#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1k5m s ASN 1930N 0.00 2.37 0.00 4.38 3.84 -1.26 -4.97 114.94 119.30 1k5m s ASN 1930Ca 0.00 -0.84 0.00 0.00 0.21 0.00 0.00 52.86 52.23 1k5m s ASN 1930Cb 0.00 0.10 0.00 0.00 -0.55 0.00 0.00 41.25 40.80 1k5m s ASN 1930CO 0.00 -0.39 0.72 0.00 -2.79 0.00 0.00 177.10 174.63 1k5m n TYR 1931N 5.29 0.00 -4.27 0.43 4.11 -1.26 -5.08 117.16 116.37 1k5m n TYR 1931Ca -0.05 0.00 -0.20 0.00 -0.00 0.00 0.00 57.90 57.65 1k5m n TYR 1931Cb 0.46 -0.01 -0.16 0.00 -0.00 0.00 0.00 39.34 39.62 1k5m n TYR 1931CO 0.00 0.00 0.00 0.71 -0.00 0.00 0.00 176.86 177.57 1k5m s TYR 1932N 0.00 0.87 0.10 -3.48 2.02 -1.26 -5.05 117.35 110.55 1k5m s TYR 1932Ca 0.00 -0.25 0.04 0.00 -0.37 0.00 0.00 57.07 56.49 1k5m s TYR 1932Cb 0.00 -0.71 -0.23 0.00 -0.40 0.00 0.00 41.96 40.62 1k5m s TYR 1932CO 0.00 -0.18 1.21 0.87 -1.57 0.00 0.00 175.55 175.88 1k5m h LYS 1933N 6.96 0.08 -5.73 -0.62 1.57 -2.02 -3.45 116.57 113.35 1k5m h LYS 1933Ca -0.36 -0.14 -0.64 0.00 -1.87 0.00 0.00 60.65 57.64 1k5m h LYS 1933Cb 1.16 0.05 -0.07 0.00 0.08 0.00 0.00 32.23 33.46 1k5m h LYS 1933CO 0.48 1.05 -0.38 -0.51 -0.57 0.00 0.00 179.45 179.52 1k5m s ASP 1934N -6.82 6.52 0.49 0.86 1.01 -1.26 -4.99 116.67 112.49 1k5m s ASP 1934Ca -0.01 0.62 0.28 0.00 0.71 0.00 0.00 52.55 54.15 1k5m s ASP 1934Cb 0.09 -2.14 1.18 0.00 1.01 0.00 0.00 42.92 43.06 1k5m s ASP 1934CO 0.84 0.35 1.93 0.00 0.21 0.00 0.00 175.17 178.49 1k5m h ALA 1935N 5.09 1.05 0.00 5.23 0.00 -2.00 -2.83 119.26 125.81 1k5m h ALA 1935Ca -0.52 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.27 1k5m h ALA 1935Cb 1.22 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.99 1k5m h ALA 1935CO 0.61 0.17 0.00 0.00 0.00 0.00 0.00 179.25 180.03 1k5m h ALA 1936N 1.87 1.00 0.00 0.00 0.00 -1.99 -2.81 119.26 117.32 1k5m h ALA 1936Ca -0.00 0.00 -0.09 0.00 0.00 0.00 0.00 54.91 54.82 1k5m h ALA 1936Cb 0.59 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.37 1k5m h ALA 1936CO 0.02 0.00 -0.41 0.77 0.00 0.00 0.00 179.25 179.63 1k5m h SER 1937N 0.00 0.00 -4.07 0.00 0.02 -1.92 -3.46 113.55 104.11 1k5m h SER 1937Ca 0.00 0.00 -0.50 0.00 -0.84 0.00 0.00 61.79 60.45 1k5m h SER 1937Cb 0.32 0.00 0.17 0.00 0.14 0.00 0.00 62.40 63.03 1k5m h SER 1937CO 0.00 0.41 0.22 0.42 -1.14 0.00 0.00 176.83 176.74 1k5m s THR 1938N -3.08 2.47 0.00 -2.27 -4.23 -1.06 -5.05 115.64 102.41 1k5m s THR 1938Ca 0.04 0.15 0.00 0.00 -1.18 0.00 0.00 61.69 60.70 1k5m s THR 1938Cb 0.08 -2.39 0.00 0.00 1.34 0.00 0.00 72.50 71.53 1k5m s THR 1938CO 0.72 -0.20 0.00 -1.54 -0.54 0.00 0.00 174.62 173.06 1k5m n SER 1939N -4.11 -0.12 -4.51 3.99 3.41 -1.26 -5.01 113.62 106.00 1k5m n SER 1939Ca 0.09 -0.57 -0.35 0.00 -0.26 0.00 0.00 58.87 57.77 1k5m n SER 1939Cb 0.53 0.00 0.08 0.00 -0.26 0.00 0.00 64.21 64.57 1k5m n SER 1939CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 1k5m n SER 1940N -1.90 -0.77 0.07 4.04 7.64 -1.26 -4.95 113.62 116.49 1k5m n SER 1940Ca 0.00 0.58 -0.05 0.00 1.01 0.00 0.00 58.87 60.40 1k5m n SER 1940Cb 0.00 -1.28 -0.09 0.00 -1.01 0.00 0.00 64.21 61.83 1k5m n SER 1940CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1k5m h ALA 1941N -0.53 0.45 0.00 -0.43 0.00 -2.03 -3.50 119.26 113.21 1k5m h ALA 1941Ca -0.46 -0.86 0.00 0.00 0.00 0.00 0.00 54.91 53.60 1k5m h ALA 1941Cb 1.33 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 19.03 1k5m h ALA 1941CO 0.43 1.14 0.00 0.41 0.00 0.00 0.00 179.25 181.23 1k5m n GLY 1942N 1.34 0.68 3.75 0.00 0.00 -1.26 -5.01 105.19 104.69 1k5m n GLY 1942Ca -0.01 -1.87 -0.37 0.00 0.00 0.00 0.00 46.02 43.77 1k5m n GLY 1942CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1k5m s GLN 1943N -2.16 3.07 0.05 1.61 0.74 -1.26 -4.96 119.66 116.75 1k5m s GLN 1943Ca 0.00 2.01 -0.14 0.00 0.05 0.00 0.00 55.36 57.27 1k5m s GLN 1943Cb 0.00 -2.10 -0.30 0.00 1.10 0.00 0.00 33.01 31.71 1k5m s GLN 1943CO 0.00 -1.17 1.09 0.77 -0.55 0.00 0.00 175.29 175.43 1k5m h SER 1944N 1.20 0.85 0.00 6.67 0.02 -2.06 -3.47 113.55 116.76 1k5m h SER 1944Ca -0.51 -0.81 0.00 0.00 -0.84 0.00 0.00 61.79 59.63 1k5m h SER 1944Cb 1.30 -0.27 0.00 0.00 0.14 0.00 0.00 62.40 63.57 1k5m h SER 1944CO 0.56 1.62 0.00 0.18 -1.14 0.00 0.00 176.83 178.05 1k5m n LEU 1945N -3.76 0.06 -2.51 5.07 4.32 -1.26 -4.81 117.00 114.11 1k5m n LEU 1945Ca -0.14 0.00 -0.32 0.00 -0.02 0.00 0.00 56.01 55.53 1k5m n LEU 1945Cb 1.01 -0.32 0.03 0.00 -1.62 0.00 0.00 43.42 42.52 1k5m n LEU 1945CO 0.58 -0.03 0.83 -1.54 -1.22 0.00 0.00 177.39 176.01 1k5m n SER 1946N 0.00 6.15 -4.57 -1.43 3.41 -1.26 -5.01 113.62 110.91 1k5m n SER 1946Ca 0.00 -3.78 -0.43 0.00 -0.26 0.00 0.00 58.87 54.41 1k5m n SER 1946Cb 0.00 -0.72 -0.03 0.00 -0.26 0.00 0.00 64.21 63.20 1k5m n SER 1946CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1k5m s MET 1947N -3.77 3.51 -0.25 4.33 0.23 -1.26 -5.00 119.30 117.09 1k5m s MET 1947Ca 0.53 0.17 0.02 0.00 -1.03 0.00 0.00 55.69 55.38 1k5m s MET 1947Cb 0.43 -3.99 0.06 0.00 -1.53 0.00 0.00 34.83 29.80 1k5m s MET 1947CO -0.19 -1.53 -0.09 0.34 -2.03 0.00 0.00 175.02 171.52 1k5m s ASP 1948N 2.76 4.16 0.00 -1.18 2.15 -1.26 -5.00 116.67 118.30 1k5m s ASP 1948Ca 0.40 -1.28 0.21 0.00 0.43 0.00 0.00 52.55 52.31 1k5m s ASP 1948Cb -0.09 -1.40 0.99 0.00 -0.30 0.00 0.00 42.92 42.12 1k5m s ASP 1948CO 0.25 -0.20 1.66 -0.81 -0.17 0.00 0.00 175.17 175.90 1k5m n PRO 1949N 4.53 0.20 -0.28 4.34 -0.04 -1.26 -4.25 135.00 138.24 1k5m n PRO 1949Ca -0.14 0.11 0.07 0.00 -0.04 0.00 0.00 63.50 63.50 1k5m n PRO 1949Cb 0.43 -1.50 0.18 0.00 -0.04 0.00 0.00 33.50 32.57 1k5m n PRO 1949CO 0.00 0.00 0.00 0.77 -0.04 0.00 0.00 175.50 176.23 1k5m h SER 1950N 0.00 -0.43 0.19 3.54 0.02 -1.95 0.31 113.55 115.23 1k5m h SER 1950Ca 0.00 0.22 0.00 0.00 -0.84 0.00 0.00 61.79 61.17 1k5m h SER 1950Cb 0.25 0.40 0.00 0.00 0.14 0.00 0.00 62.40 63.18 1k5m h SER 1950CO 0.00 -0.22 0.00 2.29 -1.14 0.00 0.00 176.83 177.76 1k5m n LYS 1951N -5.40 0.10 -0.07 3.45 2.85 -1.26 -0.66 118.16 117.17 1k5m n LYS 1951Ca 0.15 0.52 -0.11 0.00 -1.05 0.00 0.00 58.31 57.83 1k5m n LYS 1951Cb 0.53 -1.78 -0.06 0.00 -0.65 0.00 0.00 35.03 33.06 1k5m n LYS 1951CO 0.00 0.00 0.00 1.19 -0.05 0.00 0.00 177.40 178.54 1k5m n PHE 1952N -1.98 0.00 0.06 5.58 3.72 0.91 -4.41 117.46 121.35 1k5m n PHE 1952Ca 0.00 0.00 -0.12 0.00 -0.05 0.00 0.00 57.45 57.28 1k5m n PHE 1952Cb 0.07 -0.54 -0.13 0.00 -0.94 0.00 0.00 39.48 37.94 1k5m n PHE 1952CO 0.00 0.00 0.00 1.79 -0.05 0.00 0.00 176.76 178.50 1k5m h THR 1953N -0.09 1.44 -1.87 4.37 1.35 -0.93 -3.39 112.91 113.77 1k5m h THR 1953Ca -0.33 -3.11 -0.49 0.00 -0.55 0.00 0.00 66.41 61.93 1k5m h THR 1953Cb 1.46 2.81 -0.41 0.00 -1.73 0.00 0.00 68.15 70.28 1k5m h THR 1953CO -0.08 0.87 -1.04 -0.62 -0.25 0.00 0.00 175.52 174.39 1k5m n GLU 1954N -3.39 1.68 -0.71 4.72 1.02 0.16 -4.94 120.64 119.19 1k5m n GLU 1954Ca -0.08 -3.78 -0.07 0.00 -0.02 0.00 0.00 57.16 53.21 1k5m n GLU 1954Cb 1.00 -1.79 -0.01 0.00 -0.02 0.00 0.00 31.44 30.62 1k5m n GLU 1954CO 0.00 0.00 0.00 -0.35 1.18 0.00 0.00 177.13 177.96 1k5m n PRO 1955N 0.05 1.39 -3.49 3.49 -0.04 -1.22 -4.78 135.00 130.40 1k5m n PRO 1955Ca 0.25 -0.66 -0.31 0.00 -0.04 0.00 0.00 63.50 62.73 1k5m n PRO 1955Cb 0.62 -1.32 -0.05 0.00 -0.04 0.00 0.00 33.50 32.71 1k5m n PRO 1955CO 0.00 0.00 0.00 0.14 -0.04 0.00 0.00 175.50 175.60 1k5m s VAL 1956N -0.69 5.01 -0.02 0.52 -7.23 -1.26 -5.03 120.40 111.70 1k5m s VAL 1956Ca 0.18 0.29 -0.24 0.00 -1.81 0.00 0.00 61.98 60.40 1k5m s VAL 1956Cb 0.12 -3.63 -0.17 0.00 0.56 0.00 0.00 36.38 33.25 1k5m s VAL 1956CO -0.01 -0.06 1.11 0.50 -0.31 0.00 0.00 175.10 176.32 1k5m h LYS 1957N 2.53 -0.22 -6.04 4.82 3.64 -2.05 -3.43 116.57 115.82 1k5m h LYS 1957Ca -0.47 0.01 -0.56 0.00 -1.27 0.00 0.00 60.65 58.37 1k5m h LYS 1957Cb 1.17 0.05 -0.05 0.00 -0.41 0.00 0.00 32.23 32.98 1k5m h LYS 1957CO 0.70 0.19 0.03 -0.51 -2.27 0.00 0.00 179.45 177.59 1k5m s ASP 1958N -5.39 6.97 -0.05 4.20 1.01 -1.26 -5.00 116.67 117.15 1k5m