0.00 0.00 0.00 0.00 0.00 36.38 32.99 3i4m s VAL 232 CO -0.14 -0.23 0.00 -0.62 0.00 0.00 0.00 175.10 174.12 3i4m n GLU 233 N 7.99 3.22 0.00 2.72 1.02 -1.25 -1.29 120.64 133.05 3i4m n GLU 233 Ca 0.22 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.36 3i4m n GLU 233 Cb 0.45 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.87 3i4m n GLU 233 CO 0.00 0.00 0.00 0.45 1.18 0.00 0.00 177.13 178.76 3i4m n SER 234 N 0.00 0.00 -0.00 1.62 2.88 -1.25 -4.59 113.62 112.29 3i4m n SER 234 Ca 0.00 0.00 0.03 0.00 -1.33 0.00 0.00 58.87 57.57 3i4m n SER 234 Cb 0.00 0.00 -0.04 0.00 -0.75 0.00 0.00 64.21 63.42 3i4m n SER 234 CO 0.00 0.00 0.00 1.33 -1.23 0.00 0.00 175.04 175.14 3i4m n VAL 235 N -0.03 0.00 0.00 2.46 0.24 -1.23 -4.90 118.33 114.87 3i4m n VAL 235 Ca 0.00 -0.31 0.00 0.00 -2.04 0.00 0.00 64.34 61.99 3i4m n VAL 235 Cb 0.00 0.89 0.00 0.00 -1.47 0.00 0.00 33.84 33.26 3i4m n VAL 235 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3i4m n GLY 236 N 1.32 1.70 0.00 7.63 0.00 -1.26 -4.96 105.19 109.61 3i4m n GLY 236 Ca 0.01 -0.51 0.00 0.00 0.00 0.00 0.00 46.02 45.52 3i4m n GLY 236 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3i4m n SER 237 N 0.00 0.00 -4.26 1.61 3.41 -1.26 -3.47 113.62 109.65 3i4m n SER 237 Ca 0.00 0.00 -0.28 0.00 -0.26 0.00 0.00 58.87 58.33 3i4m n SER 237 Cb 0.00 0.00 -0.15 0.00 -0.26 0.00 0.00 64.21 63.80 3i4m n SER 237 CO 0.00 0.00 0.00 -0.63 -0.16 0.00 0.00 175.04 174.25 3i4m s ILE 238 N -2.03 1.79 0.22 -1.33 1.01 -1.26 -2.81 121.20 116.80 3i4m s ILE 238 Ca 0.00 -1.09 -0.30 0.00 0.00 0.00 0.00 60.65 59.26 3i4m s ILE 238 Cb 0.00 -1.52 -0.10 0.00 0.01 0.00 0.00 42.46 40.86 3i4m s ILE 238 CO 0.00 0.40 1.42 -2.84 0.00 0.00 0.00 174.94 173.91 3i4m s PRO 239 N -0.82 4.30 0.51 2.79 0.02 -1.23 -4.67 135.00 135.90 3i4m s PRO 239 Ca 0.09 2.24 0.31 0.00 0.02 0.00 0.00 61.00 63.66 3i4m s PRO 239 Cb -0.09 -3.14 1.07 0.00 0.02 0.00 0.00 34.50 32.36 3i4m s PRO 239 CO 0.00 -0.39 1.21 0.28 -0.33 0.00 0.00 177.00 177.77 3i4m n VAL 240 N 2.60 0.00 0.01 3.83 0.31 -1.26 0.90 118.33 124.72 3i4m n VAL 240 Ca 0.07 1.17 -0.18 0.00 -0.01 0.00 0.00 64.34 65.39 3i4m n VAL 240 Cb 0.41 -2.03 -0.12 0.00 -0.91 0.00 0.00 33.84 31.18 3i4m n VAL 240 CO 0.00 0.00 0.00 -2.24 -1.32 0.00 0.00 176.83 173.27 3i4m h ASP 241 N 0.00 0.44 -0.90 4.52 2.03 -1.92 -3.28 116.42 117.30 3i4m h ASP 241 Ca 0.58 -0.84 0.00 0.00 -0.73 0.00 0.00 57.03 56.04 3i4m h ASP 241 Cb 2.84 -0.14 -0.04 0.00 -0.83 0.00 0.00 39.33 41.16 3i4m h ASP 241 CO -0.01 1.23 0.57 1.56 -1.03 0.00 0.00 179.24 181.57 3i4m h GLN 242 N -0.29 1.21 0.00 4.15 1.08 0.17 0.30 115.11 121.72 3i4m h GLN 242 Ca -0.09 -0.09 0.00 0.00 -1.45 0.00 0.00 58.65 57.02 3i4m h GLN 242 Cb 1.36 -0.26 0.00 0.00 -0.05 0.00 0.00 27.48 28.53 3i4m h GLN 242 CO 0.11 0.82 0.00 0.28 -0.95 0.00 0.00 178.83 179.10 3i4m n VAL 243 N -4.38 0.30 -0.01 -0.54 0.31 -0.94 0.03 118.33 113.10 3i4m n VAL 243 Ca 0.10 0.08 -0.02 0.00 -0.01 0.00 0.00 64.34 64.49 3i4m n VAL 243 Cb 0.04 -1.08 -0.01 0.00 -0.91 0.00 0.00 33.84 31.89 3i4m n VAL 243 CO 0.00 0.00 0.00 0.52 -1.32 0.00 0.00 176.83 176.03 3i4m n VAL 244 N -1.07 0.12 -0.03 2.52 0.31 0.86 -4.28 118.33 116.76 3i4m n VAL 244 Ca 0.00 -0.04 -0.13 0.00 -0.01 0.00 0.00 64.34 64.16 3i4m n VAL 244 Cb 0.00 -0.92 -0.11 0.00 -0.91 0.00 0.00 33.84 31.90 3i4m n VAL 244 CO 0.00 0.00 0.00 -0.37 -1.32 0.00 0.00 176.83 175.14 3i4m h VAL 245 N -0.03 1.54 -0.09 2.52 -1.51 -0.47 0.22 116.25 118.42 3i4m h VAL 245 Ca -0.05 -1.61 0.03 0.00 -1.23 0.00 0.00 66.70 63.83 3i4m h VAL 245 Cb 1.06 2.62 -0.00 0.00 -2.13 0.00 0.00 31.29 32.84 3i4m h VAL 245 CO -0.02 0.42 0.09 0.03 -1.23 0.00 0.00 177.57 176.87 3i4m h ARG 246 N -0.65 0.00 0.16 5.19 3.08 -0.64 2.63 114.38 124.15 3i4m h ARG 246 Ca -0.00 0.00 -0.01 0.00 0.07 0.00 0.00 59.98 60.04 3i4m h ARG 246 Cb 0.70 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.75 3i4m h ARG 246 CO 0.00 0.00 -0.08 0.78 -1.07 0.00 0.00 179.97 179.61 3i4m h GLY 247 N 0.00 -0.23 1.15 0.04 0.00 -1.52 1.00 103.07 103.51 3i4m h GLY 247 Ca 0.04 0.08 0.12 0.00 0.00 0.00 0.00 47.33 47.58 3i4m h GLY 247 CO -0.00 -0.08 0.31 -2.22 0.00 0.00 0.00 176.54 174.55 3i4m h ILE 248 N -0.76 0.69 0.00 2.60 2.04 0.32 -2.79 117.51 119.60 3i4m h ILE 248 Ca -0.02 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.84 3i4m h ILE 248 Cb 0.52 0.78 0.00 0.00 -0.74 0.00 0.00 36.82 37.38 3i4m h ILE 248 CO 0.04 0.00 -0.17 -0.78 0.00 0.00 0.00 178.15 177.24 3i4m h ASP 249 N 0.00 0.00 -0.57 1.72 3.58 0.46 -3.19 116.42 118.42 3i4m h ASP 249 Ca 0.19 0.00 0.05 0.00 0.42 0.00 0.00 57.03 57.69 3i4m h ASP 249 Cb 0.81 0.00 -0.07 0.00 1.72 0.00 0.00 39.33 41.79 3i4m h ASP 249 CO -0.00 0.32 -0.34 0.41 -2.88 0.00 0.00 179.24 176.75 3i4m n THR 250 N -3.36 -0.39 -0.08 2.25 -1.04 0.34 0.38 114.28 112.39 3i4m n THR 250 Ca -0.02 1.68 -0.04 0.00 -2.04 0.00 0.00 64.05 63.63 3i4m n THR 250 Cb 0.09 -2.10 -0.03 0.00 -1.82 0.00 0.00 70.33 66.46 3i4m n THR 250 CO 0.00 0.00 0.00 0.25 -0.64 0.00 0.00 175.07 174.68 3i4m h LEU 251 N 0.00 -0.62 -0.73 -4.42 5.85 -1.68 -1.57 115.31 112.14 3i4m h LEU 251 Ca 0.09 0.09 0.13 0.00 0.84 0.00 0.00 57.88 59.03 3i4m h LEU 