s ASP 1958Ca -0.14 1.16 -0.34 0.00 0.71 0.00 0.00 52.55 53.94 1k5m s ASP 1958Cb 0.01 -2.39 -0.12 0.00 1.01 0.00 0.00 42.92 41.44 1k5m s ASP 1958CO 0.55 -0.01 1.83 -0.11 0.21 0.00 0.00 175.17 177.65 1k5m n LEU 1959N 3.29 3.40 -4.37 1.23 7.94 -1.26 -4.96 117.00 122.26 1k5m n LEU 1959Ca -0.04 0.99 -0.39 0.00 -1.11 0.00 0.00 56.01 55.46 1k5m n LEU 1959Cb 0.51 -1.38 -0.12 0.00 0.53 0.00 0.00 43.42 42.96 1k5m n LEU 1959CO 0.45 -0.09 -0.20 -0.04 -1.11 0.00 0.00 177.39 176.40 1k5m s MET 1960N 3.55 2.98 0.01 1.96 -1.94 -1.26 -5.08 119.30 119.52 1k5m s MET 1960Ca 0.90 -0.96 -0.17 0.00 -1.71 0.00 0.00 55.69 53.75 1k5m s MET 1960Cb -0.69 -3.59 -0.06 0.00 2.01 0.00 0.00 34.83 32.51 1k5m s MET 1960CO 0.49 -0.57 0.49 -0.51 -0.01 0.00 0.00 175.02 174.90 1k5m s LEU 1961N 1.54 4.47 -0.00 -0.03 1.02 -1.26 -5.04 118.68 119.37 1k5m s LEU 1961Ca 0.02 1.07 -0.30 0.00 0.02 0.00 0.00 54.13 54.94 1k5m s LEU 1961Cb -0.18 -2.73 -0.05 0.00 0.02 0.00 0.00 46.19 43.24 1k5m s LEU 1961CO 0.05 0.26 1.34 -0.75 0.02 0.00 0.00 176.35 177.27 1k5m s LYS 1962N -0.83 4.31 0.00 1.70 2.20 -1.26 -2.63 119.74 123.22 1k5m s LYS 1962Ca 0.26 1.89 0.00 0.00 -0.36 0.00 0.00 55.97 57.77 1k5m s LYS 1962Cb -0.18 -3.54 0.00 0.00 -1.51 0.00 0.00 37.83 32.60 1k5m s LYS 1962CO 0.15 -0.52 0.00 0.41 -0.36 0.00 0.00 175.35 175.03 1k5m n GLY 1963N 3.55 2.50 3.84 5.54 0.00 -1.26 -5.06 105.19 114.30 1k5m n GLY 1963Ca 0.12 -0.56 -0.32 0.00 0.00 0.00 0.00 46.02 45.26 1k5m n GLY 1963CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1k5m s ALA 1964N -1.19 3.08 0.20 4.61 0.00 -1.08 -5.00 121.76 122.39 1k5m s ALA 1964Ca 0.00 0.19 -0.32 0.00 0.00 0.00 0.00 51.96 51.83 1k5m s ALA 1964Cb 0.00 -3.09 -0.11 0.00 0.00 0.00 0.00 23.12 19.92 1k5m s ALA 1964CO 0.00 -0.15 1.66 -1.25 0.00 0.00 0.00 175.76 176.01 1k5m s PRO 1965N -3.90 4.16 0.18 0.00 0.04 -1.26 -4.84 135.00 129.38 1k5m s PRO 1965Ca 0.59 2.52 -0.17 0.00 0.04 0.00 0.00 61.00 63.98 1k5m s PRO 1965Cb -0.10 -3.10 0.13 0.00 0.04 0.00 0.00 34.50 31.48 1k5m s PRO 1965CO 0.28 -0.69 1.65 0.00 0.04 0.00 0.00 177.00 178.28 1k5m h ALA 1966N 6.59 0.26 -3.17 8.56 0.00 -1.94 -3.38 119.26 126.17 1k5m h ALA 1966Ca -0.43 0.18 -0.59 0.00 0.00 0.00 0.00 54.91 54.07 1k5m h ALA 1966Cb 1.20 0.40 -0.36 0.00 0.00 0.00 0.00 17.79 19.04 1k5m h ALA 1966CO 0.93 -0.48 -0.83 -0.51 0.00 0.00 0.00 179.25 178.36 1k5m s LEU 1967N -10.69 1.62 0.00 0.00 1.43 -1.26 -5.03 118.68 104.74 1k5m s LEU 1967Ca -0.14 -0.44 0.13 0.00 -1.03 0.00 0.00 54.13 52.65 1k5m s LEU 1967Cb 0.16 -1.10 0.77 0.00 0.03 0.00 0.00 46.19 46.05 1k5m s LEU 1967CO 0.71 -0.04 1.20 0.59 0.23 0.00 0.00 176.35 179.04