251 Cb 0.23 0.26 -0.13 0.00 0.37 0.00 0.00 40.66 41.40 3i4m h LEU 251 CO -0.54 -0.10 -0.23 1.67 -0.34 0.00 0.00 178.44 178.90 3i4m n GLN 252 N -3.60 -0.12 0.00 1.25 7.27 0.16 -0.06 117.38 122.28 3i4m n GLN 252 Ca -0.00 1.13 -0.09 0.00 0.07 0.00 0.00 57.00 58.10 3i4m n GLN 252 Cb 0.10 -1.68 -0.03 0.00 2.41 0.00 0.00 30.24 31.03 3i4m n GLN 252 CO 0.00 0.00 0.00 0.87 0.07 0.00 0.00 177.06 178.00 3i4m h LYS 253 N 0.00 -0.25 0.15 3.69 1.57 -0.11 -2.14 116.57 119.47 3i4m h LYS 253 Ca 0.30 0.02 0.02 0.00 -1.87 0.00 0.00 60.65 59.12 3i4m h LYS 253 Cb 0.49 0.06 -0.04 0.00 0.08 0.00 0.00 32.23 32.81 3i4m h LYS 253 CO -0.74 -0.17 -0.43 0.87 -0.57 0.00 0.00 179.45 178.41 3i4m h LYS 254 N -0.26 -0.66 0.00 3.15 1.57 -0.22 0.25 116.57 120.39 3i4m h LYS 254 Ca 0.10 0.04 0.00 0.00 -1.87 0.00 0.00 60.65 58.92 3i4m h LYS 254 Cb 0.41 0.15 0.00 0.00 0.08 0.00 0.00 32.23 32.87 3i4m h LYS 254 CO -0.28 -0.44 0.51 0.28 -0.57 0.00 0.00 179.45 178.95 3i4m h VAL 255 N -0.68 0.00 0.03 0.50 2.07 -0.70 0.74 116.25 118.20 3i4m h VAL 255 Ca 0.01 0.00 -0.38 0.00 0.82 0.00 0.00 66.70 67.15 3i4m h VAL 255 Cb 0.70 0.23 -0.06 0.00 -1.52 0.00 0.00 31.29 30.64 3i4m h VAL 255 CO -0.23 0.00 -2.37 0.00 0.02 0.00 0.00 177.57 174.99 3i4m n ALA 256 N -1.52 1.33 -0.04 1.67 0.00 0.60 -4.07 120.51 118.49 3i4m n ALA 256 Ca -0.01 -1.01 0.24 0.00 0.00 0.00 0.00 53.44 52.66 3i4m n ALA 256 Cb 0.52 -0.23 0.71 0.00 0.00 0.00 0.00 19.45 20.46 3i4m n ALA 256 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 3i4m h SER 257 N 0.01 0.00 -0.49 0.00 4.64 0.32 1.04 113.55 119.08 3i4m h SER 257 Ca -0.54 0.00 -0.04 0.00 -0.47 0.00 0.00 61.79 60.74 3i4m h SER 257 Cb 1.95 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 64.02 3i4m h SER 257 CO -0.05 0.00 0.17 0.40 -0.87 0.00 0.00 176.83 176.48 3i4m h ILE 258 N 0.00 1.22 0.08 0.95 5.03 -1.59 -0.38 117.51 122.83 3i4m h ILE 258 Ca 0.31 -0.73 -0.00 0.00 -0.12 0.00 0.00 64.86 64.32 3i4m h ILE 258 Cb 1.47 0.77 0.00 0.00 -3.03 0.00 0.00 36.82 36.03 3i4m h ILE 258 CO -0.00 0.27 -0.04 -0.07 -0.68 0.00 0.00 178.15 177.63 3i4m h LEU 259 N 0.66 -0.09 -0.99 1.44 -0.00 0.82 -0.69 115.31 116.45 3i4m h LEU 259 Ca 0.16 -0.16 0.35 0.00 -0.00 0.00 0.00 57.88 58.23 3i4m h LEU 259 Cb 0.25 0.02 -0.16 0.00 -0.00 0.00 0.00 40.66 40.77 3i4m h LEU 259 CO -0.01 0.11 0.51 0.25 -0.00 0.00 0.00 178.44 179.29 3i4m h LEU 260 N -0.29 0.36 -0.13 1.67 5.85 -0.52 1.28 115.31 123.53 3i4m h LEU 260 Ca -0.01 0.22 -0.24 0.00 0.84 0.00 0.00 57.88 58.69 3i4m h LEU 260 Cb 0.25 0.21 0.01 0.00 0.37 0.00 0.00 40.66 41.50 3i4m h LEU 260 CO 0.02 -0.26 -0.93 0.00 -0.34 0.00 0.00 178.44 176.93 3i4m h ALA 261 N 1.91 0.28 0.00 1.25 0.00 -0.56 -1.96 119.26 120.18 3i4m h ALA 261 Ca 0.76 -0.67 -0.01 0.00 0.00 0.00 0.00 54.91 54.99 3i4m h ALA 261 Cb 1.82 0.01 -0.00 0.00 0.00 0.00 0.00 17.79 19.62 3i4m h ALA 261 CO -0.69 0.73 -0.05 -0.07 0.00 0.00 0.00 179.25 179.18 3i4m h LEU 262 N 0.37 0.00 0.00 0.00 3.38 0.30 0.57 115.31 119.93 3i4m h LEU 262 Ca -0.09 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.88 3i4m h LEU 262 Cb 1.56 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.31 3i4m h LEU 262 CO 0.18 0.05 -0.02 0.74 0.09 0.00 0.00 178.44 179.48 3i4m h THR 263 N 0.00 0.00 -1.07 0.22 2.02 -0.53 -3.24 112.91 110.31 3i4m h THR 263 Ca -0.00 -0.12 0.40 0.00 0.77 0.00 0.00 66.41 67.46 3i4m h THR 263 Cb 0.14 0.00 -0.16 0.00 -1.74 0.00 0.00 68.15 66.38 3i4m h THR 263 CO 0.01 0.00 0.62 1.56 0.37 0.00 0.00 175.52 178.07 3i4m h GLN 264 N -0.12 0.09 -0.89 6.66 4.20 -1.33 0.47 115.11 124.19 3i4m h GLN 264 Ca 0.00 -0.01 -0.01 0.00 0.06 0.00 0.00 58.65 58.69 3i4m h GLN 264 Cb 0.02 -0.02 -0.04 0.00 0.30 0.00 0.00 27.48 27.73 3i4m h GLN 264 CO 0.00 0.06 0.50 1.98 -0.67 0.00 0.00 178.83 180.70 3i4m h MET 265 N 0.09 1.22 0.30 1.46 4.05 -1.02 -3.24 114.93 117.79 3i4m h MET 265 Ca 0.82 -0.13 -0.01 0.00 -0.28 0.00 0.00 59.70 60.09 3i4m h MET 265 Cb 2.20 -0.25 0.00 0.00 -0.80 0.00 0.00 31.60 32.76 3i4m h MET 265 CO -0.66 0.88 -0.14 -0.44 0.23 0.00 0.00 176.91 176.78 3i4m h ASP 266 N 1.23 -0.34 -0.77 1.39 3.32 -0.09 -3.29 116.42 117.88 3i4m h ASP 266 Ca 0.31 -0.18 0.32 0.00 0.02 0.00 0.00 57.03 57.50 3i4m h ASP 266 Cb 0.00 0.09 -0.14 0.00 0.22 0.00 0.00 39.33 39.50 3i4m h ASP 266 CO -0.05 0.12 0.39 0.00 -1.72 0.00 0.00 179.24 177.98 3i4m n GLN 267 N -5.06 -0.05 -0.46 3.56 1.13 -1.09 -4.46 117.38 110.95 3i4m n GLN 267 Ca -0.08 1.07 -0.30 0.00 -1.94 0.00 0.00 57.00 55.75 3i4m n GLN 267 Cb 0.26 -1.91 0.28 0.00 0.11 0.00 0.00 30.24 28.98 3i4m n GLN 267 CO 0.00 0.00 0.00 -0.51 -1.44 0.00 0.00 177.06 175.11 3i4m s ASP 268 N -4.65 -0.41 0.00 1.08 1.01 -1.23 -4.95 116.67 107.51 3i4m s ASP 268 Ca -0.07 1.03 0.00 0.00 0.71 0.00 0.00 52.55 54.22 3i4m s ASP 268 Cb 0.26 -1.52 0.00 0.00 1.01 0.00 0.00 42.92 42.67 3i4m s ASP 268 CO 0.60 -4.99 0.00 1.17 0.21 0.00 0.00 175.17 172.17 3i4m n LYS 269 N -5.40 0.00 0.00 8.23 0.00 -1.26 -5.09 118.16 114.65 3i4m n LYS 269 Ca 0.09 0.10 0.00 0.00 0.00 0.00 0.00 58.31 58.50 3i4m n LYS 269 Cb 0.58 -0.01 0.00 0.00 0.00 0.00 0.00 35.03 35.61 3i4m n LYS 269 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.40 178.73